*HEADER    PROTEIN BINDING                         19-JUL-00   1FD6              
*TITLE     DELTA0: A COMPUTATIONALLY DESIGNED CORE VARIANT OF THE B1             
*TITLE    2 DOMAIN OF STREPTOCOCCAL PROTEIN G                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: IMMUNOGLOBULIN G BINDING PROTEIN G;                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: GB1_DELT0;                                                 
*COMPND   5 SYNONYM: IGG BINDING PROTEIN G;                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP.;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    STREPTOCOCCAL PROTEIN G, PROTEIN DESIGN, BACKBONE DESIGN,             
*KEYWDS   2 CORE SIDECHAIN PACKING                                               
*EXPDTA    NMR, 40 STRUCTURES                                                    
*AUTHOR    S.A.ROSS, C.A.SARISKY, A.SU, S.L.MAYO                                 
*REVDAT   1   19-SEP-01 1FD6    0                                                

! ANSIG v3.3 XPLOR distance restraints file
! No distance corrections applied.
! Trivial distances not output.

! residue 1    Met , intraresidue NOEs

! residue 1    Met , NOEs forward in sequence
assi (resi 1    and name HA   )  (resi 2    and name HN   )   2.50  0.70  0.20
assi (resi 1    and name HB#  )  (resi 2    and name HN   )   4.00  2.20  1.00
assi (resi 1    and name HB#  )  (resi 21   and name HN   )   4.00  2.20  1.00

! residue 2    Thr , intraresidue NOEs
! trivial: assi (resi 2    and name HN   )  (resi 2    and name HA   )   4.00  2.20  1.00
assi (resi 2    and name HN   )  (resi 2    and name HB   )   4.00  2.20  1.00
assi (resi 2    and name HN   )  (resi 2    and name HG2# )   4.00  2.20 1.5
assi (resi 2    and name HA   )  (resi 2    and name HB   )   3.00  1.20  0.30
assi (resi 2    and name HA   )  (resi 2    and name HG2# )   3.00  1.20 0.8
! trivial: assi (resi 2    and name HB   )  (resi 2    and name HG2# )   2.50  0.70  0.20

! residue 2    Thr , NOEs forward in sequence
assi (resi 2    and name HA   )  (resi 3    and name HN   )   2.50  0.70  0.20
assi (resi 2    and name HG2# )  (resi 3    and name HN   )   3.00  1.20 0.8
assi (resi 2    and name HB   )  (resi 4    and name HZ   )   4.00  2.20  1.00
assi (resi 2    and name HG2# )  (resi 4    and name HB2  )   4.00  2.20 1.5
assi (resi 2    and name HG2# )  (resi 4    and name HZ   )   3.00  1.20 0.8
assi (resi 2    and name HN   )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 2    and name HB   )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 2    and name HN   )  (resi 22   and name HN   )   4.00  2.20  1.00
assi (resi 2    and name HG2# )  (resi 23   and name HB#  )   4.00  2.20 1.5
assi (resi 2    and name HG2# )  (resi 51   and name HD#  )   4.00  2.20 1.5

! residue 3    Thr , intraresidue NOEs
assi (resi 3    and name HN   )  (resi 3    and name HA   )   2.50  0.70  0.20
assi (resi 3    and name HN   )  (resi 3    and name HB   )   2.50  0.70  0.20
assi (resi 3    and name HN   )  (resi 3    and name HG2# )   4.00  2.20 1.5

! residue 3    Thr , NOEs forward in sequence
assi (resi 3    and name HA   )  (resi 4    and name HN   )   2.50  0.70  0.20
assi (resi 3    and name HG2# )  (resi 4    and name HN   )   4.00  2.20 1.5
assi (resi 3    and name HA   )  (resi 20   and name HA   )   3.00  1.20  0.30

! residue 4    Phe , intraresidue NOEs
assi (resi 4    and name HN   )  (resi 4    and name HA   )   3.00  1.20  0.30
assi (resi 4    and name HN   )  (resi 4    and name HB1  )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 4    and name HB2  )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 4    and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HA   )  (resi 4    and name HB1  )   3.00  1.20  0.30
assi (resi 4    and name HA   )  (resi 4    and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HB1  )  (resi 4    and name HD#  )   3.00  1.20  0.30
assi (resi 4    and name HB2  )  (resi 4    and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 4    and name HZ   )  (resi 4    and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 4    and name HZ   )  (resi 4    and name HE#  )   2.50  0.70  0.20

! residue 4    Phe , NOEs forward in sequence
assi (resi 4    and name HA   )  (resi 5    and name HN   )   2.50  0.70  0.20
assi (resi 4    and name HB1  )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HB2  )  (resi 5    and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HN   )  (resi 19   and name HG2# )   4.00  2.20 1.5
assi (resi 4    and name HB2  )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HB2  )  (resi 19   and name HG2# )   4.00  2.20 1.5
assi (resi 4    and name HZ   )  (resi 21   and name HB#  )   4.00  2.20 1.5
assi (resi 4    and name HD#  )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HD#  )  (resi 21   and name HB#  )   2.50  0.70 0.7
assi (resi 4    and name HE#  )  (resi 21   and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HZ   )  (resi 23   and name HA   )   3.00  1.20  0.30
assi (resi 4    and name HZ   )  (resi 24   and name HN   )   4.00  2.20  1.00
assi (resi 4    and name HB1  )  (resi 27   and name HB#  )   4.00  2.20 1.5
assi (resi 4    and name HB2  )  (resi 27   and name HB#  )   4.00  2.20 1.5
assi (resi 4    and name HB1  )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 4    and name HB1  )  (resi 31   and name HE#  )   3.00  1.20  0.30
assi (resi 4    and name HB2  )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 4    and name HB2  )  (resi 31   and name HE#  )   3.00  1.20  0.30
assi (resi 4    and name HD#  )  (resi 46   and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HE#  )  (resi 51   and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HB1  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HB2  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 4    and name HB2  )  (resi 53   and name HE#  )   3.00  1.20  0.30

! residue 5    Lys , intraresidue NOEs
! trivial: assi (resi 5    and name HN   )  (resi 5    and name HA   )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 5    and name HB#  )   4.00  2.20  1.00
assi (resi 5    and name HA   )  (resi 5    and name HB#  )   3.00  1.20  0.30

! residue 5    Lys , NOEs forward in sequence
assi (resi 5    and name HA   )  (resi 6    and name HN   )   2.50  0.70  0.20
assi (resi 5    and name HB#  )  (resi 6    and name HN   )   4.00  2.20  1.00
assi (resi 5    and name HG#  )  (resi 17   and name HN   )   4.00  2.20  1.00
assi (resi 5    and name HA   )  (resi 18   and name HA   )   3.00  1.20  0.30
assi (resi 5    and name HA   )  (resi 18   and name HG2# )   3.00  1.20 0.8
assi (resi 5    and name HA   )  (resi 19   and name HN   )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 5    and name HA   )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 5    and name HN   )  (resi 52   and name HA   )   4.00  2.20  1.00
assi (resi 5    and name HB#  )  (resi 52   and name HA   )   4.00  2.20  1.00

! residue 6    Leu , intraresidue NOEs
! trivial: assi (resi 6    and name HN   )  (resi 6    and name HA   )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 6    and name HB1  )   2.50  0.70  0.20
assi (resi 6    and name HN   )  (resi 6    and name HB2  )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 6    and name HD#  )   4.00  2.20 1.5
! trivial: assi (resi 6    and name HA   )  (resi 6    and name HB2  )   4.00  2.20  1.00
assi (resi 6    and name HA   )  (resi 6    and name HD#  )   3.00  1.20 0.8
! trivial: assi (resi 6    and name HB1  )  (resi 6    and name HB2  )   2.50  0.70  0.20
assi (resi 6    and name HB2  )  (resi 6    and name HD#  )   4.00  2.20 1.5

! residue 6    Leu , NOEs forward in sequence
assi (resi 6    and name HA   )  (resi 7    and name HN   )   2.50  0.70  0.20
assi (resi 6    and name HD#  )  (resi 7    and name HN   )   3.00  1.20 0.8
assi (resi 6    and name HD#  )  (resi 8    and name HG1# )   4.00  2.20 1.5
assi (resi 6    and name HB1  )  (resi 17   and name HN   )   4.00  2.20  1.00
assi (resi 6    and name HN   )  (resi 18   and name HA   )   4.00  2.20  1.00
assi (resi 6    and name HB2  )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 6    and name HB2  )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 6    and name HB2  )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 6    and name HD#  )  (resi 31   and name HB1  )   2.50  0.70 0.7
assi (resi 6    and name HD#  )  (resi 31   and name HB2  )   4.00  2.20 1.5
assi (resi 6    and name HD#  )  (resi 31   and name HD#  )   3.00  1.20 0.8
assi (resi 6    and name HB1  )  (resi 34   and name HE#  )   4.00  2.20  1.00
assi (resi 6    and name HD#  )  (resi 34   and name HD#  )   3.00  1.20 0.8
assi (resi 6    and name HD#  )  (resi 34   and name HE#  )   2.50  0.70 0.7
assi (resi 6    and name HD#  )  (resi 35   and name HB#  )   3.00  1.20 1.3
assi (resi 6    and name HD#  )  (resi 44   and name HE3  )   4.00  2.20 1.5
assi (resi 6    and name HD#  )  (resi 44   and name HZ3  )   2.50  0.70 0.7
assi (resi 6    and name HD#  )  (resi 44   and name HH2  )   3.00  1.20 0.8
assi (resi 6    and name HA   )  (resi 53   and name HN   )   4.00  2.20  1.00
assi (resi 6    and name HD#  )  (resi 53   and name HB#  )   3.00  1.20 0.8
assi (resi 6    and name HD#  )  (resi 53   and name HD#  )   4.00  2.20 1.5
assi (resi 6    and name HD#  )  (resi 54   and name HA   )   4.00  2.20 1.5
assi (resi 6    and name HD#  )  (resi 55   and name HN   )   3.00  1.20 0.8
assi (resi 6    and name HD#  )  (resi 55   and name HB   )   3.00  1.20 0.8

! residue 7    Ile , intraresidue NOEs
! trivial: assi (resi 7    and name HN   )  (resi 7    and name HA   )   4.00  2.20  1.00
assi (resi 7    and name HN   )  (resi 7    and name HB   )   3.00  1.20  0.30
assi (resi 7    and name HN   )  (resi 7    and name HD1# )   4.00  2.20 1.5
assi (resi 7    and name HN   )  (resi 7    and name HG1# )   4.00  2.20  1.00
assi (resi 7    and name HA   )  (resi 7    and name HG1# )   3.00  1.20  0.30
assi (resi 7    and name HB   )  (resi 7    and name HG1# )   2.50  0.70  0.20
! trivial: assi (resi 7    and name HD1# )  (resi 7    and name HG1# )   2.50  0.70  0.20

! residue 7    Ile , NOEs forward in sequence
assi (resi 7    and name HA   )  (resi 8    and name HN   )   2.50  0.70  0.20
assi (resi 7    and name HG1# )  (resi 9    and name HD21 )   4.00  2.20  1.00
assi (resi 7    and name HG1# )  (resi 9    and name HD22 )   4.00  2.20  1.00
assi (resi 7    and name HG1# )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 7    and name HA   )  (resi 16   and name HA   )   3.00  1.20  0.30
assi (resi 7    and name HN   )  (resi 52   and name HG2# )   4.00  2.20 1.5
assi (resi 7    and name HD1# )  (resi 52   and name HG2# )   3.00  1.20 1.3
assi (resi 7    and name HN   )  (resi 54   and name HA   )   3.00  1.20  0.30
assi (resi 7    and name HN   )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 7    and name HN   )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 7    and name HB   )  (resi 54   and name HA   )   2.50  0.70  0.20
assi (resi 7    and name HB   )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 7    and name HB   )  (resi 54   and name HG2# )   4.00  2.20 1.5

! residue 8    Ile , intraresidue NOEs
! trivial: assi (resi 8    and name HN   )  (resi 8    and name HA   )   4.00  2.20  1.00
assi (resi 8    and name HN   )  (resi 8    and name HB   )   3.00  1.20  0.30
assi (resi 8    and name HN   )  (resi 8    and name HG2# )   4.00  2.20 1.5
assi (resi 8    and name HN   )  (resi 8    and name HD1# )   4.00  2.20 1.5
assi (resi 8    and name HN   )  (resi 8    and name HG1# )   4.00  2.20  1.00
assi (resi 8    and name HA   )  (resi 8    and name HG2# )   2.50  0.70 0.7
! trivial: assi (resi 8    and name HB   )  (resi 8    and name HG2# )   2.50  0.70  0.20

! residue 8    Ile , NOEs forward in sequence
assi (resi 8    and name HA   )  (resi 9    and name HN   )   2.50  0.70  0.20
assi (resi 8    and name HG2# )  (resi 9    and name HN   )   4.00  2.20 1.5
assi (resi 8    and name HG2# )  (resi 10   and name HN   )   4.00  2.20 1.5
assi (resi 8    and name HG2# )  (resi 14   and name HA   )   4.00  2.20 1.5
assi (resi 8    and name HN   )  (resi 15   and name HN   )   3.00  1.20  0.30
assi (resi 8    and name HB   )  (resi 15   and name HN   )   2.50  0.70  0.20
assi (resi 8    and name HG2# )  (resi 15   and name HN   )   4.00  2.20 1.5
assi (resi 8    and name HG1# )  (resi 15   and name HN   )   4.00  2.20  1.00
assi (resi 8    and name HN   )  (resi 16   and name HA   )   4.00  2.20  1.00
assi (resi 8    and name HD1# )  (resi 34   and name HE#  )   4.00  2.20 1.5
assi (resi 8    and name HA   )  (resi 55   and name HG1# )   3.00  1.20 0.8
assi (resi 8    and name HA   )  (resi 55   and name HG1# )   3.00  1.20 0.8

! residue 9    Asn , intraresidue NOEs
! trivial: assi (resi 9    and name HN   )  (resi 9    and name HA   )   4.00  2.20  1.00
assi (resi 9    and name HN   )  (resi 9    and name HB1  )   4.00  2.20  1.00
assi (resi 9    and name HN   )  (resi 9    and name HB2  )   4.00  2.20  1.00
! trivial: assi (resi 9    and name HA   )  (resi 9    and name HB1  )   4.00  2.20  1.00
! trivial: assi (resi 9    and name HA   )  (resi 9    and name HB2  )   4.00  2.20  1.00
! trivial: assi (resi 9    and name HB1  )  (resi 9    and name HB2  )   2.50  0.70  0.20
assi (resi 9    and name HB1  )  (resi 9    and name HD21 )   4.00  2.20  1.00
assi (resi 9    and name HB1  )  (resi 9    and name HD22 )   4.00  2.20  1.00
assi (resi 9    and name HB2  )  (resi 9    and name HD21 )   4.00  2.20  1.00
assi (resi 9    and name HB2  )  (resi 9    and name HD22 )   4.00  2.20  1.00
! trivial: assi (resi 9    and name HD21 )  (resi 9    and name HD22 )   2.50  0.70  0.20

! residue 9    Asn , NOEs forward in sequence
assi (resi 9    and name HN   )  (resi 10   and name HN   )   4.00  2.20  2.00
assi (resi 9    and name HA   )  (resi 10   and name HN   )   2.50  0.70  0.20
assi (resi 9    and name HA   )  (resi 14   and name HG#  )   4.00  2.20  1.00
assi (resi 9    and name HD21 )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 9    and name HD21 )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 9    and name HD22 )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 9    and name HD22 )  (resi 54   and name HG2# )   4.00  2.20 1.5
assi (resi 9    and name HN   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 9    and name HN   )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 9    and name HN   )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 9    and name HD21 )  (resi 56   and name HG2# )   4.00  2.20 1.5
assi (resi 9    and name HD22 )  (resi 56   and name HG2# )   4.00  2.20 1.5
assi (resi 9    and name HB2  )  (resi 57   and name HN   )   4.00  2.20  1.00

! residue 10   Gly , intraresidue NOEs
assi (resi 10   and name HN   )  (resi 10   and name HA1  )   3.00  1.20  0.30

! residue 10   Gly , NOEs forward in sequence
assi (resi 10   and name HA2  )  (resi 11   and name HN   )   3.00  1.20  0.30
assi (resi 10   and name HA1  )  (resi 13   and name HN   )   3.00  1.20  0.30
assi (resi 10   and name HN   )  (resi 14   and name HA   )   4.00  2.20  1.00
assi (resi 10   and name HN   )  (resi 14   and name HG#  )   4.00  2.20  1.00
assi (resi 10   and name HA1  )  (resi 40   and name HG2# )   3.00  1.20 0.8
assi (resi 10   and name HA2  )  (resi 57   and name HN   )   3.00  1.20  0.30
assi (resi 10   and name HA2  )  (resi 57   and name HG#  )   4.00  2.20  2.00

! residue 11   Lys , intraresidue NOEs
assi (resi 11   and name HN   )  (resi 11   and name HA   )   3.00  1.20  0.30
assi (resi 11   and name HN   )  (resi 11   and name HB#  )   3.00  1.20  0.30
assi (resi 11   and name HN   )  (resi 11   and name HG#  )   4.00  2.20  1.00
assi (resi 11   and name HA   )  (resi 11   and name HB#  )   2.50  0.70  0.20

! residue 11   Lys , NOEs forward in sequence
assi (resi 11   and name HN   )  (resi 12   and name HN   )   4.00  2.20  1.00
assi (resi 11   and name HB#  )  (resi 12   and name HN   )   4.00  2.20  1.00
assi (resi 11   and name HN   )  (resi 57   and name HB#  )   4.00  2.20  1.00
assi (resi 11   and name HN   )  (resi 57   and name HG#  )   4.00  2.20  1.00

! residue 12   Thr , intraresidue NOEs
assi (resi 12   and name HN   )  (resi 12   and name HA   )   3.00  1.20  0.30
assi (resi 12   and name HN   )  (resi 12   and name HB   )   2.50  0.70  0.20
assi (resi 12   and name HN   )  (resi 12   and name HG2# )   4.00  2.20 1.5
assi (resi 12   and name HA   )  (resi 12   and name HG2# )   3.00  1.20 0.8

! residue 12   Thr , NOEs forward in sequence
assi (resi 12   and name HN   )  (resi 13   and name HN   )   2.50  0.70  0.20
assi (resi 12   and name HA   )  (resi 13   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HB   )  (resi 13   and name HN   )   4.00  2.20  1.00
assi (resi 12   and name HN   )  (resi 40   and name HD1# )   4.00  2.20 1.5

! residue 13   Leu , intraresidue NOEs
assi (resi 13   and name HN   )  (resi 13   and name HG   )   4.00  2.20  1.00
assi (resi 13   and name HN   )  (resi 13   and name HB#  )   3.00  1.20  0.30
assi (resi 13   and name HN   )  (resi 13   and name HD#  )   4.00  2.20 1.5
assi (resi 13   and name HA   )  (resi 13   and name HG   )   3.00  1.20  0.30
assi (resi 13   and name HA   )  (resi 13   and name HD#  )   4.00  2.20 1.5

! residue 13   Leu , NOEs forward in sequence
assi (resi 13   and name HA   )  (resi 14   and name HN   )   2.50  0.70  0.20
assi (resi 13   and name HD#  )  (resi 14   and name HN   )   4.00  2.20 1.5
assi (resi 13   and name HD#  )  (resi 38   and name HB1  )   4.00  2.20 1.5

! residue 14   Lys , intraresidue NOEs
! trivial: assi (resi 14   and name HN   )  (resi 14   and name HA   )   4.00  2.20  1.00
assi (resi 14   and name HN   )  (resi 14   and name HB#  )   3.00  1.20  0.30
assi (resi 14   and name HN   )  (resi 14   and name HG#  )   4.00  2.20  1.00
! trivial: assi (resi 14   and name HA   )  (resi 14   and name HB#  )   4.00  2.20  1.00

! residue 14   Lys , NOEs forward in sequence
assi (resi 14   and name HA   )  (resi 15   and name HN   )   2.50  0.70  0.20

! residue 15   Gly , intraresidue NOEs
assi (resi 15   and name HN   )  (resi 15   and name HA#  )   2.50  0.70  0.20

! residue 15   Gly , NOEs forward in sequence
assi (resi 15   and name HA#  )  (resi 16   and name HN   )   2.50  0.70  0.20

! residue 16   Glu , intraresidue NOEs
! trivial: assi (resi 16   and name HN   )  (resi 16   and name HA   )   4.00  2.20  1.00
assi (resi 16   and name HN   )  (resi 16   and name HG#  )   4.00  2.20  1.00
assi (resi 16   and name HA   )  (resi 16   and name HB#  )   3.00  1.20  0.30
assi (resi 16   and name HA   )  (resi 16   and name HG#  )   4.00  2.20  1.00

! residue 16   Glu , NOEs forward in sequence
assi (resi 16   and name HA   )  (resi 17   and name HN   )   2.50  0.70  0.20
assi (resi 16   and name HB#  )  (resi 17   and name HN   )   4.00  2.20  1.00

! residue 17   Thr , intraresidue NOEs
assi (resi 17   and name HN   )  (resi 17   and name HA   )   3.00  1.20  0.30
assi (resi 17   and name HN   )  (resi 17   and name HB   )   4.00  2.20  1.00
assi (resi 17   and name HN   )  (resi 17   and name HG2# )   4.00  2.20 1.5

! residue 17   Thr , NOEs forward in sequence
assi (resi 17   and name HA   )  (resi 18   and name HN   )   2.50  0.70  0.20
assi (resi 17   and name HA   )  (resi 18   and name HA   )   4.00  2.20  1.00
assi (resi 17   and name HG2# )  (resi 31   and name HE#  )   3.00  1.20 0.8
assi (resi 17   and name HB   )  (resi 34   and name HE#  )   4.00  2.20  1.00
assi (resi 17   and name HG2# )  (resi 34   and name HD#  )   4.00  2.20 1.5

! residue 18   Thr , intraresidue NOEs
! trivial: assi (resi 18   and name HN   )  (resi 18   and name HA   )   4.00  2.20  1.00
assi (resi 18   and name HN   )  (resi 18   and name HG2# )   3.00  1.20 0.8
assi (resi 18   and name HA   )  (resi 18   and name HB   )   2.50  0.70  0.20
assi (resi 18   and name HA   )  (resi 18   and name HG2# )   3.00  1.20 0.8
! trivial: assi (resi 18   and name HB   )  (resi 18   and name HG2# )   2.50  0.70  0.20

! residue 18   Thr , NOEs forward in sequence
assi (resi 18   and name HA   )  (resi 19   and name HN   )   2.50  0.70  0.20
assi (resi 18   and name HA   )  (resi 19   and name HG2# )   4.00  2.20 1.5
assi (resi 18   and name HB   )  (resi 19   and name HN   )   3.00  1.20  0.30
assi (resi 18   and name HA   )  (resi 31   and name HZ   )   3.00  1.20  0.30
assi (resi 18   and name HA   )  (resi 31   and name HE#  )   4.00  2.20  1.00

! residue 19   Thr , intraresidue NOEs
! trivial: assi (resi 19   and name HN   )  (resi 19   and name HA   )   4.00  2.20  1.00
assi (resi 19   and name HN   )  (resi 19   and name HB   )   4.00  2.20  1.00
assi (resi 19   and name HN   )  (resi 19   and name HG2# )   3.00  1.20 0.8
assi (resi 19   and name HA   )  (resi 19   and name HB   )   3.00  1.20  0.30
assi (resi 19   and name HA   )  (resi 19   and name HG2# )   4.00  2.20 1.5
! trivial: assi (resi 19   and name HB   )  (resi 19   and name HG2# )   2.50  0.70  0.20

! residue 19   Thr , NOEs forward in sequence
assi (resi 19   and name HN   )  (resi 20   and name HN   )   4.00  2.20  2.00
assi (resi 19   and name HA   )  (resi 20   and name HN   )   2.50  0.70  0.20
assi (resi 19   and name HB   )  (resi 20   and name HN   )   4.00  2.20  1.00
assi (resi 19   and name HG2# )  (resi 20   and name HN   )   4.00  2.20 1.5
assi (resi 19   and name HG2# )  (resi 21   and name HB#  )   3.00  1.20 1.3
assi (resi 19   and name HG2# )  (resi 27   and name HA   )   3.00  1.20 0.8
assi (resi 19   and name HN   )  (resi 31   and name HZ   )   4.00  2.20  1.00
assi (resi 19   and name HN   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 19   and name HB   )  (resi 31   and name HE#  )   4.00  2.20  1.00
assi (resi 19   and name HG2# )  (resi 31   and name HN   )   4.00  2.20 1.5
assi (resi 19   and name HG2# )  (resi 31   and name HZ   )   3.00  1.20 0.8
assi (resi 19   and name HG2# )  (resi 31   and name HE#  )   2.50  0.70 0.7

! residue 20   Glu , intraresidue NOEs
! trivial: assi (resi 20   and name HN   )  (resi 20   and name HA   )   4.00  2.20  1.00
assi (resi 20   and name HN   )  (resi 20   and name HB#  )   3.00  1.20  0.30
assi (resi 20   and name HN   )  (resi 20   and name HG#  )   4.00  2.20  1.00
assi (resi 20   and name HA   )  (resi 20   and name HB#  )   3.00  1.20  0.30
assi (resi 20   and name HA   )  (resi 20   and name HG#  )   4.00  2.20  1.00

! residue 20   Glu , NOEs forward in sequence
assi (resi 20   and name HA   )  (resi 21   and name HN   )   2.50  0.70  0.20
assi (resi 20   and name HB#  )  (resi 21   and name HN   )   4.00  2.20  1.00

! residue 21   Ala , intraresidue NOEs
! trivial: assi (resi 21   and name HN   )  (resi 21   and name HA   )   4.00  2.20  1.00
assi (resi 21   and name HN   )  (resi 21   and name HB#  )   4.00  2.20 1.5
! trivial: assi (resi 21   and name HA   )  (resi 21   and name HB#  )   2.50  0.70  0.20

! residue 21   Ala , NOEs forward in sequence
assi (resi 21   and name HN   )  (resi 22   and name HA   )   4.00  2.20  1.00
assi (resi 21   and name HA   )  (resi 22   and name HN   )   2.50  0.70  0.20
assi (resi 21   and name HB#  )  (resi 22   and name HN   )   3.00  1.20 0.8
assi (resi 21   and name HB#  )  (resi 23   and name HN   )   3.00  1.20 0.8
assi (resi 21   and name HB#  )  (resi 26   and name HB   )   3.00  1.20 0.8
assi (resi 21   and name HB#  )  (resi 27   and name HN   )   4.00  2.20 1.5
assi (resi 21   and name HB#  )  (resi 27   and name HB#  )   3.00  1.20 1.3

! residue 22   Val , intraresidue NOEs
assi (resi 22   and name HN   )  (resi 22   and name HA   )   3.00  1.20  0.30
assi (resi 22   and name HN   )  (resi 22   and name HB   )   3.00  1.20  0.30
assi (resi 22   and name HN   )  (resi 22   and name HG#  )   2.50  0.70 0.7
assi (resi 22   and name HA   )  (resi 22   and name HB   )   2.50  0.70  0.20
assi (resi 22   and name HA   )  (resi 22   and name HG#  )   2.50  0.70 0.7

! residue 22   Val , NOEs forward in sequence
assi (resi 22   and name HN   )  (resi 23   and name HN   )   3.00  1.20  0.30
assi (resi 22   and name HB   )  (resi 23   and name HN   )   4.00  2.20  1.00
assi (resi 22   and name HG#  )  (resi 23   and name HN   )   3.00  1.20 0.8
assi (resi 22   and name HN   )  (resi 26   and name HG2# )   4.00  2.20 1.5

! residue 23   Asp , intraresidue NOEs
assi (resi 23   and name HN   )  (resi 23   and name HB#  )   4.00  2.20  1.00

! residue 23   Asp , NOEs forward in sequence
assi (resi 23   and name HA   )  (resi 24   and name HN   )   3.00  1.20  0.30
assi (resi 23   and name HB#  )  (resi 24   and name HN   )   3.00  1.20  0.30
assi (resi 23   and name HB#  )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 23   and name HN   )  (resi 26   and name HB   )   3.00  1.20  0.30

! residue 24   Ala , intraresidue NOEs
assi (resi 24   and name HN   )  (resi 24   and name HA   )   2.50  0.70  0.20
assi (resi 24   and name HN   )  (resi 24   and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 24   and name HA   )  (resi 24   and name HB#  )   2.50  0.70  0.20

! residue 24   Ala , NOEs forward in sequence
assi (resi 24   and name HN   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HA   )  (resi 25   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HB#  )  (resi 25   and name HN   )   3.00  1.20 0.8
assi (resi 24   and name HA   )  (resi 27   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HA   )  (resi 27   and name HB#  )   2.50  0.70 0.7
assi (resi 24   and name HA   )  (resi 28   and name HN   )   4.00  2.20  1.00
assi (resi 24   and name HB#  )  (resi 46   and name HD#  )   4.00  2.20 1.5
assi (resi 24   and name HA   )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 24   and name HB#  )  (resi 53   and name HZ   )   3.00  1.20 0.8

! residue 25   Ala , intraresidue NOEs
assi (resi 25   and name HN   )  (resi 25   and name HA   )   3.00  1.20  0.30
assi (resi 25   and name HN   )  (resi 25   and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 25   and name HA   )  (resi 25   and name HB#  )   2.50  0.70  0.20

! residue 25   Ala , NOEs forward in sequence
assi (resi 25   and name HB#  )  (resi 26   and name HN   )   3.00  1.20 0.8

! residue 26   Thr , intraresidue NOEs
! trivial: assi (resi 26   and name HN   )  (resi 26   and name HA   )   4.00  2.20  1.00
assi (resi 26   and name HN   )  (resi 26   and name HB   )   3.00  1.20  0.30
! trivial: assi (resi 26   and name HA   )  (resi 26   and name HB   )   4.00  2.20  1.00
assi (resi 26   and name HA   )  (resi 26   and name HG2# )   2.50  0.70 0.7
! trivial: assi (resi 26   and name HB   )  (resi 26   and name HG2# )   2.50  0.70  0.20

! residue 26   Thr , NOEs forward in sequence
assi (resi 26   and name HN   )  (resi 27   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HN   )  (resi 27   and name HB#  )   4.00  2.20 1.5
assi (resi 26   and name HA   )  (resi 27   and name HN   )   4.00  2.20  1.00
assi (resi 26   and name HB   )  (resi 27   and name HN   )   3.00  1.20  0.30
assi (resi 26   and name HG2# )  (resi 27   and name HN   )   4.00  2.20 1.5
assi (resi 26   and name HA   )  (resi 29   and name HD#  )   3.00  1.20  0.30
assi (resi 26   and name HG2# )  (resi 30   and name HN   )   4.00  2.20 1.5

! residue 27   Ala , intraresidue NOEs
assi (resi 27   and name HN   )  (resi 27   and name HA   )   3.00  1.20  0.30
assi (resi 27   and name HN   )  (resi 27   and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 27   and name HA   )  (resi 27   and name HB#  )   2.50  0.70  0.20

! residue 27   Ala , NOEs forward in sequence
assi (resi 27   and name HN   )  (resi 28   and name HN   )   4.00  2.20  1.00
assi (resi 27   and name HA   )  (resi 28   and name HN   )   4.00  2.20  1.00
assi (resi 27   and name HA   )  (resi 30   and name HG2# )   4.00  2.20 1.5
assi (resi 27   and name HA   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 27   and name HB#  )  (resi 31   and name HD#  )   4.00  2.20 1.5
assi (resi 27   and name HB#  )  (resi 53   and name HZ   )   4.00  2.20 1.5
assi (resi 27   and name HB#  )  (resi 53   and name HD#  )   4.00  2.20 1.5
assi (resi 27   and name HB#  )  (resi 53   and name HE#  )   3.00  1.20 0.8

! residue 28   Glu , intraresidue NOEs
! trivial: assi (resi 28   and name HN   )  (resi 28   and name HA   )   4.00  2.20  1.00
assi (resi 28   and name HN  ) (resi 28   and name HB# )  3.0   1.2   0.3 
assi (resi 28   and name HN   )  (resi 28   and name HG#  )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 28   and name HG#  )   3.00  1.20  0.30

! residue 28   Glu , NOEs forward in sequence
assi (resi 28   and name HN   )  (resi 29   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 29   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HB#  )  (resi 29   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HN   )  (resi 30   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 31   and name HB1  )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 32   and name HA   )   4.00  2.20  1.00
assi (resi 28   and name HG#  )  (resi 44   and name HZ3  )   4.00  2.20  1.00
assi (resi 28   and name HN   )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 28   and name HN   )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 53   and name HZ   )   4.00  2.20  1.00
assi (resi 28   and name HA   )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 28   and name HB#  )  (resi 53   and name HZ   )   3.00  1.20  0.30
assi (resi 28   and name HB#  )  (resi 53   and name HE#  )   3.00  1.20  0.30
assi (resi 28   and name HG#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 28   and name HG#  )  (resi 53   and name HE#  )   4.00  2.20  1.00

! residue 29   Lys , intraresidue NOEs
assi (resi 29   and name HN   )  (resi 29   and name HA   )   3.00  1.20  0.30
assi (resi 29   and name HN   )  (resi 29   and name HB#  )   2.50  0.70  0.20
assi (resi 29   and name HN   )  (resi 29   and name HG#  )   4.00  2.20  1.00
assi (resi 29   and name HN   )  (resi 29   and name HD#  )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 29   and name HB#  )   2.50  0.70  0.20

! residue 29   Lys , NOEs forward in sequence
assi (resi 29   and name HN   )  (resi 30   and name HN   )   3.00  1.20  0.30
assi (resi 29   and name HA   )  (resi 30   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HB#  )  (resi 30   and name HN   )   3.00  1.20  0.30
assi (resi 29   and name HA   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 29   and name HA   )  (resi 32   and name HB#  )   3.00  1.20  0.30
assi (resi 29   and name HA   )  (resi 33   and name HN   )   4.00  2.20  1.00

! residue 30   Val , intraresidue NOEs
! trivial: assi (resi 30   and name HN   )  (resi 30   and name HA   )   4.00  2.20  1.00
assi (resi 30   and name HN   )  (resi 30   and name HB   )   2.50  0.70  0.20
assi (resi 30   and name HN   )  (resi 30   and name HG1# )   4.00  2.20 1.5
assi (resi 30   and name HN   )  (resi 30   and name HG2# )   2.50  0.70 0.7
! trivial: assi (resi 30   and name HA   )  (resi 30   and name HB   )   4.00  2.20  1.00
assi (resi 30   and name HA   )  (resi 30   and name HG1# )   3.00  1.20 0.8
assi (resi 30   and name HA   )  (resi 30   and name HG2# )   2.50  0.70 0.7
! trivial: assi (resi 30   and name HB   )  (resi 30   and name HG2# )   2.50  0.70  0.20

! residue 30   Val , NOEs forward in sequence
assi (resi 30   and name HN   )  (resi 31   and name HN   )   3.00  1.20  0.30
assi (resi 30   and name HA   )  (resi 31   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HB   )  (resi 31   and name HN   )   3.00  1.20  0.30
assi (resi 30   and name HG1# )  (resi 31   and name HN   )   4.00  2.20 1.5
assi (resi 30   and name HG1# )  (resi 31   and name HD#  )   4.00  2.20 1.5
assi (resi 30   and name HG2# )  (resi 31   and name HN   )   4.00  2.20 1.5
assi (resi 30   and name HA   )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 30   and name HA   )  (resi 33   and name HB#  )   3.00  1.20  0.30

! residue 31   Phe , intraresidue NOEs
assi (resi 31   and name HN   )  (resi 31   and name HB1  )   4.00  2.20  1.00
assi (resi 31   and name HN   )  (resi 31   and name HB2  )   2.50  0.70  0.20
assi (resi 31   and name HN   )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 31   and name HA   )  (resi 31   and name HD#  )   3.00  1.20  0.30
assi (resi 31   and name HB1  )  (resi 31   and name HD#  )   4.00  2.20  1.00
assi (resi 31   and name HB2  )  (resi 31   and name HD#  )   3.00  1.20  0.30
! trivial: assi (resi 31   and name HZ   )  (resi 31   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 31   and name HZ   )  (resi 31   and name HE#  )   2.50  0.70  0.20
! trivial: assi (resi 31   and name HD#  )  (resi 31   and name HE#  )   2.50  0.70  0.20

! residue 31   Phe , NOEs forward in sequence
assi (resi 31   and name HN   )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HB1  )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HB2  )  (resi 32   and name HN   )   4.00  2.20  1.00
assi (resi 31   and name HB1  )  (resi 35   and name HB#  )   4.00  2.20 1.5
assi (resi 31   and name HB1  )  (resi 44   and name HZ3  )   4.00  2.20  1.00
assi (resi 31   and name HB1  )  (resi 44   and name HH2  )   3.00  1.20  0.30
assi (resi 31   and name HB2  )  (resi 44   and name HZ3  )   4.00  2.20  1.00
assi (resi 31   and name HB2  )  (resi 44   and name HH2  )   4.00  2.20  1.00
assi (resi 31   and name HD#  )  (resi 53   and name HD#  )   4.00  2.20  1.00

! residue 32   Lys , intraresidue NOEs
assi (resi 32   and name HN   )  (resi 32   and name HA   )   3.00  1.20  0.30
assi (resi 32   and name HN   )  (resi 32   and name HB#  )   3.00  1.20  0.30
assi (resi 32   and name HN   )  (resi 32   and name HG#  )   4.00  2.20  1.00
assi (resi 32   and name HB#  )  (resi 32   and name HG#  )   2.50  0.70  0.20
! trivial: assi (resi 32   and name HG#  )  (resi 32   and name HD#  )   4.00  2.20  1.00

! residue 32   Lys , NOEs forward in sequence
assi (resi 32   and name HN   )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HB#  )  (resi 33   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HN   )  (resi 34   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HA   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 32   and name HA   )  (resi 35   and name HB#  )   2.50  0.70 0.7
assi (resi 32   and name HA   )  (resi 44   and name HZ2  )   3.00  1.20  0.30
assi (resi 32   and name HA   )  (resi 44   and name HH2  )   3.00  1.20  0.30

! residue 33   Gln , intraresidue NOEs
assi (resi 33   and name HN   )  (resi 33   and name HA   )   3.00  1.20  0.30
assi (resi 33   and name HN   )  (resi 33   and name HB#  )   2.50  0.70  0.20
assi (resi 33   and name HN   )  (resi 33   and name HG#  )   4.00  2.20  1.00
assi (resi 33   and name HA   )  (resi 33   and name HB#  )   2.50  0.70  0.20
assi (resi 33   and name HA   )  (resi 33   and name HG#  )   4.00  2.20  1.00
! trivial: assi (resi 33   and name HE21 )  (resi 33   and name HE22 )   2.50  0.70  0.20
assi (resi 33   and name HE21 )  (resi 33   and name HG#  )   4.00  2.20  1.00
assi (resi 33   and name HE22 )  (resi 33   and name HG#  )   4.00  2.20  1.00

! residue 33   Gln , NOEs forward in sequence
assi (resi 33   and name HN   )  (resi 34   and name HN   )   4.00  2.20  1.00
assi (resi 33   and name HA   )  (resi 34   and name HN   )   3.00  1.20  0.30
assi (resi 33   and name HB#  )  (resi 34   and name HN   )   3.00  1.20  0.30
assi (resi 33   and name HG#  )  (resi 34   and name HN   )   4.00  2.20  1.00
assi (resi 33   and name HA   )  (resi 36   and name HB#  )   3.00  1.20  0.30
assi (resi 33   and name HE21 )  (resi 36   and name HB#  )   4.00  2.20  1.00
assi (resi 33   and name HE22 )  (resi 36   and name HB#  )   4.00  2.20  1.00
assi (resi 33   and name HG#  )  (resi 37   and name HN   )   4.00  2.20  2.00

! residue 34   Tyr , intraresidue NOEs
assi (resi 34   and name HN   )  (resi 34   and name HB1  )   3.00  1.20  0.30
assi (resi 34   and name HN   )  (resi 34   and name HB2  )   3.00  1.20  0.30
assi (resi 34   and name HN   )  (resi 34   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 34   and name HA   )  (resi 34   and name HB1  )   4.00  2.20  1.00
assi (resi 34   and name HA   )  (resi 34   and name HB2  )   3.00  1.20  0.30
assi (resi 34   and name HA   )  (resi 34   and name HD#  )   3.00  1.20  0.30
assi (resi 34   and name HB1  )  (resi 34   and name HD#  )   2.50  0.70  0.20
assi (resi 34   and name HB1  )  (resi 34   and name HE#  )   4.00  2.20  1.00
assi (resi 34   and name HB2  )  (resi 34   and name HD#  )   2.50  0.70  0.20
assi (resi 34   and name HB2  )  (resi 34   and name HE#  )   4.00  2.20  1.00
! trivial: assi (resi 34   and name HD#  )  (resi 34   and name HE#  )   2.50  0.70  0.20

! residue 34   Tyr , NOEs forward in sequence
assi (resi 34   and name HN   )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HN   )  (resi 35   and name HB#  )   4.00  2.20 1.5
assi (resi 34   and name HB1  )  (resi 35   and name HN   )   3.00  1.20  0.30
assi (resi 34   and name HB2  )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HD#  )  (resi 35   and name HN   )   4.00  2.20  1.00
assi (resi 34   and name HD#  )  (resi 35   and name HA   )   4.00  2.20  1.00
assi (resi 34   and name HD#  )  (resi 35   and name HB#  )   4.00  2.20 1.5
assi (resi 34   and name HA   )  (resi 38   and name HD21 )   4.00  2.20  1.00
assi (resi 34   and name HD#  )  (resi 40   and name HD1# )   4.00  2.20 1.5
assi (resi 34   and name HE#  )  (resi 40   and name HD1# )   3.00  1.20 0.8

! residue 35   Ala , intraresidue NOEs
assi (resi 35   and name HN   )  (resi 35   and name HA   )   3.00  1.20  0.30
assi (resi 35   and name HN   )  (resi 35   and name HB#  )   2.50  0.70 0.7
! trivial: assi (resi 35   and name HA   )  (resi 35   and name HB#  )   2.50  0.70  0.20

! residue 35   Ala , NOEs forward in sequence
assi (resi 35   and name HN   )  (resi 36   and name HN   )   4.00  2.20  1.00
assi (resi 35   and name HB#  )  (resi 36   and name HN   )   2.50  0.70 0.7
assi (resi 35   and name HA   )  (resi 38   and name HB2  )   4.00  2.20  1.00
assi (resi 35   and name HA   )  (resi 40   and name HB   )   4.00  2.20  1.00
assi (resi 35   and name HB#  )  (resi 40   and name HN   )   4.00  2.20 1.5
assi (resi 35   and name HB#  )  (resi 40   and name HG2# )   3.00  1.20 1.3
assi (resi 35   and name HB#  )  (resi 44   and name HZ2  )   2.50  0.70 0.7
assi (resi 35   and name HB#  )  (resi 44   and name HH2  )   3.00  1.20 0.8
assi (resi 35   and name HB#  )  (resi 55   and name HB   )   4.00  2.20 1.5
assi (resi 35   and name HB#  )  (resi 55   and name HG1# )   3.00  1.20 1.3
assi (resi 35   and name HB#  )  (resi 55   and name HG1# )   3.00  1.20 1.3

! residue 36   Asn , intraresidue NOEs
assi (resi 36   and name HN   )  (resi 36   and name HA   )   2.50  0.70  0.20
assi (resi 36   and name HN   )  (resi 36   and name HB#  )   2.50  0.70  0.20
assi (resi 36   and name HA   )  (resi 36   and name HB#  )   3.00  1.20  0.30
! trivial: assi (resi 36   and name HD21 )  (resi 36   and name HD22 )   2.50  0.70  0.20
assi (resi 36   and name HD21 )  (resi 36   and name HB#  )   4.00  2.20  1.00

! residue 36   Asn , NOEs forward in sequence
assi (resi 36   and name HN   )  (resi 37   and name HN   )   4.00  2.20  1.00
assi (resi 36   and name HA   )  (resi 37   and name HN   )   4.00  2.20  1.00
assi (resi 36   and name HB#  )  (resi 37   and name HN   )   3.00  1.20  0.30
assi (resi 36   and name HN   )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 36   and name HA   )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 36   and name HA   )  (resi 39   and name HN   )   4.00  2.20  1.00

! residue 37   Asp , intraresidue NOEs
assi (resi 37   and name HN   )  (resi 37   and name HA   )   3.00  1.20  0.30
assi (resi 37   and name HN   )  (resi 37   and name HB#  )   3.00  1.20  0.30
assi (resi 37   and name HA   )  (resi 37   and name HB#  )   3.00  1.20  0.30

! residue 37   Asp , NOEs forward in sequence
assi (resi 37   and name HN   )  (resi 38   and name HN   )   3.00  1.20  0.30
assi (resi 37   and name HA   )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 37   and name HB#  )  (resi 38   and name HN   )   4.00  2.20  1.00
assi (resi 37   and name HB#  )  (resi 38   and name HD21 )   4.00  2.20  1.00
assi (resi 37   and name HN   )  (resi 39   and name HN   )   4.00  2.20  2.00
assi (resi 37   and name HA   )  (resi 39   and name HN   )   4.00  2.20  1.00

! residue 38   Asn , intraresidue NOEs
! trivial: assi (resi 38   and name HN   )  (resi 38   and name HA   )   4.00  2.20  1.00
assi (resi 38   and name HN   )  (resi 38   and name HB1  )   4.00  2.20  1.00
assi (resi 38   and name HN   )  (resi 38   and name HB2  )   3.00  1.20  0.30
assi (resi 38   and name HN   )  (resi 38   and name HD21 )   4.00  2.20  1.00
! trivial: assi (resi 38   and name HA   )  (resi 38   and name HB1  )   4.00  2.20  1.00
assi (resi 38   and name HA   )  (resi 38   and name HD21 )   4.00  2.20  1.00
! trivial: assi (resi 38   and name HB1  )  (resi 38   and name HB2  )   2.50  0.70  0.20
assi (resi 38   and name HB1  )  (resi 38   and name HD21 )   4.00  2.20  1.00
assi (resi 38   and name HB1  )  (resi 38   and name HD22 )   4.00  2.20  1.00
assi (resi 38   and name HB2  )  (resi 38   and name HD21 )   3.00  1.20  0.30
assi (resi 38   and name HB2  )  (resi 38   and name HD22 )   4.00  2.20  1.00
! trivial: assi (resi 38   and name HD21 )  (resi 38   and name HD22 )   2.50  0.70  0.20

! residue 38   Asn , NOEs forward in sequence
assi (resi 38   and name HN   )  (resi 39   and name HN   )   3.00  1.20  0.30
assi (resi 38   and name HA   )  (resi 39   and name HN   )   4.00  2.20  1.00
assi (resi 38   and name HB1  )  (resi 40   and name HD1# )   4.00  2.20 1.5

! residue 39   Gly , intraresidue NOEs
assi (resi 39   and name HN   )  (resi 39   and name HA#  )   2.50  0.70  0.20

! residue 39   Gly , NOEs forward in sequence
assi (resi 39   and name HN   )  (resi 40   and name HN   )   3.00  1.20  0.30
assi (resi 39   and name HA#  )  (resi 40   and name HN   )   3.00  1.20  0.30

! residue 40   Ile , intraresidue NOEs
assi (resi 40   and name HN   )  (resi 40   and name HB   )   3.00  1.20  0.30
assi (resi 40   and name HN   )  (resi 40   and name HG2# )   4.00  2.20 1.5
assi (resi 40   and name HN   )  (resi 40   and name HD1# )   4.00  2.20 1.5
assi (resi 40   and name HN   )  (resi 40   and name HG1# )   4.00  2.20  1.00
assi (resi 40   and name HA   )  (resi 40   and name HG2# )   3.00  1.20 0.8
assi (resi 40   and name HA   )  (resi 40   and name HD1# )   4.00  2.20 1.5
! trivial: assi (resi 40   and name HB   )  (resi 40   and name HG2# )   2.50  0.70  0.20

! residue 40   Ile , NOEs forward in sequence
assi (resi 40   and name HA   )  (resi 41   and name HN   )   2.50  0.70  0.20
assi (resi 40   and name HG2# )  (resi 41   and name HN   )   4.00  2.20 1.5
assi (resi 40   and name HG2# )  (resi 42   and name HN   )   4.00  2.20 1.5
assi (resi 40   and name HG2# )  (resi 55   and name HB   )   3.00  1.20 0.8
assi (resi 40   and name HG2# )  (resi 57   and name HG#  )   4.00  2.20 1.5

! residue 41   Asp , intraresidue NOEs
assi (resi 41   and name HN   )  (resi 41   and name HA   )   3.00  1.20  0.30
assi (resi 41   and name HN   )  (resi 41   and name HB#  )   3.00  1.20  0.30
assi (resi 41   and name HA   )  (resi 41   and name HB#  )   3.00  1.20  0.30

! residue 41   Asp , NOEs forward in sequence
assi (resi 41   and name HA   )  (resi 42   and name HN   )   3.00  1.20  0.30
assi (resi 41   and name HB#  )  (resi 42   and name HN   )   4.00  2.20  1.00
assi (resi 41   and name HN   )  (resi 57   and name HG#  )   4.00  2.20  1.00

! residue 42   Gly , intraresidue NOEs
! trivial: assi (resi 42   and name HN   )  (resi 42   and name HA1  )   4.00  2.20  1.00
assi (resi 42   and name HN   )  (resi 42   and name HA2  )   3.00  1.20  0.30
! trivial: assi (resi 42   and name HA1  )  (resi 42   and name HA2  )   2.50  0.70  0.20

! residue 42   Gly , NOEs forward in sequence
assi (resi 42   and name HA1  )  (resi 43   and name HN   )   3.00  1.20  0.30
assi (resi 42   and name HA2  )  (resi 43   and name HN   )   3.00  1.20  0.30
assi (resi 42   and name HN   )  (resi 44   and name HE1  )   4.00  2.20  1.00
assi (resi 42   and name HN   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 42   and name HA1  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 42   and name HA1  )  (resi 56   and name HN   )   4.00  2.20  1.00
assi (resi 42   and name HN   )  (resi 57   and name HG#  )   4.00  2.20  1.00

! residue 43   Glu , intraresidue NOEs
assi (resi 43   and name HN   )  (resi 43   and name HA   )   2.50  0.70  0.20
assi (resi 43   and name HN   )  (resi 43   and name HB#  )   3.00  1.20  0.30
assi (resi 43   and name HN   )  (resi 43   and name HG#  )   3.00  1.20  0.30

! residue 43   Glu , NOEs forward in sequence
assi (resi 43   and name HA   )  (resi 44   and name HN   )   2.50  0.70  0.20
assi (resi 43   and name HA   )  (resi 44   and name HD1  )   3.00  1.20  0.30
assi (resi 43   and name HB#  )  (resi 44   and name HN   )   4.00  2.20  1.00
assi (resi 43   and name HN   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 43   and name HN  ) (resi 56   and name HN  )  4.00  2.20  1.00
assi (resi 43   and name HN   )  (resi 56   and name HB   )   4.00  2.20  1.00

! residue 44   Trp , intraresidue NOEs
assi (resi 44   and name HN   )  (resi 44   and name HA   )   2.50  0.70  0.20
assi (resi 44   and name HN   )  (resi 44   and name HD1  )   3.00  1.20  0.30
assi (resi 44   and name HN   )  (resi 44   and name HB#  )   3.00  1.20  0.30
assi (resi 44   and name HA   )  (resi 44   and name HD1  )   4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 44   and name HE3  )   4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 44   and name HB#  )   3.00  1.20  0.30
! trivial: assi (resi 44   and name HD1  )  (resi 44   and name HE1  )   3.00  1.20  0.30
assi (resi 44   and name HD1  )  (resi 44   and name HB#  )   4.00  2.20  1.00
! trivial: assi (resi 44   and name HE1  )  (resi 44   and name HZ2  )   4.00  2.20  1.00
! trivial: assi (resi 44   and name HE3  )  (resi 44   and name HZ3  )   3.00  1.20  0.30
assi (resi 44   and name HE3  )  (resi 44   and name HB#  )   3.00  1.20  0.30
! trivial: assi (resi 44   and name HZ2  )  (resi 44   and name HH2  )   3.00  1.20  0.30
! trivial: assi (resi 44   and name HZ3  )  (resi 44   and name HH2  )   2.50  0.70  0.20
! trivial: assi (resi 44   and name HB#  )  (resi 44   and name HB#  )   2.50  0.70  0.20

! residue 44   Trp , NOEs forward in sequence
assi (resi 44   and name HA   )  (resi 45   and name HN   )   2.50  0.70  0.20
assi (resi 44   and name HB#  )  (resi 45   and name HN   )   3.00  1.20  0.30
assi (resi 44   and name HE3  )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 44   and name HE3  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 44   and name HZ3  )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 44   and name HZ3  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 44   and name HB#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 44   and name HA   )  (resi 55   and name HA   )   3.00  1.20  0.30
assi (resi 44   and name HA   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HD1  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HE1  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HE1  )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 44   and name HE1  )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 44   and name HE3  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HZ2  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HZ2  )  (resi 55   and name HG1# )   3.00  1.20 0.8
assi (resi 44   and name HZ2  )  (resi 55   and name HG1# )   3.00  1.20 0.8
assi (resi 44   and name HZ3  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HH2  )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 44   and name HH2  )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 44   and name HH2  )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 44   and name HA   )  (resi 56   and name HN   )   4.00  2.20  1.00

! residue 45   Thr , intraresidue NOEs
assi (resi 45   and name HN   )  (resi 45   and name HA   )   3.00  1.20  0.30
assi (resi 45   and name HN   )  (resi 45   and name HB   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 45   and name HG2# )   4.00  2.20 1.5
assi (resi 45   and name HA   )  (resi 45   and name HB   )   2.50  0.70  0.20

! residue 45   Thr , NOEs forward in sequence
assi (resi 45   and name HA   )  (resi 46   and name HN   )   2.50  0.70  0.20
assi (resi 45   and name HB   )  (resi 46   and name HN   )   3.00  1.20  0.30
assi (resi 45   and name HG2# )  (resi 46   and name HN   )   4.00  2.20 1.5
assi (resi 45   and name HN   )  (resi 54   and name HN   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 54   and name HB   )   4.00  2.20  1.00
assi (resi 45   and name HN   )  (resi 55   and name HA   )   4.00  2.20  1.00

! residue 46   Tyr , intraresidue NOEs
! trivial: assi (resi 46   and name HN   )  (resi 46   and name HA   )   4.00  2.20  1.00
assi (resi 46   and name HN   )  (resi 46   and name HB#  )   2.50  0.70  0.20
assi (resi 46   and name HA   )  (resi 46   and name HB#  )   3.00  1.20  0.30
assi (resi 46   and name HB#  )  (resi 46   and name HD#  )   4.00  2.20  1.00

! residue 46   Tyr , NOEs forward in sequence
assi (resi 46   and name HA   )  (resi 47   and name HN   )   2.50  0.70  0.20
assi (resi 46   and name HB#  )  (resi 47   and name HN   )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 48   and name HB#  )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 51   and name HG#  )   4.00  2.20  1.00
assi (resi 46   and name HA   )  (resi 53   and name HA   )   4.00  2.20  1.00
assi (resi 46   and name HA   )  (resi 53   and name HD#  )   4.00  2.20  2.00
assi (resi 46   and name HB#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 46   and name HD#  )  (resi 53   and name HE#  )   4.00  2.20  1.00
assi (resi 46   and name HE#  )  (resi 53   and name HD#  )   4.00  2.20  2.00
assi (resi 46   and name HA   )  (resi 54   and name HN   )   3.00  1.20  0.30

! residue 47   Asp , intraresidue NOEs
! trivial: assi (resi 47   and name HN   )  (resi 47   and name HA   )   4.00  2.20  1.00
assi (resi 47   and name HN   )  (resi 47   and name HB#  )   4.00  2.20  1.00
! trivial: assi (resi 47   and name HA   )  (resi 47   and name HB#  )   4.00  2.20  1.00
! trivial: assi (resi 47   and name HB#  )  (resi 47   and name HB#  )   2.50  0.70  0.20

! residue 47   Asp , NOEs forward in sequence
assi (resi 47   and name HN   )  (resi 48   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HA   )  (resi 48   and name HN   )   2.50  0.70  0.20
assi (resi 47   and name HB#  )  (resi 48   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HA   )  (resi 49   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HN   )  (resi 52   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HB#  )  (resi 52   and name HN   )   4.00  2.20  1.00
assi (resi 47   and name HB#  )  (resi 52   and name HB   )   4.00  2.20  1.00
assi (resi 47   and name HN   )  (resi 53   and name HA   )   4.00  2.20  1.00

! residue 48   Asp , intraresidue NOEs
! trivial: assi (resi 48   and name HN   )  (resi 48   and name HA   )   4.00  2.20  1.00
assi (resi 48   and name HN   )  (resi 48   and name HB#  )   2.50  0.70  0.20
assi (resi 48   and name HA   )  (resi 48   and name HB#  )   3.00  1.20  0.30

! residue 48   Asp , NOEs forward in sequence
assi (resi 48   and name HN   )  (resi 49   and name HN   )   3.00  1.20  0.30
assi (resi 48   and name HB#  )  (resi 49   and name HN   )   4.00  2.20  1.00
assi (resi 48   and name HA   )  (resi 51   and name HN   )   3.00  1.20  0.30

! residue 49   Ala , intraresidue NOEs
assi (resi 49   and name HN   )  (resi 49   and name HA   )   2.50  0.70  0.20
assi (resi 49   and name HN   )  (resi 49   and name HB#  )   2.50  0.70 0.7

! residue 49   Ala , NOEs forward in sequence
assi (resi 49   and name HN   )  (resi 50   and name HN   )   3.00  1.20  0.30
assi (resi 49   and name HN   )  (resi 50   and name HG2# )   4.00  2.20 1.5
assi (resi 49   and name HA   )  (resi 50   and name HN   )   4.00  2.20  1.00
assi (resi 49   and name HB#  )  (resi 50   and name HN   )   3.00  1.20 0.8
assi (resi 49   and name HN   )  (resi 51   and name HN   )   4.00  2.20  1.00
assi (resi 49   and name HB#  )  (resi 51   and name HN   )   4.00  2.20 1.5

! residue 50   Thr , intraresidue NOEs
assi (resi 50   and name HN   )  (resi 50   and name HA   )   3.00  1.20  0.30
assi (resi 50   and name HN   )  (resi 50   and name HG2# )   3.00  1.20 0.8
assi (resi 50   and name HA   )  (resi 50   and name HG2# )   2.50  0.70 0.7

! residue 50   Thr , NOEs forward in sequence
assi (resi 50   and name HN   )  (resi 51   and name HN   )   2.50  0.70  0.20
assi (resi 50   and name HA   )  (resi 51   and name HN   )   3.00  1.20  0.30
assi (resi 50   and name HG2# )  (resi 51   and name HN   )   4.00  2.20 1.5

! residue 51   Lys , intraresidue NOEs
assi (resi 51   and name HN   )  (resi 51   and name HA   )   2.50  0.70  0.20
assi (resi 51   and name HN   )  (resi 51   and name HB#  )   4.00  2.20  1.00
assi (resi 51   and name HN   )  (resi 51   and name HG#  )   4.00  2.20  1.00
assi (resi 51   and name HN   )  (resi 51   and name HD#  )   3.00  1.20  0.30
assi (resi 51   and name HA  ) (resi 51   and name HG# )  4.00  2.20  1.00

! residue 51   Lys , NOEs forward in sequence
assi (resi 51   and name HN   )  (resi 52   and name HN   )   4.00  2.20  1.00
assi (resi 51   and name HA   )  (resi 52   and name HN   )   3.00  1.20  0.30

! residue 52   Thr , intraresidue NOEs
! trivial: assi (resi 52   and name HN   )  (resi 52   and name HA   )   4.00  2.20  1.00
assi (resi 52   and name HN   )  (resi 52   and name HB   )   3.00  1.20  0.30
assi (resi 52   and name HN   )  (resi 52   and name HG2# )   4.00  2.20 1.5
assi (resi 52   and name HA   )  (resi 52   and name HG2# )   3.00  1.20 0.8
! trivial: assi (resi 52   and name HB   )  (resi 52   and name HG2# )   2.50  0.70  0.20

! residue 52   Thr , NOEs forward in sequence
assi (resi 52   and name HA   )  (resi 53   and name HN   )   2.50  0.70  0.20
assi (resi 52   and name HA   )  (resi 53   and name HD#  )   4.00  2.20  1.00
assi (resi 52   and name HG2# )  (resi 53   and name HN   )   4.00  2.20 1.5

! residue 53   Phe , intraresidue NOEs
! trivial: assi (resi 53   and name HN   )  (resi 53   and name HA   )   4.00  2.20  1.00
assi (resi 53   and name HN   )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 53   and name HN   )  (resi 53   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 53   and name HA   )  (resi 53   and name HB#  )   4.00  2.20  1.00
assi (resi 53   and name HA   )  (resi 53   and name HD#  )   4.00  2.20  1.00
! trivial: assi (resi 53   and name HZ   )  (resi 53   and name HE#  )   2.50  0.70  0.20
assi (resi 53   and name HB#  )  (resi 53   and name HD#  )   2.50  0.70  0.20
! trivial: assi (resi 53   and name HD#  )  (resi 53   and name HE#  )   2.50  0.70  0.20

! residue 53   Phe , NOEs forward in sequence
assi (resi 53   and name HA   )  (resi 54   and name HN   )   2.50  0.70  0.20
assi (resi 53   and name HB#  )  (resi 54   and name HN   )   4.00  2.20  1.00

! residue 54   Thr , intraresidue NOEs
assi (resi 54   and name HN   )  (resi 54   and name HB   )   3.00  1.20  0.30
assi (resi 54   and name HA   )  (resi 54   and name HB   )   3.00  1.20  0.30
assi (resi 54   and name HA   )  (resi 54   and name HG2# )   3.00  1.20 0.8
assi (resi 54   and name HA   )  (resi 54   and name HG2# )   3.00  1.20 0.8
! trivial: assi (resi 54   and name HB   )  (resi 54   and name HG2# )   2.50  0.70  0.20

! residue 54   Thr , NOEs forward in sequence
assi (resi 54   and name HA   )  (resi 55   and name HN   )   2.50  0.70  0.20
assi (resi 54   and name HB   )  (resi 55   and name HN   )   4.00  2.20  1.00
assi (resi 54   and name HG2# )  (resi 55   and name HN   )   4.00  2.20 1.5
assi (resi 54   and name HG2# )  (resi 55   and name HN   )   4.00  2.20 1.5

! residue 55   Val , intraresidue NOEs
assi (resi 55   and name HN   )  (resi 55   and name HA   )   2.50  0.70  0.20
assi (resi 55   and name HN   )  (resi 55   and name HB   )   4.00  2.20  1.00
assi (resi 55   and name HN   )  (resi 55   and name HG1# )   2.50  0.70 0.7
assi (resi 55   and name HN   )  (resi 55   and name HG1# )   2.50  0.70 0.7
assi (resi 55   and name HA   )  (resi 55   and name HB   )   2.50  0.70  0.20
assi (resi 55   and name HA   )  (resi 55   and name HG1# )   4.00  2.20 1.5
assi (resi 55   and name HA   )  (resi 55   and name HG1# )   4.00  2.20 1.5
! trivial: assi (resi 55   and name HB   )  (resi 55   and name HG1# )   2.50  0.70  0.20

! residue 55   Val , NOEs forward in sequence
assi (resi 55   and name HA   )  (resi 56   and name HN   )   2.50  0.70  0.20
assi (resi 55   and name HB  ) (resi 56   and name HN  )  4.00  2.20  1.00
assi (resi 55   and name HG1# )  (resi 56   and name HN   )   3.00  1.20 0.8
assi (resi 55   and name HG1# )  (resi 56   and name HN   )   3.00  1.20 0.8

! residue 56   Thr , intraresidue NOEs
assi (resi 56   and name HN   )  (resi 56   and name HB   )   2.50  0.70  0.20
assi (resi 56   and name HN   )  (resi 56   and name HG2# )   4.00  2.20 1.5
assi (resi 56   and name HA   )  (resi 56   and name HG2# )   3.00  1.20 0.8
! trivial: assi (resi 56   and name HB   )  (resi 56   and name HG2# )   2.50  0.70  0.20

! residue 56   Thr , NOEs forward in sequence
assi (resi 56   and name HN   )  (resi 57   and name HN   )   4.00  2.20  1.00
assi (resi 56   and name HA   )  (resi 57   and name HN   )   2.50  0.70  0.20
assi (resi 56   and name HG2# )  (resi 57   and name HN   )   4.00  2.20 1.5

! residue 57   Glu , intraresidue NOEs
assi (resi 57   and name HN   )  (resi 57   and name HA   )   3.00  1.20  0.30
assi (resi 57   and name HN   )  (resi 57   and name HB#  )   3.00  1.20  0.30
assi (resi 57   and name HN   )  (resi 57   and name HG#  )   4.00  2.20  1.00
assi (resi 57   and name HA   )  (resi 57   and name HB#  )   3.00  1.20  0.30
assi (resi 57   and name HA   )  (resi 57   and name HG#  )   4.00  2.20  1.00
!
! number of restraints as function of range
! |i-j| = 0 :    208
! |i-j| = 1 :    145
! |i-j| = 2 :     24
! |i-j| = 3 :     21
! |i-j| = 4 :     12
! |i-j| > 4 :    176
! total     :    586
! Hbond distances, from obviously unchanged peaks in gtncosy exchange data. 
  
assi (resi 47   and name O   ) (resi 52   and name HN  )  2.30  0.80  0.50
assi (resi 47   and name O   ) (resi 52   and name N   )  3.30  0.9  0.2

assi (resi 45   and name O   ) (resi 54   and name HN  )  2.30  0.80  0.50
assi (resi 45   and name O   ) (resi 54   and name N   )  3.30  0.9  0.2

assi (resi 5   and name O   ) (resi 53   and name HN  )  2.30  0.80  0.50
assi (resi 5   and name O   ) (resi 53   and name N   )  3.30  0.9  0.2

assi (resi 54   and name O   ) (resi 45   and name HN  )  2.30  0.80  0.50
assi (resi 54   and name O   ) (resi 45   and name N   )  3.30  0.9  0.2

assi (resi 53   and name O   ) (resi 7   and name HN  )  2.30  0.80  0.50
assi (resi 53   and name O   ) (resi 7   and name N   )  3.30  0.9  0.2

assi (resi  28  and name O   ) (resi 32   and name HN  )  2.30  0.80  0.50
assi (resi  28  and name O   ) (resi 32   and name N   )  3.30  0.9  0.2

assi (resi  29  and name O   ) (resi 33   and name HN  )  2.30  0.80  0.50
assi (resi  29  and name O   ) (resi 33   and name N   )  3.30  0.9  0.2

assi (resi  55  and name O   ) (resi 9   and name HN  )  2.30  0.80  0.50
assi (resi  55  and name O   ) (resi 9   and name N   )  3.30  0.9  0.2

assi (resi 51   and name O   ) (resi 5   and name HN  )  2.30  0.80  0.50
assi (resi 51   and name O   ) (resi 5   and name N   )  3.30  0.9  0.2

assi (resi  17  and name O   ) (resi 6   and name HN  )  2.30  0.80  0.50
assi (resi  17  and name O   ) (resi 6   and name N   )  3.30  0.9  0.2

assi (resi  56  and name O   ) (resi 43   and name HN  )  2.30  0.80  0.50
assi (resi  56  and name O   ) (resi 43   and name N   )  3.30  0.9  0.2

assi (resi  47  and name O   ) (resi 51   and name HN  )  2.30  0.80  0.50
assi (resi  47  and name O   ) (resi 51   and name N   )  3.30  0.9  0.2

assi (resi  6  and name O   ) (resi 17   and name HN  )  2.30  0.80  0.50
assi (resi  6  and name O   ) (resi 17   and name N   )  3.30  0.9  0.2

assi (resi  2  and name O   ) (resi 21   and name HN  )  2.30  0.80  0.50
assi (resi  2  and name O   ) (resi 21   and name N   )  3.30  0.9  0.2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          HT1       MET   1  17.595  -0.638   2.348
    2   2H    MET   1          HT2       MET   1  17.429  -2.020   3.323
    3   3H    MET   1          HT3       MET   1  16.705  -0.556   3.790
    4    HA   MET   1           HA       MET   1  15.969  -2.076   1.339
    5   1HB   MET   1          HB2       MET   1  15.082  -2.099   4.208
    6   2HB   MET   1          HB1       MET   1  13.892  -2.413   2.944
    7   1HG   MET   1          HG2       MET   1  14.904  -4.388   2.287
    8   2HG   MET   1          HG1       MET   1  16.505  -3.864   2.811
    9   1HE   MET   1          HE1       MET   1  17.582  -4.409   4.901
   10   2HE   MET   1          HE2       MET   1  16.765  -4.525   6.458
   11   3HE   MET   1          HE3       MET   1  16.653  -3.037   5.521
   12    H    THR   2           HN       THR   2  13.643  -1.328   0.771
   13    HA   THR   2           HA       THR   2  13.564   1.654   0.887
   14    HB   THR   2           HB       THR   2  12.133  -0.362  -0.876
   15    HG1  THR   2           HG1      THR   2  14.472   1.195  -1.246
   16   1HG2  THR   2          HG21      THR   2  10.892   1.667  -0.897
   17   2HG2  THR   2          HG22      THR   2  11.906   1.724  -2.340
   18   3HG2  THR   2          HG23      THR   2  12.358   2.649  -0.907
   19    H    THR   3           HN       THR   3  12.278   2.366   2.550
   20    HA   THR   3           HA       THR   3  10.115   0.789   3.653
   21    HB   THR   3           HB       THR   3  10.831   3.695   4.102
   22    HG1  THR   3           HG1      THR   3  12.595   2.962   4.928
   23   1HG2  THR   3          HG21      THR   3  10.082   2.625   6.504
   24   2HG2  THR   3          HG22      THR   3   9.041   1.734   5.394
   25   3HG2  THR   3          HG23      THR   3   8.994   3.496   5.425
   26    H    PHE   4           HN       PHE   4   8.429   0.549   2.137
   27    HA   PHE   4           HA       PHE   4   7.402   2.890   0.656
   28   1HB   PHE   4          HB2       PHE   4   6.712  -0.053   0.841
   29   2HB   PHE   4          HB1       PHE   4   5.795   1.070  -0.160
   30    HD1  PHE   4           HD1      PHE   4   7.035   2.395  -1.954
   31    HD2  PHE   4           HD2      PHE   4   8.769  -0.947   0.112
   32    HE1  PHE   4           HE1      PHE   4   8.730   2.163  -3.750
   33    HE2  PHE   4           HE2      PHE   4  10.462  -1.179  -1.684
   34    HZ   PHE   4           HZ       PHE   4  10.441   0.375  -3.615
   35    H    LYS   5           HN       LYS   5   4.969   3.296   0.769
   36    HA   LYS   5           HA       LYS   5   3.813   2.722   3.471
   37   1HB   LYS   5          HB2       LYS   5   4.535   5.311   2.171
   38   2HB   LYS   5          HB1       LYS   5   3.047   5.273   3.118
   39   1HG   LYS   5          HG2       LYS   5   4.168   5.146   5.084
   40   2HG   LYS   5          HG1       LYS   5   5.295   3.941   4.463
   41   1HD   LYS   5          HD2       LYS   5   6.649   5.835   4.896
   42   2HD   LYS   5          HD1       LYS   5   6.370   5.890   3.155
   43   1HE   LYS   5          HE2       LYS   5   5.126   7.805   3.295
   44   2HE   LYS   5          HE1       LYS   5   4.326   7.285   4.792
   45   1HZ   LYS   5          HZ1       LYS   5   7.143   8.209   4.560
   46   2HZ   LYS   5          HZ2       LYS   5   6.395   7.674   5.989
   47   3HZ   LYS   5          HZ3       LYS   5   5.866   9.100   5.232
   48    H    LEU   6           HN       LEU   6   1.707   2.056   3.284
   49    HA   LEU   6           HA       LEU   6   0.316   2.483   0.672
   50   1HB   LEU   6          HB2       LEU   6   0.693   0.164   1.353
   51   2HB   LEU   6          HB1       LEU   6  -0.044   0.476   2.923
   52    HG   LEU   6           HG       LEU   6  -2.177   1.091   1.694
   53   1HD1  LEU   6          HD11      LEU   6  -1.303   1.580  -0.498
   54   2HD1  LEU   6          HD12      LEU   6  -2.329   0.154  -0.651
   55   3HD1  LEU   6          HD13      LEU   6  -0.572  -0.019  -0.622
   56   1HD2  LEU   6          HD21      LEU   6  -2.408  -1.468   0.869
   57   2HD2  LEU   6          HD22      LEU   6  -2.423  -1.018   2.574
   58   3HD2  LEU   6          HD23      LEU   6  -0.937  -1.612   1.830
   59    H    ILE   7           HN       ILE   7  -1.306   3.997   0.680
   60    HA   ILE   7           HA       ILE   7  -2.286   5.159   3.171
   61    HB   ILE   7           HB       ILE   7  -1.914   6.144   0.735
   62   1HG1  ILE   7          HG12      ILE   7  -3.793   7.818   1.246
   63   2HG1  ILE   7          HG11      ILE   7  -4.136   6.819   2.658
   64   1HG2  ILE   7          HG21      ILE   7  -3.620   4.511  -0.252
   65   2HG2  ILE   7          HG22      ILE   7  -3.818   6.207  -0.690
   66   3HG2  ILE   7          HG23      ILE   7  -4.857   5.487   0.539
   67   1HD1  ILE   7          HD11      ILE   7  -2.058   7.271   3.643
   68   2HD1  ILE   7          HD12      ILE   7  -2.470   8.819   2.905
   69   3HD1  ILE   7          HD13      ILE   7  -1.325   7.739   2.109
   70    H    ILE   8           HN       ILE   8  -4.741   5.181   3.613
   71    HA   ILE   8           HA       ILE   8  -5.962   2.561   2.807
   72    HB   ILE   8           HB       ILE   8  -6.045   3.941   5.511
   73   1HG1  ILE   8          HG12      ILE   8  -4.632   1.377   4.717
   74   2HG1  ILE   8          HG11      ILE   8  -3.818   2.937   4.836
   75   1HG2  ILE   8          HG21      ILE   8  -6.979   1.175   4.695
   76   2HG2  ILE   8          HG22      ILE   8  -8.053   2.557   4.903
   77   3HG2  ILE   8          HG23      ILE   8  -7.155   1.923   6.281
   78   1HD1  ILE   8          HD11      ILE   8  -5.473   2.127   7.170
   79   2HD1  ILE   8          HD12      ILE   8  -3.928   2.976   7.127
   80   3HD1  ILE   8          HD13      ILE   8  -3.978   1.226   6.914
   81    H    ASN   9           HN       ASN   9  -6.964   4.155   1.141
   82    HA   ASN   9           HA       ASN   9  -9.129   5.836   2.305
   83   1HB   ASN   9          HB2       ASN   9  -7.863   5.475  -0.413
   84   2HB   ASN   9          HB1       ASN   9  -9.369   6.370  -0.227
   85   1HD2  ASN   9          HD21      ASN   9  -6.340   7.148  -0.742
   86   2HD2  ASN   9          HD22      ASN   9  -6.114   8.448   0.326
   87    H    GLY  10           HN       GLY  10  -9.537   3.178   2.814
   88   1HA   GLY  10          HA2       GLY  10 -11.444   2.209   0.738
   89   2HA   GLY  10          HA1       GLY  10 -10.714   1.204   1.994
   90    H    LYS  11           HN       LYS  11 -13.452   1.155   1.650
   91    HA   LYS  11           HA       LYS  11 -14.730   2.982   3.570
   92   1HB   LYS  11          HB2       LYS  11 -15.687   2.043   1.394
   93   2HB   LYS  11          HB1       LYS  11 -15.843   0.503   2.240
   94   1HG   LYS  11          HG2       LYS  11 -17.460   1.323   3.711
   95   2HG   LYS  11          HG1       LYS  11 -16.953   2.998   3.491
   96   1HD   LYS  11          HD2       LYS  11 -17.978   3.146   1.356
   97   2HD   LYS  11          HD1       LYS  11 -18.143   1.396   1.225
   98   1HE   LYS  11          HE2       LYS  11 -19.497   2.301   3.619
   99   2HE   LYS  11          HE1       LYS  11 -20.079   3.216   2.215
  100   1HZ   LYS  11          HZ1       LYS  11 -20.497   1.221   1.032
  101   2HZ   LYS  11          HZ2       LYS  11 -21.198   1.020   2.567
  102   3HZ   LYS  11          HZ3       LYS  11 -19.718   0.271   2.201
  103    H    THR  12           HN       THR  12 -12.722   0.410   4.074
  104    HA   THR  12           HA       THR  12 -14.320  -0.630   6.386
  105    HB   THR  12           HB       THR  12 -11.999  -1.969   4.981
  106    HG1  THR  12           HG1      THR  12 -14.771  -2.178   4.417
  107   1HG2  THR  12          HG21      THR  12 -13.155  -2.622   7.306
  108   2HG2  THR  12          HG22      THR  12 -12.589  -3.846   6.170
  109   3HG2  THR  12          HG23      THR  12 -14.297  -3.409   6.216
  110    H    LEU  13           HN       LEU  13 -11.190   0.650   5.312
  111    HA   LEU  13           HA       LEU  13 -10.418   0.936   8.198
  112   1HB   LEU  13          HB2       LEU  13  -8.905  -0.228   5.862
  113   2HB   LEU  13          HB1       LEU  13  -8.053   0.402   7.272
  114    HG   LEU  13           HG       LEU  13 -10.298  -1.605   7.523
  115   1HD1  LEU  13          HD11      LEU  13  -8.169  -3.143   7.945
  116   2HD1  LEU  13          HD12      LEU  13  -7.411  -1.997   6.839
  117   3HD1  LEU  13          HD13      LEU  13  -8.821  -2.922   6.321
  118   1HD2  LEU  13          HD21      LEU  13  -9.152  -2.037   9.696
  119   2HD2  LEU  13          HD22      LEU  13  -9.703  -0.368   9.552
  120   3HD2  LEU  13          HD23      LEU  13  -7.999  -0.758   9.316
  121    H    LYS  14           HN       LYS  14  -8.466   2.509   8.345
  122    HA   LYS  14           HA       LYS  14  -8.128   4.466   6.205
  123   1HB   LYS  14          HB2       LYS  14 -10.433   4.717   7.574
  124   2HB   LYS  14          HB1       LYS  14  -9.372   5.622   8.654
  125   1HG   LYS  14          HG2       LYS  14  -9.037   6.238   5.778
  126   2HG   LYS  14          HG1       LYS  14 -10.595   6.703   6.462
  127   1HD   LYS  14          HD2       LYS  14  -9.339   7.833   8.339
  128   2HD   LYS  14          HD1       LYS  14  -7.850   7.524   7.446
  129   1HE   LYS  14          HE2       LYS  14  -8.367   9.653   6.647
  130   2HE   LYS  14          HE1       LYS  14  -9.250   8.669   5.463
  131   1HZ   LYS  14          HZ1       LYS  14 -10.741  10.291   6.407
  132   2HZ   LYS  14          HZ2       LYS  14 -10.344   9.801   7.985
  133   3HZ   LYS  14          HZ3       LYS  14 -11.188   8.748   6.952
  134    H    GLY  15           HN       GLY  15  -6.227   5.620   6.555
  135   1HA   GLY  15          HA2       GLY  15  -4.957   6.753   8.550
  136   2HA   GLY  15          HA1       GLY  15  -4.810   5.089   9.115
  137    H    GLU  16           HN       GLU  16  -2.659   4.643   8.814
  138    HA   GLU  16           HA       GLU  16  -1.654   4.548   6.030
  139   1HB   GLU  16          HB2       GLU  16  -1.250   6.846   7.137
  140   2HB   GLU  16          HB1       GLU  16  -0.101   6.003   8.177
  141   1HG   GLU  16          HG2       GLU  16   1.089   5.182   6.150
  142   2HG   GLU  16          HG1       GLU  16  -0.021   6.118   5.148
  143    H    THR  17           HN       THR  17   0.216   3.159   5.844
  144    HA   THR  17           HA       THR  17   1.088   1.720   8.308
  145    HB   THR  17           HB       THR  17   0.028   0.428   5.772
  146    HG1  THR  17           HG1      THR  17  -1.735   1.049   6.819
  147   1HG2  THR  17          HG21      THR  17   1.687  -0.995   6.744
  148   2HG2  THR  17          HG22      THR  17   0.126  -1.636   7.257
  149   3HG2  THR  17          HG23      THR  17   1.096  -0.678   8.376
  150    H    THR  18           HN       THR  18   3.144   0.621   8.007
  151    HA   THR  18           HA       THR  18   4.606   1.317   5.484
  152    HB   THR  18           HB       THR  18   6.532   1.905   6.958
  153    HG1  THR  18           HG1      THR  18   6.107   0.757   8.776
  154   1HG2  THR  18          HG21      THR  18   5.789   4.052   7.276
  155   2HG2  THR  18          HG22      THR  18   4.293   3.531   8.053
  156   3HG2  THR  18          HG23      THR  18   4.445   3.464   6.297
  157    H    THR  19           HN       THR  19   6.776   0.033   5.468
  158    HA   THR  19           HA       THR  19   6.846  -2.486   6.958
  159    HB   THR  19           HB       THR  19   5.065  -2.915   5.313
  160    HG1  THR  19           HG1      THR  19   6.429  -4.633   5.753
  161   1HG2  THR  19          HG21      THR  19   7.141  -2.350   3.181
  162   2HG2  THR  19          HG22      THR  19   5.898  -1.195   3.661
  163   3HG2  THR  19          HG23      THR  19   5.438  -2.736   2.937
  164    H    GLU  20           HN       GLU  20   8.509  -3.978   5.429
  165    HA   GLU  20           HA       GLU  20  10.777  -2.152   4.709
  166   1HB   GLU  20          HB2       GLU  20  12.243  -3.864   5.775
  167   2HB   GLU  20          HB1       GLU  20  11.096  -3.166   6.913
  168   1HG   GLU  20          HG2       GLU  20  10.295  -5.216   7.377
  169   2HG   GLU  20          HG1       GLU  20   9.827  -5.421   5.692
  170    H    ALA  21           HN       ALA  21  10.627  -2.353   2.465
  171    HA   ALA  21           HA       ALA  21  10.975  -5.117   1.352
  172   1HB   ALA  21          HB1       ALA  21   9.228  -4.755  -0.093
  173   2HB   ALA  21          HB2       ALA  21   9.607  -3.042  -0.275
  174   3HB   ALA  21          HB3       ALA  21   8.722  -3.604   1.144
  175    H    VAL  22           HN       VAL  22  12.527  -5.271  -0.287
  176    HA   VAL  22           HA       VAL  22  14.594  -3.313  -0.465
  177    HB   VAL  22           HB       VAL  22  14.839  -5.720  -0.954
  178   1HG1  VAL  22          HG11      VAL  22  12.503  -5.587  -2.258
  179   2HG1  VAL  22          HG12      VAL  22  13.699  -6.830  -2.621
  180   3HG1  VAL  22          HG13      VAL  22  13.580  -5.396  -3.641
  181   1HG2  VAL  22          HG21      VAL  22  16.510  -4.270  -1.933
  182   2HG2  VAL  22          HG22      VAL  22  15.439  -3.862  -3.273
  183   3HG2  VAL  22          HG23      VAL  22  16.092  -5.494  -3.132
  184    H    ASP  23           HN       ASP  23  11.645  -3.774  -2.335
  185    HA   ASP  23           HA       ASP  23  11.771  -1.088  -3.425
  186   1HB   ASP  23          HB2       ASP  23  12.003  -1.854  -5.814
  187   2HB   ASP  23          HB1       ASP  23  13.453  -2.102  -4.848
  188    H    ALA  24           HN       ALA  24   9.965  -0.902  -5.218
  189    HA   ALA  24           HA       ALA  24   7.467  -1.597  -4.143
  190   1HB   ALA  24          HB1       ALA  24   7.692   0.153  -5.761
  191   2HB   ALA  24          HB2       ALA  24   6.695  -1.084  -6.526
  192   3HB   ALA  24          HB3       ALA  24   8.403  -0.946  -6.944
  193    H    ALA  25           HN       ALA  25   9.603  -3.501  -6.164
  194    HA   ALA  25           HA       ALA  25   7.766  -5.387  -7.256
  195   1HB   ALA  25          HB1       ALA  25  10.437  -6.315  -6.328
  196   2HB   ALA  25          HB2       ALA  25  10.428  -4.910  -7.393
  197   3HB   ALA  25          HB3       ALA  25   9.704  -6.426  -7.928
  198    H    THR  26           HN       THR  26   9.096  -5.065  -4.016
  199    HA   THR  26           HA       THR  26   7.796  -7.648  -3.221
  200    HB   THR  26           HB       THR  26   9.840  -6.056  -1.665
  201    HG1  THR  26           HG1      THR  26  10.989  -6.413  -3.424
  202   1HG2  THR  26          HG21      THR  26  10.138  -8.001  -0.438
  203   2HG2  THR  26          HG22      THR  26   9.617  -9.040  -1.764
  204   3HG2  THR  26          HG23      THR  26   8.424  -8.131  -0.835
  205    H    ALA  27           HN       ALA  27   7.950  -4.186  -2.616
  206    HA   ALA  27           HA       ALA  27   6.593  -4.032  -0.115
  207   1HB   ALA  27          HB1       ALA  27   6.082  -2.027  -2.275
  208   2HB   ALA  27          HB2       ALA  27   7.754  -2.292  -1.782
  209   3HB   ALA  27          HB3       ALA  27   6.559  -1.765  -0.597
  210    H    GLU  28           HN       GLU  28   5.254  -3.875  -3.433
  211    HA   GLU  28           HA       GLU  28   2.496  -3.656  -2.736
  212   1HB   GLU  28          HB2       GLU  28   3.651  -3.365  -4.985
  213   2HB   GLU  28          HB1       GLU  28   3.693  -5.124  -5.106
  214   1HG   GLU  28          HG2       GLU  28   1.103  -4.857  -4.515
  215   2HG   GLU  28          HG1       GLU  28   1.355  -3.271  -5.244
  216    H    LYS  29           HN       LYS  29   4.543  -6.547  -3.203
  217    HA   LYS  29           HA       LYS  29   2.539  -8.551  -3.036
  218   1HB   LYS  29          HB2       LYS  29   5.410  -8.483  -2.051
  219   2HB   LYS  29          HB1       LYS  29   4.463  -9.958  -2.252
  220   1HG   LYS  29          HG2       LYS  29   4.068  -8.909  -4.684
  221   2HG   LYS  29          HG1       LYS  29   5.620  -8.151  -4.324
  222   1HD   LYS  29          HD2       LYS  29   6.686 -10.269  -4.001
  223   2HD   LYS  29          HD1       LYS  29   5.140 -11.119  -3.989
  224   1HE   LYS  29          HE2       LYS  29   4.804 -10.749  -6.331
  225   2HE   LYS  29          HE1       LYS  29   6.123  -9.563  -6.401
  226   1HZ   LYS  29          HZ1       LYS  29   6.973 -11.652  -7.154
  227   2HZ   LYS  29          HZ2       LYS  29   6.355 -12.462  -5.795
  228   3HZ   LYS  29          HZ3       LYS  29   7.629 -11.352  -5.618
  229    H    VAL  30           HN       VAL  30   4.189  -6.741  -0.471
  230    HA   VAL  30           HA       VAL  30   2.931  -8.300   1.686
  231    HB   VAL  30           HB       VAL  30   4.592  -5.754   1.610
  232   1HG1  VAL  30          HG11      VAL  30   5.041  -6.582   4.059
  233   2HG1  VAL  30          HG12      VAL  30   3.507  -7.430   3.861
  234   3HG1  VAL  30          HG13      VAL  30   3.568  -5.673   3.715
  235   1HG2  VAL  30          HG21      VAL  30   5.481  -8.131   0.835
  236   2HG2  VAL  30          HG22      VAL  30   5.569  -8.421   2.572
  237   3HG2  VAL  30          HG23      VAL  30   6.478  -7.092   1.853
  238    H    PHE  31           HN       PHE  31   2.715  -4.946   0.439
  239    HA   PHE  31           HA       PHE  31   0.593  -4.114   2.190
  240   1HB   PHE  31          HB2       PHE  31   1.823  -3.196  -0.391
  241   2HB   PHE  31          HB1       PHE  31   0.341  -2.421   0.168
  242    HD1  PHE  31           HD1      PHE  31   0.537  -2.242   3.014
  243    HD2  PHE  31           HD2      PHE  31   3.671  -1.866   0.101
  244    HE1  PHE  31           HE1      PHE  31   1.853  -0.873   4.608
  245    HE2  PHE  31           HE2      PHE  31   4.986  -0.499   1.697
  246    HZ   PHE  31           HZ       PHE  31   4.079  -0.003   3.949
  247    H    LYS  32           HN       LYS  32   0.604  -5.606  -1.039
  248    HA   LYS  32           HA       LYS  32  -2.189  -5.309  -1.604
  249   1HB   LYS  32          HB2       LYS  32  -0.406  -5.945  -3.225
  250   2HB   LYS  32          HB1       LYS  32  -0.246  -7.502  -2.410
  251   1HG   LYS  32          HG2       LYS  32  -1.717  -8.035  -4.143
  252   2HG   LYS  32          HG1       LYS  32  -2.837  -7.669  -2.830
  253   1HD   LYS  32          HD2       LYS  32  -2.680  -5.214  -3.756
  254   2HD   LYS  32          HD1       LYS  32  -2.134  -6.010  -5.233
  255   1HE   LYS  32          HE2       LYS  32  -4.223  -7.530  -4.950
  256   2HE   LYS  32          HE1       LYS  32  -4.799  -6.274  -3.836
  257   1HZ   LYS  32          HZ1       LYS  32  -3.778  -5.726  -6.571
  258   2HZ   LYS  32          HZ2       LYS  32  -4.512  -4.619  -5.510
  259   3HZ   LYS  32          HZ3       LYS  32  -5.425  -5.877  -6.196
  260    H    GLN  33           HN       GLN  33  -0.339  -7.939  -0.044
  261    HA   GLN  33           HA       GLN  33  -2.513  -9.723   0.435
  262   1HB   GLN  33          HB2       GLN  33  -0.088 -10.248   0.626
  263   2HB   GLN  33          HB1       GLN  33   0.001  -9.221   2.058
  264   1HG   GLN  33          HG2       GLN  33  -0.264 -11.419   2.915
  265   2HG   GLN  33          HG1       GLN  33  -1.872 -10.701   3.023
  266   1HE2  GLN  33          HE21      GLN  33  -3.451 -12.133   2.314
  267   2HE2  GLN  33          HE22      GLN  33  -3.259 -13.258   1.057
  268    H    TYR  34           HN       TYR  34  -1.375  -6.902   2.130
  269    HA   TYR  34           HA       TYR  34  -2.944  -7.238   4.548
  270   1HB   TYR  34          HB2       TYR  34  -1.071  -5.825   4.723
  271   2HB   TYR  34          HB1       TYR  34  -1.367  -5.073   3.160
  272    HD1  TYR  34           HD1      TYR  34  -2.803  -3.155   2.949
  273    HD2  TYR  34           HD2      TYR  34  -2.428  -5.196   6.704
  274    HE1  TYR  34           HE1      TYR  34  -3.967  -1.279   4.074
  275    HE2  TYR  34           HE2      TYR  34  -3.594  -3.319   7.841
  276    HH   TYR  34           HH       TYR  34  -3.935  -0.814   7.367
  277    H    ALA  35           HN       ALA  35  -3.315  -5.035   1.744
  278    HA   ALA  35           HA       ALA  35  -5.948  -4.122   2.388
  279   1HB   ALA  35          HB1       ALA  35  -4.867  -2.811   0.813
  280   2HB   ALA  35          HB2       ALA  35  -5.825  -3.814  -0.277
  281   3HB   ALA  35          HB3       ALA  35  -4.129  -4.204   0.016
  282    H    ASN  36           HN       ASN  36  -4.858  -6.711   0.167
  283    HA   ASN  36           HA       ASN  36  -7.348  -7.565  -0.815
  284   1HB   ASN  36          HB2       ASN  36  -4.972  -8.259  -1.445
  285   2HB   ASN  36          HB1       ASN  36  -5.032  -9.365  -0.073
  286   1HD2  ASN  36          HD21      ASN  36  -5.332 -11.412  -1.004
  287   2HD2  ASN  36          HD22      ASN  36  -6.539 -11.785  -2.137
  288    H    ASP  37           HN       ASP  37  -5.787  -8.272   2.275
  289    HA   ASP  37           HA       ASP  37  -7.583 -10.391   3.097
  290   1HB   ASP  37          HB2       ASP  37  -5.497  -8.616   4.285
  291   2HB   ASP  37          HB1       ASP  37  -6.601  -9.415   5.405
  292    H    ASN  38           HN       ASN  38  -7.398  -6.913   3.936
  293    HA   ASN  38           HA       ASN  38  -9.852  -6.910   5.482
  294   1HB   ASN  38          HB2       ASN  38  -8.060  -4.826   4.218
  295   2HB   ASN  38          HB1       ASN  38  -9.516  -4.373   5.105
  296   1HD2  ASN  38          HD21      ASN  38  -6.243  -4.768   5.540
  297   2HD2  ASN  38          HD22      ASN  38  -6.223  -5.140   7.196
  298    H    GLY  39           HN       GLY  39  -9.032  -5.833   2.168
  299   1HA   GLY  39          HA2       GLY  39 -10.792  -6.491   0.445
  300   2HA   GLY  39          HA1       GLY  39 -11.961  -5.787   1.562
  301    H    ILE  40           HN       ILE  40  -8.745  -4.558   0.615
  302    HA   ILE  40           HA       ILE  40 -10.082  -2.012  -0.207
  303    HB   ILE  40           HB       ILE  40  -7.236  -2.678   0.621
  304   1HG1  ILE  40          HG12      ILE  40  -9.437  -1.129   2.028
  305   2HG1  ILE  40          HG11      ILE  40  -8.958  -2.780   2.421
  306   1HG2  ILE  40          HG21      ILE  40  -7.159  -0.083   0.786
  307   2HG2  ILE  40          HG22      ILE  40  -8.558  -0.116  -0.286
  308   3HG2  ILE  40          HG23      ILE  40  -7.020  -0.801  -0.822
  309   1HD1  ILE  40          HD11      ILE  40  -7.925  -0.601   3.657
  310   2HD1  ILE  40          HD12      ILE  40  -6.761  -0.785   2.344
  311   3HD1  ILE  40          HD13      ILE  40  -7.037  -2.114   3.470
  312    H    ASP  41           HN       ASP  41 -10.576  -3.326  -2.278
  313    HA   ASP  41           HA       ASP  41  -8.250  -3.579  -4.119
  314   1HB   ASP  41          HB2       ASP  41 -10.110  -5.313  -3.800
  315   2HB   ASP  41          HB1       ASP  41 -11.185  -4.168  -4.603
  316    H    GLY  42           HN       GLY  42  -8.789  -0.951  -3.341
  317   1HA   GLY  42          HA2       GLY  42 -10.613   0.431  -5.086
  318   2HA   GLY  42          HA1       GLY  42  -9.324   1.170  -4.136
  319    H    GLU  43           HN       GLU  43  -8.298   2.430  -5.591
  320    HA   GLU  43           HA       GLU  43  -7.359   1.191  -8.114
  321   1HB   GLU  43          HB2       GLU  43  -8.100   4.019  -7.336
  322   2HB   GLU  43          HB1       GLU  43  -7.251   3.648  -8.837
  323   1HG   GLU  43          HG2       GLU  43  -9.253   1.856  -9.028
  324   2HG   GLU  43          HG1       GLU  43 -10.071   3.089  -8.068
  325    H    TRP  44           HN       TRP  44  -5.334   0.467  -7.517
  326    HA   TRP  44           HA       TRP  44  -3.651   1.829  -5.650
  327   1HB   TRP  44          HB2       TRP  44  -3.322  -0.430  -7.604
  328   2HB   TRP  44          HB1       TRP  44  -1.981   0.123  -6.591
  329    HD1  TRP  44           HD1      TRP  44  -5.666  -0.968  -6.172
  330    HE1  TRP  44           HE1      TRP  44  -5.893  -2.142  -3.886
  331    HE3  TRP  44           HE3      TRP  44  -0.902  -0.419  -4.421
  332    HZ2  TRP  44           HZ2      TRP  44  -4.272  -2.745  -1.616
  333    HZ3  TRP  44           HZ3      TRP  44  -0.270  -1.302  -2.194
  334    HH2  TRP  44           HH2      TRP  44  -1.947  -2.470  -0.790
  335    H    THR  45           HN       THR  45  -1.923   3.112  -5.943
  336    HA   THR  45           HA       THR  45  -0.897   3.751  -8.638
  337    HB   THR  45           HB       THR  45  -1.214   6.250  -7.906
  338    HG1  THR  45           HG1      THR  45  -2.982   6.540  -6.558
  339   1HG2  THR  45          HG21      THR  45  -3.645   4.626  -8.700
  340   2HG2  THR  45          HG22      THR  45  -2.356   5.091  -9.811
  341   3HG2  THR  45          HG23      THR  45  -3.353   6.330  -9.048
  342    H    TYR  46           HN       TYR  46   1.287   4.069  -8.446
  343    HA   TYR  46           HA       TYR  46   2.420   4.174  -5.691
  344   1HB   TYR  46          HB2       TYR  46   3.077   2.298  -7.049
  345   2HB   TYR  46          HB1       TYR  46   3.396   3.327  -8.438
  346    HD1  TYR  46           HD1      TYR  46   4.557   2.667  -4.929
  347    HD2  TYR  46           HD2      TYR  46   5.554   4.130  -8.843
  348    HE1  TYR  46           HE1      TYR  46   6.932   2.834  -4.260
  349    HE2  TYR  46           HE2      TYR  46   7.932   4.304  -8.172
  350    HH   TYR  46           HH       TYR  46   9.242   2.780  -5.660
  351    H    ASP  47           HN       ASP  47   2.781   6.286  -5.086
  352    HA   ASP  47           HA       ASP  47   3.457   8.384  -7.025
  353   1HB   ASP  47          HB2       ASP  47   2.793   8.092  -4.139
  354   2HB   ASP  47          HB1       ASP  47   3.767   9.496  -4.574
  355    H    ASP  48           HN       ASP  48   5.530   8.318  -7.824
  356    HA   ASP  48           HA       ASP  48   7.797   7.195  -6.450
  357   1HB   ASP  48          HB2       ASP  48   9.027   8.228  -8.347
  358   2HB   ASP  48          HB1       ASP  48   7.574   7.389  -8.892
  359    H    ALA  49           HN       ALA  49   6.294  10.342  -6.303
  360    HA   ALA  49           HA       ALA  49   8.404  12.051  -5.617
  361   1HB   ALA  49          HB1       ALA  49   5.585  11.880  -4.513
  362   2HB   ALA  49          HB2       ALA  49   6.078  12.738  -5.972
  363   3HB   ALA  49          HB3       ALA  49   6.626  13.299  -4.393
  364    H    THR  50           HN       THR  50   6.580   9.841  -3.489
  365    HA   THR  50           HA       THR  50   8.824   9.985  -1.520
  366    HB   THR  50           HB       THR  50   7.126  10.255   0.276
  367    HG1  THR  50           HG1      THR  50   5.134   9.908  -0.216
  368   1HG2  THR  50          HG21      THR  50   6.563  12.589  -0.193
  369   2HG2  THR  50          HG22      THR  50   6.870  12.339  -1.911
  370   3HG2  THR  50          HG23      THR  50   8.200  12.247  -0.755
  371    H    LYS  51           HN       LYS  51   7.462   7.955  -3.515
  372    HA   LYS  51           HA       LYS  51   6.951   5.651  -3.539
  373   1HB   LYS  51          HB2       LYS  51   9.171   6.253  -1.793
  374   2HB   LYS  51          HB1       LYS  51   8.300   4.857  -1.159
  375   1HG   LYS  51          HG2       LYS  51   9.693   3.785  -2.656
  376   2HG   LYS  51          HG1       LYS  51   8.327   4.130  -3.720
  377   1HD   LYS  51          HD2       LYS  51   9.469   5.730  -4.893
  378   2HD   LYS  51          HD1       LYS  51  10.348   6.291  -3.470
  379   1HE   LYS  51          HE2       LYS  51  10.960   3.560  -4.578
  380   2HE   LYS  51          HE1       LYS  51  11.666   4.997  -5.346
  381   1HZ   LYS  51          HZ1       LYS  51  13.025   4.122  -3.486
  382   2HZ   LYS  51          HZ2       LYS  51  11.740   4.455  -2.426
  383   3HZ   LYS  51          HZ3       LYS  51  12.518   5.723  -3.247
  384    H    THR  52           HN       THR  52   4.668   5.814  -3.050
  385    HA   THR  52           HA       THR  52   3.958   4.648  -0.432
  386    HB   THR  52           HB       THR  52   2.908   7.341  -1.355
  387    HG1  THR  52           HG1      THR  52   4.185   8.171   0.241
  388   1HG2  THR  52          HG21      THR  52   1.806   7.404   0.822
  389   2HG2  THR  52          HG22      THR  52   2.500   5.838   1.244
  390   3HG2  THR  52          HG23      THR  52   1.306   5.953  -0.048
  391    H    PHE  53           HN       PHE  53   2.782   2.937  -1.258
  392    HA   PHE  53           HA       PHE  53   1.247   2.924  -3.675
  393   1HB   PHE  53          HB2       PHE  53   1.089   1.324  -1.097
  394   2HB   PHE  53          HB1       PHE  53   0.201   0.898  -2.560
  395    HD1  PHE  53           HD1      PHE  53   1.359   0.092  -4.555
  396    HD2  PHE  53           HD2      PHE  53   3.526   1.118  -0.991
  397    HE1  PHE  53           HE1      PHE  53   3.364  -1.068  -5.440
  398    HE2  PHE  53           HE2      PHE  53   5.531  -0.040  -1.874
  399    HZ   PHE  53           HZ       PHE  53   5.449  -1.136  -4.101
  400    H    THR  54           HN       THR  54  -0.651   4.034  -4.073
  401    HA   THR  54           HA       THR  54  -2.263   4.883  -1.679
  402    HB   THR  54           HB       THR  54  -2.019   6.105  -4.439
  403    HG1  THR  54           HG1      THR  54  -0.839   6.765  -1.950
  404   1HG2  THR  54          HG21      THR  54  -3.348   7.858  -3.682
  405   2HG2  THR  54          HG22      THR  54  -3.007   7.517  -1.986
  406   3HG2  THR  54          HG23      THR  54  -4.114   6.482  -2.888
  407    H    VAL  55           HN       VAL  55  -3.766   3.083  -1.621
  408    HA   VAL  55           HA       VAL  55  -5.380   2.596  -4.037
  409    HB   VAL  55           HB       VAL  55  -4.480   0.670  -2.696
  410   1HG1  VAL  55          HG11      VAL  55  -6.498   1.501  -0.623
  411   2HG1  VAL  55          HG12      VAL  55  -4.775   1.854  -0.469
  412   3HG1  VAL  55          HG13      VAL  55  -5.330   0.177  -0.516
  413   1HG2  VAL  55          HG21      VAL  55  -7.491   0.827  -2.584
  414   2HG2  VAL  55          HG22      VAL  55  -6.502  -0.622  -2.747
  415   3HG2  VAL  55          HG23      VAL  55  -6.587   0.540  -4.071
  416    H    THR  56           HN       THR  56  -7.809   2.479  -3.641
  417    HA   THR  56           HA       THR  56  -8.898   4.092  -1.441
  418    HB   THR  56           HB       THR  56  -8.862   4.995  -4.335
  419    HG1  THR  56           HG1      THR  56  -7.044   5.760  -3.603
  420   1HG2  THR  56          HG21      THR  56 -10.833   5.495  -2.412
  421   2HG2  THR  56          HG22      THR  56 -10.552   6.426  -3.883
  422   3HG2  THR  56          HG23      THR  56  -9.806   6.928  -2.367
  423    H    GLU  57           HN       GLU  57 -10.527   2.627  -0.968
  424    HA   GLU  57           HA       GLU  57 -12.276   1.703  -3.227
  425   1HB   GLU  57          HB2       GLU  57 -10.799   0.046  -1.939
  426   2HB   GLU  57          HB1       GLU  57 -11.841   0.356  -0.550
  427   1HG   GLU  57          HG2       GLU  57 -13.171  -0.297  -3.140
  428   2HG   GLU  57          HG1       GLU  57 -12.363  -1.614  -2.288
  Start of MODEL    2
    1   1H    MET   1          HT1       MET   1  17.342  -2.447   4.709
    2   2H    MET   1          HT2       MET   1  15.973  -1.649   5.323
    3   3H    MET   1          HT3       MET   1  17.154  -0.779   4.464
    4    HA   MET   1           HA       MET   1  16.622  -2.140   2.460
    5   1HB   MET   1          HB2       MET   1  14.853  -3.261   4.588
    6   2HB   MET   1          HB1       MET   1  14.192  -3.185   2.954
    7   1HG   MET   1          HG2       MET   1  16.145  -4.414   2.095
    8   2HG   MET   1          HG1       MET   1  16.827  -4.478   3.720
    9   1HE   MET   1          HE1       MET   1  15.842  -5.196   5.589
   10   2HE   MET   1          HE2       MET   1  15.225  -6.842   5.699
   11   3HE   MET   1          HE3       MET   1  14.100  -5.486   5.693
   12    H    THR   2           HN       THR   2  14.209  -1.758   1.384
   13    HA   THR   2           HA       THR   2  13.789   1.137   1.548
   14    HB   THR   2           HB       THR   2  12.240  -0.992   0.041
   15    HG1  THR   2           HG1      THR   2  13.822  -1.021  -1.384
   16   1HG2  THR   2          HG21      THR   2  12.622   1.986  -0.253
   17   2HG2  THR   2          HG22      THR   2  11.112   1.081  -0.144
   18   3HG2  THR   2          HG23      THR   2  12.097   0.983  -1.605
   19    H    THR   3           HN       THR   3  11.918   2.166   2.356
   20    HA   THR   3           HA       THR   3  10.079   0.467   3.943
   21    HB   THR   3           HB       THR   3  10.790   3.359   4.432
   22    HG1  THR   3           HG1      THR   3  12.702   2.376   4.652
   23   1HG2  THR   3          HG21      THR   3   9.857   3.028   6.572
   24   2HG2  THR   3          HG22      THR   3   9.946   1.272   6.435
   25   3HG2  THR   3          HG23      THR   3   8.753   2.170   5.496
   26    H    PHE   4           HN       PHE   4   8.505   0.290   2.233
   27    HA   PHE   4           HA       PHE   4   7.453   2.685   0.910
   28   1HB   PHE   4          HB2       PHE   4   6.573  -0.217   1.042
   29   2HB   PHE   4          HB1       PHE   4   5.877   0.983  -0.044
   30    HD1  PHE   4           HD1      PHE   4   7.252   1.988  -1.854
   31    HD2  PHE   4           HD2      PHE   4   8.748  -1.167   0.649
   32    HE1  PHE   4           HE1      PHE   4   9.081   1.563  -3.476
   33    HE2  PHE   4           HE2      PHE   4  10.575  -1.588  -0.973
   34    HZ   PHE   4           HZ       PHE   4  10.739  -0.222  -3.036
   35    H    LYS   5           HN       LYS   5   5.010   3.095   1.037
   36    HA   LYS   5           HA       LYS   5   3.806   2.430   3.683
   37   1HB   LYS   5          HB2       LYS   5   5.132   4.512   3.911
   38   2HB   LYS   5          HB1       LYS   5   4.229   5.225   2.576
   39   1HG   LYS   5          HG2       LYS   5   2.122   4.663   3.996
   40   2HG   LYS   5          HG1       LYS   5   3.258   4.518   5.338
   41   1HD   LYS   5          HD2       LYS   5   3.745   6.765   5.352
   42   2HD   LYS   5          HD1       LYS   5   3.510   6.933   3.612
   43   1HE   LYS   5          HE2       LYS   5   0.967   6.281   4.439
   44   2HE   LYS   5          HE1       LYS   5   1.557   7.263   5.796
   45   1HZ   LYS   5          HZ1       LYS   5   0.719   8.755   4.160
   46   2HZ   LYS   5          HZ2       LYS   5   1.576   7.981   2.915
   47   3HZ   LYS   5          HZ3       LYS   5   2.411   8.860   4.106
   48    H    LEU   6           HN       LEU   6   1.826   1.604   3.108
   49    HA   LEU   6           HA       LEU   6   0.472   2.566   0.647
   50   1HB   LEU   6          HB2       LEU   6   0.698   0.159   1.046
   51   2HB   LEU   6          HB1       LEU   6  -0.081   0.322   2.619
   52    HG   LEU   6           HG       LEU   6  -2.113   1.250   1.372
   53   1HD1  LEU   6          HD11      LEU   6  -1.215   1.843  -0.743
   54   2HD1  LEU   6          HD12      LEU   6  -2.185   0.404  -1.055
   55   3HD1  LEU   6          HD13      LEU   6  -0.428   0.277  -0.937
   56   1HD2  LEU   6          HD21      LEU   6  -1.102  -1.557   1.308
   57   2HD2  LEU   6          HD22      LEU   6  -2.543  -1.195   0.357
   58   3HD2  LEU   6          HD23      LEU   6  -2.538  -0.897   2.096
   59    H    ILE   7           HN       ILE   7  -1.156   4.063   0.768
   60    HA   ILE   7           HA       ILE   7  -2.097   5.045   3.354
   61    HB   ILE   7           HB       ILE   7  -1.680   6.205   0.993
   62   1HG1  ILE   7          HG12      ILE   7  -3.590   7.863   1.674
   63   2HG1  ILE   7          HG11      ILE   7  -3.732   6.818   3.085
   64   1HG2  ILE   7          HG21      ILE   7  -4.652   5.700   0.787
   65   2HG2  ILE   7          HG22      ILE   7  -3.466   4.751  -0.108
   66   3HG2  ILE   7          HG23      ILE   7  -3.599   6.486  -0.388
   67   1HD1  ILE   7          HD11      ILE   7  -0.990   7.677   2.288
   68   2HD1  ILE   7          HD12      ILE   7  -1.655   7.395   3.897
   69   3HD1  ILE   7          HD13      ILE   7  -2.034   8.886   3.035
   70    H    ILE   8           HN       ILE   8  -4.618   5.161   3.676
   71    HA   ILE   8           HA       ILE   8  -5.863   2.608   2.711
   72    HB   ILE   8           HB       ILE   8  -5.960   3.841   5.487
   73   1HG1  ILE   8          HG12      ILE   8  -4.643   1.265   4.578
   74   2HG1  ILE   8          HG11      ILE   8  -3.767   2.780   4.792
   75   1HG2  ILE   8          HG21      ILE   8  -6.978   1.554   6.014
   76   2HG2  ILE   8          HG22      ILE   8  -7.193   1.360   4.275
   77   3HG2  ILE   8          HG23      ILE   8  -8.009   2.673   5.124
   78   1HD1  ILE   8          HD11      ILE   8  -5.163   1.112   6.883
   79   2HD1  ILE   8          HD12      ILE   8  -4.793   2.813   7.165
   80   3HD1  ILE   8          HD13      ILE   8  -3.489   1.666   6.859
   81    H    ASN   9           HN       ASN   9  -6.750   4.364   1.128
   82    HA   ASN   9           HA       ASN   9  -8.938   5.990   2.326
   83   1HB   ASN   9          HB2       ASN   9  -7.247   5.997  -0.094
   84   2HB   ASN   9          HB1       ASN   9  -8.931   6.417  -0.401
   85   1HD2  ASN   9          HD21      ASN   9  -6.517   8.220  -0.418
   86   2HD2  ASN   9          HD22      ASN   9  -6.857   9.436   0.716
   87    H    GLY  10           HN       GLY  10  -9.380   3.275   2.540
   88   1HA   GLY  10          HA2       GLY  10 -11.134   2.483   0.281
   89   2HA   GLY  10          HA1       GLY  10 -10.614   1.430   1.598
   90    H    LYS  11           HN       LYS  11 -13.281   1.494   0.920
   91    HA   LYS  11           HA       LYS  11 -14.746   3.375   2.631
   92   1HB   LYS  11          HB2       LYS  11 -15.444   2.377   0.386
   93   2HB   LYS  11          HB1       LYS  11 -15.727   0.867   1.250
   94   1HG   LYS  11          HG2       LYS  11 -17.581   1.674   2.334
   95   2HG   LYS  11          HG1       LYS  11 -16.935   3.313   2.433
   96   1HD   LYS  11          HD2       LYS  11 -17.478   3.759   0.138
   97   2HD   LYS  11          HD1       LYS  11 -17.854   2.063  -0.166
   98   1HE   LYS  11          HE2       LYS  11 -19.944   2.229   0.767
   99   2HE   LYS  11          HE1       LYS  11 -19.397   3.354   2.027
  100   1HZ   LYS  11          HZ1       LYS  11 -20.761   4.511   0.404
  101   2HZ   LYS  11          HZ2       LYS  11 -19.743   3.997  -0.856
  102   3HZ   LYS  11          HZ3       LYS  11 -19.161   5.070   0.327
  103    H    THR  12           HN       THR  12 -12.907   0.707   3.411
  104    HA   THR  12           HA       THR  12 -14.777  -0.142   5.596
  105    HB   THR  12           HB       THR  12 -12.466  -1.627   4.306
  106    HG1  THR  12           HG1      THR  12 -13.996  -1.517   2.776
  107   1HG2  THR  12          HG21      THR  12 -12.906  -2.462   6.521
  108   2HG2  THR  12          HG22      THR  12 -13.631  -3.594   5.379
  109   3HG2  THR  12          HG23      THR  12 -14.648  -2.439   6.240
  110    H    LEU  13           HN       LEU  13 -11.490   0.901   4.787
  111    HA   LEU  13           HA       LEU  13 -10.922   1.137   7.728
  112   1HB   LEU  13          HB2       LEU  13  -9.251   0.141   5.416
  113   2HB   LEU  13          HB1       LEU  13  -8.510   0.674   6.926
  114    HG   LEU  13           HG       LEU  13 -10.686  -1.427   6.769
  115   1HD1  LEU  13          HD11      LEU  13  -8.866  -3.048   7.184
  116   2HD1  LEU  13          HD12      LEU  13  -7.682  -1.747   7.059
  117   3HD1  LEU  13          HD13      LEU  13  -8.636  -2.212   5.649
  118   1HD2  LEU  13          HD21      LEU  13 -10.669  -0.456   8.938
  119   2HD2  LEU  13          HD22      LEU  13  -8.909  -0.331   8.956
  120   3HD2  LEU  13          HD23      LEU  13  -9.683  -1.910   9.097
  121    H    LYS  14           HN       LYS  14  -9.025   2.731   8.067
  122    HA   LYS  14           HA       LYS  14  -8.769   4.853   6.024
  123   1HB   LYS  14          HB2       LYS  14 -10.577   4.914   8.340
  124   2HB   LYS  14          HB1       LYS  14  -9.485   6.297   8.291
  125   1HG   LYS  14          HG2       LYS  14 -11.027   5.413   5.850
  126   2HG   LYS  14          HG1       LYS  14 -11.717   6.530   7.028
  127   1HD   LYS  14          HD2       LYS  14  -9.659   7.969   6.736
  128   2HD   LYS  14          HD1       LYS  14  -9.194   6.918   5.397
  129   1HE   LYS  14          HE2       LYS  14 -10.405   8.434   4.159
  130   2HE   LYS  14          HE1       LYS  14 -11.788   7.476   4.725
  131   1HZ   LYS  14          HZ1       LYS  14 -11.979   9.889   5.229
  132   2HZ   LYS  14          HZ2       LYS  14 -10.616   9.751   6.233
  133   3HZ   LYS  14          HZ3       LYS  14 -12.038   8.900   6.606
  134    H    GLY  15           HN       GLY  15  -6.716   5.698   6.178
  135   1HA   GLY  15          HA2       GLY  15  -5.131   6.716   7.965
  136   2HA   GLY  15          HA1       GLY  15  -5.149   5.087   8.640
  137    H    GLU  16           HN       GLU  16  -3.034   4.469   8.239
  138    HA   GLU  16           HA       GLU  16  -2.303   4.048   5.386
  139   1HB   GLU  16          HB2       GLU  16  -0.081   5.104   5.825
  140   2HB   GLU  16          HB1       GLU  16  -1.411   6.249   5.995
  141   1HG   GLU  16          HG2       GLU  16  -1.087   6.495   8.241
  142   2HG   GLU  16          HG1       GLU  16  -0.688   4.793   8.471
  143    H    THR  17           HN       THR  17  -0.033   2.838   5.413
  144    HA   THR  17           HA       THR  17   0.328   1.096   7.785
  145    HB   THR  17           HB       THR  17  -0.293  -0.014   5.032
  146    HG1  THR  17           HG1      THR  17  -1.970   0.168   7.309
  147   1HG2  THR  17          HG21      THR  17  -0.352  -1.370   7.736
  148   2HG2  THR  17          HG22      THR  17   1.066  -1.379   6.687
  149   3HG2  THR  17          HG23      THR  17  -0.435  -2.132   6.147
  150    H    THR  18           HN       THR  18   2.502   0.754   8.024
  151    HA   THR  18           HA       THR  18   4.273   1.155   5.635
  152    HB   THR  18           HB       THR  18   5.954   1.765   7.430
  153    HG1  THR  18           HG1      THR  18   5.396   1.349   9.391
  154   1HG2  THR  18          HG21      THR  18   4.936   3.603   6.355
  155   2HG2  THR  18          HG22      THR  18   4.677   3.920   8.070
  156   3HG2  THR  18          HG23      THR  18   3.366   3.271   7.084
  157    H    THR  19           HN       THR  19   6.136  -0.269   5.481
  158    HA   THR  19           HA       THR  19   6.376  -2.572   7.291
  159    HB   THR  19           HB       THR  19   4.456  -3.175   5.873
  160    HG1  THR  19           HG1      THR  19   5.317  -5.065   5.972
  161   1HG2  THR  19          HG21      THR  19   4.411  -2.978   3.581
  162   2HG2  THR  19          HG22      THR  19   6.146  -3.248   3.418
  163   3HG2  THR  19          HG23      THR  19   5.544  -1.674   3.933
  164    H    GLU  20           HN       GLU  20   8.329  -3.778   6.869
  165    HA   GLU  20           HA       GLU  20  10.394  -2.233   5.439
  166   1HB   GLU  20          HB2       GLU  20  10.453  -3.452   7.758
  167   2HB   GLU  20          HB1       GLU  20  10.752  -4.900   6.794
  168   1HG   GLU  20          HG2       GLU  20  12.652  -3.683   5.682
  169   2HG   GLU  20          HG1       GLU  20  12.409  -2.363   6.826
  170    H    ALA  21           HN       ALA  21  10.537  -2.576   3.253
  171    HA   ALA  21           HA       ALA  21  10.471  -5.407   2.265
  172   1HB   ALA  21          HB1       ALA  21   8.943  -4.816   0.614
  173   2HB   ALA  21          HB2       ALA  21   9.461  -3.131   0.598
  174   3HB   ALA  21          HB3       ALA  21   8.435  -3.725   1.903
  175    H    VAL  22           HN       VAL  22  11.960  -5.836   0.575
  176    HA   VAL  22           HA       VAL  22  14.346  -4.250   0.467
  177    HB   VAL  22           HB       VAL  22  14.206  -6.684   0.047
  178   1HG1  VAL  22          HG11      VAL  22  13.128  -6.183  -2.701
  179   2HG1  VAL  22          HG12      VAL  22  11.991  -6.258  -1.357
  180   3HG1  VAL  22          HG13      VAL  22  13.030  -7.637  -1.708
  181   1HG2  VAL  22          HG21      VAL  22  15.690  -6.757  -1.907
  182   2HG2  VAL  22          HG22      VAL  22  16.093  -5.373  -0.892
  183   3HG2  VAL  22          HG23      VAL  22  15.174  -5.137  -2.378
  184    H    ASP  23           HN       ASP  23  11.462  -4.356  -1.585
  185    HA   ASP  23           HA       ASP  23  11.995  -1.726  -2.681
  186   1HB   ASP  23          HB2       ASP  23  12.340  -2.539  -5.036
  187   2HB   ASP  23          HB1       ASP  23  13.661  -2.958  -3.950
  188    H    ALA  24           HN       ALA  24  10.429  -1.500  -4.766
  189    HA   ALA  24           HA       ALA  24   7.769  -1.723  -3.907
  190   1HB   ALA  24          HB1       ALA  24   8.505  -0.251  -5.695
  191   2HB   ALA  24          HB2       ALA  24   7.271  -1.332  -6.341
  192   3HB   ALA  24          HB3       ALA  24   8.974  -1.632  -6.686
  193    H    ALA  25           HN       ALA  25   9.785  -4.134  -5.461
  194    HA   ALA  25           HA       ALA  25   7.812  -5.876  -6.545
  195   1HB   ALA  25          HB1       ALA  25  10.462  -5.819  -6.544
  196   2HB   ALA  25          HB2       ALA  25   9.610  -7.350  -6.745
  197   3HB   ALA  25          HB3       ALA  25  10.274  -6.911  -5.172
  198    H    THR  26           HN       THR  26   9.259  -5.818  -3.272
  199    HA   THR  26           HA       THR  26   7.391  -7.915  -2.334
  200    HB   THR  26           HB       THR  26   9.506  -6.291  -0.881
  201    HG1  THR  26           HG1      THR  26  10.609  -7.362  -2.390
  202   1HG2  THR  26          HG21      THR  26   7.867  -7.469   0.563
  203   2HG2  THR  26          HG22      THR  26   9.485  -8.156   0.706
  204   3HG2  THR  26          HG23      THR  26   8.258  -8.981  -0.256
  205    H    ALA  27           HN       ALA  27   7.803  -4.427  -2.186
  206    HA   ALA  27           HA       ALA  27   6.196  -3.800   0.081
  207   1HB   ALA  27          HB1       ALA  27   6.439  -1.635  -0.704
  208   2HB   ALA  27          HB2       ALA  27   6.108  -2.096  -2.374
  209   3HB   ALA  27          HB3       ALA  27   7.691  -2.421  -1.667
  210    H    GLU  28           HN       GLU  28   5.178  -3.612  -3.357
  211    HA   GLU  28           HA       GLU  28   2.375  -3.385  -2.841
  212   1HB   GLU  28          HB2       GLU  28   3.757  -2.974  -4.977
  213   2HB   GLU  28          HB1       GLU  28   3.647  -4.715  -5.245
  214   1HG   GLU  28          HG2       GLU  28   1.285  -4.650  -5.437
  215   2HG   GLU  28          HG1       GLU  28   1.191  -3.038  -4.726
  216    H    LYS  29           HN       LYS  29   4.457  -6.232  -3.295
  217    HA   LYS  29           HA       LYS  29   2.451  -8.244  -3.486
  218   1HB   LYS  29          HB2       LYS  29   4.975  -8.385  -3.805
  219   2HB   LYS  29          HB1       LYS  29   5.112  -8.445  -2.048
  220   1HG   LYS  29          HG2       LYS  29   3.795 -10.478  -1.954
  221   2HG   LYS  29          HG1       LYS  29   3.443 -10.377  -3.680
  222   1HD   LYS  29          HD2       LYS  29   5.239 -11.764  -3.891
  223   2HD   LYS  29          HD1       LYS  29   6.176 -10.281  -3.707
  224   1HE   LYS  29          HE2       LYS  29   6.873 -10.837  -1.596
  225   2HE   LYS  29          HE1       LYS  29   5.314 -11.569  -1.170
  226   1HZ   LYS  29          HZ1       LYS  29   7.182 -13.189  -1.505
  227   2HZ   LYS  29          HZ2       LYS  29   7.178 -12.758  -3.148
  228   3HZ   LYS  29          HZ3       LYS  29   5.806 -13.479  -2.452
  229    H    VAL  30           HN       VAL  30   3.887  -6.657  -0.656
  230    HA   VAL  30           HA       VAL  30   2.391  -8.319   1.260
  231    HB   VAL  30           HB       VAL  30   4.130  -5.837   1.514
  232   1HG1  VAL  30          HG11      VAL  30   2.891  -7.677   3.566
  233   2HG1  VAL  30          HG12      VAL  30   2.816  -5.915   3.492
  234   3HG1  VAL  30          HG13      VAL  30   4.327  -6.717   3.925
  235   1HG2  VAL  30          HG21      VAL  30   5.938  -7.274   1.898
  236   2HG2  VAL  30          HG22      VAL  30   5.052  -8.134   0.640
  237   3HG2  VAL  30          HG23      VAL  30   4.896  -8.631   2.324
  238    H    PHE  31           HN       PHE  31   2.371  -4.911   0.166
  239    HA   PHE  31           HA       PHE  31   0.147  -4.079   1.791
  240   1HB   PHE  31          HB2       PHE  31   1.572  -3.093  -0.668
  241   2HB   PHE  31          HB1       PHE  31   0.107  -2.276  -0.125
  242    HD1  PHE  31           HD1      PHE  31   0.156  -2.229   2.708
  243    HD2  PHE  31           HD2      PHE  31   3.484  -1.945   0.006
  244    HE1  PHE  31           HE1      PHE  31   1.463  -1.034   4.443
  245    HE2  PHE  31           HE2      PHE  31   4.790  -0.752   1.743
  246    HZ   PHE  31           HZ       PHE  31   3.781  -0.296   3.961
  247    H    LYS  32           HN       LYS  32   0.367  -5.523  -1.445
  248    HA   LYS  32           HA       LYS  32  -2.372  -5.083  -2.219
  249   1HB   LYS  32          HB2       LYS  32  -0.497  -5.703  -3.740
  250   2HB   LYS  32          HB1       LYS  32  -0.423  -7.292  -2.978
  251   1HG   LYS  32          HG2       LYS  32  -3.099  -6.449  -3.952
  252   2HG   LYS  32          HG1       LYS  32  -1.895  -6.779  -5.198
  253   1HD   LYS  32          HD2       LYS  32  -1.463  -8.911  -3.603
  254   2HD   LYS  32          HD1       LYS  32  -3.172  -8.638  -3.259
  255   1HE   LYS  32          HE2       LYS  32  -3.829  -9.136  -5.428
  256   2HE   LYS  32          HE1       LYS  32  -2.288  -8.597  -6.126
  257   1HZ   LYS  32          HZ1       LYS  32  -1.199 -10.479  -5.030
  258   2HZ   LYS  32          HZ2       LYS  32  -2.391 -11.003  -6.123
  259   3HZ   LYS  32          HZ3       LYS  32  -2.699 -11.019  -4.452
  260    H    GLN  33           HN       GLN  33  -0.699  -7.839  -0.676
  261    HA   GLN  33           HA       GLN  33  -2.970  -9.547  -0.376
  262   1HB   GLN  33          HB2       GLN  33  -0.511 -10.092  -0.096
  263   2HB   GLN  33          HB1       GLN  33  -0.576  -9.265   1.461
  264   1HG   GLN  33          HG2       GLN  33  -0.905 -11.595   1.921
  265   2HG   GLN  33          HG1       GLN  33  -2.487 -10.830   2.076
  266   1HE2  GLN  33          HE21      GLN  33  -3.824 -12.572   1.395
  267   2HE2  GLN  33          HE22      GLN  33  -3.727 -13.276  -0.147
  268    H    TYR  34           HN       TYR  34  -1.787  -6.839   1.459
  269    HA   TYR  34           HA       TYR  34  -3.438  -7.181   3.813
  270   1HB   TYR  34          HB2       TYR  34  -1.543  -5.814   4.078
  271   2HB   TYR  34          HB1       TYR  34  -1.765  -5.032   2.518
  272    HD1  TYR  34           HD1      TYR  34  -3.094  -3.050   2.300
  273    HD2  TYR  34           HD2      TYR  34  -2.989  -5.197   6.013
  274    HE1  TYR  34           HE1      TYR  34  -4.241  -1.158   3.417
  275    HE2  TYR  34           HE2      TYR  34  -4.139  -3.305   7.141
  276    HH   TYR  34           HH       TYR  34  -5.770  -0.954   5.571
  277    H    ALA  35           HN       ALA  35  -3.693  -4.950   1.013
  278    HA   ALA  35           HA       ALA  35  -6.321  -3.982   1.620
  279   1HB   ALA  35          HB1       ALA  35  -4.444  -4.056  -0.702
  280   2HB   ALA  35          HB2       ALA  35  -5.214  -2.667   0.073
  281   3HB   ALA  35          HB3       ALA  35  -6.130  -3.671  -1.051
  282    H    ASN  36           HN       ASN  36  -5.186  -6.717  -0.355
  283    HA   ASN  36           HA       ASN  36  -7.640  -7.485  -1.531
  284   1HB   ASN  36          HB2       ASN  36  -5.338  -8.321  -2.064
  285   2HB   ASN  36          HB1       ASN  36  -5.368  -9.245  -0.561
  286   1HD2  ASN  36          HD21      ASN  36  -5.228 -10.385  -3.287
  287   2HD2  ASN  36          HD22      ASN  36  -6.617 -11.341  -3.480
  288    H    ASP  37           HN       ASP  37  -6.305  -8.144   1.677
  289    HA   ASP  37           HA       ASP  37  -8.365 -10.078   2.425
  290   1HB   ASP  37          HB2       ASP  37  -6.007  -9.949   3.307
  291   2HB   ASP  37          HB1       ASP  37  -6.452  -8.456   4.135
  292    H    ASN  38           HN       ASN  38  -7.675  -6.667   3.272
  293    HA   ASN  38           HA       ASN  38 -10.041  -6.317   4.901
  294   1HB   ASN  38          HB2       ASN  38  -8.169  -4.414   3.455
  295   2HB   ASN  38          HB1       ASN  38  -9.402  -3.888   4.601
  296   1HD2  ASN  38          HD21      ASN  38  -6.178  -5.055   4.342
  297   2HD2  ASN  38          HD22      ASN  38  -5.908  -5.339   5.994
  298    H    GLY  39           HN       GLY  39  -9.266  -5.566   1.501
  299   1HA   GLY  39          HA2       GLY  39 -11.086  -5.900  -0.171
  300   2HA   GLY  39          HA1       GLY  39 -12.196  -5.207   1.012
  301    H    ILE  40           HN       ILE  40  -9.101  -4.289  -0.558
  302    HA   ILE  40           HA       ILE  40 -10.288  -1.572  -1.018
  303    HB   ILE  40           HB       ILE  40  -7.479  -2.355  -0.165
  304   1HG1  ILE  40          HG12      ILE  40  -9.640  -0.762   1.253
  305   2HG1  ILE  40          HG11      ILE  40  -9.256  -2.450   1.591
  306   1HG2  ILE  40          HG21      ILE  40  -7.074  -0.443  -1.451
  307   2HG2  ILE  40          HG22      ILE  40  -7.440   0.282   0.117
  308   3HG2  ILE  40          HG23      ILE  40  -8.679   0.223  -1.134
  309   1HD1  ILE  40          HD11      ILE  40  -7.177  -1.930   2.524
  310   2HD1  ILE  40          HD12      ILE  40  -8.163  -0.565   3.052
  311   3HD1  ILE  40          HD13      ILE  40  -7.073  -0.386   1.677
  312    H    ASP  41           HN       ASP  41 -10.819  -2.458  -3.186
  313    HA   ASP  41           HA       ASP  41  -8.487  -2.945  -4.982
  314   1HB   ASP  41          HB2       ASP  41 -10.741  -4.314  -4.748
  315   2HB   ASP  41          HB1       ASP  41 -11.385  -3.038  -5.782
  316    H    GLY  42           HN       GLY  42  -8.954  -0.299  -3.901
  317   1HA   GLY  42          HA2       GLY  42 -10.404   1.401  -5.681
  318   2HA   GLY  42          HA1       GLY  42  -9.130   1.922  -4.576
  319    H    GLU  43           HN       GLU  43  -7.959   3.222  -5.931
  320    HA   GLU  43           HA       GLU  43  -6.870   2.006  -8.403
  321   1HB   GLU  43          HB2       GLU  43  -7.400   4.878  -7.594
  322   2HB   GLU  43          HB1       GLU  43  -6.601   4.415  -9.098
  323   1HG   GLU  43          HG2       GLU  43  -8.750   2.859  -9.340
  324   2HG   GLU  43          HG1       GLU  43  -9.461   4.086  -8.291
  325    H    TRP  44           HN       TRP  44  -4.858   1.254  -7.908
  326    HA   TRP  44           HA       TRP  44  -3.304   2.339  -5.742
  327   1HB   TRP  44          HB2       TRP  44  -2.961   0.218  -7.836
  328   2HB   TRP  44          HB1       TRP  44  -1.628   0.646  -6.755
  329    HD1  TRP  44           HD1      TRP  44  -5.368  -0.297  -6.497
  330    HE1  TRP  44           HE1      TRP  44  -5.712  -1.604  -4.299
  331    HE3  TRP  44           HE3      TRP  44  -0.629  -0.105  -4.603
  332    HZ2  TRP  44           HZ2      TRP  44  -4.184  -2.429  -2.037
  333    HZ3  TRP  44           HZ3      TRP  44  -0.101  -1.163  -2.425
  334    HH2  TRP  44           HH2      TRP  44  -1.872  -2.331  -1.141
  335    H    THR  45           HN       THR  45  -1.493   3.548  -5.794
  336    HA   THR  45           HA       THR  45  -0.217   4.355  -8.325
  337    HB   THR  45           HB       THR  45  -0.557   6.804  -7.537
  338    HG1  THR  45           HG1      THR  45  -2.297   7.125  -6.208
  339   1HG2  THR  45          HG21      THR  45  -1.671   5.664  -9.505
  340   2HG2  THR  45          HG22      THR  45  -2.590   6.994  -8.801
  341   3HG2  THR  45          HG23      THR  45  -3.036   5.326  -8.442
  342    H    TYR  46           HN       TYR  46   1.945   4.574  -7.892
  343    HA   TYR  46           HA       TYR  46   2.775   4.579  -5.025
  344   1HB   TYR  46          HB2       TYR  46   3.548   2.663  -6.181
  345   2HB   TYR  46          HB1       TYR  46   3.889   3.570  -7.647
  346    HD1  TYR  46           HD1      TYR  46   5.165   2.533  -4.366
  347    HD2  TYR  46           HD2      TYR  46   5.907   4.987  -7.811
  348    HE1  TYR  46           HE1      TYR  46   7.525   2.763  -3.691
  349    HE2  TYR  46           HE2      TYR  46   8.278   5.224  -7.130
  350    HH   TYR  46           HH       TYR  46   9.905   3.563  -5.551
  351    H    ASP  47           HN       ASP  47   4.234   6.141  -4.279
  352    HA   ASP  47           HA       ASP  47   4.795   8.439  -6.121
  353   1HB   ASP  47          HB2       ASP  47   4.282   8.139  -3.157
  354   2HB   ASP  47          HB1       ASP  47   5.007   9.607  -3.814
  355    H    ASP  48           HN       ASP  48   6.883   8.171  -6.857
  356    HA   ASP  48           HA       ASP  48   8.968   6.768  -5.447
  357   1HB   ASP  48          HB2       ASP  48   8.753   7.184  -7.925
  358   2HB   ASP  48          HB1       ASP  48   9.191   8.866  -7.628
  359    H    ALA  49           HN       ALA  49   7.832  10.078  -5.317
  360    HA   ALA  49           HA       ALA  49  10.091  11.489  -4.442
  361   1HB   ALA  49          HB1       ALA  49   8.537  13.114  -3.962
  362   2HB   ALA  49          HB2       ALA  49   7.497  11.997  -3.078
  363   3HB   ALA  49          HB3       ALA  49   7.473  12.016  -4.842
  364    H    THR  50           HN       THR  50   7.909   9.397  -2.571
  365    HA   THR  50           HA       THR  50   9.955   9.252  -0.415
  366    HB   THR  50           HB       THR  50   8.175   9.766   1.258
  367    HG1  THR  50           HG1      THR  50   6.191   9.946   0.621
  368   1HG2  THR  50          HG21      THR  50   9.694  11.527   0.224
  369   2HG2  THR  50          HG22      THR  50   8.190  12.134   0.918
  370   3HG2  THR  50          HG23      THR  50   8.344  11.947  -0.830
  371    H    LYS  51           HN       LYS  51   8.448   7.465  -2.526
  372    HA   LYS  51           HA       LYS  51   7.608   5.259  -2.618
  373   1HB   LYS  51          HB2       LYS  51   9.653   5.528  -0.549
  374   2HB   LYS  51          HB1       LYS  51   8.554   4.194  -0.200
  375   1HG   LYS  51          HG2       LYS  51   9.966   3.055  -1.595
  376   2HG   LYS  51          HG1       LYS  51   8.942   3.773  -2.838
  377   1HD   LYS  51          HD2       LYS  51  11.180   4.259  -3.505
  378   2HD   LYS  51          HD1       LYS  51  10.556   5.759  -2.819
  379   1HE   LYS  51          HE2       LYS  51  11.660   4.277  -0.646
  380   2HE   LYS  51          HE1       LYS  51  12.847   4.234  -1.964
  381   1HZ   LYS  51          HZ1       LYS  51  13.105   6.261  -0.686
  382   2HZ   LYS  51          HZ2       LYS  51  11.471   6.659  -0.929
  383   3HZ   LYS  51          HZ3       LYS  51  12.545   6.631  -2.244
  384    H    THR  52           HN       THR  52   5.343   5.645  -2.373
  385    HA   THR  52           HA       THR  52   4.210   4.714   0.183
  386    HB   THR  52           HB       THR  52   3.682   7.499  -0.902
  387    HG1  THR  52           HG1      THR  52   5.068   6.601   1.402
  388   1HG2  THR  52          HG21      THR  52   2.784   6.285   1.718
  389   2HG2  THR  52          HG22      THR  52   1.777   6.287   0.270
  390   3HG2  THR  52          HG23      THR  52   2.270   7.813   1.005
  391    H    PHE  53           HN       PHE  53   3.063   3.083  -0.925
  392    HA   PHE  53           HA       PHE  53   1.677   3.392  -3.418
  393   1HB   PHE  53          HB2       PHE  53   1.306   1.554  -1.028
  394   2HB   PHE  53          HB1       PHE  53   0.461   1.330  -2.559
  395    HD1  PHE  53           HD1      PHE  53   1.657   0.652  -4.581
  396    HD2  PHE  53           HD2      PHE  53   3.722   1.200  -0.854
  397    HE1  PHE  53           HE1      PHE  53   3.635  -0.529  -5.502
  398    HE2  PHE  53           HE2      PHE  53   5.699   0.018  -1.775
  399    HZ   PHE  53           HZ       PHE  53   5.655  -0.846  -4.099
  400    H    THR  54           HN       THR  54  -0.437   4.147  -3.844
  401    HA   THR  54           HA       THR  54  -2.026   5.046  -1.450
  402    HB   THR  54           HB       THR  54  -1.566   6.504  -4.068
  403    HG1  THR  54           HG1      THR  54  -0.001   7.510  -3.070
  404   1HG2  THR  54          HG21      THR  54  -3.704   6.781  -2.421
  405   2HG2  THR  54          HG22      THR  54  -3.013   8.114  -3.346
  406   3HG2  THR  54          HG23      THR  54  -2.572   7.893  -1.653
  407    H    VAL  55           HN       VAL  55  -3.699   3.456  -1.586
  408    HA   VAL  55           HA       VAL  55  -5.138   3.233  -4.157
  409    HB   VAL  55           HB       VAL  55  -4.383   1.137  -2.987
  410   1HG1  VAL  55          HG11      VAL  55  -4.801   2.096  -0.662
  411   2HG1  VAL  55          HG12      VAL  55  -5.373   0.444  -0.930
  412   3HG1  VAL  55          HG13      VAL  55  -6.514   1.799  -0.967
  413   1HG2  VAL  55          HG21      VAL  55  -6.445  -0.054  -3.307
  414   2HG2  VAL  55          HG22      VAL  55  -6.396   1.245  -4.498
  415   3HG2  VAL  55          HG23      VAL  55  -7.389   1.411  -3.050
  416    H    THR  56           HN       THR  56  -7.581   3.188  -3.922
  417    HA   THR  56           HA       THR  56  -8.758   4.579  -1.622
  418    HB   THR  56           HB       THR  56  -8.480   5.830  -4.370
  419    HG1  THR  56           HG1      THR  56  -7.083   7.170  -3.413
  420   1HG2  THR  56          HG21      THR  56 -10.453   6.819  -3.802
  421   2HG2  THR  56          HG22      THR  56  -9.452   7.790  -2.722
  422   3HG2  THR  56          HG23      THR  56 -10.296   6.370  -2.103
  423    H    GLU  57           HN       GLU  57 -10.550   3.271  -1.424
  424    HA   GLU  57           HA       GLU  57 -11.865   2.071  -3.766
  425   1HB   GLU  57          HB2       GLU  57 -11.433   1.235  -1.263
  426   2HB   GLU  57          HB1       GLU  57 -12.993   2.014  -0.995
  427   1HG   GLU  57          HG2       GLU  57 -13.884   0.695  -2.962
  428   2HG   GLU  57          HG1       GLU  57 -12.366  -0.202  -2.962
  Start of MODEL    3
    1   1H    MET   1          HT1       MET   1  16.338  -2.073   4.675
    2   2H    MET   1          HT2       MET   1  17.082  -1.731   3.187
    3   3H    MET   1          HT3       MET   1  17.137  -3.305   3.825
    4    HA   MET   1           HA       MET   1  15.500  -3.292   2.094
    5   1HB   MET   1          HB2       MET   1  14.931  -3.603   4.969
    6   2HB   MET   1          HB1       MET   1  13.483  -3.432   3.978
    7   1HG   MET   1          HG2       MET   1  13.862  -5.745   3.913
    8   2HG   MET   1          HG1       MET   1  14.638  -5.192   2.429
    9   1HE   MET   1          HE1       MET   1  14.919  -7.793   3.806
   10   2HE   MET   1          HE2       MET   1  16.588  -8.191   4.204
   11   3HE   MET   1          HE3       MET   1  16.179  -7.676   2.570
   12    H    THR   2           HN       THR   2  13.634  -2.298   1.143
   13    HA   THR   2           HA       THR   2  13.423   0.605   1.624
   14    HB   THR   2           HB       THR   2  12.067  -1.253  -0.356
   15    HG1  THR   2           HG1      THR   2  14.174  -1.372  -0.810
   16   1HG2  THR   2          HG21      THR   2  12.390   1.753  -0.227
   17   2HG2  THR   2          HG22      THR   2  10.881   0.838  -0.221
   18   3HG2  THR   2          HG23      THR   2  11.875   0.890  -1.678
   19    H    THR   3           HN       THR   3  12.043   1.223   3.250
   20    HA   THR   3           HA       THR   3   9.763  -0.409   4.038
   21    HB   THR   3           HB       THR   3  10.499   2.359   4.986
   22    HG1  THR   3           HG1      THR   3  12.212   1.573   5.901
   23   1HG2  THR   3          HG21      THR   3   8.413   0.839   5.696
   24   2HG2  THR   3          HG22      THR   3   9.267   1.851   6.861
   25   3HG2  THR   3          HG23      THR   3   9.627   0.128   6.760
   26    H    PHE   4           HN       PHE   4   8.246  -0.291   2.297
   27    HA   PHE   4           HA       PHE   4   7.451   2.281   1.134
   28   1HB   PHE   4          HB2       PHE   4   6.390  -0.557   0.992
   29   2HB   PHE   4          HB1       PHE   4   5.743   0.770   0.031
   30    HD1  PHE   4           HD1      PHE   4   7.117   1.844  -1.720
   31    HD2  PHE   4           HD2      PHE   4   8.556  -1.520   0.529
   32    HE1  PHE   4           HE1      PHE   4   8.911   1.490  -3.396
   33    HE2  PHE   4           HE2      PHE   4  10.349  -1.873  -1.145
   34    HZ   PHE   4           HZ       PHE   4  10.526  -0.369  -3.108
   35    H    LYS   5           HN       LYS   5   4.951   2.738   1.141
   36    HA   LYS   5           HA       LYS   5   3.711   2.100   3.784
   37   1HB   LYS   5          HB2       LYS   5   4.698   4.697   2.727
   38   2HB   LYS   5          HB1       LYS   5   3.131   4.738   3.535
   39   1HG   LYS   5          HG2       LYS   5   4.011   4.092   5.581
   40   2HG   LYS   5          HG1       LYS   5   5.375   3.249   4.845
   41   1HD   LYS   5          HD2       LYS   5   5.032   6.260   4.810
   42   2HD   LYS   5          HD1       LYS   5   6.017   5.394   5.990
   43   1HE   LYS   5          HE2       LYS   5   7.144   4.323   3.865
   44   2HE   LYS   5          HE1       LYS   5   6.486   5.750   3.039
   45   1HZ   LYS   5          HZ1       LYS   5   8.663   6.242   3.962
   46   2HZ   LYS   5          HZ2       LYS   5   8.142   5.773   5.509
   47   3HZ   LYS   5          HZ3       LYS   5   7.471   7.144   4.763
   48    H    LEU   6           HN       LEU   6   1.645   1.420   3.382
   49    HA   LEU   6           HA       LEU   6   0.319   2.231   0.835
   50   1HB   LEU   6          HB2       LEU   6   0.535  -0.161   1.285
   51   2HB   LEU   6          HB1       LEU   6  -0.191   0.040   2.878
   52    HG   LEU   6           HG       LEU   6  -2.280   0.886   1.730
   53   1HD1  LEU   6          HD11      LEU   6  -0.672   0.051  -0.687
   54   2HD1  LEU   6          HD12      LEU   6  -1.486   1.588  -0.397
   55   3HD1  LEU   6          HD13      LEU   6  -2.434   0.138  -0.724
   56   1HD2  LEU   6          HD21      LEU   6  -2.680  -1.532   0.642
   57   2HD2  LEU   6          HD22      LEU   6  -2.602  -1.300   2.389
   58   3HD2  LEU   6          HD23      LEU   6  -1.186  -1.882   1.510
   59    H    ILE   7           HN       ILE   7  -1.320   3.724   0.925
   60    HA   ILE   7           HA       ILE   7  -2.221   4.783   3.496
   61    HB   ILE   7           HB       ILE   7  -1.818   5.879   1.106
   62   1HG1  ILE   7          HG12      ILE   7  -4.263   6.888   2.489
   63   2HG1  ILE   7          HG11      ILE   7  -2.751   6.804   3.393
   64   1HG2  ILE   7          HG21      ILE   7  -3.760   6.156  -0.253
   65   2HG2  ILE   7          HG22      ILE   7  -4.796   5.388   0.947
   66   3HG2  ILE   7          HG23      ILE   7  -3.625   4.425   0.050
   67   1HD1  ILE   7          HD11      ILE   7  -1.651   8.048   1.480
   68   2HD1  ILE   7          HD12      ILE   7  -2.837   8.987   2.388
   69   3HD1  ILE   7          HD13      ILE   7  -3.266   8.307   0.818
   70    H    ILE   8           HN       ILE   8  -4.778   5.001   3.728
   71    HA   ILE   8           HA       ILE   8  -6.053   2.420   2.893
   72    HB   ILE   8           HB       ILE   8  -6.089   3.749   5.624
   73   1HG1  ILE   8          HG12      ILE   8  -4.873   1.108   4.763
   74   2HG1  ILE   8          HG11      ILE   8  -3.949   2.595   4.975
   75   1HG2  ILE   8          HG21      ILE   8  -8.160   2.389   4.741
   76   2HG2  ILE   8          HG22      ILE   8  -7.536   2.068   6.357
   77   3HG2  ILE   8          HG23      ILE   8  -7.122   0.992   5.023
   78   1HD1  ILE   8          HD11      ILE   8  -5.173   0.819   7.021
   79   2HD1  ILE   8          HD12      ILE   8  -5.251   2.552   7.337
   80   3HD1  ILE   8          HD13      ILE   8  -3.689   1.769   7.097
   81    H    ASN   9           HN       ASN   9  -6.944   4.076   1.245
   82    HA   ASN   9           HA       ASN   9  -9.057   5.840   2.381
   83   1HB   ASN   9          HB2       ASN   9  -7.335   5.749   0.033
   84   2HB   ASN   9          HB1       ASN   9  -9.020   5.953  -0.443
   85   1HD2  ASN   9          HD21      ASN   9  -6.386   7.789   0.146
   86   2HD2  ASN   9          HD22      ASN   9  -7.110   9.165   0.828
   87    H    GLY  10           HN       GLY  10  -9.573   3.171   2.801
   88   1HA   GLY  10          HA2       GLY  10 -11.558   2.429   0.695
   89   2HA   GLY  10          HA1       GLY  10 -10.785   1.276   1.789
   90    H    LYS  11           HN       LYS  11 -13.639   1.667   1.424
   91    HA   LYS  11           HA       LYS  11 -14.734   3.161   3.657
   92   1HB   LYS  11          HB2       LYS  11 -15.741   1.000   1.793
   93   2HB   LYS  11          HB1       LYS  11 -16.766   1.733   3.026
   94   1HG   LYS  11          HG2       LYS  11 -15.228   3.503   1.151
   95   2HG   LYS  11          HG1       LYS  11 -16.726   2.752   0.601
   96   1HD   LYS  11          HD2       LYS  11 -17.967   3.752   2.431
   97   2HD   LYS  11          HD1       LYS  11 -16.482   4.384   3.143
   98   1HE   LYS  11          HE2       LYS  11 -16.155   5.612   0.875
   99   2HE   LYS  11          HE1       LYS  11 -17.879   5.277   0.619
  100   1HZ   LYS  11          HZ1       LYS  11 -17.467   7.395   1.809
  101   2HZ   LYS  11          HZ2       LYS  11 -16.762   6.513   3.079
  102   3HZ   LYS  11          HZ3       LYS  11 -18.405   6.300   2.702
  103    H    THR  12           HN       THR  12 -13.024   0.193   3.511
  104    HA   THR  12           HA       THR  12 -14.428  -1.051   5.792
  105    HB   THR  12           HB       THR  12 -11.867  -1.893   4.416
  106    HG1  THR  12           HG1      THR  12 -13.139  -1.843   2.719
  107   1HG2  THR  12          HG21      THR  12 -12.170  -3.374   6.157
  108   2HG2  THR  12          HG22      THR  12 -13.171  -4.160   4.936
  109   3HG2  THR  12          HG23      THR  12 -13.920  -3.156   6.177
  110    H    LEU  13           HN       LEU  13 -11.375   0.639   5.080
  111    HA   LEU  13           HA       LEU  13 -10.941   0.938   8.022
  112   1HB   LEU  13          HB2       LEU  13  -9.369  -0.624   6.066
  113   2HB   LEU  13          HB1       LEU  13  -8.407   0.437   7.095
  114    HG   LEU  13           HG       LEU  13 -10.533  -1.153   8.440
  115   1HD1  LEU  13          HD11      LEU  13  -8.964  -3.112   8.584
  116   2HD1  LEU  13          HD12      LEU  13  -7.973  -2.350   7.340
  117   3HD1  LEU  13          HD13      LEU  13  -9.622  -2.853   6.969
  118   1HD2  LEU  13          HD21      LEU  13  -9.000   0.419   9.626
  119   2HD2  LEU  13          HD22      LEU  13  -7.629  -0.559   9.100
  120   3HD2  LEU  13          HD23      LEU  13  -8.829  -1.241  10.199
  121    H    LYS  14           HN       LYS  14  -9.174   2.584   8.446
  122    HA   LYS  14           HA       LYS  14  -8.672   4.487   6.215
  123   1HB   LYS  14          HB2       LYS  14 -10.783   4.741   8.071
  124   2HB   LYS  14          HB1       LYS  14  -9.550   5.874   8.622
  125   1HG   LYS  14          HG2       LYS  14 -10.560   5.728   5.767
  126   2HG   LYS  14          HG1       LYS  14 -11.161   6.868   6.971
  127   1HD   LYS  14          HD2       LYS  14  -8.946   7.847   7.220
  128   2HD   LYS  14          HD1       LYS  14  -8.257   6.640   6.134
  129   1HE   LYS  14          HE2       LYS  14  -9.131   7.643   4.241
  130   2HE   LYS  14          HE1       LYS  14 -10.545   8.278   5.108
  131   1HZ   LYS  14          HZ1       LYS  14  -9.113   9.817   6.280
  132   2HZ   LYS  14          HZ2       LYS  14  -8.935  10.036   4.604
  133   3HZ   LYS  14          HZ3       LYS  14  -7.745   9.204   5.487
  134    H    GLY  15           HN       GLY  15  -6.667   5.476   6.449
  135   1HA   GLY  15          HA2       GLY  15  -5.175   6.522   8.309
  136   2HA   GLY  15          HA1       GLY  15  -5.161   4.880   8.951
  137    H    GLU  16           HN       GLU  16  -3.067   4.230   8.575
  138    HA   GLU  16           HA       GLU  16  -2.211   4.007   5.731
  139   1HB   GLU  16          HB2       GLU  16  -0.964   5.609   7.936
  140   2HB   GLU  16          HB1       GLU  16   0.101   4.835   6.762
  141   1HG   GLU  16          HG2       GLU  16  -1.707   5.903   5.069
  142   2HG   GLU  16          HG1       GLU  16  -1.825   7.069   6.387
  143    H    THR  17           HN       THR  17  -0.194   2.589   5.604
  144    HA   THR  17           HA       THR  17   0.124   0.733   7.920
  145    HB   THR  17           HB       THR  17  -0.463  -0.113   5.064
  146    HG1  THR  17           HG1      THR  17  -2.430   0.313   5.629
  147   1HG2  THR  17          HG21      THR  17  -0.719  -1.861   7.482
  148   2HG2  THR  17          HG22      THR  17   0.886  -1.564   6.816
  149   3HG2  THR  17          HG23      THR  17  -0.361  -2.306   5.814
  150    H    THR  18           HN       THR  18   2.172  -0.333   7.919
  151    HA   THR  18           HA       THR  18   4.093   0.498   5.769
  152    HB   THR  18           HB       THR  18   5.733   0.703   7.721
  153    HG1  THR  18           HG1      THR  18   4.700   0.994   9.748
  154   1HG2  THR  18          HG21      THR  18   3.416   2.480   7.139
  155   2HG2  THR  18          HG22      THR  18   5.144   2.795   6.980
  156   3HG2  THR  18          HG23      THR  18   4.378   2.858   8.567
  157    H    THR  19           HN       THR  19   5.914  -0.992   5.524
  158    HA   THR  19           HA       THR  19   5.917  -3.541   6.983
  159    HB   THR  19           HB       THR  19   4.059  -3.813   5.386
  160    HG1  THR  19           HG1      THR  19   6.344  -5.203   4.458
  161   1HG2  THR  19          HG21      THR  19   5.316  -2.124   3.750
  162   2HG2  THR  19          HG22      THR  19   4.194  -3.334   3.129
  163   3HG2  THR  19          HG23      THR  19   5.931  -3.628   3.064
  164    H    GLU  20           HN       GLU  20   7.678  -5.001   6.059
  165    HA   GLU  20           HA       GLU  20   9.975  -3.326   5.165
  166   1HB   GLU  20          HB2       GLU  20   9.507  -5.799   6.744
  167   2HB   GLU  20          HB1       GLU  20  10.989  -5.769   5.788
  168   1HG   GLU  20          HG2       GLU  20  11.746  -4.750   7.724
  169   2HG   GLU  20          HG1       GLU  20  11.202  -3.333   6.826
  170    H    ALA  21           HN       ALA  21  10.577  -3.438   3.043
  171    HA   ALA  21           HA       ALA  21  10.309  -5.997   1.556
  172   1HB   ALA  21          HB1       ALA  21   8.243  -5.105   0.951
  173   2HB   ALA  21          HB2       ALA  21   9.268  -4.409  -0.304
  174   3HB   ALA  21          HB3       ALA  21   8.809  -3.441   1.097
  175    H    VAL  22           HN       VAL  22  11.981  -6.224   0.078
  176    HA   VAL  22           HA       VAL  22  14.251  -4.498   0.131
  177    HB   VAL  22           HB       VAL  22  14.257  -6.887  -0.504
  178   1HG1  VAL  22          HG11      VAL  22  13.167  -6.179  -3.209
  179   2HG1  VAL  22          HG12      VAL  22  12.042  -6.494  -1.888
  180   3HG1  VAL  22          HG13      VAL  22  13.187  -7.739  -2.387
  181   1HG2  VAL  22          HG21      VAL  22  15.143  -5.315  -2.925
  182   2HG2  VAL  22          HG22      VAL  22  15.908  -6.726  -2.193
  183   3HG2  VAL  22          HG23      VAL  22  15.978  -5.163  -1.378
  184    H    ASP  23           HN       ASP  23  11.438  -4.595  -2.020
  185    HA   ASP  23           HA       ASP  23  11.846  -1.846  -2.871
  186   1HB   ASP  23          HB2       ASP  23  12.312  -2.418  -5.254
  187   2HB   ASP  23          HB1       ASP  23  13.597  -2.957  -4.177
  188    H    ALA  24           HN       ALA  24  10.331  -1.623  -5.052
  189    HA   ALA  24           HA       ALA  24   7.663  -2.005  -4.238
  190   1HB   ALA  24          HB1       ALA  24   7.142  -1.140  -6.375
  191   2HB   ALA  24          HB2       ALA  24   8.544  -1.909  -7.119
  192   3HB   ALA  24          HB3       ALA  24   8.761  -0.517  -6.058
  193    H    ALA  25           HN       ALA  25   9.837  -4.227  -5.841
  194    HA   ALA  25           HA       ALA  25   7.999  -5.999  -7.097
  195   1HB   ALA  25          HB1       ALA  25  10.473  -6.930  -5.653
  196   2HB   ALA  25          HB2       ALA  25  10.619  -5.837  -7.030
  197   3HB   ALA  25          HB3       ALA  25   9.867  -7.419  -7.236
  198    H    THR  26           HN       THR  26   8.957  -5.678  -3.713
  199    HA   THR  26           HA       THR  26   7.188  -7.989  -2.997
  200    HB   THR  26           HB       THR  26   9.382  -6.592  -1.431
  201    HG1  THR  26           HG1      THR  26  10.709  -7.922  -2.365
  202   1HG2  THR  26          HG21      THR  26   7.923  -7.670   0.106
  203   2HG2  THR  26          HG22      THR  26   9.252  -8.804  -0.139
  204   3HG2  THR  26          HG23      THR  26   7.710  -9.062  -0.956
  205    H    ALA  27           HN       ALA  27   7.694  -4.541  -2.604
  206    HA   ALA  27           HA       ALA  27   6.167  -4.008  -0.267
  207   1HB   ALA  27          HB1       ALA  27   6.091  -2.246  -2.705
  208   2HB   ALA  27          HB2       ALA  27   7.627  -2.532  -1.886
  209   3HB   ALA  27          HB3       ALA  27   6.287  -1.789  -1.013
  210    H    GLU  28           HN       GLU  28   5.029  -3.654  -3.649
  211    HA   GLU  28           HA       GLU  28   2.245  -3.425  -3.031
  212   1HB   GLU  28          HB2       GLU  28   3.688  -3.028  -5.203
  213   2HB   GLU  28          HB1       GLU  28   3.292  -4.713  -5.545
  214   1HG   GLU  28          HG2       GLU  28   0.867  -4.145  -5.224
  215   2HG   GLU  28          HG1       GLU  28   1.331  -2.450  -5.074
  216    H    LYS  29           HN       LYS  29   4.264  -6.269  -3.769
  217    HA   LYS  29           HA       LYS  29   2.231  -8.246  -3.925
  218   1HB   LYS  29          HB2       LYS  29   4.793  -8.300  -4.338
  219   2HB   LYS  29          HB1       LYS  29   4.914  -8.668  -2.618
  220   1HG   LYS  29          HG2       LYS  29   3.810 -10.715  -2.842
  221   2HG   LYS  29          HG1       LYS  29   3.020 -10.235  -4.345
  222   1HD   LYS  29          HD2       LYS  29   6.017 -10.428  -4.241
  223   2HD   LYS  29          HD1       LYS  29   5.054 -11.894  -4.436
  224   1HE   LYS  29          HE2       LYS  29   3.849 -10.266  -6.270
  225   2HE   LYS  29          HE1       LYS  29   5.527  -9.693  -6.360
  226   1HZ   LYS  29          HZ1       LYS  29   6.284 -11.950  -6.599
  227   2HZ   LYS  29          HZ2       LYS  29   5.122 -11.636  -7.797
  228   3HZ   LYS  29          HZ3       LYS  29   4.707 -12.549  -6.425
  229    H    VAL  30           HN       VAL  30   3.865  -6.837  -1.110
  230    HA   VAL  30           HA       VAL  30   2.496  -8.599   0.805
  231    HB   VAL  30           HB       VAL  30   4.253  -6.132   1.056
  232   1HG1  VAL  30          HG11      VAL  30   3.046  -6.266   3.104
  233   2HG1  VAL  30          HG12      VAL  30   4.582  -7.074   3.424
  234   3HG1  VAL  30          HG13      VAL  30   3.128  -8.029   3.126
  235   1HG2  VAL  30          HG21      VAL  30   5.092  -8.406   0.055
  236   2HG2  VAL  30          HG22      VAL  30   5.030  -8.958   1.729
  237   3HG2  VAL  30          HG23      VAL  30   6.063  -7.599   1.287
  238    H    PHE  31           HN       PHE  31   2.417  -5.110  -0.016
  239    HA   PHE  31           HA       PHE  31   0.276  -4.425   1.766
  240   1HB   PHE  31          HB2       PHE  31   1.618  -3.259  -0.645
  241   2HB   PHE  31          HB1       PHE  31   0.102  -2.533  -0.114
  242    HD1  PHE  31           HD1      PHE  31   0.151  -2.673   2.770
  243    HD2  PHE  31           HD2      PHE  31   3.397  -1.924   0.058
  244    HE1  PHE  31           HE1      PHE  31   1.360  -1.451   4.556
  245    HE2  PHE  31           HE2      PHE  31   4.606  -0.704   1.847
  246    HZ   PHE  31           HZ       PHE  31   3.589  -0.468   4.095
  247    H    LYS  32           HN       LYS  32   0.314  -5.641  -1.569
  248    HA   LYS  32           HA       LYS  32  -2.458  -5.182  -2.165
  249   1HB   LYS  32          HB2       LYS  32  -0.681  -5.732  -3.816
  250   2HB   LYS  32          HB1       LYS  32  -0.559  -7.352  -3.126
  251   1HG   LYS  32          HG2       LYS  32  -2.846  -7.855  -3.754
  252   2HG   LYS  32          HG1       LYS  32  -3.108  -6.195  -4.289
  253   1HD   LYS  32          HD2       LYS  32  -1.880  -6.476  -6.223
  254   2HD   LYS  32          HD1       LYS  32  -0.833  -7.701  -5.505
  255   1HE   LYS  32          HE2       LYS  32  -2.241  -9.416  -6.075
  256   2HE   LYS  32          HE1       LYS  32  -3.697  -8.459  -5.734
  257   1HZ   LYS  32          HZ1       LYS  32  -1.889  -8.032  -8.054
  258   2HZ   LYS  32          HZ2       LYS  32  -3.329  -7.189  -7.731
  259   3HZ   LYS  32          HZ3       LYS  32  -3.378  -8.840  -8.130
  260    H    GLN  33           HN       GLN  33  -0.716  -7.972  -0.779
  261    HA   GLN  33           HA       GLN  33  -2.938  -9.736  -0.489
  262   1HB   GLN  33          HB2       GLN  33  -0.254  -9.808  -0.069
  263   2HB   GLN  33          HB1       GLN  33  -0.841  -9.749   1.591
  264   1HG   GLN  33          HG2       GLN  33  -1.985 -11.679  -0.428
  265   2HG   GLN  33          HG1       GLN  33  -0.565 -12.082   0.538
  266   1HE2  GLN  33          HE21      GLN  33  -3.649 -12.876   0.560
  267   2HE2  GLN  33          HE22      GLN  33  -4.019 -12.813   2.215
  268    H    TYR  34           HN       TYR  34  -1.693  -7.161   1.498
  269    HA   TYR  34           HA       TYR  34  -3.310  -7.584   3.844
  270   1HB   TYR  34          HB2       TYR  34  -1.417  -6.206   4.094
  271   2HB   TYR  34          HB1       TYR  34  -1.717  -5.350   2.587
  272    HD1  TYR  34           HD1      TYR  34  -3.118  -3.401   2.518
  273    HD2  TYR  34           HD2      TYR  34  -2.764  -5.703   6.121
  274    HE1  TYR  34           HE1      TYR  34  -4.248  -1.590   3.776
  275    HE2  TYR  34           HE2      TYR  34  -3.896  -3.893   7.390
  276    HH   TYR  34           HH       TYR  34  -4.124  -1.203   6.942
  277    H    ALA  35           HN       ALA  35  -3.681  -5.306   1.102
  278    HA   ALA  35           HA       ALA  35  -6.284  -4.347   1.829
  279   1HB   ALA  35          HB1       ALA  35  -5.400  -2.975   0.234
  280   2HB   ALA  35          HB2       ALA  35  -6.100  -4.116  -0.916
  281   3HB   ALA  35          HB3       ALA  35  -4.408  -4.269  -0.443
  282    H    ASN  36           HN       ASN  36  -5.237  -7.004  -0.306
  283    HA   ASN  36           HA       ASN  36  -7.734  -7.748  -1.384
  284   1HB   ASN  36          HB2       ASN  36  -5.070  -8.935  -0.920
  285   2HB   ASN  36          HB1       ASN  36  -6.369 -10.114  -1.106
  286   1HD2  ASN  36          HD21      ASN  36  -8.026  -9.034  -3.004
  287   2HD2  ASN  36          HD22      ASN  36  -7.190  -8.740  -4.452
  288    H    ASP  37           HN       ASP  37  -6.211  -8.685   1.692
  289    HA   ASP  37           HA       ASP  37  -8.181 -10.622   2.496
  290   1HB   ASP  37          HB2       ASP  37  -6.034  -8.963   3.769
  291   2HB   ASP  37          HB1       ASP  37  -7.175  -9.799   4.823
  292    H    ASN  38           HN       ASN  38  -7.729  -7.231   3.580
  293    HA   ASN  38           HA       ASN  38 -10.209  -7.056   5.017
  294   1HB   ASN  38          HB2       ASN  38  -8.109  -5.227   3.943
  295   2HB   ASN  38          HB1       ASN  38  -9.650  -4.495   4.390
  296   1HD2  ASN  38          HD21      ASN  38  -6.658  -5.545   5.645
  297   2HD2  ASN  38          HD22      ASN  38  -7.077  -5.552   7.289
  298    H    GLY  39           HN       GLY  39  -9.309  -5.846   1.766
  299   1HA   GLY  39          HA2       GLY  39 -11.038  -6.388  -0.029
  300   2HA   GLY  39          HA1       GLY  39 -12.223  -5.742   1.106
  301    H    ILE  40           HN       ILE  40  -9.026  -4.639  -0.102
  302    HA   ILE  40           HA       ILE  40 -10.301  -1.977  -0.646
  303    HB   ILE  40           HB       ILE  40  -7.487  -2.713   0.226
  304   1HG1  ILE  40          HG12      ILE  40  -9.706  -1.203   1.644
  305   2HG1  ILE  40          HG11      ILE  40  -9.259  -2.876   1.971
  306   1HG2  ILE  40          HG21      ILE  40  -7.198  -0.775  -1.115
  307   2HG2  ILE  40          HG22      ILE  40  -7.388  -0.128   0.517
  308   3HG2  ILE  40          HG23      ILE  40  -8.748  -0.096  -0.603
  309   1HD1  ILE  40          HD11      ILE  40  -7.108  -2.247   2.794
  310   2HD1  ILE  40          HD12      ILE  40  -8.246  -1.116   3.528
  311   3HD1  ILE  40          HD13      ILE  40  -7.264  -0.611   2.153
  312    H    ASP  41           HN       ASP  41 -10.757  -3.106  -2.809
  313    HA   ASP  41           HA       ASP  41  -8.376  -3.329  -4.584
  314   1HB   ASP  41          HB2       ASP  41 -10.059  -4.281  -6.152
  315   2HB   ASP  41          HB1       ASP  41 -10.102  -5.100  -4.592
  316    H    GLY  42           HN       GLY  42  -8.935  -0.735  -3.625
  317   1HA   GLY  42          HA2       GLY  42 -10.603   0.811  -5.373
  318   2HA   GLY  42          HA1       GLY  42  -9.347   1.446  -4.309
  319    H    GLU  43           HN       GLU  43  -8.244   2.784  -5.645
  320    HA   GLU  43           HA       GLU  43  -7.186   1.674  -8.181
  321   1HB   GLU  43          HB2       GLU  43  -7.839   4.489  -7.273
  322   2HB   GLU  43          HB1       GLU  43  -7.019   4.130  -8.793
  323   1HG   GLU  43          HG2       GLU  43  -9.652   2.831  -8.096
  324   2HG   GLU  43          HG1       GLU  43  -9.589   4.418  -8.864
  325    H    TRP  44           HN       TRP  44  -5.152   0.945  -7.683
  326    HA   TRP  44           HA       TRP  44  -3.561   2.110  -5.588
  327   1HB   TRP  44          HB2       TRP  44  -3.201  -0.022  -7.673
  328   2HB   TRP  44          HB1       TRP  44  -1.874   0.443  -6.600
  329    HD1  TRP  44           HD1      TRP  44  -5.581  -0.618  -6.331
  330    HE1  TRP  44           HE1      TRP  44  -5.876  -1.928  -4.127
  331    HE3  TRP  44           HE3      TRP  44  -0.852  -0.242  -4.439
  332    HZ2  TRP  44           HZ2      TRP  44  -4.316  -2.687  -1.862
  333    HZ3  TRP  44           HZ3      TRP  44  -0.285  -1.270  -2.257
  334    HH2  TRP  44           HH2      TRP  44  -2.010  -2.498  -0.967
  335    H    THR  45           HN       THR  45  -1.771   3.357  -5.719
  336    HA   THR  45           HA       THR  45  -0.625   4.168  -8.314
  337    HB   THR  45           HB       THR  45  -0.950   6.613  -7.483
  338    HG1  THR  45           HG1      THR  45  -3.113   5.366  -6.145
  339   1HG2  THR  45          HG21      THR  45  -3.488   5.199  -8.297
  340   2HG2  THR  45          HG22      THR  45  -2.134   5.386  -9.411
  341   3HG2  THR  45          HG23      THR  45  -2.940   6.811  -8.754
  342    H    TYR  46           HN       TYR  46   1.549   4.410  -7.999
  343    HA   TYR  46           HA       TYR  46   2.550   4.379  -5.193
  344   1HB   TYR  46          HB2       TYR  46   3.286   2.551  -6.552
  345   2HB   TYR  46          HB1       TYR  46   3.615   3.601  -7.924
  346    HD1  TYR  46           HD1      TYR  46   4.852   2.415  -4.651
  347    HD2  TYR  46           HD2      TYR  46   5.649   4.930  -8.040
  348    HE1  TYR  46           HE1      TYR  46   7.212   2.620  -3.941
  349    HE2  TYR  46           HE2      TYR  46   8.013   5.141  -7.327
  350    HH   TYR  46           HH       TYR  46   9.638   3.726  -5.926
  351    H    ASP  47           HN       ASP  47   3.397   6.245  -4.382
  352    HA   ASP  47           HA       ASP  47   3.973   8.525  -6.198
  353   1HB   ASP  47          HB2       ASP  47   2.571   8.426  -3.961
  354   2HB   ASP  47          HB1       ASP  47   4.156   8.558  -3.198
  355    H    ASP  48           HN       ASP  48   6.056   8.585  -6.950
  356    HA   ASP  48           HA       ASP  48   8.282   7.226  -5.709
  357   1HB   ASP  48          HB2       ASP  48   7.886   7.895  -8.153
  358   2HB   ASP  48          HB1       ASP  48   8.384   9.519  -7.680
  359    H    ALA  49           HN       ALA  49   6.803  10.290  -5.069
  360    HA   ALA  49           HA       ALA  49   8.957  11.906  -4.266
  361   1HB   ALA  49          HB1       ALA  49   6.890  12.963  -4.307
  362   2HB   ALA  49          HB2       ALA  49   7.060  12.690  -2.573
  363   3HB   ALA  49          HB3       ALA  49   6.070  11.600  -3.544
  364    H    THR  50           HN       THR  50   7.137   9.492  -2.356
  365    HA   THR  50           HA       THR  50   9.472   9.244  -0.524
  366    HB   THR  50           HB       THR  50   7.955   9.568   1.419
  367    HG1  THR  50           HG1      THR  50   6.074  10.288  -0.576
  368   1HG2  THR  50          HG21      THR  50   7.789  11.955   1.254
  369   2HG2  THR  50          HG22      THR  50   7.697  11.887  -0.507
  370   3HG2  THR  50          HG23      THR  50   9.206  11.484   0.314
  371    H    LYS  51           HN       LYS  51   7.932   7.538  -2.567
  372    HA   LYS  51           HA       LYS  51   7.184   5.304  -2.763
  373   1HB   LYS  51          HB2       LYS  51   9.290   5.537  -0.765
  374   2HB   LYS  51          HB1       LYS  51   8.234   4.174  -0.399
  375   1HG   LYS  51          HG2       LYS  51   9.616   3.100  -1.875
  376   2HG   LYS  51          HG1       LYS  51   8.513   3.807  -3.056
  377   1HD   LYS  51          HD2       LYS  51  10.784   4.302  -3.751
  378   2HD   LYS  51          HD1       LYS  51  10.040   5.799  -3.189
  379   1HE   LYS  51          HE2       LYS  51  11.909   5.991  -1.883
  380   2HE   LYS  51          HE1       LYS  51  11.133   4.768  -0.858
  381   1HZ   LYS  51          HZ1       LYS  51  13.372   4.097  -1.609
  382   2HZ   LYS  51          HZ2       LYS  51  12.832   4.158  -3.219
  383   3HZ   LYS  51          HZ3       LYS  51  12.161   3.033  -2.137
  384    H    THR  52           HN       THR  52   4.904   5.747  -2.410
  385    HA   THR  52           HA       THR  52   3.897   4.633   0.150
  386    HB   THR  52           HB       THR  52   3.157   7.368  -0.936
  387    HG1  THR  52           HG1      THR  52   4.395   8.153   0.656
  388   1HG2  THR  52          HG21      THR  52   1.564   5.711   0.533
  389   2HG2  THR  52          HG22      THR  52   1.496   7.471   0.622
  390   3HG2  THR  52          HG23      THR  52   2.427   6.563   1.814
  391    H    PHE  53           HN       PHE  53   2.819   2.922  -0.895
  392    HA   PHE  53           HA       PHE  53   1.375   3.092  -3.371
  393   1HB   PHE  53          HB2       PHE  53   1.185   1.293  -0.933
  394   2HB   PHE  53          HB1       PHE  53   0.287   0.987  -2.420
  395    HD1  PHE  53           HD1      PHE  53   1.453   0.401  -4.504
  396    HD2  PHE  53           HD2      PHE  53   3.598   1.014  -0.835
  397    HE1  PHE  53           HE1      PHE  53   3.450  -0.689  -5.490
  398    HE2  PHE  53           HE2      PHE  53   5.595  -0.076  -1.818
  399    HZ   PHE  53           HZ       PHE  53   5.522  -0.928  -4.148
  400    H    THR  54           HN       THR  54  -0.591   4.090  -3.766
  401    HA   THR  54           HA       THR  54  -2.267   4.785  -1.361
  402    HB   THR  54           HB       THR  54  -1.893   6.254  -3.984
  403    HG1  THR  54           HG1      THR  54  -0.653   7.650  -2.696
  404   1HG2  THR  54          HG21      THR  54  -4.026   6.449  -2.316
  405   2HG2  THR  54          HG22      THR  54  -3.399   7.805  -3.253
  406   3HG2  THR  54          HG23      THR  54  -2.931   7.609  -1.564
  407    H    VAL  55           HN       VAL  55  -3.901   3.172  -1.450
  408    HA   VAL  55           HA       VAL  55  -5.362   2.829  -3.995
  409    HB   VAL  55           HB       VAL  55  -4.552   0.792  -2.765
  410   1HG1  VAL  55          HG11      VAL  55  -4.920   1.808  -0.467
  411   2HG1  VAL  55          HG12      VAL  55  -5.499   0.150  -0.667
  412   3HG1  VAL  55          HG13      VAL  55  -6.640   1.503  -0.717
  413   1HG2  VAL  55          HG21      VAL  55  -7.562   0.985  -2.756
  414   2HG2  VAL  55          HG22      VAL  55  -6.582  -0.458  -3.001
  415   3HG2  VAL  55          HG23      VAL  55  -6.607   0.808  -4.229
  416    H    THR  56           HN       THR  56  -7.824   2.711  -3.692
  417    HA   THR  56           HA       THR  56  -8.956   4.206  -1.429
  418    HB   THR  56           HB       THR  56  -8.845   5.274  -4.264
  419    HG1  THR  56           HG1      THR  56  -7.541   6.834  -3.372
  420   1HG2  THR  56          HG21      THR  56 -10.478   5.991  -1.881
  421   2HG2  THR  56          HG22      THR  56 -10.858   6.158  -3.595
  422   3HG2  THR  56          HG23      THR  56  -9.800   7.330  -2.808
  423    H    GLU  57           HN       GLU  57 -10.642   2.769  -1.077
  424    HA   GLU  57           HA       GLU  57 -12.100   1.583  -3.373
  425   1HB   GLU  57          HB2       GLU  57 -11.251   0.584  -1.023
  426   2HB   GLU  57          HB1       GLU  57 -12.854   1.123  -0.523
  427   1HG   GLU  57          HG2       GLU  57 -12.464  -0.513  -3.028
  428   2HG   GLU  57          HG1       GLU  57 -12.647  -1.281  -1.451
  Start of MODEL    4
    1   1H    MET   1          HT1       MET   1 -17.472   2.541   4.318
    2   2H    MET   1          HT2       MET   1 -16.391   1.481   5.089
    3   3H    MET   1          HT3       MET   1 -17.280   0.958   3.739
    4    HA   MET   1           HA       MET   1 -16.105   2.698   2.391
    5   1HB   MET   1          HB2       MET   1 -14.795   2.890   5.105
    6   2HB   MET   1          HB1       MET   1 -13.946   3.412   3.648
    7   1HG   MET   1          HG2       MET   1 -15.752   4.974   3.116
    8   2HG   MET   1          HG1       MET   1 -16.677   4.412   4.510
    9   1HE   MET   1          HE1       MET   1 -16.038   7.415   6.401
   10   2HE   MET   1          HE2       MET   1 -16.540   5.783   6.834
   11   3HE   MET   1          HE3       MET   1 -17.089   6.493   5.317
   12    H    THR   2           HN       THR   2 -13.923   2.102   1.443
   13    HA   THR   2           HA       THR   2 -13.515  -0.828   1.640
   14    HB   THR   2           HB       THR   2 -12.302   1.262  -0.196
   15    HG1  THR   2           HG1      THR   2 -14.585  -0.390  -0.513
   16   1HG2  THR   2          HG21      THR   2 -11.056  -0.819  -0.216
   17   2HG2  THR   2          HG22      THR   2 -12.020  -0.729  -1.693
   18   3HG2  THR   2          HG23      THR   2 -12.547  -1.752  -0.357
   19    H    THR   3           HN       THR   3 -12.012  -1.517   3.109
   20    HA   THR   3           HA       THR   3  -9.787   0.244   3.884
   21    HB   THR   3           HB       THR   3 -10.623  -2.439   4.994
   22    HG1  THR   3           HG1      THR   3 -11.497   0.178   5.642
   23   1HG2  THR   3          HG21      THR   3  -9.229  -1.987   6.761
   24   2HG2  THR   3          HG22      THR   3  -9.465  -0.244   6.637
   25   3HG2  THR   3          HG23      THR   3  -8.376  -1.068   5.521
   26    H    PHE   4           HN       PHE   4  -8.267   0.011   2.179
   27    HA   PHE   4           HA       PHE   4  -7.553  -2.613   1.092
   28   1HB   PHE   4          HB2       PHE   4  -6.399   0.184   0.887
   29   2HB   PHE   4          HB1       PHE   4  -5.786  -1.184  -0.037
   30    HD1  PHE   4           HD1      PHE   4  -7.249  -2.312  -1.717
   31    HD2  PHE   4           HD2      PHE   4  -8.465   1.261   0.335
   32    HE1  PHE   4           HE1      PHE   4  -9.023  -1.939  -3.412
   33    HE2  PHE   4           HE2      PHE   4 -10.237   1.631  -1.358
   34    HZ   PHE   4           HZ       PHE   4 -10.515   0.031  -3.232
   35    H    LYS   5           HN       LYS   5  -5.035  -3.110   1.108
   36    HA   LYS   5           HA       LYS   5  -3.803  -2.486   3.756
   37   1HB   LYS   5          HB2       LYS   5  -5.218  -4.557   3.881
   38   2HB   LYS   5          HB1       LYS   5  -4.201  -5.276   2.632
   39   1HG   LYS   5          HG2       LYS   5  -2.343  -5.418   4.033
   40   2HG   LYS   5          HG1       LYS   5  -2.917  -4.127   5.090
   41   1HD   LYS   5          HD2       LYS   5  -4.282  -5.530   6.295
   42   2HD   LYS   5          HD1       LYS   5  -4.610  -6.571   4.909
   43   1HE   LYS   5          HE2       LYS   5  -2.099  -7.253   5.107
   44   2HE   LYS   5          HE1       LYS   5  -2.221  -6.590   6.750
   45   1HZ   LYS   5          HZ1       LYS   5  -4.088  -8.580   5.570
   46   2HZ   LYS   5          HZ2       LYS   5  -4.147  -7.965   7.153
   47   3HZ   LYS   5          HZ3       LYS   5  -2.849  -8.949   6.668
   48    H    LEU   6           HN       LEU   6  -1.751  -1.798   3.279
   49    HA   LEU   6           HA       LEU   6  -0.423  -2.773   0.793
   50   1HB   LEU   6          HB2       LEU   6  -0.637  -0.356   1.153
   51   2HB   LEU   6          HB1       LEU   6   0.145  -0.499   2.726
   52    HG   LEU   6           HG       LEU   6   2.172  -1.439   1.520
   53   1HD1  LEU   6          HD11      LEU   6   2.231  -0.711  -0.952
   54   2HD1  LEU   6          HD12      LEU   6   0.473  -0.620  -0.838
   55   3HD1  LEU   6          HD13      LEU   6   1.297  -2.156  -0.563
   56   1HD2  LEU   6          HD21      LEU   6   2.630   0.933   0.406
   57   2HD2  LEU   6          HD22      LEU   6   2.521   0.763   2.159
   58   3HD2  LEU   6          HD23      LEU   6   1.136   1.357   1.241
   59    H    ILE   7           HN       ILE   7   1.272  -4.201   0.927
   60    HA   ILE   7           HA       ILE   7   2.174  -5.160   3.551
   61    HB   ILE   7           HB       ILE   7   1.739  -6.392   1.237
   62   1HG1  ILE   7          HG12      ILE   7   3.598  -8.058   1.927
   63   2HG1  ILE   7          HG11      ILE   7   3.894  -6.943   3.260
   64   1HG2  ILE   7          HG21      ILE   7   4.695  -6.176   0.899
   65   2HG2  ILE   7          HG22      ILE   7   3.704  -4.860   0.270
   66   3HG2  ILE   7          HG23      ILE   7   3.447  -6.508  -0.300
   67   1HD1  ILE   7          HD11      ILE   7   2.179  -8.903   3.583
   68   2HD1  ILE   7          HD12      ILE   7   1.089  -7.851   2.678
   69   3HD1  ILE   7          HD13      ILE   7   1.785  -7.299   4.202
   70    H    ILE   8           HN       ILE   8   4.675  -5.253   3.922
   71    HA   ILE   8           HA       ILE   8   5.943  -2.764   2.831
   72    HB   ILE   8           HB       ILE   8   6.014  -3.851   5.664
   73   1HG1  ILE   8          HG12      ILE   8   4.700  -1.334   4.593
   74   2HG1  ILE   8          HG11      ILE   8   3.826  -2.832   4.919
   75   1HG2  ILE   8          HG21      ILE   8   8.047  -2.562   4.735
   76   2HG2  ILE   8          HG22      ILE   8   7.327  -1.960   6.228
   77   3HG2  ILE   8          HG23      ILE   8   6.979  -1.160   4.695
   78   1HD1  ILE   8          HD11      ILE   8   4.994  -2.640   7.280
   79   2HD1  ILE   8          HD12      ILE   8   3.536  -1.709   6.936
   80   3HD1  ILE   8          HD13      ILE   8   5.118  -0.934   6.849
   81    H    ASN   9           HN       ASN   9   6.914  -4.497   1.322
   82    HA   ASN   9           HA       ASN   9   9.054  -6.110   2.633
   83   1HB   ASN   9          HB2       ASN   9   7.818  -6.013  -0.130
   84   2HB   ASN   9          HB1       ASN   9   9.231  -6.999   0.234
   85   1HD2  ASN   9          HD21      ASN   9   6.561  -8.026  -0.516
   86   2HD2  ASN   9          HD22      ASN   9   6.019  -8.957   0.795
   87    H    GLY  10           HN       GLY  10   9.480  -3.401   2.808
   88   1HA   GLY  10          HA2       GLY  10  11.375  -2.710   0.612
   89   2HA   GLY  10          HA1       GLY  10  10.673  -1.558   1.755
   90    H    LYS  11           HN       LYS  11  13.411  -1.591   1.353
   91    HA   LYS  11           HA       LYS  11  14.686  -3.167   3.491
   92   1HB   LYS  11          HB2       LYS  11  15.692  -2.645   1.241
   93   2HB   LYS  11          HB1       LYS  11  15.768  -0.950   1.724
   94   1HG   LYS  11          HG2       LYS  11  17.340  -1.384   3.435
   95   2HG   LYS  11          HG1       LYS  11  16.996  -3.114   3.429
   96   1HD   LYS  11          HD2       LYS  11  18.301  -3.511   1.575
   97   2HD   LYS  11          HD1       LYS  11  17.988  -1.919   0.884
   98   1HE   LYS  11          HE2       LYS  11  19.606  -2.177   3.420
   99   2HE   LYS  11          HE1       LYS  11  20.373  -2.373   1.831
  100   1HZ   LYS  11          HZ1       LYS  11  18.623  -0.085   2.555
  101   2HZ   LYS  11          HZ2       LYS  11  19.543  -0.264   1.138
  102   3HZ   LYS  11          HZ3       LYS  11  20.317  -0.032   2.633
  103    H    THR  12           HN       THR  12  12.726  -0.522   3.656
  104    HA   THR  12           HA       THR  12  14.388   0.853   5.734
  105    HB   THR  12           HB       THR  12  12.005   1.826   4.123
  106    HG1  THR  12           HG1      THR  12  13.817   1.482   2.821
  107   1HG2  THR  12          HG21      THR  12  12.146   3.098   6.128
  108   2HG2  THR  12          HG22      THR  12  12.957   4.073   4.903
  109   3HG2  THR  12          HG23      THR  12  13.908   3.145   6.062
  110    H    LEU  13           HN       LEU  13  11.252  -0.628   4.999
  111    HA   LEU  13           HA       LEU  13  10.670  -0.669   7.936
  112   1HB   LEU  13          HB2       LEU  13   9.555   1.146   6.236
  113   2HB   LEU  13          HB1       LEU  13   8.392  -0.170   6.104
  114    HG   LEU  13           HG       LEU  13   8.463  -0.226   8.693
  115   1HD1  LEU  13          HD11      LEU  13  10.511   1.392   8.592
  116   2HD1  LEU  13          HD12      LEU  13   9.283   1.659   9.830
  117   3HD1  LEU  13          HD13      LEU  13   9.296   2.651   8.371
  118   1HD2  LEU  13          HD21      LEU  13   6.572   0.624   7.267
  119   2HD2  LEU  13          HD22      LEU  13   7.298   2.230   7.344
  120   3HD2  LEU  13          HD23      LEU  13   6.712   1.456   8.816
  121    H    LYS  14           HN       LYS  14   8.853  -2.264   8.404
  122    HA   LYS  14           HA       LYS  14   8.363  -4.328   6.344
  123   1HB   LYS  14          HB2       LYS  14  10.385  -4.468   8.473
  124   2HB   LYS  14          HB1       LYS  14   9.289  -5.848   8.472
  125   1HG   LYS  14          HG2       LYS  14  10.292  -5.010   5.809
  126   2HG   LYS  14          HG1       LYS  14  11.499  -5.693   6.899
  127   1HD   LYS  14          HD2       LYS  14   9.373  -7.421   7.238
  128   2HD   LYS  14          HD1       LYS  14   9.252  -7.014   5.526
  129   1HE   LYS  14          HE2       LYS  14  11.577  -7.686   5.158
  130   2HE   LYS  14          HE1       LYS  14  11.783  -8.002   6.892
  131   1HZ   LYS  14          HZ1       LYS  14   9.863  -9.338   5.060
  132   2HZ   LYS  14          HZ2       LYS  14   9.886  -9.552   6.745
  133   3HZ   LYS  14          HZ3       LYS  14  11.210 -10.050   5.804
  134    H    GLY  15           HN       GLY  15   6.434  -5.436   6.772
  135   1HA   GLY  15          HA2       GLY  15   5.071  -6.372   8.767
  136   2HA   GLY  15          HA1       GLY  15   5.037  -4.692   9.302
  137    H    GLU  16           HN       GLU  16   2.941  -4.071   8.991
  138    HA   GLU  16           HA       GLU  16   1.914  -4.017   6.212
  139   1HB   GLU  16          HB2       GLU  16  -0.187  -5.145   6.926
  140   2HB   GLU  16          HB1       GLU  16   1.215  -6.194   7.122
  141   1HG   GLU  16          HG2       GLU  16   0.408  -6.500   9.231
  142   2HG   GLU  16          HG1       GLU  16   1.159  -4.938   9.555
  143    H    THR  17           HN       THR  17  -0.025  -2.613   6.048
  144    HA   THR  17           HA       THR  17  -0.566  -0.866   8.401
  145    HB   THR  17           HB       THR  17   0.258   0.150   5.661
  146    HG1  THR  17           HG1      THR  17   1.735   0.114   8.080
  147   1HG2  THR  17          HG21      THR  17   0.192   2.308   6.607
  148   2HG2  THR  17          HG22      THR  17   0.188   1.681   8.255
  149   3HG2  THR  17          HG23      THR  17  -1.253   1.528   7.250
  150    H    THR  18           HN       THR  18  -2.616   0.207   8.237
  151    HA   THR  18           HA       THR  18  -4.315  -0.585   5.894
  152    HB   THR  18           HB       THR  18  -6.130  -0.781   7.726
  153    HG1  THR  18           HG1      THR  18  -5.346  -1.082   9.786
  154   1HG2  THR  18          HG21      THR  18  -5.662  -3.065   7.998
  155   2HG2  THR  18          HG22      THR  18  -3.919  -2.796   8.054
  156   3HG2  THR  18          HG23      THR  18  -4.784  -2.655   6.524
  157    H    THR  19           HN       THR  19  -6.105   0.901   5.491
  158    HA   THR  19           HA       THR  19  -6.087   3.489   6.948
  159    HB   THR  19           HB       THR  19  -4.375   3.672   5.187
  160    HG1  THR  19           HG1      THR  19  -5.460   5.542   5.477
  161   1HG2  THR  19          HG21      THR  19  -5.887   1.927   3.759
  162   2HG2  THR  19          HG22      THR  19  -4.657   2.961   3.034
  163   3HG2  THR  19          HG23      THR  19  -6.352   3.443   2.989
  164    H    GLU  20           HN       GLU  20  -7.767   4.961   5.446
  165    HA   GLU  20           HA       GLU  20 -10.174   3.219   5.004
  166   1HB   GLU  20          HB2       GLU  20  -9.819   5.919   6.331
  167   2HB   GLU  20          HB1       GLU  20 -11.401   5.280   5.883
  168   1HG   GLU  20          HG2       GLU  20  -9.492   3.637   7.536
  169   2HG   GLU  20          HG1       GLU  20 -10.544   4.833   8.295
  170    H    ALA  21           HN       ALA  21 -10.263   3.199   2.753
  171    HA   ALA  21           HA       ALA  21 -10.382   5.867   1.381
  172   1HB   ALA  21          HB1       ALA  21  -8.723   3.470   0.957
  173   2HB   ALA  21          HB2       ALA  21  -8.453   5.128   0.419
  174   3HB   ALA  21          HB3       ALA  21  -9.501   4.058  -0.512
  175    H    VAL  22           HN       VAL  22 -11.869   5.943  -0.420
  176    HA   VAL  22           HA       VAL  22 -14.225   4.261  -0.109
  177    HB   VAL  22           HB       VAL  22 -14.320   6.651  -0.675
  178   1HG1  VAL  22          HG11      VAL  22 -12.545   7.286  -1.977
  179   2HG1  VAL  22          HG12      VAL  22 -13.704   7.005  -3.275
  180   3HG1  VAL  22          HG13      VAL  22 -12.517   5.769  -2.872
  181   1HG2  VAL  22          HG21      VAL  22 -16.077   6.486  -2.195
  182   2HG2  VAL  22          HG22      VAL  22 -15.962   4.819  -1.632
  183   3HG2  VAL  22          HG23      VAL  22 -15.249   5.279  -3.178
  184    H    ASP  23           HN       ASP  23 -11.371   4.159  -2.126
  185    HA   ASP  23           HA       ASP  23 -12.039   1.542  -3.168
  186   1HB   ASP  23          HB2       ASP  23 -12.275   2.279  -5.548
  187   2HB   ASP  23          HB1       ASP  23 -13.575   2.876  -4.522
  188    H    ALA  24           HN       ALA  24 -10.410   1.150  -5.179
  189    HA   ALA  24           HA       ALA  24  -7.776   1.249  -4.220
  190   1HB   ALA  24          HB1       ALA  24  -7.336   0.150  -6.185
  191   2HB   ALA  24          HB2       ALA  24  -8.186   1.350  -7.158
  192   3HB   ALA  24          HB3       ALA  24  -9.095   0.110  -6.294
  193    H    ALA  25           HN       ALA  25  -9.586   3.721  -5.916
  194    HA   ALA  25           HA       ALA  25  -7.479   5.298  -6.999
  195   1HB   ALA  25          HB1       ALA  25  -9.169   6.904  -7.263
  196   2HB   ALA  25          HB2       ALA  25  -9.940   6.482  -5.734
  197   3HB   ALA  25          HB3       ALA  25 -10.102   5.413  -7.128
  198    H    THR  26           HN       THR  26  -9.115   5.633  -3.825
  199    HA   THR  26           HA       THR  26  -7.176   7.621  -2.889
  200    HB   THR  26           HB       THR  26  -9.302   6.044  -1.404
  201    HG1  THR  26           HG1      THR  26 -10.580   7.907  -1.895
  202   1HG2  THR  26          HG21      THR  26  -8.167   7.137   0.277
  203   2HG2  THR  26          HG22      THR  26  -9.261   8.431  -0.210
  204   3HG2  THR  26          HG23      THR  26  -7.598   8.416  -0.795
  205    H    ALA  27           HN       ALA  27  -7.593   4.142  -2.653
  206    HA   ALA  27           HA       ALA  27  -6.011   3.576  -0.352
  207   1HB   ALA  27          HB1       ALA  27  -5.905   1.805  -2.756
  208   2HB   ALA  27          HB2       ALA  27  -7.492   2.155  -2.073
  209   3HB   ALA  27          HB3       ALA  27  -6.252   1.393  -1.077
  210    H    GLU  28           HN       GLU  28  -4.939   3.226  -3.758
  211    HA   GLU  28           HA       GLU  28  -2.148   3.028  -3.182
  212   1HB   GLU  28          HB2       GLU  28  -3.699   2.675  -5.338
  213   2HB   GLU  28          HB1       GLU  28  -3.126   4.302  -5.709
  214   1HG   GLU  28          HG2       GLU  28  -0.785   3.521  -5.416
  215   2HG   GLU  28          HG1       GLU  28  -1.385   1.889  -5.124
  216    H    LYS  29           HN       LYS  29  -4.183   5.864  -3.924
  217    HA   LYS  29           HA       LYS  29  -2.154   7.838  -4.136
  218   1HB   LYS  29          HB2       LYS  29  -4.650   7.996  -4.587
  219   2HB   LYS  29          HB1       LYS  29  -4.879   8.150  -2.845
  220   1HG   LYS  29          HG2       LYS  29  -3.295  10.111  -2.890
  221   2HG   LYS  29          HG1       LYS  29  -3.312  10.010  -4.651
  222   1HD   LYS  29          HD2       LYS  29  -5.972  10.001  -4.188
  223   2HD   LYS  29          HD1       LYS  29  -5.439  10.931  -2.787
  224   1HE   LYS  29          HE2       LYS  29  -4.305  12.544  -4.212
  225   2HE   LYS  29          HE1       LYS  29  -4.645  11.564  -5.652
  226   1HZ   LYS  29          HZ1       LYS  29  -6.282  13.390  -5.232
  227   2HZ   LYS  29          HZ2       LYS  29  -6.755  12.569  -3.823
  228   3HZ   LYS  29          HZ3       LYS  29  -6.966  11.843  -5.344
  229    H    VAL  30           HN       VAL  30  -3.751   6.488  -1.263
  230    HA   VAL  30           HA       VAL  30  -2.315   8.261   0.592
  231    HB   VAL  30           HB       VAL  30  -4.076   5.807   0.938
  232   1HG1  VAL  30          HG11      VAL  30  -2.845   7.728   2.910
  233   2HG1  VAL  30          HG12      VAL  30  -2.891   5.964   2.969
  234   3HG1  VAL  30          HG13      VAL  30  -4.356   6.897   3.281
  235   1HG2  VAL  30          HG21      VAL  30  -4.905   8.100  -0.096
  236   2HG2  VAL  30          HG22      VAL  30  -4.881   8.622   1.589
  237   3HG2  VAL  30          HG23      VAL  30  -5.886   7.257   1.102
  238    H    PHE  31           HN       PHE  31  -2.299   4.761  -0.174
  239    HA   PHE  31           HA       PHE  31  -0.140   4.062   1.573
  240   1HB   PHE  31          HB2       PHE  31  -1.508   2.898  -0.829
  241   2HB   PHE  31          HB1       PHE  31  -0.021   2.140  -0.258
  242    HD1  PHE  31           HD1      PHE  31  -0.056   2.262   2.583
  243    HD2  PHE  31           HD2      PHE  31  -3.383   1.733  -0.081
  244    HE1  PHE  31           HE1      PHE  31  -1.323   1.132   4.391
  245    HE2  PHE  31           HE2      PHE  31  -4.649   0.606   1.728
  246    HZ   PHE  31           HZ       PHE  31  -3.621   0.305   3.963
  247    H    LYS  32           HN       LYS  32  -0.202   5.261  -1.767
  248    HA   LYS  32           HA       LYS  32   2.557   4.767  -2.399
  249   1HB   LYS  32          HB2       LYS  32   0.766   5.340  -4.027
  250   2HB   LYS  32          HB1       LYS  32   0.666   6.958  -3.332
  251   1HG   LYS  32          HG2       LYS  32   2.663   7.632  -4.260
  252   2HG   LYS  32          HG1       LYS  32   3.357   6.011  -4.203
  253   1HD   LYS  32          HD2       LYS  32   1.747   5.350  -6.033
  254   2HD   LYS  32          HD1       LYS  32   1.301   7.051  -6.169
  255   1HE   LYS  32          HE2       LYS  32   3.862   7.476  -6.426
  256   2HE   LYS  32          HE1       LYS  32   3.943   5.745  -6.810
  257   1HZ   LYS  32          HZ1       LYS  32   3.526   7.088  -8.800
  258   2HZ   LYS  32          HZ2       LYS  32   2.106   7.699  -8.094
  259   3HZ   LYS  32          HZ3       LYS  32   2.229   6.047  -8.469
  260    H    GLN  33           HN       GLN  33   0.871   7.612  -1.045
  261    HA   GLN  33           HA       GLN  33   3.162   9.297  -0.746
  262   1HB   GLN  33          HB2       GLN  33   0.735   9.942  -0.622
  263   2HB   GLN  33          HB1       GLN  33   0.653   9.147   0.951
  264   1HG   GLN  33          HG2       GLN  33   1.028  11.478   1.384
  265   2HG   GLN  33          HG1       GLN  33   2.560  10.658   1.687
  266   1HE2  GLN  33          HE21      GLN  33   3.924  12.463   1.127
  267   2HE2  GLN  33          HE22      GLN  33   4.020  13.073  -0.454
  268    H    TYR  34           HN       TYR  34   1.883   6.688   1.161
  269    HA   TYR  34           HA       TYR  34   3.434   7.167   3.570
  270   1HB   TYR  34          HB2       TYR  34   1.489   5.875   3.845
  271   2HB   TYR  34          HB1       TYR  34   1.752   4.979   2.354
  272    HD1  TYR  34           HD1      TYR  34   2.822   5.352   5.881
  273    HD2  TYR  34           HD2      TYR  34   3.043   2.957   2.328
  274    HE1  TYR  34           HE1      TYR  34   3.866   3.514   7.185
  275    HE2  TYR  34           HE2      TYR  34   4.085   1.119   3.621
  276    HH   TYR  34           HH       TYR  34   4.135   1.078   7.033
  277    H    ALA  35           HN       ALA  35   3.738   4.776   0.915
  278    HA   ALA  35           HA       ALA  35   6.257   3.689   1.689
  279   1HB   ALA  35          HB1       ALA  35   5.245   2.412   0.071
  280   2HB   ALA  35          HB2       ALA  35   6.208   3.412  -1.018
  281   3HB   ALA  35          HB3       ALA  35   4.518   3.817  -0.715
  282    H    ASN  36           HN       ASN  36   5.456   6.469  -0.386
  283    HA   ASN  36           HA       ASN  36   8.021   7.039  -1.416
  284   1HB   ASN  36          HB2       ASN  36   5.570   8.045  -1.731
  285   2HB   ASN  36          HB1       ASN  36   6.182   9.249  -0.596
  286   1HD2  ASN  36          HD21      ASN  36   5.732   9.041  -3.765
  287   2HD2  ASN  36          HD22      ASN  36   7.133   9.792  -4.359
  288    H    ASP  37           HN       ASP  37   6.539   7.982   1.677
  289    HA   ASP  37           HA       ASP  37   8.652   9.752   2.535
  290   1HB   ASP  37          HB2       ASP  37   6.156   9.255   3.338
  291   2HB   ASP  37          HB1       ASP  37   6.984   8.173   4.458
  292    H    ASN  38           HN       ASN  38   8.044   6.274   3.007
  293    HA   ASN  38           HA       ASN  38  10.398   5.914   4.724
  294   1HB   ASN  38          HB2       ASN  38   8.492   4.008   3.326
  295   2HB   ASN  38          HB1       ASN  38   9.693   3.522   4.523
  296   1HD2  ASN  38          HD21      ASN  38   6.551   3.703   4.508
  297   2HD2  ASN  38          HD22      ASN  38   6.214   4.474   5.982
  298    H    GLY  39           HN       GLY  39   9.556   5.467   1.322
  299   1HA   GLY  39          HA2       GLY  39  11.264   5.608  -0.415
  300   2HA   GLY  39          HA1       GLY  39  12.434   4.963   0.736
  301    H    ILE  40           HN       ILE  40   9.174   3.829  -0.202
  302    HA   ILE  40           HA       ILE  40  10.357   1.124  -0.661
  303    HB   ILE  40           HB       ILE  40   7.536   2.106  -0.100
  304   1HG1  ILE  40          HG12      ILE  40   9.492   0.487   1.566
  305   2HG1  ILE  40          HG11      ILE  40   9.168   2.205   1.785
  306   1HG2  ILE  40          HG21      ILE  40   8.627  -0.568  -0.894
  307   2HG2  ILE  40          HG22      ILE  40   7.054   0.147  -1.260
  308   3HG2  ILE  40          HG23      ILE  40   7.367  -0.534   0.338
  309   1HD1  ILE  40          HD11      ILE  40   6.979   1.824   2.548
  310   2HD1  ILE  40          HD12      ILE  40   7.886   0.496   3.275
  311   3HD1  ILE  40          HD13      ILE  40   6.910   0.214   1.833
  312    H    ASP  41           HN       ASP  41  11.036   2.448  -2.797
  313    HA   ASP  41           HA       ASP  41   8.914   2.617  -4.833
  314   1HB   ASP  41          HB2       ASP  41  11.925   2.965  -4.762
  315   2HB   ASP  41          HB1       ASP  41  10.997   3.114  -6.255
  316    H    GLY  42           HN       GLY  42   8.659   0.123  -4.022
  317   1HA   GLY  42          HA2       GLY  42  10.465  -1.688  -5.493
  318   2HA   GLY  42          HA1       GLY  42   9.190  -2.169  -4.371
  319    H    GLU  43           HN       GLU  43   8.079  -3.566  -5.686
  320    HA   GLU  43           HA       GLU  43   6.980  -2.486  -8.216
  321   1HB   GLU  43          HB2       GLU  43   7.689  -5.257  -7.245
  322   2HB   GLU  43          HB1       GLU  43   6.687  -5.007  -8.675
  323   1HG   GLU  43          HG2       GLU  43   9.243  -3.474  -8.501
  324   2HG   GLU  43          HG1       GLU  43   9.350  -5.201  -8.846
  325    H    TRP  44           HN       TRP  44   4.957  -1.722  -7.750
  326    HA   TRP  44           HA       TRP  44   3.381  -2.773  -5.578
  327   1HB   TRP  44          HB2       TRP  44   3.037  -0.704  -7.727
  328   2HB   TRP  44          HB1       TRP  44   1.708  -1.114  -6.635
  329    HD1  TRP  44           HD1      TRP  44   5.435  -0.113  -6.406
  330    HE1  TRP  44           HE1      TRP  44   5.759   1.264  -4.248
  331    HE3  TRP  44           HE3      TRP  44   0.703  -0.333  -4.501
  332    HZ2  TRP  44           HZ2      TRP  44   4.216   2.134  -2.006
  333    HZ3  TRP  44           HZ3      TRP  44   0.157   0.779  -2.355
  334    HH2  TRP  44           HH2      TRP  44   1.906   2.016  -1.107
  335    H    THR  45           HN       THR  45   1.569  -3.997  -5.646
  336    HA   THR  45           HA       THR  45   0.345  -4.850  -8.185
  337    HB   THR  45           HB       THR  45   0.721  -7.287  -7.401
  338    HG1  THR  45           HG1      THR  45   2.385  -7.593  -5.999
  339   1HG2  THR  45          HG21      THR  45   2.602  -7.454  -8.765
  340   2HG2  THR  45          HG22      THR  45   3.311  -5.965  -8.140
  341   3HG2  THR  45          HG23      THR  45   1.951  -5.891  -9.260
  342    H    TYR  46           HN       TYR  46  -1.818  -5.124  -7.784
  343    HA   TYR  46           HA       TYR  46  -2.701  -5.070  -4.937
  344   1HB   TYR  46          HB2       TYR  46  -3.511  -3.254  -6.261
  345   2HB   TYR  46          HB1       TYR  46  -3.877  -4.303  -7.624
  346    HD1  TYR  46           HD1      TYR  46  -5.795  -5.933  -7.449
  347    HD2  TYR  46           HD2      TYR  46  -5.117  -2.859  -4.527
  348    HE1  TYR  46           HE1      TYR  46  -8.130  -6.173  -6.652
  349    HE2  TYR  46           HE2      TYR  46  -7.441  -3.097  -3.734
  350    HH   TYR  46           HH       TYR  46  -9.788  -4.191  -5.220
  351    H    ASP  47           HN       ASP  47  -4.528  -6.457  -4.332
  352    HA   ASP  47           HA       ASP  47  -4.853  -8.909  -6.025
  353   1HB   ASP  47          HB2       ASP  47  -3.382  -8.716  -3.705
  354   2HB   ASP  47          HB1       ASP  47  -4.953  -9.227  -3.088
  355    H    ASP  48           HN       ASP  48  -6.981  -8.832  -6.631
  356    HA   ASP  48           HA       ASP  48  -9.052  -7.425  -5.205
  357   1HB   ASP  48          HB2       ASP  48  -8.705  -8.374  -7.703
  358   2HB   ASP  48          HB1       ASP  48  -9.705  -9.673  -7.049
  359    H    ALA  49           HN       ALA  49  -7.728 -10.633  -4.850
  360    HA   ALA  49           HA       ALA  49  -9.882 -12.107  -3.823
  361   1HB   ALA  49          HB1       ALA  49  -7.244 -12.360  -2.480
  362   2HB   ALA  49          HB2       ALA  49  -7.236 -12.492  -4.239
  363   3HB   ALA  49          HB3       ALA  49  -8.219 -13.594  -3.276
  364    H    THR  50           HN       THR  50  -7.729  -9.828  -2.126
  365    HA   THR  50           HA       THR  50  -9.773  -9.554   0.021
  366    HB   THR  50           HB       THR  50  -8.002  -9.949   1.724
  367    HG1  THR  50           HG1      THR  50  -6.129  -9.534   0.760
  368   1HG2  THR  50          HG21      THR  50  -9.465 -11.807   0.794
  369   2HG2  THR  50          HG22      THR  50  -7.945 -12.336   1.516
  370   3HG2  THR  50          HG23      THR  50  -8.105 -12.248  -0.239
  371    H    LYS  51           HN       LYS  51  -8.334  -7.884  -2.208
  372    HA   LYS  51           HA       LYS  51  -7.518  -5.678  -2.452
  373   1HB   LYS  51          HB2       LYS  51  -9.560  -5.839  -0.413
  374   2HB   LYS  51          HB1       LYS  51  -8.414  -4.572   0.019
  375   1HG   LYS  51          HG2       LYS  51  -9.661  -3.289  -1.386
  376   2HG   LYS  51          HG1       LYS  51  -8.723  -4.088  -2.648
  377   1HD   LYS  51          HD2       LYS  51 -10.986  -4.376  -3.311
  378   2HD   LYS  51          HD1       LYS  51 -10.531  -5.921  -2.591
  379   1HE   LYS  51          HE2       LYS  51 -11.957  -5.655  -0.821
  380   2HE   LYS  51          HE1       LYS  51 -11.620  -3.917  -0.690
  381   1HZ   LYS  51          HZ1       LYS  51 -12.932  -3.504  -2.637
  382   2HZ   LYS  51          HZ2       LYS  51 -13.876  -4.400  -1.544
  383   3HZ   LYS  51          HZ3       LYS  51 -13.178  -5.163  -2.893
  384    H    THR  52           HN       THR  52  -5.226  -6.206  -2.210
  385    HA   THR  52           HA       THR  52  -4.077  -5.114   0.298
  386    HB   THR  52           HB       THR  52  -3.278  -7.830  -0.762
  387    HG1  THR  52           HG1      THR  52  -5.028  -7.260   1.391
  388   1HG2  THR  52          HG21      THR  52  -2.680  -6.167   1.661
  389   2HG2  THR  52          HG22      THR  52  -1.576  -7.092   0.644
  390   3HG2  THR  52          HG23      THR  52  -2.628  -7.925   1.788
  391    H    PHE  53           HN       PHE  53  -2.936  -3.472  -0.763
  392    HA   PHE  53           HA       PHE  53  -1.561  -3.735  -3.281
  393   1HB   PHE  53          HB2       PHE  53  -1.325  -1.893  -0.884
  394   2HB   PHE  53          HB1       PHE  53  -0.362  -1.660  -2.342
  395    HD1  PHE  53           HD1      PHE  53  -1.439  -1.103  -4.492
  396    HD2  PHE  53           HD2      PHE  53  -3.707  -1.456  -0.862
  397    HE1  PHE  53           HE1      PHE  53  -3.344   0.064  -5.569
  398    HE2  PHE  53           HE2      PHE  53  -5.613  -0.290  -1.936
  399    HZ   PHE  53           HZ       PHE  53  -5.430   0.472  -4.292
  400    H    THR  54           HN       THR  54   0.472  -4.636  -3.693
  401    HA   THR  54           HA       THR  54   2.107  -5.404  -1.283
  402    HB   THR  54           HB       THR  54   1.662  -6.900  -3.882
  403    HG1  THR  54           HG1      THR  54  -0.165  -7.024  -2.678
  404   1HG2  THR  54          HG21      THR  54   2.740  -8.248  -1.475
  405   2HG2  THR  54          HG22      THR  54   3.837  -7.121  -2.270
  406   3HG2  THR  54          HG23      THR  54   3.156  -8.473  -3.174
  407    H    VAL  55           HN       VAL  55   3.752  -3.801  -1.416
  408    HA   VAL  55           HA       VAL  55   5.221  -3.575  -3.974
  409    HB   VAL  55           HB       VAL  55   4.400  -1.473  -2.872
  410   1HG1  VAL  55          HG11      VAL  55   4.737  -2.359  -0.521
  411   2HG1  VAL  55          HG12      VAL  55   5.334  -0.720  -0.800
  412   3HG1  VAL  55          HG13      VAL  55   6.462  -2.084  -0.768
  413   1HG2  VAL  55          HG21      VAL  55   7.410  -1.679  -2.829
  414   2HG2  VAL  55          HG22      VAL  55   6.444  -0.240  -3.140
  415   3HG2  VAL  55          HG23      VAL  55   6.463  -1.557  -4.312
  416    H    THR  56           HN       THR  56   7.664  -3.445  -3.684
  417    HA   THR  56           HA       THR  56   8.823  -4.765  -1.332
  418    HB   THR  56           HB       THR  56   8.676  -6.048  -4.075
  419    HG1  THR  56           HG1      THR  56   6.900  -6.750  -3.213
  420   1HG2  THR  56          HG21      THR  56  10.703  -6.880  -3.388
  421   2HG2  THR  56          HG22      THR  56   9.673  -7.980  -2.472
  422   3HG2  THR  56          HG23      THR  56  10.370  -6.564  -1.685
  423    H    GLU  57           HN       GLU  57  10.532  -3.343  -1.102
  424    HA   GLU  57           HA       GLU  57  12.074  -2.548  -3.546
  425   1HB   GLU  57          HB2       GLU  57  10.963  -0.787  -2.158
  426   2HB   GLU  57          HB1       GLU  57  11.933  -1.305  -0.779
  427   1HG   GLU  57          HG2       GLU  57  13.386  -0.683  -3.307
  428   2HG   GLU  57          HG1       GLU  57  12.727   0.678  -2.399
  Start of MODEL    5
    1   1H    MET   1          HT1       MET   1  15.779  -2.395   5.915
    2   2H    MET   1          HT2       MET   1  16.613  -1.919   4.514
    3   3H    MET   1          HT3       MET   1  16.684  -3.532   5.041
    4    HA   MET   1           HA       MET   1  15.170  -3.497   3.223
    5   1HB   MET   1          HB2       MET   1  14.092  -3.650   6.032
    6   2HB   MET   1          HB1       MET   1  13.027  -3.963   4.660
    7   1HG   MET   1          HG2       MET   1  14.661  -5.667   3.837
    8   2HG   MET   1          HG1       MET   1  15.613  -5.411   5.300
    9   1HE   MET   1          HE1       MET   1  14.911  -5.427   7.407
   10   2HE   MET   1          HE2       MET   1  14.156  -6.875   8.070
   11   3HE   MET   1          HE3       MET   1  13.201  -5.409   7.860
   12    H    THR   2           HN       THR   2  13.742  -2.303   1.968
   13    HA   THR   2           HA       THR   2  13.332   0.509   2.587
   14    HB   THR   2           HB       THR   2  12.129  -1.276   0.446
   15    HG1  THR   2           HG1      THR   2  14.297  -1.380   0.221
   16   1HG2  THR   2          HG21      THR   2  10.945   0.819   0.572
   17   2HG2  THR   2          HG22      THR   2  12.041   0.914  -0.808
   18   3HG2  THR   2          HG23      THR   2  12.455   1.722   0.704
   19    H    THR   3           HN       THR   3  11.843   1.069   4.131
   20    HA   THR   3           HA       THR   3   9.485  -0.562   4.655
   21    HB   THR   3           HB       THR   3  10.396   2.094   5.788
   22    HG1  THR   3           HG1      THR   3  11.974   0.740   6.315
   23   1HG2  THR   3          HG21      THR   3   7.972   1.240   6.131
   24   2HG2  THR   3          HG22      THR   3   8.890   1.716   7.559
   25   3HG2  THR   3          HG23      THR   3   8.707   0.009   7.157
   26    H    PHE   4           HN       PHE   4   8.126  -0.315   2.796
   27    HA   PHE   4           HA       PHE   4   7.485   2.323   1.705
   28   1HB   PHE   4          HB2       PHE   4   6.334  -0.464   1.368
   29   2HB   PHE   4          HB1       PHE   4   5.816   0.925   0.415
   30    HD1  PHE   4           HD1      PHE   4   8.510  -1.480   1.053
   31    HD2  PHE   4           HD2      PHE   4   7.346   1.989  -1.195
   32    HE1  PHE   4           HE1      PHE   4  10.420  -1.838  -0.487
   33    HE2  PHE   4           HE2      PHE   4   9.256   1.633  -2.736
   34    HZ   PHE   4           HZ       PHE   4  10.792  -0.282  -2.382
   35    H    LYS   5           HN       LYS   5   4.975   2.810   1.532
   36    HA   LYS   5           HA       LYS   5   3.563   2.171   4.086
   37   1HB   LYS   5          HB2       LYS   5   4.684   4.749   3.138
   38   2HB   LYS   5          HB1       LYS   5   3.048   4.833   3.793
   39   1HG   LYS   5          HG2       LYS   5   3.713   4.209   5.915
   40   2HG   LYS   5          HG1       LYS   5   5.078   3.261   5.322
   41   1HD   LYS   5          HD2       LYS   5   6.476   5.081   5.217
   42   2HD   LYS   5          HD1       LYS   5   5.166   6.196   4.826
   43   1HE   LYS   5          HE2       LYS   5   4.412   6.229   7.130
   44   2HE   LYS   5          HE1       LYS   5   5.554   4.943   7.567
   45   1HZ   LYS   5          HZ1       LYS   5   7.384   6.341   6.963
   46   2HZ   LYS   5          HZ2       LYS   5   6.405   7.204   8.051
   47   3HZ   LYS   5          HZ3       LYS   5   6.345   7.553   6.389
   48    H    LEU   6           HN       LEU   6   1.494   1.572   3.575
   49    HA   LEU   6           HA       LEU   6   0.363   2.427   0.947
   50   1HB   LEU   6          HB2       LEU   6   0.543   0.024   1.352
   51   2HB   LEU   6          HB1       LEU   6  -0.316   0.188   2.883
   52    HG   LEU   6           HG       LEU   6  -2.295   1.074   1.597
   53   1HD1  LEU   6          HD11      LEU   6  -2.257   0.478  -0.887
   54   2HD1  LEU   6          HD12      LEU   6  -0.508   0.316  -0.721
   55   3HD1  LEU   6          HD13      LEU   6  -1.283   1.870  -0.413
   56   1HD2  LEU   6          HD21      LEU   6  -1.189  -1.691   1.258
   57   2HD2  LEU   6          HD22      LEU   6  -2.669  -1.261   0.400
   58   3HD2  LEU   6          HD23      LEU   6  -2.609  -1.158   2.160
   59    H    ILE   7           HN       ILE   7  -1.061   4.115   1.063
   60    HA   ILE   7           HA       ILE   7  -2.224   5.036   3.549
   61    HB   ILE   7           HB       ILE   7  -1.643   6.178   1.202
   62   1HG1  ILE   7          HG12      ILE   7  -3.464   7.928   1.800
   63   2HG1  ILE   7          HG11      ILE   7  -3.802   6.870   3.169
   64   1HG2  ILE   7          HG21      ILE   7  -4.620   5.745   0.878
   65   2HG2  ILE   7          HG22      ILE   7  -3.413   4.807   0.001
   66   3HG2  ILE   7          HG23      ILE   7  -3.519   6.550  -0.238
   67   1HD1  ILE   7          HD11      ILE   7  -2.171   8.179   4.136
   68   2HD1  ILE   7          HD12      ILE   7  -1.379   8.512   2.595
   69   3HD1  ILE   7          HD13      ILE   7  -1.135   6.959   3.395
   70    H    ILE   8           HN       ILE   8  -4.770   5.218   3.683
   71    HA   ILE   8           HA       ILE   8  -6.000   2.694   2.629
   72    HB   ILE   8           HB       ILE   8  -6.229   3.891   5.414
   73   1HG1  ILE   8          HG12      ILE   8  -4.913   1.310   4.511
   74   2HG1  ILE   8          HG11      ILE   8  -4.029   2.796   4.864
   75   1HG2  ILE   8          HG21      ILE   8  -8.267   2.679   4.529
   76   2HG2  ILE   8          HG22      ILE   8  -7.552   1.949   5.966
   77   3HG2  ILE   8          HG23      ILE   8  -7.264   1.237   4.378
   78   1HD1  ILE   8          HD11      ILE   8  -3.910   1.818   6.946
   79   2HD1  ILE   8          HD12      ILE   8  -5.414   0.925   6.729
   80   3HD1  ILE   8          HD13      ILE   8  -5.458   2.642   7.126
   81    H    ASN   9           HN       ASN   9  -6.821   4.376   1.003
   82    HA   ASN   9           HA       ASN   9  -8.999   6.098   2.089
   83   1HB   ASN   9          HB2       ASN   9  -7.117   6.151  -0.130
   84   2HB   ASN   9          HB1       ASN   9  -8.766   6.347  -0.722
   85   1HD2  ASN   9          HD21      ASN   9  -6.215   8.191   0.192
   86   2HD2  ASN   9          HD22      ASN   9  -7.026   9.523   0.862
   87    H    GLY  10           HN       GLY  10  -9.475   3.384   2.306
   88   1HA   GLY  10          HA2       GLY  10 -11.257   2.684   0.022
   89   2HA   GLY  10          HA1       GLY  10 -10.645   1.543   1.223
   90    H    LYS  11           HN       LYS  11 -13.359   1.656   0.640
   91    HA   LYS  11           HA       LYS  11 -14.750   3.297   2.636
   92   1HB   LYS  11          HB2       LYS  11 -15.566   2.584   0.331
   93   2HB   LYS  11          HB1       LYS  11 -15.765   0.962   0.995
   94   1HG   LYS  11          HG2       LYS  11 -17.265   1.895   2.750
   95   2HG   LYS  11          HG1       LYS  11 -17.116   3.485   2.000
   96   1HD   LYS  11          HD2       LYS  11 -19.034   2.764   0.942
   97   2HD   LYS  11          HD1       LYS  11 -17.837   2.105  -0.174
   98   1HE   LYS  11          HE2       LYS  11 -18.265  -0.061   0.447
   99   2HE   LYS  11          HE1       LYS  11 -18.515   0.375   2.149
  100   1HZ   LYS  11          HZ1       LYS  11 -20.385   0.889  -0.103
  101   2HZ   LYS  11          HZ2       LYS  11 -20.600   1.472   1.478
  102   3HZ   LYS  11          HZ3       LYS  11 -20.624  -0.200   1.175
  103    H    THR  12           HN       THR  12 -12.868   0.548   2.951
  104    HA   THR  12           HA       THR  12 -14.624  -0.668   5.045
  105    HB   THR  12           HB       THR  12 -12.157  -1.715   3.616
  106    HG1  THR  12           HG1      THR  12 -13.528  -2.661   2.248
  107   1HG2  THR  12          HG21      THR  12 -14.197  -3.427   4.980
  108   2HG2  THR  12          HG22      THR  12 -12.998  -2.597   5.971
  109   3HG2  THR  12          HG23      THR  12 -12.478  -3.725   4.719
  110    H    LEU  13           HN       LEU  13 -11.451   0.787   4.432
  111    HA   LEU  13           HA       LEU  13 -11.021   0.899   7.398
  112   1HB   LEU  13          HB2       LEU  13  -9.196  -0.102   5.208
  113   2HB   LEU  13          HB1       LEU  13  -8.562   0.420   6.769
  114    HG   LEU  13           HG       LEU  13 -10.786  -1.613   6.530
  115   1HD1  LEU  13          HD11      LEU  13  -9.018  -2.703   5.409
  116   2HD1  LEU  13          HD12      LEU  13  -8.840  -3.238   7.080
  117   3HD1  LEU  13          HD13      LEU  13  -7.793  -1.970   6.444
  118   1HD2  LEU  13          HD21      LEU  13 -10.554  -1.861   8.802
  119   2HD2  LEU  13          HD22      LEU  13  -9.967  -0.202   8.684
  120   3HD2  LEU  13          HD23      LEU  13  -8.820  -1.540   8.765
  121    H    LYS  14           HN       LYS  14  -9.256   2.529   7.929
  122    HA   LYS  14           HA       LYS  14  -8.760   4.620   5.901
  123   1HB   LYS  14          HB2       LYS  14 -10.985   4.671   7.692
  124   2HB   LYS  14          HB1       LYS  14  -9.847   5.896   8.250
  125   1HG   LYS  14          HG2       LYS  14  -9.732   6.503   5.675
  126   2HG   LYS  14          HG1       LYS  14 -11.311   5.717   5.641
  127   1HD   LYS  14          HD2       LYS  14 -12.274   7.288   7.079
  128   2HD   LYS  14          HD1       LYS  14 -10.716   7.770   7.754
  129   1HE   LYS  14          HE2       LYS  14 -10.159   9.071   5.859
  130   2HE   LYS  14          HE1       LYS  14 -11.371   8.265   4.843
  131   1HZ   LYS  14          HZ1       LYS  14 -13.090   9.131   6.373
  132   2HZ   LYS  14          HZ2       LYS  14 -12.256  10.363   5.552
  133   3HZ   LYS  14          HZ3       LYS  14 -11.896  10.026   7.178
  134    H    GLY  15           HN       GLY  15  -6.782   5.569   6.319
  135   1HA   GLY  15          HA2       GLY  15  -5.475   6.588   8.332
  136   2HA   GLY  15          HA1       GLY  15  -5.486   4.927   8.923
  137    H    GLU  16           HN       GLU  16  -3.269   4.536   8.765
  138    HA   GLU  16           HA       GLU  16  -2.180   4.409   5.978
  139   1HB   GLU  16          HB2       GLU  16  -0.949   5.557   8.498
  140   2HB   GLU  16          HB1       GLU  16  -0.008   5.201   7.049
  141   1HG   GLU  16          HG2       GLU  16  -1.942   6.616   5.882
  142   2HG   GLU  16          HG1       GLU  16  -2.074   7.314   7.497
  143    H    THR  17           HN       THR  17  -0.389   2.839   5.789
  144    HA   THR  17           HA       THR  17  -0.277   0.813   7.992
  145    HB   THR  17           HB       THR  17  -0.525   0.214   5.030
  146    HG1  THR  17           HG1      THR  17  -2.424   1.163   5.671
  147   1HG2  THR  17          HG21      THR  17   0.498  -1.510   6.550
  148   2HG2  THR  17          HG22      THR  17  -0.992  -2.040   5.770
  149   3HG2  THR  17          HG23      THR  17  -1.013  -1.528   7.458
  150    H    THR  18           HN       THR  18   1.688  -0.525   7.887
  151    HA   THR  18           HA       THR  18   3.852   0.483   6.093
  152    HB   THR  18           HB       THR  18   5.299   0.554   8.201
  153    HG1  THR  18           HG1      THR  18   4.164   0.677  10.136
  154   1HG2  THR  18          HG21      THR  18   3.025   2.499   8.439
  155   2HG2  THR  18          HG22      THR  18   4.038   2.514   6.996
  156   3HG2  THR  18          HG23      THR  18   4.758   2.790   8.582
  157    H    THR  19           HN       THR  19   5.604  -1.047   5.859
  158    HA   THR  19           HA       THR  19   5.477  -3.649   7.224
  159    HB   THR  19           HB       THR  19   3.721  -3.818   5.501
  160    HG1  THR  19           HG1      THR  19   4.378  -5.752   5.037
  161   1HG2  THR  19          HG21      THR  19   5.783  -3.532   3.342
  162   2HG2  THR  19          HG22      THR  19   5.045  -2.081   4.017
  163   3HG2  THR  19          HG23      THR  19   4.036  -3.309   3.253
  164    H    GLU  20           HN       GLU  20   7.349  -5.008   6.625
  165    HA   GLU  20           HA       GLU  20   9.683  -3.368   5.808
  166   1HB   GLU  20          HB2       GLU  20   9.142  -5.931   7.261
  167   2HB   GLU  20          HB1       GLU  20  10.729  -5.716   6.522
  168   1HG   GLU  20          HG2       GLU  20  11.329  -4.040   7.967
  169   2HG   GLU  20          HG1       GLU  20   9.683  -3.416   8.090
  170    H    ALA  21           HN       ALA  21  10.334  -3.436   3.698
  171    HA   ALA  21           HA       ALA  21  10.216  -6.014   2.213
  172   1HB   ALA  21          HB1       ALA  21   8.875  -5.122   0.488
  173   2HB   ALA  21          HB2       ALA  21   9.197  -3.459   0.976
  174   3HB   ALA  21          HB3       ALA  21   8.128  -4.472   1.946
  175    H    VAL  22           HN       VAL  22  11.980  -6.228   0.840
  176    HA   VAL  22           HA       VAL  22  14.240  -4.532   1.047
  177    HB   VAL  22           HB       VAL  22  15.043  -5.916  -0.841
  178   1HG1  VAL  22          HG11      VAL  22  14.527  -6.752   1.645
  179   2HG1  VAL  22          HG12      VAL  22  15.179  -7.833   0.413
  180   3HG1  VAL  22          HG13      VAL  22  13.452  -7.842   0.768
  181   1HG2  VAL  22          HG21      VAL  22  12.112  -6.431  -1.127
  182   2HG2  VAL  22          HG22      VAL  22  13.226  -7.741  -1.512
  183   3HG2  VAL  22          HG23      VAL  22  13.335  -6.209  -2.377
  184    H    ASP  23           HN       ASP  23  11.541  -4.524  -1.240
  185    HA   ASP  23           HA       ASP  23  12.061  -1.787  -2.045
  186   1HB   ASP  23          HB2       ASP  23  12.635  -2.367  -4.426
  187   2HB   ASP  23          HB1       ASP  23  13.873  -2.848  -3.270
  188    H    ALA  24           HN       ALA  24  10.654  -1.408  -4.217
  189    HA   ALA  24           HA       ALA  24   7.945  -1.813  -3.601
  190   1HB   ALA  24          HB1       ALA  24   9.509  -1.185  -6.089
  191   2HB   ALA  24          HB2       ALA  24   8.456  -0.130  -5.147
  192   3HB   ALA  24          HB3       ALA  24   7.758  -1.373  -6.184
  193    H    ALA  25           HN       ALA  25  10.184  -3.964  -5.225
  194    HA   ALA  25           HA       ALA  25   8.387  -5.658  -6.640
  195   1HB   ALA  25          HB1       ALA  25  11.072  -5.483  -6.235
  196   2HB   ALA  25          HB2       ALA  25  10.296  -6.893  -6.955
  197   3HB   ALA  25          HB3       ALA  25  10.698  -6.889  -5.238
  198    H    THR  26           HN       THR  26   9.096  -5.418  -3.208
  199    HA   THR  26           HA       THR  26   7.380  -7.820  -2.683
  200    HB   THR  26           HB       THR  26   9.429  -6.444  -0.918
  201    HG1  THR  26           HG1      THR  26  10.478  -7.319  -2.663
  202   1HG2  THR  26          HG21      THR  26   9.342  -8.714   0.228
  203   2HG2  THR  26          HG22      THR  26   7.907  -9.051  -0.740
  204   3HG2  THR  26          HG23      THR  26   7.899  -7.715   0.412
  205    H    ALA  27           HN       ALA  27   7.809  -4.386  -2.079
  206    HA   ALA  27           HA       ALA  27   6.130  -4.004   0.182
  207   1HB   ALA  27          HB1       ALA  27   7.658  -2.441  -1.363
  208   2HB   ALA  27          HB2       ALA  27   6.365  -1.765  -0.372
  209   3HB   ALA  27          HB3       ALA  27   6.097  -2.058  -2.091
  210    H    GLU  28           HN       GLU  28   5.204  -3.505  -3.247
  211    HA   GLU  28           HA       GLU  28   2.391  -3.284  -2.804
  212   1HB   GLU  28          HB2       GLU  28   3.779  -2.691  -4.852
  213   2HB   GLU  28          HB1       GLU  28   3.802  -4.412  -5.241
  214   1HG   GLU  28          HG2       GLU  28   1.404  -4.479  -5.447
  215   2HG   GLU  28          HG1       GLU  28   1.249  -2.845  -4.800
  216    H    LYS  29           HN       LYS  29   4.451  -6.132  -3.362
  217    HA   LYS  29           HA       LYS  29   2.437  -8.088  -3.807
  218   1HB   LYS  29          HB2       LYS  29   4.965  -8.277  -3.983
  219   2HB   LYS  29          HB1       LYS  29   5.002  -8.429  -2.226
  220   1HG   LYS  29          HG2       LYS  29   3.627 -10.431  -2.317
  221   2HG   LYS  29          HG1       LYS  29   3.407 -10.244  -4.057
  222   1HD   LYS  29          HD2       LYS  29   6.070 -10.257  -4.038
  223   2HD   LYS  29          HD1       LYS  29   5.818 -11.150  -2.538
  224   1HE   LYS  29          HE2       LYS  29   4.641 -12.896  -3.639
  225   2HE   LYS  29          HE1       LYS  29   4.378 -11.910  -5.091
  226   1HZ   LYS  29          HZ1       LYS  29   7.061 -12.660  -4.063
  227   2HZ   LYS  29          HZ2       LYS  29   6.705 -11.889  -5.534
  228   3HZ   LYS  29          HZ3       LYS  29   6.257 -13.510  -5.291
  229    H    VAL  30           HN       VAL  30   3.732  -6.771  -0.766
  230    HA   VAL  30           HA       VAL  30   2.045  -8.518   0.896
  231    HB   VAL  30           HB       VAL  30   3.854  -6.141   1.465
  232   1HG1  VAL  30          HG11      VAL  30   2.424  -6.262   3.343
  233   2HG1  VAL  30          HG12      VAL  30   3.818  -7.235   3.817
  234   3HG1  VAL  30          HG13      VAL  30   2.336  -8.022   3.273
  235   1HG2  VAL  30          HG21      VAL  30   5.187  -7.924   0.641
  236   2HG2  VAL  30          HG22      VAL  30   4.226  -9.140   1.482
  237   3HG2  VAL  30          HG23      VAL  30   5.293  -8.072   2.394
  238    H    PHE  31           HN       PHE  31   2.219  -5.018   0.137
  239    HA   PHE  31           HA       PHE  31  -0.082  -4.235   1.648
  240   1HB   PHE  31          HB2       PHE  31   1.510  -3.152  -0.660
  241   2HB   PHE  31          HB1       PHE  31   0.011  -2.344  -0.204
  242    HD1  PHE  31           HD1      PHE  31   3.307  -1.894   0.136
  243    HD2  PHE  31           HD2      PHE  31  -0.088  -2.531   2.691
  244    HE1  PHE  31           HE1      PHE  31   4.484  -0.751   1.993
  245    HE2  PHE  31           HE2      PHE  31   1.094  -1.387   4.546
  246    HZ   PHE  31           HZ       PHE  31   3.381  -0.497   4.196
  247    H    LYS  32           HN       LYS  32   0.277  -5.478  -1.661
  248    HA   LYS  32           HA       LYS  32  -2.400  -4.953  -2.555
  249   1HB   LYS  32          HB2       LYS  32  -0.477  -5.575  -4.003
  250   2HB   LYS  32          HB1       LYS  32  -0.466  -7.186  -3.282
  251   1HG   LYS  32          HG2       LYS  32  -2.565  -7.746  -4.228
  252   2HG   LYS  32          HG1       LYS  32  -2.944  -6.062  -4.591
  253   1HD   LYS  32          HD2       LYS  32  -0.893  -6.104  -6.138
  254   2HD   LYS  32          HD1       LYS  32  -0.945  -7.859  -5.967
  255   1HE   LYS  32          HE2       LYS  32  -2.941  -8.052  -7.142
  256   2HE   LYS  32          HE1       LYS  32  -3.481  -6.423  -6.691
  257   1HZ   LYS  32          HZ1       LYS  32  -1.686  -5.505  -8.044
  258   2HZ   LYS  32          HZ2       LYS  32  -2.737  -6.451  -8.987
  259   3HZ   LYS  32          HZ3       LYS  32  -1.225  -7.067  -8.516
  260    H    GLN  33           HN       GLN  33  -0.901  -7.827  -1.049
  261    HA   GLN  33           HA       GLN  33  -3.250  -9.453  -0.931
  262   1HB   GLN  33          HB2       GLN  33  -0.760 -10.010  -0.561
  263   2HB   GLN  33          HB1       GLN  33  -1.004  -9.426   1.085
  264   1HG   GLN  33          HG2       GLN  33  -1.423 -11.729   1.286
  265   2HG   GLN  33          HG1       GLN  33  -3.042 -11.052   1.108
  266   1HE2  GLN  33          HE21      GLN  33  -4.283 -11.814  -0.635
  267   2HE2  GLN  33          HE22      GLN  33  -3.673 -12.767  -1.901
  268    H    TYR  34           HN       TYR  34  -2.004  -6.925   1.111
  269    HA   TYR  34           HA       TYR  34  -3.751  -7.312   3.382
  270   1HB   TYR  34          HB2       TYR  34  -1.794  -6.045   3.748
  271   2HB   TYR  34          HB1       TYR  34  -1.980  -5.143   2.249
  272    HD1  TYR  34           HD1      TYR  34  -3.219  -5.523   5.719
  273    HD2  TYR  34           HD2      TYR  34  -3.271  -3.121   2.164
  274    HE1  TYR  34           HE1      TYR  34  -4.326  -3.689   6.975
  275    HE2  TYR  34           HE2      TYR  34  -4.376  -1.286   3.411
  276    HH   TYR  34           HH       TYR  34  -4.352  -0.777   6.326
  277    H    ALA  35           HN       ALA  35  -3.850  -5.071   0.593
  278    HA   ALA  35           HA       ALA  35  -6.438  -3.953   1.209
  279   1HB   ALA  35          HB1       ALA  35  -6.094  -3.608  -1.480
  280   2HB   ALA  35          HB2       ALA  35  -4.439  -3.962  -0.981
  281   3HB   ALA  35          HB3       ALA  35  -5.308  -2.603  -0.262
  282    H    ASN  36           HN       ASN  36  -5.363  -6.670  -0.811
  283    HA   ASN  36           HA       ASN  36  -7.773  -7.263  -2.155
  284   1HB   ASN  36          HB2       ASN  36  -5.511  -8.236  -2.569
  285   2HB   ASN  36          HB1       ASN  36  -5.672  -9.168  -1.080
  286   1HD2  ASN  36          HD21      ASN  36  -6.371 -11.266  -1.472
  287   2HD2  ASN  36          HD22      ASN  36  -7.408 -11.734  -2.732
  288    H    ASP  37           HN       ASP  37  -6.587  -8.482   0.991
  289    HA   ASP  37           HA       ASP  37  -8.786 -10.194   1.598
  290   1HB   ASP  37          HB2       ASP  37  -6.419  -9.727   2.697
  291   2HB   ASP  37          HB1       ASP  37  -7.346  -8.619   3.710
  292    H    ASN  38           HN       ASN  38  -8.182  -6.870   2.805
  293    HA   ASN  38           HA       ASN  38 -10.754  -6.534   4.029
  294   1HB   ASN  38          HB2       ASN  38  -8.570  -4.709   3.018
  295   2HB   ASN  38          HB1       ASN  38 -10.041  -4.049   3.737
  296   1HD2  ASN  38          HD21      ASN  38  -6.988  -5.546   4.448
  297   2HD2  ASN  38          HD22      ASN  38  -7.202  -5.668   6.128
  298    H    GLY  39           HN       GLY  39  -9.518  -5.515   0.830
  299   1HA   GLY  39          HA2       GLY  39 -11.064  -5.774  -1.113
  300   2HA   GLY  39          HA1       GLY  39 -12.361  -5.216  -0.055
  301    H    ILE  40           HN       ILE  40  -9.120  -4.082  -1.096
  302    HA   ILE  40           HA       ILE  40 -10.299  -1.334  -1.346
  303    HB   ILE  40           HB       ILE  40  -7.511  -2.289  -0.609
  304   1HG1  ILE  40          HG12      ILE  40  -9.600  -0.753   0.969
  305   2HG1  ILE  40          HG11      ILE  40  -9.286  -2.480   1.139
  306   1HG2  ILE  40          HG21      ILE  40  -7.412   0.327  -0.059
  307   2HG2  ILE  40          HG22      ILE  40  -8.583   0.399  -1.374
  308   3HG2  ILE  40          HG23      ILE  40  -6.981  -0.286  -1.658
  309   1HD1  ILE  40          HD11      ILE  40  -7.293  -2.151   2.236
  310   2HD1  ILE  40          HD12      ILE  40  -8.089  -0.646   2.697
  311   3HD1  ILE  40          HD13      ILE  40  -6.937  -0.661   1.361
  312    H    ASP  41           HN       ASP  41 -10.789  -2.571  -3.579
  313    HA   ASP  41           HA       ASP  41  -8.516  -2.643  -5.450
  314   1HB   ASP  41          HB2       ASP  41 -10.767  -4.045  -5.289
  315   2HB   ASP  41          HB1       ASP  41 -11.416  -2.705  -6.234
  316    H    GLY  42           HN       GLY  42  -8.365  -0.171  -4.540
  317   1HA   GLY  42          HA2       GLY  42 -10.088   1.673  -6.060
  318   2HA   GLY  42          HA1       GLY  42  -8.864   2.125  -4.872
  319    H    GLU  43           HN       GLU  43  -7.637   3.523  -6.043
  320    HA   GLU  43           HA       GLU  43  -6.449   2.542  -8.575
  321   1HB   GLU  43          HB2       GLU  43  -7.178   5.289  -7.543
  322   2HB   GLU  43          HB1       GLU  43  -6.149   5.065  -8.958
  323   1HG   GLU  43          HG2       GLU  43  -8.916   3.862  -8.674
  324   2HG   GLU  43          HG1       GLU  43  -8.579   5.371  -9.524
  325    H    TRP  44           HN       TRP  44  -4.491   1.703  -7.950
  326    HA   TRP  44           HA       TRP  44  -3.016   2.716  -5.701
  327   1HB   TRP  44          HB2       TRP  44  -2.554   0.686  -7.866
  328   2HB   TRP  44          HB1       TRP  44  -1.308   1.052  -6.665
  329    HD1  TRP  44           HD1      TRP  44  -5.049   0.083  -6.762
  330    HE1  TRP  44           HE1      TRP  44  -5.559  -1.332  -4.665
  331    HE3  TRP  44           HE3      TRP  44  -0.492   0.234  -4.462
  332    HZ2  TRP  44           HZ2      TRP  44  -4.215  -2.254  -2.321
  333    HZ3  TRP  44           HZ3      TRP  44  -0.135  -0.922  -2.299
  334    HH2  TRP  44           HH2      TRP  44  -1.989  -2.171  -1.228
  335    H    THR  45           HN       THR  45  -1.218   3.933  -5.632
  336    HA   THR  45           HA       THR  45   0.145   4.832  -8.094
  337    HB   THR  45           HB       THR  45  -0.136   7.236  -7.054
  338    HG1  THR  45           HG1      THR  45  -1.851   7.481  -5.772
  339   1HG2  THR  45          HG21      THR  45  -2.166   7.572  -8.410
  340   2HG2  THR  45          HG22      THR  45  -2.422   5.828  -8.460
  341   3HG2  THR  45          HG23      THR  45  -1.011   6.535  -9.248
  342    H    TYR  46           HN       TYR  46   2.299   4.969  -7.624
  343    HA   TYR  46           HA       TYR  46   3.097   4.747  -4.757
  344   1HB   TYR  46          HB2       TYR  46   3.798   2.899  -6.080
  345   2HB   TYR  46          HB1       TYR  46   4.237   3.925  -7.438
  346    HD1  TYR  46           HD1      TYR  46   5.308   2.589  -4.179
  347    HD2  TYR  46           HD2      TYR  46   6.345   5.181  -7.444
  348    HE1  TYR  46           HE1      TYR  46   7.653   2.625  -3.402
  349    HE2  TYR  46           HE2      TYR  46   8.696   5.223  -6.662
  350    HH   TYR  46           HH       TYR  46  10.145   3.360  -5.121
  351    H    ASP  47           HN       ASP  47   4.292   6.379  -3.836
  352    HA   ASP  47           HA       ASP  47   5.064   8.703  -5.548
  353   1HB   ASP  47          HB2       ASP  47   3.528   8.643  -3.375
  354   2HB   ASP  47          HB1       ASP  47   5.086   8.694  -2.550
  355    H    ASP  48           HN       ASP  48   7.183   8.577  -6.175
  356    HA   ASP  48           HA       ASP  48   9.200   7.011  -4.825
  357   1HB   ASP  48          HB2       ASP  48   9.020   7.753  -7.275
  358   2HB   ASP  48          HB1       ASP  48   9.628   9.319  -6.735
  359    H    ALA  49           HN       ALA  49   8.065  10.301  -4.437
  360    HA   ALA  49           HA       ALA  49  10.282  11.615  -3.335
  361   1HB   ALA  49          HB1       ALA  49   7.962  12.485  -3.891
  362   2HB   ALA  49          HB2       ALA  49   8.631  13.087  -2.375
  363   3HB   ALA  49          HB3       ALA  49   7.422  11.804  -2.356
  364    H    THR  50           HN       THR  50   7.961   9.442  -1.722
  365    HA   THR  50           HA       THR  50   9.932   9.046   0.481
  366    HB   THR  50           HB       THR  50   8.098   9.431   2.120
  367    HG1  THR  50           HG1      THR  50   6.156  10.247   1.364
  368   1HG2  THR  50          HG21      THR  50   8.061  11.839   1.939
  369   2HG2  THR  50          HG22      THR  50   8.385  11.761   0.206
  370   3HG2  THR  50          HG23      THR  50   9.631  11.281   1.360
  371    H    LYS  51           HN       LYS  51   8.476   7.477  -1.849
  372    HA   LYS  51           HA       LYS  51   7.613   5.300  -2.170
  373   1HB   LYS  51          HB2       LYS  51   9.564   5.335   0.026
  374   2HB   LYS  51          HB1       LYS  51   8.473   3.952   0.102
  375   1HG   LYS  51          HG2       LYS  51  10.204   3.173  -1.280
  376   2HG   LYS  51          HG1       LYS  51   8.986   3.709  -2.440
  377   1HD   LYS  51          HD2       LYS  51  10.209   5.554  -3.084
  378   2HD   LYS  51          HD1       LYS  51  10.977   5.727  -1.506
  379   1HE   LYS  51          HE2       LYS  51  12.647   4.194  -1.999
  380   2HE   LYS  51          HE1       LYS  51  11.622   3.289  -3.131
  381   1HZ   LYS  51          HZ1       LYS  51  11.684   5.148  -4.653
  382   2HZ   LYS  51          HZ2       LYS  51  13.271   4.656  -4.298
  383   3HZ   LYS  51          HZ3       LYS  51  12.628   6.051  -3.572
  384    H    THR  52           HN       THR  52   5.342   5.748  -1.929
  385    HA   THR  52           HA       THR  52   4.156   4.592   0.523
  386    HB   THR  52           HB       THR  52   3.530   7.409  -0.412
  387    HG1  THR  52           HG1      THR  52   4.703   8.039   1.396
  388   1HG2  THR  52          HG21      THR  52   2.833   6.186   2.246
  389   2HG2  THR  52          HG22      THR  52   1.802   5.907   0.843
  390   3HG2  THR  52          HG23      THR  52   2.077   7.550   1.422
  391    H    PHE  53           HN       PHE  53   3.053   3.019  -0.678
  392    HA   PHE  53           HA       PHE  53   1.749   3.416  -3.202
  393   1HB   PHE  53          HB2       PHE  53   1.306   1.479  -0.904
  394   2HB   PHE  53          HB1       PHE  53   0.538   1.306  -2.482
  395    HD1  PHE  53           HD1      PHE  53   1.842   0.735  -4.469
  396    HD2  PHE  53           HD2      PHE  53   3.716   1.143  -0.626
  397    HE1  PHE  53           HE1      PHE  53   3.875  -0.386  -5.341
  398    HE2  PHE  53           HE2      PHE  53   5.748   0.022  -1.495
  399    HZ   PHE  53           HZ       PHE  53   5.828  -0.743  -3.855
  400    H    THR  54           HN       THR  54  -0.167   4.487  -3.641
  401    HA   THR  54           HA       THR  54  -1.931   5.140  -1.288
  402    HB   THR  54           HB       THR  54  -1.347   6.713  -3.812
  403    HG1  THR  54           HG1      THR  54   0.182   7.619  -2.701
  404   1HG2  THR  54          HG21      THR  54  -2.911   8.222  -3.168
  405   2HG2  THR  54          HG22      THR  54  -2.482   8.072  -1.464
  406   3HG2  THR  54          HG23      THR  54  -3.572   6.901  -2.205
  407    H    VAL  55           HN       VAL  55  -3.597   3.575  -1.545
  408    HA   VAL  55           HA       VAL  55  -4.921   3.405  -4.181
  409    HB   VAL  55           HB       VAL  55  -4.215   1.296  -3.013
  410   1HG1  VAL  55          HG11      VAL  55  -4.722   2.200  -0.691
  411   2HG1  VAL  55          HG12      VAL  55  -5.309   0.564  -1.013
  412   3HG1  VAL  55          HG13      VAL  55  -6.426   1.938  -1.070
  413   1HG2  VAL  55          HG21      VAL  55  -6.242   0.098  -3.455
  414   2HG2  VAL  55          HG22      VAL  55  -6.170   1.433  -4.605
  415   3HG2  VAL  55          HG23      VAL  55  -7.217   1.542  -3.189
  416    H    THR  56           HN       THR  56  -7.381   3.325  -4.052
  417    HA   THR  56           HA       THR  56  -8.669   4.678  -1.793
  418    HB   THR  56           HB       THR  56  -8.289   5.957  -4.516
  419    HG1  THR  56           HG1      THR  56  -6.947   7.298  -3.492
  420   1HG2  THR  56          HG21      THR  56 -10.329   6.859  -4.006
  421   2HG2  THR  56          HG22      THR  56  -9.366   7.904  -2.962
  422   3HG2  THR  56          HG23      THR  56 -10.175   6.488  -2.289
  423    H    GLU  57           HN       GLU  57 -10.394   3.247  -1.694
  424    HA   GLU  57           HA       GLU  57 -11.624   2.152  -4.138
  425   1HB   GLU  57          HB2       GLU  57 -11.203   1.275  -1.579
  426   2HB   GLU  57          HB1       GLU  57 -12.890   1.779  -1.487
  427   1HG   GLU  57          HG2       GLU  57 -12.071   0.178  -3.867
  428   2HG   GLU  57          HG1       GLU  57 -12.197  -0.668  -2.324
  Start of MODEL    6
    1   1H    MET   1          HT1       MET   1 -15.741   1.636   4.813
    2   2H    MET   1          HT2       MET   1 -17.057   0.949   3.985
    3   3H    MET   1          HT3       MET   1 -17.057   2.606   4.362
    4    HA   MET   1           HA       MET   1 -16.537   2.256   2.010
    5   1HB   MET   1          HB2       MET   1 -14.493   3.313   3.969
    6   2HB   MET   1          HB1       MET   1 -14.287   3.512   2.229
    7   1HG   MET   1          HG2       MET   1 -16.799   4.377   2.386
    8   2HG   MET   1          HG1       MET   1 -16.325   4.728   4.048
    9   1HE   MET   1          HE1       MET   1 -12.961   6.095   3.578
   10   2HE   MET   1          HE2       MET   1 -14.222   5.463   4.634
   11   3HE   MET   1          HE3       MET   1 -14.112   7.198   4.346
   12    H    THR   2           HN       THR   2 -14.074   2.011   0.911
   13    HA   THR   2           HA       THR   2 -13.572  -0.888   1.032
   14    HB   THR   2           HB       THR   2 -12.276   1.315  -0.603
   15    HG1  THR   2           HG1      THR   2 -14.119   1.406  -1.565
   16   1HG2  THR   2          HG21      THR   2 -10.989  -0.704  -0.727
   17   2HG2  THR   2          HG22      THR   2 -11.954  -0.627  -2.204
   18   3HG2  THR   2          HG23      THR   2 -12.443  -1.691  -0.885
   19    H    THR   3           HN       THR   3 -12.153  -1.639   2.558
   20    HA   THR   3           HA       THR   3 -10.042   0.100   3.617
   21    HB   THR   3           HB       THR   3 -10.751  -2.733   4.383
   22    HG1  THR   3           HG1      THR   3 -12.619  -1.898   4.846
   23   1HG2  THR   3          HG21      THR   3  -8.689  -1.261   5.233
   24   2HG2  THR   3          HG22      THR   3  -9.576  -2.329   6.322
   25   3HG2  THR   3          HG23      THR   3  -9.929  -0.601   6.300
   26    H    PHE   4           HN       PHE   4  -8.405   0.128   2.007
   27    HA   PHE   4           HA       PHE   4  -7.468  -2.350   0.735
   28   1HB   PHE   4          HB2       PHE   4  -6.525   0.531   0.791
   29   2HB   PHE   4          HB1       PHE   4  -5.772  -0.714  -0.202
   30    HD1  PHE   4           HD1      PHE   4  -8.542   1.585   0.149
   31    HD2  PHE   4           HD2      PHE   4  -7.167  -1.896  -1.958
   32    HE1  PHE   4           HE1      PHE   4 -10.263   1.963  -1.594
   33    HE2  PHE   4           HE2      PHE   4  -8.890  -1.520  -3.702
   34    HZ   PHE   4           HZ       PHE   4 -10.437   0.410  -3.521
   35    H    LYS   5           HN       LYS   5  -5.000  -2.792   0.868
   36    HA   LYS   5           HA       LYS   5  -3.841  -2.158   3.545
   37   1HB   LYS   5          HB2       LYS   5  -4.783  -4.773   2.475
   38   2HB   LYS   5          HB1       LYS   5  -3.261  -4.790   3.364
   39   1HG   LYS   5          HG2       LYS   5  -4.255  -4.225   5.355
   40   2HG   LYS   5          HG1       LYS   5  -5.499  -3.246   4.576
   41   1HD   LYS   5          HD2       LYS   5  -6.269  -5.613   3.630
   42   2HD   LYS   5          HD1       LYS   5  -5.445  -6.194   5.078
   43   1HE   LYS   5          HE2       LYS   5  -6.854  -4.161   6.174
   44   2HE   LYS   5          HE1       LYS   5  -7.946  -4.599   4.845
   45   1HZ   LYS   5          HZ1       LYS   5  -7.788  -6.914   5.515
   46   2HZ   LYS   5          HZ2       LYS   5  -8.359  -5.969   6.807
   47   3HZ   LYS   5          HZ3       LYS   5  -6.746  -6.503   6.789
   48    H    LEU   6           HN       LEU   6  -1.774  -1.464   3.173
   49    HA   LEU   6           HA       LEU   6  -0.394  -2.287   0.665
   50   1HB   LEU   6          HB2       LEU   6  -0.602   0.104   1.127
   51   2HB   LEU   6          HB1       LEU   6   0.104  -0.114   2.727
   52    HG   LEU   6           HG       LEU   6   2.197  -0.970   1.602
   53   1HD1  LEU   6          HD11      LEU   6   1.338  -1.657  -0.535
   54   2HD1  LEU   6          HD12      LEU   6   2.425  -0.301  -0.835
   55   3HD1  LEU   6          HD13      LEU   6   0.678  -0.053  -0.850
   56   1HD2  LEU   6          HD21      LEU   6   2.558   1.481   0.477
   57   2HD2  LEU   6          HD22      LEU   6   2.615   1.191   2.216
   58   3HD2  LEU   6          HD23      LEU   6   1.134   1.796   1.470
   59    H    ILE   7           HN       ILE   7   1.148  -3.880   0.803
   60    HA   ILE   7           HA       ILE   7   2.053  -4.884   3.395
   61    HB   ILE   7           HB       ILE   7   1.607  -6.063   1.058
   62   1HG1  ILE   7          HG12      ILE   7   3.369  -7.804   1.712
   63   2HG1  ILE   7          HG11      ILE   7   3.810  -6.704   3.018
   64   1HG2  ILE   7          HG21      ILE   7   3.591  -4.549   0.115
   65   2HG2  ILE   7          HG22      ILE   7   3.324  -6.189  -0.476
   66   3HG2  ILE   7          HG23      ILE   7   4.570  -5.879   0.732
   67   1HD1  ILE   7          HD11      ILE   7   1.812  -7.007   4.136
   68   2HD1  ILE   7          HD12      ILE   7   1.950  -8.586   3.361
   69   3HD1  ILE   7          HD13      ILE   7   0.915  -7.344   2.655
   70    H    ILE   8           HN       ILE   8   4.510  -5.030   3.826
   71    HA   ILE   8           HA       ILE   8   5.898  -2.585   2.781
   72    HB   ILE   8           HB       ILE   8   5.869  -3.704   5.602
   73   1HG1  ILE   8          HG12      ILE   8   4.689  -1.120   4.539
   74   2HG1  ILE   8          HG11      ILE   8   3.745  -2.582   4.829
   75   1HG2  ILE   8          HG21      ILE   8   7.067  -1.130   4.537
   76   2HG2  ILE   8          HG22      ILE   8   8.000  -2.578   4.915
   77   3HG2  ILE   8          HG23      ILE   8   7.147  -1.720   6.197
   78   1HD1  ILE   8          HD11      ILE   8   5.224  -0.893   6.852
   79   2HD1  ILE   8          HD12      ILE   8   4.684  -2.532   7.214
   80   3HD1  ILE   8          HD13      ILE   8   3.505  -1.283   6.811
   81    H    ASN   9           HN       ASN   9   6.808  -4.338   1.274
   82    HA   ASN   9           HA       ASN   9   8.822  -6.104   2.576
   83   1HB   ASN   9          HB2       ASN   9   7.218  -6.048   0.131
   84   2HB   ASN   9          HB1       ASN   9   8.912  -6.384  -0.218
   85   1HD2  ASN   9          HD21      ASN   9   6.363  -8.174  -0.086
   86   2HD2  ASN   9          HD22      ASN   9   6.854  -9.481   0.879
   87    H    GLY  10           HN       GLY  10   9.409  -3.436   2.891
   88   1HA   GLY  10          HA2       GLY  10  11.494  -2.852   0.832
   89   2HA   GLY  10          HA1       GLY  10  10.716  -1.627   1.839
   90    H    LYS  11           HN       LYS  11  13.585  -2.213   1.577
   91    HA   LYS  11           HA       LYS  11  14.515  -3.581   3.957
   92   1HB   LYS  11          HB2       LYS  11  15.724  -1.608   2.003
   93   2HB   LYS  11          HB1       LYS  11  16.653  -2.358   3.301
   94   1HG   LYS  11          HG2       LYS  11  16.004  -4.602   2.421
   95   2HG   LYS  11          HG1       LYS  11  15.194  -3.804   1.071
   96   1HD   LYS  11          HD2       LYS  11  17.315  -4.299   0.185
   97   2HD   LYS  11          HD1       LYS  11  17.487  -2.621   0.700
   98   1HE   LYS  11          HE2       LYS  11  18.609  -3.287   2.742
   99   2HE   LYS  11          HE1       LYS  11  18.280  -5.000   2.414
  100   1HZ   LYS  11          HZ1       LYS  11  19.831  -3.190   0.638
  101   2HZ   LYS  11          HZ2       LYS  11  19.540  -4.842   0.376
  102   3HZ   LYS  11          HZ3       LYS  11  20.513  -4.344   1.676
  103    H    THR  12           HN       THR  12  12.998  -0.535   3.522
  104    HA   THR  12           HA       THR  12  14.400   0.808   5.744
  105    HB   THR  12           HB       THR  12  11.910   1.656   4.247
  106    HG1  THR  12           HG1      THR  12  13.310   2.545   2.728
  107   1HG2  THR  12          HG21      THR  12  12.547   3.013   6.190
  108   2HG2  THR  12          HG22      THR  12  12.824   3.912   4.698
  109   3HG2  THR  12          HG23      THR  12  14.183   3.179   5.551
  110    H    LEU  13           HN       LEU  13  11.259  -0.744   5.079
  111    HA   LEU  13           HA       LEU  13  10.767  -0.838   8.026
  112   1HB   LEU  13          HB2       LEU  13   9.641   1.068   6.384
  113   2HB   LEU  13          HB1       LEU  13   8.406  -0.189   6.380
  114    HG   LEU  13           HG       LEU  13   9.073  -0.111   9.039
  115   1HD1  LEU  13          HD11      LEU  13   9.439   2.645   7.854
  116   2HD1  LEU  13          HD12      LEU  13  10.513   1.779   8.952
  117   3HD1  LEU  13          HD13      LEU  13   8.973   2.409   9.539
  118   1HD2  LEU  13          HD21      LEU  13   6.805  -0.067   8.674
  119   2HD2  LEU  13          HD22      LEU  13   6.937   1.075   7.337
  120   3HD2  LEU  13          HD23      LEU  13   7.025   1.652   9.001
  121    H    LYS  14           HN       LYS  14   8.698  -2.251   8.404
  122    HA   LYS  14           HA       LYS  14   8.175  -4.271   6.316
  123   1HB   LYS  14          HB2       LYS  14  10.357  -4.782   7.593
  124   2HB   LYS  14          HB1       LYS  14   9.320  -5.122   8.979
  125   1HG   LYS  14          HG2       LYS  14   8.212  -6.902   7.844
  126   2HG   LYS  14          HG1       LYS  14   8.881  -6.419   6.285
  127   1HD   LYS  14          HD2       LYS  14  11.189  -6.874   7.308
  128   2HD   LYS  14          HD1       LYS  14  10.327  -7.682   8.619
  129   1HE   LYS  14          HE2       LYS  14   9.530  -9.389   7.218
  130   2HE   LYS  14          HE1       LYS  14   9.730  -8.409   5.752
  131   1HZ   LYS  14          HZ1       LYS  14  12.097  -8.484   6.009
  132   2HZ   LYS  14          HZ2       LYS  14  11.514 -10.079   6.053
  133   3HZ   LYS  14          HZ3       LYS  14  11.969  -9.298   7.491
  134    H    GLY  15           HN       GLY  15   6.197  -5.341   6.687
  135   1HA   GLY  15          HA2       GLY  15   4.668  -6.119   8.632
  136   2HA   GLY  15          HA1       GLY  15   4.671  -4.412   9.078
  137    H    GLU  16           HN       GLU  16   2.836  -3.423   8.424
  138    HA   GLU  16           HA       GLU  16   1.939  -3.579   5.641
  139   1HB   GLU  16          HB2       GLU  16   1.128  -5.620   7.221
  140   2HB   GLU  16          HB1       GLU  16  -0.140  -4.450   7.587
  141   1HG   GLU  16          HG2       GLU  16  -0.581  -4.181   5.165
  142   2HG   GLU  16          HG1       GLU  16   0.663  -5.381   4.814
  143    H    THR  17           HN       THR  17  -0.053  -2.175   5.348
  144    HA   THR  17           HA       THR  17  -0.393  -0.170   7.547
  145    HB   THR  17           HB       THR  17  -0.119   0.506   4.609
  146    HG1  THR  17           HG1      THR  17   1.834  -0.304   5.101
  147   1HG2  THR  17          HG21      THR  17   0.584   2.319   6.877
  148   2HG2  THR  17          HG22      THR  17  -1.124   2.031   6.544
  149   3HG2  THR  17          HG23      THR  17  -0.084   2.711   5.292
  150    H    THR  18           HN       THR  18  -2.480   0.781   7.611
  151    HA   THR  18           HA       THR  18  -4.482  -0.181   5.605
  152    HB   THR  18           HB       THR  18  -5.978  -0.670   7.556
  153    HG1  THR  18           HG1      THR  18  -5.077   0.616   9.112
  154   1HG2  THR  18          HG21      THR  18  -4.156  -2.279   6.457
  155   2HG2  THR  18          HG22      THR  18  -5.123  -2.793   7.840
  156   3HG2  THR  18          HG23      THR  18  -3.476  -2.211   8.083
  157    H    THR  19           HN       THR  19  -6.179   1.299   5.240
  158    HA   THR  19           HA       THR  19  -6.571   3.655   6.935
  159    HB   THR  19           HB       THR  19  -4.509   4.237   5.728
  160    HG1  THR  19           HG1      THR  19  -6.715   5.572   4.559
  161   1HG2  THR  19          HG21      THR  19  -4.148   3.701   3.567
  162   2HG2  THR  19          HG22      THR  19  -5.676   4.422   3.063
  163   3HG2  THR  19          HG23      THR  19  -5.636   2.757   3.643
  164    H    GLU  20           HN       GLU  20  -8.664   4.349   6.655
  165    HA   GLU  20           HA       GLU  20 -10.510   2.957   4.966
  166   1HB   GLU  20          HB2       GLU  20 -10.564   5.576   6.483
  167   2HB   GLU  20          HB1       GLU  20 -11.985   4.944   5.651
  168   1HG   GLU  20          HG2       GLU  20 -10.495   3.112   7.489
  169   2HG   GLU  20          HG1       GLU  20 -11.524   4.354   8.204
  170    H    ALA  21           HN       ALA  21 -10.421   3.089   2.744
  171    HA   ALA  21           HA       ALA  21 -10.158   5.816   1.520
  172   1HB   ALA  21          HB1       ALA  21  -9.179   3.473  -0.002
  173   2HB   ALA  21          HB2       ALA  21  -8.272   3.834   1.466
  174   3HB   ALA  21          HB3       ALA  21  -8.442   5.061   0.211
  175    H    VAL  22           HN       VAL  22 -11.682   6.253  -0.059
  176    HA   VAL  22           HA       VAL  22 -14.036   4.672  -0.331
  177    HB   VAL  22           HB       VAL  22 -13.872   7.093  -0.767
  178   1HG1  VAL  22          HG11      VAL  22 -12.529   8.039  -2.382
  179   2HG1  VAL  22          HG12      VAL  22 -12.609   6.624  -3.429
  180   3HG1  VAL  22          HG13      VAL  22 -11.554   6.616  -2.016
  181   1HG2  VAL  22          HG21      VAL  22 -14.748   5.345  -3.075
  182   2HG2  VAL  22          HG22      VAL  22 -15.017   7.088  -3.063
  183   3HG2  VAL  22          HG23      VAL  22 -15.752   6.074  -1.821
  184    H    ASP  23           HN       ASP  23 -11.029   4.705  -2.199
  185    HA   ASP  23           HA       ASP  23 -11.538   2.075  -3.313
  186   1HB   ASP  23          HB2       ASP  23 -11.777   2.849  -5.672
  187   2HB   ASP  23          HB1       ASP  23 -13.109   3.397  -4.658
  188    H    ALA  24           HN       ALA  24  -9.806   1.641  -5.114
  189    HA   ALA  24           HA       ALA  24  -7.213   2.022  -4.119
  190   1HB   ALA  24          HB1       ALA  24  -8.227   1.554  -6.936
  191   2HB   ALA  24          HB2       ALA  24  -7.804   0.321  -5.749
  192   3HB   ALA  24          HB3       ALA  24  -6.546   1.339  -6.449
  193    H    ALA  25           HN       ALA  25  -9.149   4.181  -6.081
  194    HA   ALA  25           HA       ALA  25  -7.080   5.816  -7.198
  195   1HB   ALA  25          HB1       ALA  25  -9.037   7.520  -7.164
  196   2HB   ALA  25          HB2       ALA  25  -9.976   6.216  -6.440
  197   3HB   ALA  25          HB3       ALA  25  -9.287   6.015  -8.050
  198    H    THR  26           HN       THR  26  -8.791   5.953  -4.077
  199    HA   THR  26           HA       THR  26  -7.230   8.336  -3.244
  200    HB   THR  26           HB       THR  26  -9.316   6.699  -1.770
  201    HG1  THR  26           HG1      THR  26  -9.569   8.948  -3.477
  202   1HG2  THR  26          HG21      THR  26  -9.664   8.998  -0.682
  203   2HG2  THR  26          HG22      THR  26  -8.117   9.444  -1.402
  204   3HG2  THR  26          HG23      THR  26  -8.199   8.124  -0.236
  205    H    ALA  27           HN       ALA  27  -7.387   4.868  -2.695
  206    HA   ALA  27           HA       ALA  27  -5.865   4.739  -0.257
  207   1HB   ALA  27          HB1       ALA  27  -6.862   2.968  -2.389
  208   2HB   ALA  27          HB2       ALA  27  -6.817   2.707  -0.645
  209   3HB   ALA  27          HB3       ALA  27  -5.384   2.390  -1.621
  210    H    GLU  28           HN       GLU  28  -4.858   4.227  -3.660
  211    HA   GLU  28           HA       GLU  28  -2.074   3.857  -3.223
  212   1HB   GLU  28          HB2       GLU  28  -3.558   3.608  -5.324
  213   2HB   GLU  28          HB1       GLU  28  -3.292   5.337  -5.564
  214   1HG   GLU  28          HG2       GLU  28  -0.756   4.678  -5.218
  215   2HG   GLU  28          HG1       GLU  28  -1.323   3.080  -5.705
  216    H    LYS  29           HN       LYS  29  -3.943   6.875  -3.569
  217    HA   LYS  29           HA       LYS  29  -1.751   8.702  -3.730
  218   1HB   LYS  29          HB2       LYS  29  -4.573   8.857  -2.649
  219   2HB   LYS  29          HB1       LYS  29  -3.516  10.268  -2.714
  220   1HG   LYS  29          HG2       LYS  29  -3.159   9.658  -5.195
  221   2HG   LYS  29          HG1       LYS  29  -4.569   8.616  -5.007
  222   1HD   LYS  29          HD2       LYS  29  -5.915  10.533  -4.270
  223   2HD   LYS  29          HD1       LYS  29  -4.506  11.586  -4.398
  224   1HE   LYS  29          HE2       LYS  29  -4.626  11.685  -6.691
  225   2HE   LYS  29          HE1       LYS  29  -5.183  10.005  -6.831
  226   1HZ   LYS  29          HZ1       LYS  29  -6.997  11.508  -7.320
  227   2HZ   LYS  29          HZ2       LYS  29  -6.781  12.306  -5.835
  228   3HZ   LYS  29          HZ3       LYS  29  -7.311  10.692  -5.867
  229    H    VAL  30           HN       VAL  30  -3.293   7.107  -0.982
  230    HA   VAL  30           HA       VAL  30  -1.717   8.627   1.001
  231    HB   VAL  30           HB       VAL  30  -3.632   6.272   1.199
  232   1HG1  VAL  30          HG11      VAL  30  -3.771   7.397   3.614
  233   2HG1  VAL  30          HG12      VAL  30  -2.123   7.882   3.218
  234   3HG1  VAL  30          HG13      VAL  30  -2.557   6.173   3.245
  235   1HG2  VAL  30          HG21      VAL  30  -5.281   7.953   1.868
  236   2HG2  VAL  30          HG22      VAL  30  -4.619   8.377   0.289
  237   3HG2  VAL  30          HG23      VAL  30  -4.070   9.228   1.732
  238    H    PHE  31           HN       PHE  31  -1.933   5.280  -0.239
  239    HA   PHE  31           HA       PHE  31   0.188   4.199   1.383
  240   1HB   PHE  31          HB2       PHE  31  -1.003   3.419  -1.298
  241   2HB   PHE  31          HB1       PHE  31   0.120   2.403  -0.397
  242    HD1  PHE  31           HD1      PHE  31  -0.659   2.596   2.356
  243    HD2  PHE  31           HD2      PHE  31  -3.156   2.555  -1.139
  244    HE1  PHE  31           HE1      PHE  31  -2.543   1.722   3.711
  245    HE2  PHE  31           HE2      PHE  31  -5.037   1.685   0.216
  246    HZ   PHE  31           HZ       PHE  31  -4.733   1.265   2.642
  247    H    LYS  32           HN       LYS  32   0.108   5.679  -1.852
  248    HA   LYS  32           HA       LYS  32   2.825   5.166  -2.581
  249   1HB   LYS  32          HB2       LYS  32   0.975   5.942  -4.077
  250   2HB   LYS  32          HB1       LYS  32   1.028   7.515  -3.283
  251   1HG   LYS  32          HG2       LYS  32   2.537   8.080  -4.878
  252   2HG   LYS  32          HG1       LYS  32   3.680   7.106  -3.953
  253   1HD   LYS  32          HD2       LYS  32   3.442   5.251  -5.364
  254   2HD   LYS  32          HD1       LYS  32   1.876   5.792  -5.970
  255   1HE   LYS  32          HE2       LYS  32   4.284   7.513  -6.488
  256   2HE   LYS  32          HE1       LYS  32   4.021   6.073  -7.490
  257   1HZ   LYS  32          HZ1       LYS  32   2.864   8.063  -8.353
  258   2HZ   LYS  32          HZ2       LYS  32   1.950   8.128  -6.922
  259   3HZ   LYS  32          HZ3       LYS  32   1.800   6.799  -7.970
  260    H    GLN  33           HN       GLN  33   1.319   8.067  -1.107
  261    HA   GLN  33           HA       GLN  33   3.725   9.550  -0.699
  262   1HB   GLN  33          HB2       GLN  33   1.332  10.350  -0.581
  263   2HB   GLN  33          HB1       GLN  33   1.203   9.543   0.982
  264   1HG   GLN  33          HG2       GLN  33   1.858  11.596   1.762
  265   2HG   GLN  33          HG1       GLN  33   3.465  10.963   1.400
  266   1HE2  GLN  33          HE21      GLN  33   4.480  11.663  -0.656
  267   2HE2  GLN  33          HE22      GLN  33   3.951  13.074  -1.436
  268    H    TYR  34           HN       TYR  34   2.177   7.023   1.128
  269    HA   TYR  34           HA       TYR  34   3.705   7.274   3.571
  270   1HB   TYR  34          HB2       TYR  34   1.650   6.091   3.662
  271   2HB   TYR  34          HB1       TYR  34   2.010   5.171   2.205
  272    HD1  TYR  34           HD1      TYR  34   3.321   3.152   2.291
  273    HD2  TYR  34           HD2      TYR  34   2.736   5.526   5.816
  274    HE1  TYR  34           HE1      TYR  34   4.215   1.302   3.674
  275    HE2  TYR  34           HE2      TYR  34   3.632   3.676   7.211
  276    HH   TYR  34           HH       TYR  34   5.384   1.171   6.031
  277    H    ALA  35           HN       ALA  35   4.022   5.215   0.669
  278    HA   ALA  35           HA       ALA  35   6.486   3.941   1.528
  279   1HB   ALA  35          HB1       ALA  35   4.784   4.136  -0.930
  280   2HB   ALA  35          HB2       ALA  35   5.297   2.700  -0.037
  281   3HB   ALA  35          HB3       ALA  35   6.429   3.523  -1.112
  282    H    ASN  36           HN       ASN  36   5.693   6.704  -0.567
  283    HA   ASN  36           HA       ASN  36   8.257   7.234  -1.631
  284   1HB   ASN  36          HB2       ASN  36   5.808   8.851  -0.976
  285   2HB   ASN  36          HB1       ASN  36   7.243   9.653  -1.614
  286   1HD2  ASN  36          HD21      ASN  36   6.174  10.120  -3.673
  287   2HD2  ASN  36          HD22      ASN  36   5.864   8.889  -4.801
  288    H    ASP  37           HN       ASP  37   6.724   8.566   1.315
  289    HA   ASP  37           HA       ASP  37   8.928  10.166   2.181
  290   1HB   ASP  37          HB2       ASP  37   6.555   8.837   3.483
  291   2HB   ASP  37          HB1       ASP  37   7.723   9.725   4.463
  292    H    ASN  38           HN       ASN  38   7.926   6.923   3.347
  293    HA   ASN  38           HA       ASN  38  10.216   6.433   4.981
  294   1HB   ASN  38          HB2       ASN  38   8.203   4.703   3.533
  295   2HB   ASN  38          HB1       ASN  38   9.460   3.997   4.549
  296   1HD2  ASN  38          HD21      ASN  38   6.290   4.871   4.704
  297   2HD2  ASN  38          HD22      ASN  38   6.180   5.305   6.342
  298    H    GLY  39           HN       GLY  39   9.530   5.425   1.615
  299   1HA   GLY  39          HA2       GLY  39  11.469   5.688   0.012
  300   2HA   GLY  39          HA1       GLY  39  12.464   4.949   1.267
  301    H    ILE  40           HN       ILE  40   9.241   4.091  -0.041
  302    HA   ILE  40           HA       ILE  40  10.333   1.349  -0.579
  303    HB   ILE  40           HB       ILE  40   7.570   2.291   0.260
  304   1HG1  ILE  40          HG12      ILE  40   9.643   0.598   1.691
  305   2HG1  ILE  40          HG11      ILE  40   9.345   2.304   2.016
  306   1HG2  ILE  40          HG21      ILE  40   8.633  -0.402  -0.592
  307   2HG2  ILE  40          HG22      ILE  40   7.128   0.387  -1.076
  308   3HG2  ILE  40          HG23      ILE  40   7.292  -0.291   0.546
  309   1HD1  ILE  40          HD11      ILE  40   8.138   0.356   3.412
  310   2HD1  ILE  40          HD12      ILE  40   6.985   0.484   2.083
  311   3HD1  ILE  40          HD13      ILE  40   7.344   1.895   3.076
  312    H    ASP  41           HN       ASP  41  10.909   2.368  -2.744
  313    HA   ASP  41           HA       ASP  41   8.577   2.769  -4.561
  314   1HB   ASP  41          HB2       ASP  41  11.577   3.172  -4.842
  315   2HB   ASP  41          HB1       ASP  41  10.403   3.546  -6.105
  316    H    GLY  42           HN       GLY  42   9.068   0.145  -3.525
  317   1HA   GLY  42          HA2       GLY  42  10.644  -1.504  -5.240
  318   2HA   GLY  42          HA1       GLY  42   9.325  -2.059  -4.208
  319    H    GLU  43           HN       GLU  43   8.206  -3.353  -5.575
  320    HA   GLU  43           HA       GLU  43   7.281  -2.209  -8.147
  321   1HB   GLU  43          HB2       GLU  43   7.822  -5.020  -7.174
  322   2HB   GLU  43          HB1       GLU  43   6.927  -4.707  -8.661
  323   1HG   GLU  43          HG2       GLU  43   8.814  -3.502  -9.607
  324   2HG   GLU  43          HG1       GLU  43   9.704  -3.634  -8.089
  325    H    TRP  44           HN       TRP  44   5.238  -1.434  -7.856
  326    HA   TRP  44           HA       TRP  44   3.544  -2.420  -5.733
  327   1HB   TRP  44          HB2       TRP  44   3.405  -0.309  -7.854
  328   2HB   TRP  44          HB1       TRP  44   1.986  -0.687  -6.868
  329    HD1  TRP  44           HD1      TRP  44   5.718   0.187  -6.372
  330    HE1  TRP  44           HE1      TRP  44   5.939   1.497  -4.158
  331    HE3  TRP  44           HE3      TRP  44   0.873   0.041  -4.771
  332    HZ2  TRP  44           HZ2      TRP  44   4.279   2.341  -1.994
  333    HZ3  TRP  44           HZ3      TRP  44   0.220   1.106  -2.632
  334    HH2  TRP  44           HH2      TRP  44   1.918   2.263  -1.243
  335    H    THR  45           HN       THR  45   1.706  -3.566  -5.871
  336    HA   THR  45           HA       THR  45   0.544  -4.355  -8.463
  337    HB   THR  45           HB       THR  45   0.716  -6.803  -7.561
  338    HG1  THR  45           HG1      THR  45   2.439  -7.141  -6.204
  339   1HG2  THR  45          HG21      THR  45   2.035  -5.506  -9.474
  340   2HG2  THR  45          HG22      THR  45   2.491  -7.142  -8.999
  341   3HG2  THR  45          HG23      THR  45   3.393  -5.759  -8.378
  342    H    TYR  46           HN       TYR  46  -1.636  -4.441  -8.164
  343    HA   TYR  46           HA       TYR  46  -2.672  -4.276  -5.378
  344   1HB   TYR  46          HB2       TYR  46  -3.280  -2.468  -6.827
  345   2HB   TYR  46          HB1       TYR  46  -3.658  -3.557  -8.154
  346    HD1  TYR  46           HD1      TYR  46  -5.849  -4.316  -8.489
  347    HD2  TYR  46           HD2      TYR  46  -4.776  -2.596  -4.702
  348    HE1  TYR  46           HE1      TYR  46  -8.230  -4.330  -7.807
  349    HE2  TYR  46           HE2      TYR  46  -7.152  -2.609  -4.020
  350    HH   TYR  46           HH       TYR  46  -9.566  -4.297  -5.806
  351    H    ASP  47           HN       ASP  47  -3.117  -6.314  -4.599
  352    HA   ASP  47           HA       ASP  47  -3.961  -8.528  -6.312
  353   1HB   ASP  47          HB2       ASP  47  -2.661  -8.287  -3.946
  354   2HB   ASP  47          HB1       ASP  47  -4.292  -8.609  -3.356
  355    H    ASP  48           HN       ASP  48  -5.992  -8.107  -7.217
  356    HA   ASP  48           HA       ASP  48  -8.194  -6.834  -5.912
  357   1HB   ASP  48          HB2       ASP  48  -9.475  -7.854  -7.789
  358   2HB   ASP  48          HB1       ASP  48  -7.963  -7.135  -8.342
  359    H    ALA  49           HN       ALA  49  -6.984 -10.117  -5.750
  360    HA   ALA  49           HA       ALA  49  -9.225 -11.596  -4.962
  361   1HB   ALA  49          HB1       ALA  49  -6.292 -11.663  -4.556
  362   2HB   ALA  49          HB2       ALA  49  -7.370 -12.919  -5.165
  363   3HB   ALA  49          HB3       ALA  49  -7.234 -12.640  -3.429
  364    H    THR  50           HN       THR  50  -7.277  -9.347  -3.031
  365    HA   THR  50           HA       THR  50  -9.384  -9.391  -0.927
  366    HB   THR  50           HB       THR  50  -7.607  -9.709   0.794
  367    HG1  THR  50           HG1      THR  50  -5.958 -10.282  -1.436
  368   1HG2  THR  50          HG21      THR  50  -7.503 -11.902  -1.287
  369   2HG2  THR  50          HG22      THR  50  -8.900 -11.630  -0.245
  370   3HG2  THR  50          HG23      THR  50  -7.344 -12.070   0.461
  371    H    LYS  51           HN       LYS  51  -7.971  -7.475  -3.017
  372    HA   LYS  51           HA       LYS  51  -7.338  -5.203  -3.102
  373   1HB   LYS  51          HB2       LYS  51  -9.543  -5.648  -1.301
  374   2HB   LYS  51          HB1       LYS  51  -8.574  -4.311  -0.687
  375   1HG   LYS  51          HG2       LYS  51  -9.775  -3.062  -2.162
  376   2HG   LYS  51          HG1       LYS  51  -8.645  -3.711  -3.351
  377   1HD   LYS  51          HD2       LYS  51 -10.881  -4.086  -4.194
  378   2HD   LYS  51          HD1       LYS  51 -10.238  -5.647  -3.680
  379   1HE   LYS  51          HE2       LYS  51 -11.547  -5.655  -1.690
  380   2HE   LYS  51          HE1       LYS  51 -11.914  -3.924  -1.834
  381   1HZ   LYS  51          HZ1       LYS  51 -13.060  -4.377  -3.916
  382   2HZ   LYS  51          HZ2       LYS  51 -13.759  -5.267  -2.649
  383   3HZ   LYS  51          HZ3       LYS  51 -12.731  -6.033  -3.763
  384    H    THR  52           HN       THR  52  -5.047  -5.597  -2.650
  385    HA   THR  52           HA       THR  52  -4.182  -4.361  -0.105
  386    HB   THR  52           HB       THR  52  -3.375  -7.166  -0.939
  387    HG1  THR  52           HG1      THR  52  -5.149  -7.651   0.050
  388   1HG2  THR  52          HG21      THR  52  -2.108  -7.242   1.084
  389   2HG2  THR  52          HG22      THR  52  -2.809  -5.729   1.659
  390   3HG2  THR  52          HG23      THR  52  -1.682  -5.720   0.302
  391    H    PHE  53           HN       PHE  53  -2.897  -2.784  -1.032
  392    HA   PHE  53           HA       PHE  53  -1.429  -3.004  -3.484
  393   1HB   PHE  53          HB2       PHE  53  -1.148  -1.287  -0.997
  394   2HB   PHE  53          HB1       PHE  53  -0.194  -1.014  -2.455
  395    HD1  PHE  53           HD1      PHE  53  -1.221  -0.185  -4.502
  396    HD2  PHE  53           HD2      PHE  53  -3.578  -0.919  -0.987
  397    HE1  PHE  53           HE1      PHE  53  -3.104   1.084  -5.499
  398    HE2  PHE  53           HE2      PHE  53  -5.461   0.350  -1.981
  399    HZ   PHE  53           HZ       PHE  53  -5.222   1.354  -4.240
  400    H    THR  54           HN       THR  54   0.435  -4.190  -3.872
  401    HA   THR  54           HA       THR  54   2.012  -5.052  -1.458
  402    HB   THR  54           HB       THR  54   1.616  -6.419  -4.131
  403    HG1  THR  54           HG1      THR  54   0.221  -7.743  -2.938
  404   1HG2  THR  54          HG21      THR  54   3.709  -6.854  -2.587
  405   2HG2  THR  54          HG22      THR  54   2.835  -8.213  -3.292
  406   3HG2  THR  54          HG23      THR  54   2.546  -7.754  -1.614
  407    H    VAL  55           HN       VAL  55   3.681  -3.432  -1.512
  408    HA   VAL  55           HA       VAL  55   5.278  -3.238  -3.991
  409    HB   VAL  55           HB       VAL  55   4.517  -1.135  -2.843
  410   1HG1  VAL  55          HG11      VAL  55   5.385  -0.492  -0.722
  411   2HG1  VAL  55          HG12      VAL  55   6.499  -1.868  -0.704
  412   3HG1  VAL  55          HG13      VAL  55   4.766  -2.134  -0.511
  413   1HG2  VAL  55          HG21      VAL  55   6.626  -1.300  -4.224
  414   2HG2  VAL  55          HG22      VAL  55   7.511  -1.472  -2.708
  415   3HG2  VAL  55          HG23      VAL  55   6.612   0.007  -3.040
  416    H    THR  56           HN       THR  56   7.717  -3.238  -3.602
  417    HA   THR  56           HA       THR  56   8.715  -4.692  -1.255
  418    HB   THR  56           HB       THR  56   8.589  -5.880  -4.042
  419    HG1  THR  56           HG1      THR  56   6.744  -6.467  -3.220
  420   1HG2  THR  56          HG21      THR  56  10.507  -6.920  -3.388
  421   2HG2  THR  56          HG22      THR  56   9.433  -7.889  -2.379
  422   3HG2  THR  56          HG23      THR  56  10.268  -6.495  -1.693
  423    H    GLU  57           HN       GLU  57  10.468  -3.324  -0.927
  424    HA   GLU  57           HA       GLU  57  12.018  -2.304  -3.240
  425   1HB   GLU  57          HB2       GLU  57  11.239  -1.331  -0.747
  426   2HB   GLU  57          HB1       GLU  57  12.952  -1.686  -0.525
  427   1HG   GLU  57          HG2       GLU  57  11.818  -0.040  -2.807
  428   2HG   GLU  57          HG1       GLU  57  12.552   0.635  -1.353
  Start of MODEL    7
    1   1H    MET   1          HT1       MET   1  17.464  -1.906   5.368
    2   2H    MET   1          HT2       MET   1  16.551  -0.473   5.345
    3   3H    MET   1          HT3       MET   1  17.484  -0.911   3.994
    4    HA   MET   1           HA       MET   1  16.072  -2.805   3.556
    5   1HB   MET   1          HB2       MET   1  14.996  -1.891   6.223
    6   2HB   MET   1          HB1       MET   1  14.021  -2.903   5.156
    7   1HG   MET   1          HG2       MET   1  16.066  -4.460   5.045
    8   2HG   MET   1          HG1       MET   1  16.682  -3.554   6.428
    9   1HE   MET   1          HE1       MET   1  14.553  -7.190   6.625
   10   2HE   MET   1          HE2       MET   1  15.567  -6.416   5.410
   11   3HE   MET   1          HE3       MET   1  13.815  -6.258   5.315
   12    H    THR   2           HN       THR   2  13.776  -2.578   2.682
   13    HA   THR   2           HA       THR   2  13.287   0.263   1.888
   14    HB   THR   2           HB       THR   2  12.332  -2.361   0.698
   15    HG1  THR   2           HG1      THR   2  14.450  -2.358   0.335
   16   1HG2  THR   2          HG21      THR   2  10.953  -0.365   0.154
   17   2HG2  THR   2          HG22      THR   2  11.792  -1.009  -1.260
   18   3HG2  THR   2          HG23      THR   2  12.402   0.438  -0.457
   19    H    THR   3           HN       THR   3  11.720   1.186   3.168
   20    HA   THR   3           HA       THR   3   9.504  -0.482   4.179
   21    HB   THR   3           HB       THR   3  10.453   2.290   4.939
   22    HG1  THR   3           HG1      THR   3  12.005   0.802   5.469
   23   1HG2  THR   3          HG21      THR   3   8.261   0.501   5.869
   24   2HG2  THR   3          HG22      THR   3   8.330   2.262   5.818
   25   3HG2  THR   3          HG23      THR   3   9.156   1.384   7.105
   26    H    PHE   4           HN       PHE   4   8.010  -0.483   2.449
   27    HA   PHE   4           HA       PHE   4   7.352   1.952   0.964
   28   1HB   PHE   4          HB2       PHE   4   6.182  -0.836   1.166
   29   2HB   PHE   4          HB1       PHE   4   5.559   0.384   0.060
   30    HD1  PHE   4           HD1      PHE   4   8.176  -2.036   0.710
   31    HD2  PHE   4           HD2      PHE   4   7.077   1.335  -1.714
   32    HE1  PHE   4           HE1      PHE   4   9.942  -2.636  -0.921
   33    HE2  PHE   4           HE2      PHE   4   8.846   0.736  -3.347
   34    HZ   PHE   4           HZ       PHE   4  10.273  -1.249  -2.951
   35    H    LYS   5           HN       LYS   5   4.913   2.578   0.874
   36    HA   LYS   5           HA       LYS   5   3.574   2.323   3.534
   37   1HB   LYS   5          HB2       LYS   5   4.710   4.732   2.190
   38   2HB   LYS   5          HB1       LYS   5   3.171   4.935   3.028
   39   1HG   LYS   5          HG2       LYS   5   4.083   4.297   5.110
   40   2HG   LYS   5          HG1       LYS   5   5.494   3.550   4.361
   41   1HD   LYS   5          HD2       LYS   5   6.366   5.715   3.704
   42   2HD   LYS   5          HD1       LYS   5   4.897   6.519   4.257
   43   1HE   LYS   5          HE2       LYS   5   6.434   4.830   6.212
   44   2HE   LYS   5          HE1       LYS   5   7.012   6.466   5.839
   45   1HZ   LYS   5          HZ1       LYS   5   4.206   5.814   6.564
   46   2HZ   LYS   5          HZ2       LYS   5   4.872   7.363   6.351
   47   3HZ   LYS   5          HZ3       LYS   5   5.354   6.401   7.666
   48    H    LEU   6           HN       LEU   6   1.498   1.671   3.111
   49    HA   LEU   6           HA       LEU   6   0.297   2.306   0.458
   50   1HB   LEU   6          HB2       LEU   6   0.389  -0.039   1.136
   51   2HB   LEU   6          HB1       LEU   6  -0.402   0.341   2.665
   52    HG   LEU   6           HG       LEU   6  -2.394   1.155   1.353
   53   1HD1  LEU   6          HD11      LEU   6  -0.763   0.016  -0.929
   54   2HD1  LEU   6          HD12      LEU   6  -1.386   1.659  -0.770
   55   3HD1  LEU   6          HD13      LEU   6  -2.498   0.317  -1.037
   56   1HD2  LEU   6          HD21      LEU   6  -1.408  -1.677   1.300
   57   2HD2  LEU   6          HD22      LEU   6  -2.907  -1.286   0.458
   58   3HD2  LEU   6          HD23      LEU   6  -2.765  -0.983   2.191
   59    H    ILE   7           HN       ILE   7  -1.040   4.077   0.419
   60    HA   ILE   7           HA       ILE   7  -2.083   5.340   2.800
   61    HB   ILE   7           HB       ILE   7  -1.575   6.184   0.332
   62   1HG1  ILE   7          HG12      ILE   7  -3.307   8.026   0.705
   63   2HG1  ILE   7          HG11      ILE   7  -3.812   7.118   2.129
   64   1HG2  ILE   7          HG21      ILE   7  -4.535   5.979  -0.018
   65   2HG2  ILE   7          HG22      ILE   7  -3.552   4.578  -0.441
   66   3HG2  ILE   7          HG23      ILE   7  -3.268   6.127  -1.235
   67   1HD1  ILE   7          HD11      ILE   7  -0.893   7.625   1.797
   68   2HD1  ILE   7          HD12      ILE   7  -1.860   7.550   3.269
   69   3HD1  ILE   7          HD13      ILE   7  -1.905   8.993   2.259
   70    H    ILE   8           HN       ILE   8  -4.580   5.575   3.103
   71    HA   ILE   8           HA       ILE   8  -5.942   3.003   2.374
   72    HB   ILE   8           HB       ILE   8  -5.974   4.476   5.032
   73   1HG1  ILE   8          HG12      ILE   8  -4.766   1.781   4.339
   74   2HG1  ILE   8          HG11      ILE   8  -3.829   3.271   4.452
   75   1HG2  ILE   8          HG21      ILE   8  -8.074   3.205   4.358
   76   2HG2  ILE   8          HG22      ILE   8  -7.312   2.662   5.853
   77   3HG2  ILE   8          HG23      ILE   8  -7.089   1.742   4.365
   78   1HD1  ILE   8          HD11      ILE   8  -5.615   2.626   6.748
   79   2HD1  ILE   8          HD12      ILE   8  -4.021   3.382   6.740
   80   3HD1  ILE   8          HD13      ILE   8  -4.169   1.634   6.557
   81    H    ASN   9           HN       ASN   9  -6.816   4.558   0.639
   82    HA   ASN   9           HA       ASN   9  -8.872   6.449   1.672
   83   1HB   ASN   9          HB2       ASN   9  -7.221   6.099  -0.727
   84   2HB   ASN   9          HB1       ASN   9  -8.904   6.444  -1.120
   85   1HD2  ASN   9          HD21      ASN   9  -6.512   8.252  -1.390
   86   2HD2  ASN   9          HD22      ASN   9  -6.880   9.627  -0.465
   87    H    GLY  10           HN       GLY  10  -9.466   3.846   2.291
   88   1HA   GLY  10          HA2       GLY  10 -11.474   2.998   0.245
   89   2HA   GLY  10          HA1       GLY  10 -10.720   1.905   1.408
   90    H    LYS  11           HN       LYS  11 -13.550   2.250   1.070
   91    HA   LYS  11           HA       LYS  11 -14.613   3.946   3.183
   92   1HB   LYS  11          HB2       LYS  11 -15.748   1.605   1.617
   93   2HB   LYS  11          HB1       LYS  11 -16.701   2.698   2.622
   94   1HG   LYS  11          HG2       LYS  11 -14.961   3.658   0.337
   95   2HG   LYS  11          HG1       LYS  11 -16.668   3.264   0.144
   96   1HD   LYS  11          HD2       LYS  11 -17.074   5.409   0.740
   97   2HD   LYS  11          HD1       LYS  11 -16.674   4.903   2.380
   98   1HE   LYS  11          HE2       LYS  11 -14.684   6.024   2.358
   99   2HE   LYS  11          HE1       LYS  11 -14.320   5.521   0.695
  100   1HZ   LYS  11          HZ1       LYS  11 -14.778   7.838   0.628
  101   2HZ   LYS  11          HZ2       LYS  11 -16.184   7.662   1.565
  102   3HZ   LYS  11          HZ3       LYS  11 -16.136   7.058  -0.022
  103    H    THR  12           HN       THR  12 -12.910   0.996   3.286
  104    HA   THR  12           HA       THR  12 -14.357  -0.028   5.671
  105    HB   THR  12           HB       THR  12 -11.931  -1.164   4.261
  106    HG1  THR  12           HG1      THR  12 -13.508  -2.323   3.024
  107   1HG2  THR  12          HG21      THR  12 -13.392  -3.276   4.998
  108   2HG2  THR  12          HG22      THR  12 -13.986  -2.128   6.198
  109   3HG2  THR  12          HG23      THR  12 -12.264  -2.500   6.108
  110    H    LEU  13           HN       LEU  13 -11.243   1.381   4.702
  111    HA   LEU  13           HA       LEU  13 -10.586   1.725   7.608
  112   1HB   LEU  13          HB2       LEU  13  -8.920   0.566   5.365
  113   2HB   LEU  13          HB1       LEU  13  -8.188   1.175   6.849
  114    HG   LEU  13           HG       LEU  13 -10.440  -0.834   6.913
  115   1HD1  LEU  13          HD11      LEU  13  -8.706  -2.586   7.137
  116   2HD1  LEU  13          HD12      LEU  13  -7.457  -1.382   6.817
  117   3HD1  LEU  13          HD13      LEU  13  -8.623  -1.800   5.561
  118   1HD2  LEU  13          HD21      LEU  13  -9.441   0.638   8.905
  119   2HD2  LEU  13          HD22      LEU  13  -8.217  -0.631   8.903
  120   3HD2  LEU  13          HD23      LEU  13  -9.912  -1.043   9.157
  121    H    LYS  14           HN       LYS  14  -8.724   3.361   7.830
  122    HA   LYS  14           HA       LYS  14  -8.415   5.283   5.612
  123   1HB   LYS  14          HB2       LYS  14 -10.623   5.559   7.101
  124   2HB   LYS  14          HB1       LYS  14  -9.494   6.396   8.167
  125   1HG   LYS  14          HG2       LYS  14  -8.752   7.578   5.913
  126   2HG   LYS  14          HG1       LYS  14 -10.376   7.120   5.398
  127   1HD   LYS  14          HD2       LYS  14 -10.965   8.126   7.828
  128   2HD   LYS  14          HD1       LYS  14  -9.529   9.083   7.466
  129   1HE   LYS  14          HE2       LYS  14 -11.145  10.412   6.445
  130   2HE   LYS  14          HE1       LYS  14 -10.774   9.325   5.092
  131   1HZ   LYS  14          HZ1       LYS  14 -12.503   7.805   5.983
  132   2HZ   LYS  14          HZ2       LYS  14 -13.125   9.288   5.434
  133   3HZ   LYS  14          HZ3       LYS  14 -12.941   9.005   7.099
  134    H    GLY  15           HN       GLY  15  -6.415   6.261   5.792
  135   1HA   GLY  15          HA2       GLY  15  -4.938   7.461   7.547
  136   2HA   GLY  15          HA1       GLY  15  -4.949   5.898   8.365
  137    H    GLU  16           HN       GLU  16  -2.747   5.443   8.129
  138    HA   GLU  16           HA       GLU  16  -1.852   4.867   5.329
  139   1HB   GLU  16          HB2       GLU  16  -0.562   6.487   7.520
  140   2HB   GLU  16          HB1       GLU  16   0.432   5.714   6.284
  141   1HG   GLU  16          HG2       GLU  16  -0.435   7.025   4.570
  142   2HG   GLU  16          HG1       GLU  16  -1.945   7.331   5.430
  143    H    THR  17           HN       THR  17  -0.306   3.125   5.201
  144    HA   THR  17           HA       THR  17   0.054   1.531   7.718
  145    HB   THR  17           HB       THR  17  -0.464   0.377   4.971
  146    HG1  THR  17           HG1      THR  17  -2.384   1.182   5.204
  147   1HG2  THR  17          HG21      THR  17   0.453  -1.176   6.594
  148   2HG2  THR  17          HG22      THR  17  -1.256  -1.549   6.365
  149   3HG2  THR  17          HG23      THR  17  -0.730  -0.670   7.801
  150    H    THR  18           HN       THR  18   2.054   0.410   7.844
  151    HA   THR  18           HA       THR  18   4.010   0.936   5.629
  152    HB   THR  18           HB       THR  18   5.668   1.341   7.439
  153    HG1  THR  18           HG1      THR  18   5.166   0.888   9.416
  154   1HG2  THR  18          HG21      THR  18   5.092   3.522   7.456
  155   2HG2  THR  18          HG22      THR  18   3.610   3.196   8.353
  156   3HG2  THR  18          HG23      THR  18   3.628   3.046   6.597
  157    H    THR  19           HN       THR  19   5.896  -0.605   5.732
  158    HA   THR  19           HA       THR  19   5.505  -3.116   7.235
  159    HB   THR  19           HB       THR  19   4.011  -3.343   5.293
  160    HG1  THR  19           HG1      THR  19   5.137  -5.186   5.928
  161   1HG2  THR  19          HG21      THR  19   5.206  -1.704   3.841
  162   2HG2  THR  19          HG22      THR  19   4.870  -3.224   3.013
  163   3HG2  THR  19          HG23      THR  19   6.494  -2.888   3.613
  164    H    GLU  20           HN       GLU  20   7.289  -4.754   6.181
  165    HA   GLU  20           HA       GLU  20   9.795  -3.155   5.772
  166   1HB   GLU  20          HB2       GLU  20  10.891  -4.916   7.169
  167   2HB   GLU  20          HB1       GLU  20   9.647  -4.032   8.047
  168   1HG   GLU  20          HG2       GLU  20   8.511  -5.936   8.442
  169   2HG   GLU  20          HG1       GLU  20   8.432  -6.286   6.717
  170    H    ALA  21           HN       ALA  21   9.787  -3.509   3.486
  171    HA   ALA  21           HA       ALA  21  10.177  -6.367   2.646
  172   1HB   ALA  21          HB1       ALA  21   8.859  -5.926   0.774
  173   2HB   ALA  21          HB2       ALA  21   9.232  -4.202   0.794
  174   3HB   ALA  21          HB3       ALA  21   8.093  -4.872   1.962
  175    H    VAL  22           HN       VAL  22  11.351  -6.272   0.344
  176    HA   VAL  22           HA       VAL  22  13.809  -4.631   0.737
  177    HB   VAL  22           HB       VAL  22  14.008  -7.083   0.566
  178   1HG1  VAL  22          HG11      VAL  22  12.131  -7.743  -0.727
  179   2HG1  VAL  22          HG12      VAL  22  13.520  -8.072  -1.762
  180   3HG1  VAL  22          HG13      VAL  22  12.539  -6.634  -2.036
  181   1HG2  VAL  22          HG21      VAL  22  15.894  -5.869  -0.283
  182   2HG2  VAL  22          HG22      VAL  22  15.053  -5.486  -1.785
  183   3HG2  VAL  22          HG23      VAL  22  15.557  -7.143  -1.455
  184    H    ASP  23           HN       ASP  23  11.088  -5.089  -1.424
  185    HA   ASP  23           HA       ASP  23  11.677  -2.618  -2.848
  186   1HB   ASP  23          HB2       ASP  23  13.148  -4.660  -3.717
  187   2HB   ASP  23          HB1       ASP  23  11.669  -5.045  -4.599
  188    H    ALA  24           HN       ALA  24  10.032  -2.483  -4.801
  189    HA   ALA  24           HA       ALA  24   7.391  -2.736  -3.839
  190   1HB   ALA  24          HB1       ALA  24   6.792  -2.212  -6.183
  191   2HB   ALA  24          HB2       ALA  24   8.432  -2.622  -6.685
  192   3HB   ALA  24          HB3       ALA  24   8.152  -1.229  -5.641
  193    H    ALA  25           HN       ALA  25   9.416  -5.057  -5.504
  194    HA   ALA  25           HA       ALA  25   7.454  -6.821  -6.571
  195   1HB   ALA  25          HB1       ALA  25   9.624  -7.274  -7.248
  196   2HB   ALA  25          HB2       ALA  25   9.458  -8.488  -5.980
  197   3HB   ALA  25          HB3       ALA  25  10.295  -6.972  -5.645
  198    H    THR  26           HN       THR  26   8.523  -6.329  -3.261
  199    HA   THR  26           HA       THR  26   6.929  -8.713  -2.387
  200    HB   THR  26           HB       THR  26   9.030  -7.133  -0.879
  201    HG1  THR  26           HG1      THR  26  10.469  -8.211  -1.942
  202   1HG2  THR  26          HG21      THR  26   7.722  -9.833  -0.493
  203   2HG2  THR  26          HG22      THR  26   7.669  -8.447   0.597
  204   3HG2  THR  26          HG23      THR  26   9.177  -9.335   0.371
  205    H    ALA  27           HN       ALA  27   7.311  -5.235  -2.063
  206    HA   ALA  27           HA       ALA  27   5.758  -4.770   0.283
  207   1HB   ALA  27          HB1       ALA  27   5.595  -2.891  -2.026
  208   2HB   ALA  27          HB2       ALA  27   7.207  -3.281  -1.428
  209   3HB   ALA  27          HB3       ALA  27   6.014  -2.565  -0.344
  210    H    GLU  28           HN       GLU  28   4.717  -4.606  -3.146
  211    HA   GLU  28           HA       GLU  28   1.944  -4.179  -2.693
  212   1HB   GLU  28          HB2       GLU  28   3.454  -4.168  -4.833
  213   2HB   GLU  28          HB1       GLU  28   3.018  -5.874  -4.941
  214   1HG   GLU  28          HG2       GLU  28   0.568  -4.934  -4.564
  215   2HG   GLU  28          HG1       GLU  28   1.276  -3.453  -5.210
  216    H    LYS  29           HN       LYS  29   3.774  -7.243  -2.890
  217    HA   LYS  29           HA       LYS  29   1.605  -9.071  -2.893
  218   1HB   LYS  29          HB2       LYS  29   4.419  -9.096  -1.815
  219   2HB   LYS  29          HB1       LYS  29   3.374 -10.506  -1.639
  220   1HG   LYS  29          HG2       LYS  29   2.940 -10.192  -4.197
  221   2HG   LYS  29          HG1       LYS  29   4.429  -9.247  -4.158
  222   1HD   LYS  29          HD2       LYS  29   5.537 -11.211  -3.013
  223   2HD   LYS  29          HD1       LYS  29   4.075 -12.141  -3.341
  224   1HE   LYS  29          HE2       LYS  29   5.201 -10.694  -5.677
  225   2HE   LYS  29          HE1       LYS  29   6.168 -12.052  -5.069
  226   1HZ   LYS  29          HZ1       LYS  29   4.085 -13.368  -5.004
  227   2HZ   LYS  29          HZ2       LYS  29   4.547 -12.919  -6.576
  228   3HZ   LYS  29          HZ3       LYS  29   3.286 -12.095  -5.790
  229    H    VAL  30           HN       VAL  30   3.127  -7.353  -0.185
  230    HA   VAL  30           HA       VAL  30   1.469  -8.726   1.826
  231    HB   VAL  30           HB       VAL  30   3.402  -6.381   1.922
  232   1HG1  VAL  30          HG11      VAL  30   1.944  -6.264   3.846
  233   2HG1  VAL  30          HG12      VAL  30   3.478  -6.949   4.383
  234   3HG1  VAL  30          HG13      VAL  30   2.086  -8.001   4.122
  235   1HG2  VAL  30          HG21      VAL  30   4.688  -8.374   3.163
  236   2HG2  VAL  30          HG22      VAL  30   4.778  -8.166   1.414
  237   3HG2  VAL  30          HG23      VAL  30   3.671  -9.351   2.106
  238    H    PHE  31           HN       PHE  31   1.761  -5.404   0.512
  239    HA   PHE  31           HA       PHE  31  -0.428  -4.295   2.002
  240   1HB   PHE  31          HB2       PHE  31   1.142  -3.604  -0.464
  241   2HB   PHE  31          HB1       PHE  31  -0.294  -2.659  -0.077
  242    HD1  PHE  31           HD1      PHE  31  -0.335  -2.442   2.796
  243    HD2  PHE  31           HD2      PHE  31   3.049  -2.409   0.150
  244    HE1  PHE  31           HE1      PHE  31   0.962  -1.156   4.471
  245    HE2  PHE  31           HE2      PHE  31   4.345  -1.127   1.830
  246    HZ   PHE  31           HZ       PHE  31   3.304  -0.500   3.989
  247    H    LYS  32           HN       LYS  32  -0.257  -5.892  -1.175
  248    HA   LYS  32           HA       LYS  32  -2.946  -5.343  -2.013
  249   1HB   LYS  32          HB2       LYS  32  -1.109  -6.181  -3.460
  250   2HB   LYS  32          HB1       LYS  32  -1.121  -7.712  -2.584
  251   1HG   LYS  32          HG2       LYS  32  -2.997  -8.452  -3.645
  252   2HG   LYS  32          HG1       LYS  32  -3.761  -6.863  -3.612
  253   1HD   LYS  32          HD2       LYS  32  -2.272  -6.128  -5.458
  254   2HD   LYS  32          HD1       LYS  32  -1.572  -7.746  -5.517
  255   1HE   LYS  32          HE2       LYS  32  -3.958  -8.616  -5.882
  256   2HE   LYS  32          HE1       LYS  32  -4.413  -6.926  -6.179
  257   1HZ   LYS  32          HZ1       LYS  32  -2.198  -8.359  -7.551
  258   2HZ   LYS  32          HZ2       LYS  32  -2.705  -6.765  -7.853
  259   3HZ   LYS  32          HZ3       LYS  32  -3.726  -8.070  -8.228
  260    H    GLN  33           HN       GLN  33  -1.504  -8.085  -0.232
  261    HA   GLN  33           HA       GLN  33  -3.904  -9.606   0.106
  262   1HB   GLN  33          HB2       GLN  33  -1.404 -10.180   0.489
  263   2HB   GLN  33          HB1       GLN  33  -1.635  -9.464   2.084
  264   1HG   GLN  33          HG2       GLN  33  -2.124 -11.716   2.490
  265   2HG   GLN  33          HG1       GLN  33  -3.728 -11.042   2.192
  266   1HE2  GLN  33          HE21      GLN  33  -4.761 -12.795   1.143
  267   2HE2  GLN  33          HE22      GLN  33  -4.186 -13.511  -0.285
  268    H    TYR  34           HN       TYR  34  -2.579  -6.862   1.774
  269    HA   TYR  34           HA       TYR  34  -4.291  -6.977   4.121
  270   1HB   TYR  34          HB2       TYR  34  -2.273  -5.799   4.378
  271   2HB   TYR  34          HB1       TYR  34  -2.392  -5.048   2.792
  272    HD1  TYR  34           HD1      TYR  34  -3.511  -2.953   2.491
  273    HD2  TYR  34           HD2      TYR  34  -3.682  -4.983   6.267
  274    HE1  TYR  34           HE1      TYR  34  -4.470  -0.919   3.532
  275    HE2  TYR  34           HE2      TYR  34  -4.646  -2.949   7.318
  276    HH   TYR  34           HH       TYR  34  -4.726  -0.545   6.927
  277    H    ALA  35           HN       ALA  35  -4.323  -5.078   1.089
  278    HA   ALA  35           HA       ALA  35  -6.866  -3.781   1.650
  279   1HB   ALA  35          HB1       ALA  35  -6.490  -3.582  -1.043
  280   2HB   ALA  35          HB2       ALA  35  -4.851  -3.982  -0.525
  281   3HB   ALA  35          HB3       ALA  35  -5.661  -2.552   0.125
  282    H    ASN  36           HN       ASN  36  -5.843  -6.660  -0.151
  283    HA   ASN  36           HA       ASN  36  -8.206  -7.282  -1.548
  284   1HB   ASN  36          HB2       ASN  36  -5.914  -8.806  -0.362
  285   2HB   ASN  36          HB1       ASN  36  -7.265  -9.710  -1.045
  286   1HD2  ASN  36          HD21      ASN  36  -5.611 -10.411  -2.727
  287   2HD2  ASN  36          HD22      ASN  36  -5.304  -9.377  -4.038
  288    H    ASP  37           HN       ASP  37  -7.241  -8.340   1.733
  289    HA   ASP  37           HA       ASP  37  -9.713  -9.729   2.301
  290   1HB   ASP  37          HB2       ASP  37  -7.327  -9.856   3.357
  291   2HB   ASP  37          HB1       ASP  37  -7.871  -8.506   4.353
  292    H    ASN  38           HN       ASN  38  -8.465  -6.510   3.238
  293    HA   ASN  38           HA       ASN  38 -10.730  -5.658   4.760
  294   1HB   ASN  38          HB2       ASN  38  -8.531  -4.304   3.198
  295   2HB   ASN  38          HB1       ASN  38  -9.766  -3.351   4.022
  296   1HD2  ASN  38          HD21      ASN  38  -6.722  -4.061   4.567
  297   2HD2  ASN  38          HD22      ASN  38  -6.727  -4.424   6.225
  298    H    GLY  39           HN       GLY  39  -9.964  -5.317   1.293
  299   1HA   GLY  39          HA2       GLY  39 -11.776  -5.470  -0.368
  300   2HA   GLY  39          HA1       GLY  39 -12.848  -4.706   0.807
  301    H    ILE  40           HN       ILE  40  -9.578  -3.849  -0.375
  302    HA   ILE  40           HA       ILE  40 -10.624  -1.098  -0.936
  303    HB   ILE  40           HB       ILE  40  -7.859  -2.165  -0.263
  304   1HG1  ILE  40          HG12      ILE  40  -9.759  -0.372   1.285
  305   2HG1  ILE  40          HG11      ILE  40  -9.536  -2.094   1.590
  306   1HG2  ILE  40          HG21      ILE  40  -8.827   0.518  -1.187
  307   2HG2  ILE  40          HG22      ILE  40  -7.296  -0.295  -1.527
  308   3HG2  ILE  40          HG23      ILE  40  -7.563   0.469   0.041
  309   1HD1  ILE  40          HD11      ILE  40  -8.157  -0.254   2.941
  310   2HD1  ILE  40          HD12      ILE  40  -7.099  -0.365   1.534
  311   3HD1  ILE  40          HD13      ILE  40  -7.434  -1.802   2.501
  312    H    ASP  41           HN       ASP  41 -11.300  -2.576  -2.997
  313    HA   ASP  41           HA       ASP  41  -9.150  -2.953  -4.965
  314   1HB   ASP  41          HB2       ASP  41 -11.231  -4.367  -4.708
  315   2HB   ASP  41          HB1       ASP  41 -12.171  -2.989  -5.283
  316    H    GLY  42           HN       GLY  42  -8.775  -0.428  -4.360
  317   1HA   GLY  42          HA2       GLY  42 -10.472   1.361  -5.980
  318   2HA   GLY  42          HA1       GLY  42  -9.155   1.855  -4.912
  319    H    GLU  43           HN       GLU  43  -7.906   3.023  -6.307
  320    HA   GLU  43           HA       GLU  43  -6.922   1.661  -8.748
  321   1HB   GLU  43          HB2       GLU  43  -7.273   4.595  -8.069
  322   2HB   GLU  43          HB1       GLU  43  -6.564   4.005  -9.573
  323   1HG   GLU  43          HG2       GLU  43  -8.581   3.277 -10.403
  324   2HG   GLU  43          HG1       GLU  43  -9.218   2.890  -8.804
  325    H    TRP  44           HN       TRP  44  -4.983   0.789  -8.138
  326    HA   TRP  44           HA       TRP  44  -3.331   1.958  -6.094
  327   1HB   TRP  44          HB2       TRP  44  -3.125  -0.344  -8.012
  328   2HB   TRP  44          HB1       TRP  44  -1.786   0.075  -6.936
  329    HD1  TRP  44           HD1      TRP  44  -5.573  -0.658  -6.717
  330    HE1  TRP  44           HE1      TRP  44  -6.039  -1.773  -4.435
  331    HE3  TRP  44           HE3      TRP  44  -0.892  -0.499  -4.681
  332    HZ2  TRP  44           HZ2      TRP  44  -4.613  -2.483  -2.065
  333    HZ3  TRP  44           HZ3      TRP  44  -0.475  -1.400  -2.411
  334    HH2  TRP  44           HH2      TRP  44  -2.329  -2.395  -1.100
  335    H    THR  45           HN       THR  45  -1.435   3.025  -6.266
  336    HA   THR  45           HA       THR  45  -0.134   3.500  -8.863
  337    HB   THR  45           HB       THR  45  -0.286   6.035  -8.290
  338    HG1  THR  45           HG1      THR  45  -1.583   6.550  -6.731
  339   1HG2  THR  45          HG21      THR  45  -2.944   4.873  -9.068
  340   2HG2  THR  45          HG22      THR  45  -1.541   4.611 -10.103
  341   3HG2  THR  45          HG23      THR  45  -2.087   6.251  -9.758
  342    H    TYR  46           HN       TYR  46   2.033   3.570  -8.451
  343    HA   TYR  46           HA       TYR  46   2.894   3.806  -5.604
  344   1HB   TYR  46          HB2       TYR  46   3.480   1.730  -6.631
  345   2HB   TYR  46          HB1       TYR  46   3.971   2.514  -8.126
  346    HD1  TYR  46           HD1      TYR  46   4.945   1.805  -4.619
  347    HD2  TYR  46           HD2      TYR  46   6.159   3.508  -8.371
  348    HE1  TYR  46           HE1      TYR  46   7.282   1.866  -3.831
  349    HE2  TYR  46           HE2      TYR  46   8.505   3.576  -7.577
  350    HH   TYR  46           HH       TYR  46   9.796   1.972  -5.538
  351    H    ASP  47           HN       ASP  47   4.321   5.428  -5.000
  352    HA   ASP  47           HA       ASP  47   5.167   7.371  -7.121
  353   1HB   ASP  47          HB2       ASP  47   4.476   7.657  -4.182
  354   2HB   ASP  47          HB1       ASP  47   5.146   8.969  -5.152
  355    H    ASP  48           HN       ASP  48   7.319   7.170  -7.540
  356    HA   ASP  48           HA       ASP  48   9.185   5.813  -5.800
  357   1HB   ASP  48          HB2       ASP  48  10.805   6.576  -7.523
  358   2HB   ASP  48          HB1       ASP  48   9.349   5.906  -8.256
  359    H    ALA  49           HN       ALA  49   8.181   9.157  -6.131
  360    HA   ALA  49           HA       ALA  49  10.344  10.598  -5.102
  361   1HB   ALA  49          HB1       ALA  49   8.776  12.284  -4.885
  362   2HB   ALA  49          HB2       ALA  49   7.589  11.219  -4.131
  363   3HB   ALA  49          HB3       ALA  49   7.843  11.161  -5.875
  364    H    THR  50           HN       THR  50   7.898   8.729  -3.321
  365    HA   THR  50           HA       THR  50   9.671   8.799  -0.920
  366    HB   THR  50           HB       THR  50   7.662   9.337   0.453
  367    HG1  THR  50           HG1      THR  50   5.881   8.895  -0.571
  368   1HG2  THR  50          HG21      THR  50   8.065  11.336  -1.785
  369   2HG2  THR  50          HG22      THR  50   9.197  11.118  -0.450
  370   3HG2  THR  50          HG23      THR  50   7.555  11.679  -0.131
  371    H    LYS  51           HN       LYS  51   8.358   6.813  -3.092
  372    HA   LYS  51           HA       LYS  51   7.583   4.583  -3.097
  373   1HB   LYS  51          HB2       LYS  51   9.666   5.010  -1.165
  374   2HB   LYS  51          HB1       LYS  51   8.553   3.810  -0.512
  375   1HG   LYS  51          HG2       LYS  51   9.795   2.365  -1.772
  376   2HG   LYS  51          HG1       LYS  51   8.744   2.930  -3.073
  377   1HD   LYS  51          HD2       LYS  51  11.066   3.087  -3.804
  378   2HD   LYS  51          HD1       LYS  51  10.420   4.714  -3.589
  379   1HE   LYS  51          HE2       LYS  51  11.836   5.174  -1.854
  380   2HE   LYS  51          HE1       LYS  51  11.675   3.544  -1.170
  381   1HZ   LYS  51          HZ1       LYS  51  13.871   3.782  -2.085
  382   2HZ   LYS  51          HZ2       LYS  51  13.246   4.312  -3.573
  383   3HZ   LYS  51          HZ3       LYS  51  12.992   2.711  -3.064
  384    H    THR  52           HN       THR  52   5.284   5.021  -2.887
  385    HA   THR  52           HA       THR  52   4.165   4.090  -0.319
  386    HB   THR  52           HB       THR  52   3.566   6.840  -1.451
  387    HG1  THR  52           HG1      THR  52   4.696   7.548   0.376
  388   1HG2  THR  52          HG21      THR  52   1.776   5.470  -0.134
  389   2HG2  THR  52          HG22      THR  52   2.085   7.141   0.339
  390   3HG2  THR  52          HG23      THR  52   2.788   5.817   1.268
  391    H    PHE  53           HN       PHE  53   2.829   2.509  -1.159
  392    HA   PHE  53           HA       PHE  53   1.536   2.597  -3.732
  393   1HB   PHE  53          HB2       PHE  53   1.027   1.070  -1.156
  394   2HB   PHE  53          HB1       PHE  53   0.174   0.727  -2.660
  395    HD1  PHE  53           HD1      PHE  53   1.318  -0.275  -4.565
  396    HD2  PHE  53           HD2      PHE  53   3.424   0.608  -0.927
  397    HE1  PHE  53           HE1      PHE  53   3.213  -1.685  -5.320
  398    HE2  PHE  53           HE2      PHE  53   5.320  -0.802  -1.680
  399    HZ   PHE  53           HZ       PHE  53   5.213  -1.950  -3.880
  400    H    THR  54           HN       THR  54  -0.315   3.742  -4.304
  401    HA   THR  54           HA       THR  54  -1.946   4.873  -2.041
  402    HB   THR  54           HB       THR  54  -1.407   5.982  -4.808
  403    HG1  THR  54           HG1      THR  54  -0.363   6.710  -2.276
  404   1HG2  THR  54          HG21      THR  54  -3.526   6.589  -3.273
  405   2HG2  THR  54          HG22      THR  54  -2.693   7.799  -4.247
  406   3HG2  THR  54          HG23      THR  54  -2.335   7.653  -2.527
  407    H    VAL  55           HN       VAL  55  -3.699   3.360  -1.998
  408    HA   VAL  55           HA       VAL  55  -5.176   2.958  -4.529
  409    HB   VAL  55           HB       VAL  55  -4.499   0.953  -3.165
  410   1HG1  VAL  55          HG11      VAL  55  -4.849   2.129  -0.941
  411   2HG1  VAL  55          HG12      VAL  55  -5.539   0.504  -1.051
  412   3HG1  VAL  55          HG13      VAL  55  -6.581   1.927  -1.215
  413   1HG2  VAL  55          HG21      VAL  55  -6.511   1.019  -4.686
  414   2HG2  VAL  55          HG22      VAL  55  -7.491   1.349  -3.257
  415   3HG2  VAL  55          HG23      VAL  55  -6.610  -0.172  -3.389
  416    H    THR  56           HN       THR  56  -7.611   3.057  -4.286
  417    HA   THR  56           HA       THR  56  -8.730   4.672  -2.108
  418    HB   THR  56           HB       THR  56  -8.358   5.714  -4.932
  419    HG1  THR  56           HG1      THR  56  -6.622   6.492  -4.092
  420   1HG2  THR  56          HG21      THR  56 -10.149   6.526  -2.716
  421   2HG2  THR  56          HG22      THR  56 -10.312   6.798  -4.451
  422   3HG2  THR  56          HG23      THR  56  -9.261   7.838  -3.490
  423    H    GLU  57           HN       GLU  57 -10.639   3.531  -1.850
  424    HA   GLU  57           HA       GLU  57 -11.920   1.939  -3.851
  425   1HB   GLU  57          HB2       GLU  57 -12.775   3.204  -1.242
  426   2HB   GLU  57          HB1       GLU  57 -13.878   2.195  -2.178
  427   1HG   GLU  57          HG2       GLU  57 -11.109   1.247  -1.433
  428   2HG   GLU  57          HG1       GLU  57 -12.491   1.014  -0.360
  Start of MODEL    8
    1   1H    MET   1          HT1       MET   1  17.253  -1.113   3.550
    2   2H    MET   1          HT2       MET   1  17.026  -2.370   4.671
    3   3H    MET   1          HT3       MET   1  16.195  -0.900   4.859
    4    HA   MET   1           HA       MET   1  15.819  -2.661   2.497
    5   1HB   MET   1          HB2       MET   1  13.808  -3.459   3.745
    6   2HB   MET   1          HB1       MET   1  15.310  -3.884   4.561
    7   1HG   MET   1          HG2       MET   1  14.079  -1.270   5.299
    8   2HG   MET   1          HG1       MET   1  13.247  -2.722   5.849
    9   1HE   MET   1          HE1       MET   1  14.291  -3.970   8.386
   10   2HE   MET   1          HE2       MET   1  13.252  -2.644   7.871
   11   3HE   MET   1          HE3       MET   1  14.515  -2.351   9.063
   12    H    THR   2           HN       THR   2  13.769  -2.073   1.412
   13    HA   THR   2           HA       THR   2  13.324   0.843   1.431
   14    HB   THR   2           HB       THR   2  12.027  -1.340  -0.226
   15    HG1  THR   2           HG1      THR   2  14.434   0.103  -0.636
   16   1HG2  THR   2          HG21      THR   2  12.435   1.636  -0.581
   17   2HG2  THR   2          HG22      THR   2  10.904   0.766  -0.482
   18   3HG2  THR   2          HG23      THR   2  11.943   0.568  -1.895
   19    H    THR   3           HN       THR   3  11.888   1.605   2.939
   20    HA   THR   3           HA       THR   3   9.684  -0.063   3.902
   21    HB   THR   3           HB       THR   3  10.375   2.781   4.640
   22    HG1  THR   3           HG1      THR   3  12.138   2.069   5.490
   23   1HG2  THR   3          HG21      THR   3   9.137   2.407   6.548
   24   2HG2  THR   3          HG22      THR   3   9.486   0.678   6.562
   25   3HG2  THR   3          HG23      THR   3   8.286   1.326   5.443
   26    H    PHE   4           HN       PHE   4   8.324  -0.076   1.966
   27    HA   PHE   4           HA       PHE   4   7.446   2.367   0.670
   28   1HB   PHE   4          HB2       PHE   4   6.379  -0.472   0.779
   29   2HB   PHE   4          HB1       PHE   4   5.744   0.766  -0.302
   30    HD1  PHE   4           HD1      PHE   4   8.545  -1.477   0.420
   31    HD2  PHE   4           HD2      PHE   4   7.134   1.678  -2.129
   32    HE1  PHE   4           HE1      PHE   4  10.354  -1.979  -1.199
   33    HE2  PHE   4           HE2      PHE   4   8.945   1.178  -3.749
   34    HZ   PHE   4           HZ       PHE   4  10.553  -0.653  -3.284
   35    H    LYS   5           HN       LYS   5   5.054   2.992   0.680
   36    HA   LYS   5           HA       LYS   5   3.766   2.559   3.353
   37   1HB   LYS   5          HB2       LYS   5   4.592   5.080   1.939
   38   2HB   LYS   5          HB1       LYS   5   3.191   5.113   3.011
   39   1HG   LYS   5          HG2       LYS   5   4.459   4.581   4.903
   40   2HG   LYS   5          HG1       LYS   5   5.764   3.874   3.949
   41   1HD   LYS   5          HD2       LYS   5   5.855   6.388   2.990
   42   2HD   LYS   5          HD1       LYS   5   5.227   6.728   4.602
   43   1HE   LYS   5          HE2       LYS   5   7.430   6.676   5.225
   44   2HE   LYS   5          HE1       LYS   5   7.242   4.913   5.142
   45   1HZ   LYS   5          HZ1       LYS   5   9.057   5.598   3.725
   46   2HZ   LYS   5          HZ2       LYS   5   8.056   6.704   2.912
   47   3HZ   LYS   5          HZ3       LYS   5   7.777   5.034   2.765
   48    H    LEU   6           HN       LEU   6   1.586   2.121   3.151
   49    HA   LEU   6           HA       LEU   6   0.336   2.526   0.459
   50   1HB   LEU   6          HB2       LEU   6   0.505   0.208   1.208
   51   2HB   LEU   6          HB1       LEU   6  -0.240   0.619   2.752
   52    HG   LEU   6           HG       LEU   6  -2.306   1.316   1.516
   53   1HD1  LEU   6          HD11      LEU   6  -1.487   1.866  -0.649
   54   2HD1  LEU   6          HD12      LEU   6  -2.443   0.402  -0.877
   55   3HD1  LEU   6          HD13      LEU   6  -0.682   0.306  -0.824
   56   1HD2  LEU   6          HD21      LEU   6  -2.632  -0.819   2.324
   57   2HD2  LEU   6          HD22      LEU   6  -1.203  -1.457   1.508
   58   3HD2  LEU   6          HD23      LEU   6  -2.688  -1.178   0.597
   59    H    ILE   7           HN       ILE   7  -1.027   4.270   0.406
   60    HA   ILE   7           HA       ILE   7  -2.047   5.581   2.769
   61    HB   ILE   7           HB       ILE   7  -1.617   6.328   0.241
   62   1HG1  ILE   7          HG12      ILE   7  -3.335   8.188   0.624
   63   2HG1  ILE   7          HG11      ILE   7  -3.754   7.343   2.112
   64   1HG2  ILE   7          HG21      ILE   7  -3.620   4.709  -0.400
   65   2HG2  ILE   7          HG22      ILE   7  -3.392   6.242  -1.236
   66   3HG2  ILE   7          HG23      ILE   7  -4.594   6.111   0.044
   67   1HD1  ILE   7          HD11      ILE   7  -1.080   7.365   2.386
   68   2HD1  ILE   7          HD12      ILE   7  -2.095   8.688   2.959
   69   3HD1  ILE   7          HD13      ILE   7  -1.267   8.819   1.407
   70    H    ILE   8           HN       ILE   8  -4.580   5.806   3.035
   71    HA   ILE   8           HA       ILE   8  -5.890   3.178   2.444
   72    HB   ILE   8           HB       ILE   8  -5.888   4.713   5.064
   73   1HG1  ILE   8          HG12      ILE   8  -4.640   2.031   4.381
   74   2HG1  ILE   8          HG11      ILE   8  -3.736   3.542   4.492
   75   1HG2  ILE   8          HG21      ILE   8  -6.962   1.939   4.517
   76   2HG2  ILE   8          HG22      ILE   8  -7.978   3.378   4.434
   77   3HG2  ILE   8          HG23      ILE   8  -7.205   2.932   5.953
   78   1HD1  ILE   8          HD11      ILE   8  -3.953   1.930   6.594
   79   2HD1  ILE   8          HD12      ILE   8  -5.490   2.773   6.791
   80   3HD1  ILE   8          HD13      ILE   8  -3.979   3.683   6.790
   81    H    ASN   9           HN       ASN   9  -6.845   4.660   0.689
   82    HA   ASN   9           HA       ASN   9  -8.906   6.543   1.733
   83   1HB   ASN   9          HB2       ASN   9  -7.843   5.887  -1.033
   84   2HB   ASN   9          HB1       ASN   9  -9.107   7.075  -0.730
   85   1HD2  ASN   9          HD21      ASN   9  -6.430   7.661  -1.830
   86   2HD2  ASN   9          HD22      ASN   9  -5.675   8.709  -0.729
   87    H    GLY  10           HN       GLY  10  -9.405   3.921   2.402
   88   1HA   GLY  10          HA2       GLY  10 -11.475   3.009   0.449
   89   2HA   GLY  10          HA1       GLY  10 -10.654   1.948   1.599
   90    H    LYS  11           HN       LYS  11 -13.531   2.343   1.321
   91    HA   LYS  11           HA       LYS  11 -14.517   4.022   3.465
   92   1HB   LYS  11          HB2       LYS  11 -16.620   2.793   3.005
   93   2HB   LYS  11          HB1       LYS  11 -15.843   3.309   1.511
   94   1HG   LYS  11          HG2       LYS  11 -16.095   1.140   0.872
   95   2HG   LYS  11          HG1       LYS  11 -14.693   0.843   1.900
   96   1HD   LYS  11          HD2       LYS  11 -16.258   0.463   3.825
   97   2HD   LYS  11          HD1       LYS  11 -17.607   0.598   2.697
   98   1HE   LYS  11          HE2       LYS  11 -15.491  -1.286   1.839
   99   2HE   LYS  11          HE1       LYS  11 -16.378  -1.772   3.297
  100   1HZ   LYS  11          HZ1       LYS  11 -17.598  -2.490   1.367
  101   2HZ   LYS  11          HZ2       LYS  11 -17.563  -0.925   0.706
  102   3HZ   LYS  11          HZ3       LYS  11 -18.455  -1.234   2.119
  103    H    THR  12           HN       THR  12 -12.836   1.033   3.522
  104    HA   THR  12           HA       THR  12 -14.147   0.049   5.986
  105    HB   THR  12           HB       THR  12 -11.715  -1.014   4.529
  106    HG1  THR  12           HG1      THR  12 -12.987  -1.741   3.023
  107   1HG2  THR  12          HG21      THR  12 -11.919  -2.292   6.442
  108   2HG2  THR  12          HG22      THR  12 -13.019  -3.174   5.382
  109   3HG2  THR  12          HG23      THR  12 -13.659  -2.027   6.559
  110    H    LEU  13           HN       LEU  13 -11.126   1.603   4.944
  111    HA   LEU  13           HA       LEU  13 -10.465   2.056   7.827
  112   1HB   LEU  13          HB2       LEU  13  -8.833   0.695   5.691
  113   2HB   LEU  13          HB1       LEU  13  -8.039   1.495   7.048
  114    HG   LEU  13           HG       LEU  13 -10.229  -0.567   7.391
  115   1HD1  LEU  13          HD11      LEU  13  -8.568  -1.928   6.534
  116   2HD1  LEU  13          HD12      LEU  13  -8.057  -1.876   8.221
  117   3HD1  LEU  13          HD13      LEU  13  -7.273  -0.838   7.030
  118   1HD2  LEU  13          HD21      LEU  13 -10.064   0.731   9.358
  119   2HD2  LEU  13          HD22      LEU  13  -8.313   0.890   9.212
  120   3HD2  LEU  13          HD23      LEU  13  -9.022  -0.652   9.691
  121    H    LYS  14           HN       LYS  14  -8.619   3.703   7.993
  122    HA   LYS  14           HA       LYS  14  -8.312   5.515   5.675
  123   1HB   LYS  14          HB2       LYS  14 -10.479   5.899   7.155
  124   2HB   LYS  14          HB1       LYS  14  -9.332   6.691   8.236
  125   1HG   LYS  14          HG2       LYS  14  -8.729   8.299   6.612
  126   2HG   LYS  14          HG1       LYS  14  -9.413   7.348   5.293
  127   1HD   LYS  14          HD2       LYS  14 -11.630   7.671   6.805
  128   2HD   LYS  14          HD1       LYS  14 -10.769   9.152   7.227
  129   1HE   LYS  14          HE2       LYS  14 -11.978   9.806   5.310
  130   2HE   LYS  14          HE1       LYS  14 -10.411   9.344   4.615
  131   1HZ   LYS  14          HZ1       LYS  14 -11.227   7.158   4.171
  132   2HZ   LYS  14          HZ2       LYS  14 -12.335   8.263   3.511
  133   3HZ   LYS  14          HZ3       LYS  14 -12.689   7.471   4.972
  134    H    GLY  15           HN       GLY  15  -6.322   6.536   5.777
  135   1HA   GLY  15          HA2       GLY  15  -4.759   7.755   7.419
  136   2HA   GLY  15          HA1       GLY  15  -4.775   6.236   8.315
  137    H    GLU  16           HN       GLU  16  -2.550   5.812   8.032
  138    HA   GLU  16           HA       GLU  16  -1.792   4.950   5.269
  139   1HB   GLU  16          HB2       GLU  16  -0.629   7.042   7.025
  140   2HB   GLU  16          HB1       GLU  16   0.537   5.980   6.235
  141   1HG   GLU  16          HG2       GLU  16  -0.473   6.469   4.049
  142   2HG   GLU  16          HG1       GLU  16  -1.667   7.512   4.823
  143    H    THR  17           HN       THR  17   0.081   3.431   5.314
  144    HA   THR  17           HA       THR  17   0.552   2.116   7.958
  145    HB   THR  17           HB       THR  17  -0.185   0.698   5.378
  146    HG1  THR  17           HG1      THR  17  -2.200   0.489   6.253
  147   1HG2  THR  17          HG21      THR  17   0.958  -0.882   6.634
  148   2HG2  THR  17          HG22      THR  17  -0.679  -1.102   7.252
  149   3HG2  THR  17          HG23      THR  17   0.490  -0.152   8.169
  150    H    THR  18           HN       THR  18   2.413   0.504   7.749
  151    HA   THR  18           HA       THR  18   4.329   1.224   5.565
  152    HB   THR  18           HB       THR  18   6.074   1.358   7.383
  153    HG1  THR  18           HG1      THR  18   3.796   1.396   9.068
  154   1HG2  THR  18          HG21      THR  18   3.935   3.323   8.091
  155   2HG2  THR  18          HG22      THR  18   4.537   3.302   6.433
  156   3HG2  THR  18          HG23      THR  18   5.648   3.597   7.771
  157    H    THR  19           HN       THR  19   6.208  -0.378   5.553
  158    HA   THR  19           HA       THR  19   5.753  -2.977   6.860
  159    HB   THR  19           HB       THR  19   4.179  -2.997   4.965
  160    HG1  THR  19           HG1      THR  19   5.268  -4.923   5.454
  161   1HG2  THR  19          HG21      THR  19   4.975  -2.778   2.665
  162   2HG2  THR  19          HG22      THR  19   6.626  -2.536   3.235
  163   3HG2  THR  19          HG23      THR  19   5.390  -1.325   3.574
  164    H    GLU  20           HN       GLU  20   7.405  -4.599   5.523
  165    HA   GLU  20           HA       GLU  20   9.981  -3.090   5.200
  166   1HB   GLU  20          HB2       GLU  20   9.154  -5.402   6.892
  167   2HB   GLU  20          HB1       GLU  20  10.771  -5.472   6.192
  168   1HG   GLU  20          HG2       GLU  20  10.893  -2.968   7.063
  169   2HG   GLU  20          HG1       GLU  20   9.648  -3.533   8.178
  170    H    ALA  21           HN       ALA  21   9.992  -3.212   2.911
  171    HA   ALA  21           HA       ALA  21  10.198  -5.980   1.771
  172   1HB   ALA  21          HB1       ALA  21   8.263  -5.420   0.717
  173   2HB   ALA  21          HB2       ALA  21   9.251  -4.335  -0.261
  174   3HB   ALA  21          HB3       ALA  21   8.420  -3.723   1.169
  175    H    VAL  22           HN       VAL  22  11.924  -6.267   0.358
  176    HA   VAL  22           HA       VAL  22  14.132  -4.458   0.376
  177    HB   VAL  22           HB       VAL  22  14.253  -6.891  -0.049
  178   1HG1  VAL  22          HG11      VAL  22  13.265  -7.947  -1.857
  179   2HG1  VAL  22          HG12      VAL  22  13.300  -6.495  -2.858
  180   3HG1  VAL  22          HG13      VAL  22  12.092  -6.658  -1.584
  181   1HG2  VAL  22          HG21      VAL  22  16.025  -5.324  -0.918
  182   2HG2  VAL  22          HG22      VAL  22  15.201  -5.343  -2.478
  183   3HG2  VAL  22          HG23      VAL  22  15.895  -6.829  -1.828
  184    H    ASP  23           HN       ASP  23  11.365  -4.752  -1.779
  185    HA   ASP  23           HA       ASP  23  11.854  -2.120  -2.927
  186   1HB   ASP  23          HB2       ASP  23  12.267  -2.939  -5.222
  187   2HB   ASP  23          HB1       ASP  23  13.513  -3.512  -4.118
  188    H    ALA  24           HN       ALA  24  10.244  -1.958  -4.984
  189    HA   ALA  24           HA       ALA  24   7.602  -2.207  -4.055
  190   1HB   ALA  24          HB1       ALA  24   7.076  -1.894  -6.533
  191   2HB   ALA  24          HB2       ALA  24   8.812  -2.022  -6.820
  192   3HB   ALA  24          HB3       ALA  24   8.175  -0.706  -5.833
  193    H    ALA  25           HN       ALA  25   9.627  -4.585  -5.640
  194    HA   ALA  25           HA       ALA  25   7.658  -6.357  -6.688
  195   1HB   ALA  25          HB1       ALA  25  10.095  -7.480  -5.400
  196   2HB   ALA  25          HB2       ALA  25  10.361  -6.227  -6.612
  197   3HB   ALA  25          HB3       ALA  25   9.492  -7.700  -7.043
  198    H    THR  26           HN       THR  26   8.808  -5.856  -3.396
  199    HA   THR  26           HA       THR  26   7.126  -8.139  -2.437
  200    HB   THR  26           HB       THR  26   9.195  -6.530  -0.921
  201    HG1  THR  26           HG1      THR  26  10.670  -8.089  -1.592
  202   1HG2  THR  26          HG21      THR  26   7.490  -8.164   0.174
  203   2HG2  THR  26          HG22      THR  26   9.194  -8.316   0.604
  204   3HG2  THR  26          HG23      THR  26   8.475  -9.430  -0.559
  205    H    ALA  27           HN       ALA  27   7.543  -4.655  -2.293
  206    HA   ALA  27           HA       ALA  27   6.006  -4.023   0.018
  207   1HB   ALA  27          HB1       ALA  27   6.221  -1.864  -0.786
  208   2HB   ALA  27          HB2       ALA  27   5.831  -2.335  -2.440
  209   3HB   ALA  27          HB3       ALA  27   7.437  -2.655  -1.789
  210    H    GLU  28           HN       GLU  28   4.861  -3.810  -3.377
  211    HA   GLU  28           HA       GLU  28   2.083  -3.579  -2.781
  212   1HB   GLU  28          HB2       GLU  28   3.614  -3.407  -4.981
  213   2HB   GLU  28          HB1       GLU  28   2.998  -5.042  -5.223
  214   1HG   GLU  28          HG2       GLU  28   0.678  -4.177  -4.923
  215   2HG   GLU  28          HG1       GLU  28   1.333  -2.544  -4.800
  216    H    LYS  29           HN       LYS  29   4.122  -6.461  -3.240
  217    HA   LYS  29           HA       LYS  29   2.097  -8.455  -3.346
  218   1HB   LYS  29          HB2       LYS  29   4.559  -8.721  -3.747
  219   2HB   LYS  29          HB1       LYS  29   4.823  -8.573  -2.009
  220   1HG   LYS  29          HG2       LYS  29   3.795 -10.620  -1.543
  221   2HG   LYS  29          HG1       LYS  29   2.880 -10.616  -3.052
  222   1HD   LYS  29          HD2       LYS  29   4.687 -11.348  -4.312
  223   2HD   LYS  29          HD1       LYS  29   5.872 -10.676  -3.192
  224   1HE   LYS  29          HE2       LYS  29   4.075 -12.933  -2.306
  225   2HE   LYS  29          HE1       LYS  29   5.561 -13.267  -3.219
  226   1HZ   LYS  29          HZ1       LYS  29   5.941 -13.172  -0.796
  227   2HZ   LYS  29          HZ2       LYS  29   5.418 -11.556  -0.793
  228   3HZ   LYS  29          HZ3       LYS  29   6.824 -11.994  -1.640
  229    H    VAL  30           HN       VAL  30   3.615  -6.848  -0.564
  230    HA   VAL  30           HA       VAL  30   2.101  -8.435   1.400
  231    HB   VAL  30           HB       VAL  30   3.894  -5.985   1.589
  232   1HG1  VAL  30          HG11      VAL  30   4.095  -6.805   4.014
  233   2HG1  VAL  30          HG12      VAL  30   2.656  -7.773   3.691
  234   3HG1  VAL  30          HG13      VAL  30   2.579  -6.014   3.577
  235   1HG2  VAL  30          HG21      VAL  30   4.485  -8.889   2.231
  236   2HG2  VAL  30          HG22      VAL  30   5.631  -7.548   2.228
  237   3HG2  VAL  30          HG23      VAL  30   4.928  -8.111   0.711
  238    H    PHE  31           HN       PHE  31   2.175  -5.024   0.305
  239    HA   PHE  31           HA       PHE  31  -0.002  -4.102   1.910
  240   1HB   PHE  31          HB2       PHE  31   1.378  -3.254  -0.621
  241   2HB   PHE  31          HB1       PHE  31  -0.087  -2.409  -0.128
  242    HD1  PHE  31           HD1      PHE  31   0.072  -2.319   2.782
  243    HD2  PHE  31           HD2      PHE  31   3.202  -1.883  -0.129
  244    HE1  PHE  31           HE1      PHE  31   1.389  -0.981   4.399
  245    HE2  PHE  31           HE2      PHE  31   4.519  -0.546   1.492
  246    HZ   PHE  31           HZ       PHE  31   3.613  -0.095   3.755
  247    H    LYS  32           HN       LYS  32   0.094  -5.664  -1.274
  248    HA   LYS  32           HA       LYS  32  -2.653  -5.240  -1.993
  249   1HB   LYS  32          HB2       LYS  32  -0.851  -5.988  -3.527
  250   2HB   LYS  32          HB1       LYS  32  -0.742  -7.514  -2.650
  251   1HG   LYS  32          HG2       LYS  32  -3.255  -7.782  -3.166
  252   2HG   LYS  32          HG1       LYS  32  -3.022  -6.489  -4.343
  253   1HD   LYS  32          HD2       LYS  32  -1.945  -7.853  -5.796
  254   2HD   LYS  32          HD1       LYS  32  -0.958  -8.570  -4.522
  255   1HE   LYS  32          HE2       LYS  32  -3.815  -9.343  -4.430
  256   2HE   LYS  32          HE1       LYS  32  -2.923  -9.933  -5.847
  257   1HZ   LYS  32          HZ1       LYS  32  -2.671 -11.419  -3.924
  258   2HZ   LYS  32          HZ2       LYS  32  -1.986 -10.145  -3.033
  259   3HZ   LYS  32          HZ3       LYS  32  -1.189 -10.751  -4.405
  260    H    GLN  33           HN       GLN  33  -1.003  -7.931  -0.309
  261    HA   GLN  33           HA       GLN  33  -3.315  -9.553   0.143
  262   1HB   GLN  33          HB2       GLN  33  -0.760  -9.992   0.412
  263   2HB   GLN  33          HB1       GLN  33  -0.983  -9.335   2.033
  264   1HG   GLN  33          HG2       GLN  33  -2.662 -11.593   0.912
  265   2HG   GLN  33          HG1       GLN  33  -1.205 -11.856   1.869
  266   1HE2  GLN  33          HE21      GLN  33  -4.493 -11.762   2.207
  267   2HE2  GLN  33          HE22      GLN  33  -4.605 -11.238   3.818
  268    H    TYR  34           HN       TYR  34  -1.968  -6.814   1.813
  269    HA   TYR  34           HA       TYR  34  -3.563  -6.974   4.223
  270   1HB   TYR  34          HB2       TYR  34  -1.571  -5.703   4.321
  271   2HB   TYR  34          HB1       TYR  34  -1.881  -4.922   2.776
  272    HD1  TYR  34           HD1      TYR  34  -2.819  -5.014   6.357
  273    HD2  TYR  34           HD2      TYR  34  -3.199  -2.919   2.631
  274    HE1  TYR  34           HE1      TYR  34  -3.822  -3.080   7.548
  275    HE2  TYR  34           HE2      TYR  34  -4.199  -0.984   3.813
  276    HH   TYR  34           HH       TYR  34  -5.239  -1.169   7.082
  277    H    ALA  35           HN       ALA  35  -3.814  -4.894   1.310
  278    HA   ALA  35           HA       ALA  35  -6.368  -3.753   1.959
  279   1HB   ALA  35          HB1       ALA  35  -6.242  -3.604  -0.738
  280   2HB   ALA  35          HB2       ALA  35  -4.563  -4.025  -0.400
  281   3HB   ALA  35          HB3       ALA  35  -5.270  -2.569   0.309
  282    H    ASN  36           HN       ASN  36  -5.434  -6.607   0.045
  283    HA   ASN  36           HA       ASN  36  -7.964  -7.314  -0.995
  284   1HB   ASN  36          HB2       ASN  36  -5.691  -8.255  -1.555
  285   2HB   ASN  36          HB1       ASN  36  -5.759  -9.165  -0.046
  286   1HD2  ASN  36          HD21      ASN  36  -7.203  -8.873  -3.277
  287   2HD2  ASN  36          HD22      ASN  36  -8.021 -10.359  -3.234
  288    H    ASP  37           HN       ASP  37  -6.440  -8.181   2.108
  289    HA   ASP  37           HA       ASP  37  -8.576  -9.901   3.025
  290   1HB   ASP  37          HB2       ASP  37  -6.021  -9.348   3.767
  291   2HB   ASP  37          HB1       ASP  37  -6.900  -8.410   4.974
  292    H    ASN  38           HN       ASN  38  -7.696  -6.532   3.881
  293    HA   ASN  38           HA       ASN  38  -9.984  -6.023   5.535
  294   1HB   ASN  38          HB2       ASN  38  -7.967  -4.385   4.009
  295   2HB   ASN  38          HB1       ASN  38  -9.306  -3.584   4.831
  296   1HD2  ASN  38          HD21      ASN  38  -6.143  -4.423   5.325
  297   2HD2  ASN  38          HD22      ASN  38  -6.156  -4.620   7.011
  298    H    GLY  39           HN       GLY  39  -9.343  -5.165   2.114
  299   1HA   GLY  39          HA2       GLY  39 -11.290  -5.649   0.552
  300   2HA   GLY  39          HA1       GLY  39 -12.294  -4.835   1.752
  301    H    ILE  40           HN       ILE  40  -9.203  -4.115   0.071
  302    HA   ILE  40           HA       ILE  40 -10.334  -1.409  -0.562
  303    HB   ILE  40           HB       ILE  40  -7.523  -2.213   0.259
  304   1HG1  ILE  40          HG12      ILE  40  -9.601  -0.481   1.636
  305   2HG1  ILE  40          HG11      ILE  40  -9.240  -2.150   2.072
  306   1HG2  ILE  40          HG21      ILE  40  -8.697   0.356  -0.788
  307   2HG2  ILE  40          HG22      ILE  40  -7.152  -0.399  -1.195
  308   3HG2  ILE  40          HG23      ILE  40  -7.360   0.411   0.359
  309   1HD1  ILE  40          HD11      ILE  40  -8.065  -0.208   3.378
  310   2HD1  ILE  40          HD12      ILE  40  -7.022  -0.123   1.959
  311   3HD1  ILE  40          HD13      ILE  40  -7.115  -1.615   2.896
  312    H    ASP  41           HN       ASP  41 -10.900  -2.895  -2.558
  313    HA   ASP  41           HA       ASP  41  -8.628  -3.308  -4.418
  314   1HB   ASP  41          HB2       ASP  41 -11.620  -3.819  -4.487
  315   2HB   ASP  41          HB1       ASP  41 -10.555  -4.178  -5.847
  316    H    GLY  42           HN       GLY  42  -8.732  -0.667  -3.846
  317   1HA   GLY  42          HA2       GLY  42 -10.509   0.793  -5.650
  318   2HA   GLY  42          HA1       GLY  42  -9.262   1.488  -4.615
  319    H    GLU  43           HN       GLU  43  -8.138   2.701  -6.053
  320    HA   GLU  43           HA       GLU  43  -7.052   1.357  -8.455
  321   1HB   GLU  43          HB2       GLU  43  -6.896   3.643  -9.393
  322   2HB   GLU  43          HB1       GLU  43  -8.541   3.283  -8.877
  323   1HG   GLU  43          HG2       GLU  43  -7.308   4.367  -6.596
  324   2HG   GLU  43          HG1       GLU  43  -6.721   5.354  -7.931
  325    H    TRP  44           HN       TRP  44  -5.020   0.665  -7.997
  326    HA   TRP  44           HA       TRP  44  -3.407   1.932  -5.961
  327   1HB   TRP  44          HB2       TRP  44  -3.145  -0.397  -7.832
  328   2HB   TRP  44          HB1       TRP  44  -1.779   0.123  -6.838
  329    HD1  TRP  44           HD1      TRP  44  -5.501  -0.809  -6.406
  330    HE1  TRP  44           HE1      TRP  44  -5.791  -1.882  -4.077
  331    HE3  TRP  44           HE3      TRP  44  -0.741  -0.336  -4.616
  332    HZ2  TRP  44           HZ2      TRP  44  -4.215  -2.441  -1.764
  333    HZ3  TRP  44           HZ3      TRP  44  -0.164  -1.149  -2.347
  334    HH2  TRP  44           HH2      TRP  44  -1.896  -2.205  -0.920
  335    H    THR  45           HN       THR  45  -1.574   3.097  -6.205
  336    HA   THR  45           HA       THR  45  -0.386   3.606  -8.851
  337    HB   THR  45           HB       THR  45  -0.661   6.145  -8.266
  338    HG1  THR  45           HG1      THR  45  -2.675   6.460  -7.144
  339   1HG2  THR  45          HG21      THR  45  -3.135   4.620  -9.106
  340   2HG2  THR  45          HG22      THR  45  -1.740   4.854 -10.161
  341   3HG2  THR  45          HG23      THR  45  -2.660   6.247  -9.593
  342    H    TYR  46           HN       TYR  46   1.785   3.832  -8.529
  343    HA   TYR  46           HA       TYR  46   2.741   4.113  -5.716
  344   1HB   TYR  46          HB2       TYR  46   3.398   2.073  -6.753
  345   2HB   TYR  46          HB1       TYR  46   3.754   2.864  -8.281
  346    HD1  TYR  46           HD1      TYR  46   5.859   4.009  -8.651
  347    HD2  TYR  46           HD2      TYR  46   4.982   2.200  -4.855
  348    HE1  TYR  46           HE1      TYR  46   8.245   4.193  -8.012
  349    HE2  TYR  46           HE2      TYR  46   7.364   2.385  -4.214
  350    HH   TYR  46           HH       TYR  46   9.697   2.541  -5.854
  351    H    ASP  47           HN       ASP  47   3.810   5.963  -5.152
  352    HA   ASP  47           HA       ASP  47   4.545   7.916  -7.286
  353   1HB   ASP  47          HB2       ASP  47   4.025   8.073  -4.305
  354   2HB   ASP  47          HB1       ASP  47   4.621   9.444  -5.240
  355    H    ASP  48           HN       ASP  48   6.677   7.968  -7.833
  356    HA   ASP  48           HA       ASP  48   8.742   6.623  -6.298
  357   1HB   ASP  48          HB2       ASP  48   8.495   7.091  -8.844
  358   2HB   ASP  48          HB1       ASP  48   9.167   8.678  -8.468
  359    H    ALA  49           HN       ALA  49   7.433   9.856  -6.272
  360    HA   ALA  49           HA       ALA  49   9.583  11.434  -5.413
  361   1HB   ALA  49          HB1       ALA  49   7.387  12.315  -5.959
  362   2HB   ALA  49          HB2       ALA  49   7.760  12.765  -4.295
  363   3HB   ALA  49          HB3       ALA  49   6.658  11.427  -4.621
  364    H    THR  50           HN       THR  50   7.469   9.322  -3.467
  365    HA   THR  50           HA       THR  50   9.535   9.314  -1.317
  366    HB   THR  50           HB       THR  50   7.739   9.776   0.342
  367    HG1  THR  50           HG1      THR  50   5.717  10.050  -0.292
  368   1HG2  THR  50          HG21      THR  50   7.795  11.870  -1.845
  369   2HG2  THR  50          HG22      THR  50   9.106  11.620  -0.691
  370   3HG2  THR  50          HG23      THR  50   7.518  12.137  -0.123
  371    H    LYS  51           HN       LYS  51   8.109   7.397  -3.392
  372    HA   LYS  51           HA       LYS  51   7.385   5.148  -3.427
  373   1HB   LYS  51          HB2       LYS  51   9.456   5.567  -1.419
  374   2HB   LYS  51          HB1       LYS  51   8.423   4.206  -0.984
  375   1HG   LYS  51          HG2       LYS  51   9.871   3.082  -2.361
  376   2HG   LYS  51          HG1       LYS  51   8.748   3.659  -3.592
  377   1HD   LYS  51          HD2       LYS  51  10.321   4.988  -4.527
  378   2HD   LYS  51          HD1       LYS  51  10.758   5.680  -2.967
  379   1HE   LYS  51          HE2       LYS  51  12.735   4.567  -3.736
  380   2HE   LYS  51          HE1       LYS  51  12.026   3.459  -2.544
  381   1HZ   LYS  51          HZ1       LYS  51  11.470   3.376  -5.462
  382   2HZ   LYS  51          HZ2       LYS  51  10.912   2.277  -4.292
  383   3HZ   LYS  51          HZ3       LYS  51  12.567   2.353  -4.670
  384    H    THR  52           HN       THR  52   5.096   5.467  -3.144
  385    HA   THR  52           HA       THR  52   4.079   4.525  -0.539
  386    HB   THR  52           HB       THR  52   3.298   7.223  -1.681
  387    HG1  THR  52           HG1      THR  52   4.459   7.976   0.180
  388   1HG2  THR  52          HG21      THR  52   1.483   6.342  -0.416
  389   2HG2  THR  52          HG22      THR  52   2.327   7.438   0.677
  390   3HG2  THR  52          HG23      THR  52   2.562   5.696   0.820
  391    H    PHE  53           HN       PHE  53   2.869   2.849  -1.414
  392    HA   PHE  53           HA       PHE  53   1.464   2.921  -3.925
  393   1HB   PHE  53          HB2       PHE  53   1.161   1.277  -1.389
  394   2HB   PHE  53          HB1       PHE  53   0.309   0.910  -2.889
  395    HD1  PHE  53           HD1      PHE  53   1.502   0.104  -4.860
  396    HD2  PHE  53           HD2      PHE  53   3.589   1.002  -1.216
  397    HE1  PHE  53           HE1      PHE  53   3.501  -1.092  -5.710
  398    HE2  PHE  53           HE2      PHE  53   5.587  -0.194  -2.062
  399    HZ   PHE  53           HZ       PHE  53   5.543  -1.241  -4.312
  400    H    THR  54           HN       THR  54  -0.441   3.977  -4.390
  401    HA   THR  54           HA       THR  54  -2.086   4.938  -2.061
  402    HB   THR  54           HB       THR  54  -1.645   6.078  -4.836
  403    HG1  THR  54           HG1      THR  54   0.151   6.471  -3.719
  404   1HG2  THR  54          HG21      THR  54  -3.243   7.626  -4.421
  405   2HG2  THR  54          HG22      THR  54  -2.720   7.833  -2.750
  406   3HG2  THR  54          HG23      THR  54  -3.815   6.518  -3.174
  407    H    VAL  55           HN       VAL  55  -3.802   3.442  -1.926
  408    HA   VAL  55           HA       VAL  55  -5.285   2.829  -4.414
  409    HB   VAL  55           HB       VAL  55  -4.479   0.909  -3.013
  410   1HG1  VAL  55          HG11      VAL  55  -5.411   0.486  -0.845
  411   2HG1  VAL  55          HG12      VAL  55  -6.512   1.863  -1.008
  412   3HG1  VAL  55          HG13      VAL  55  -4.779   2.137  -0.819
  413   1HG2  VAL  55          HG21      VAL  55  -6.559   0.815  -4.435
  414   2HG2  VAL  55          HG22      VAL  55  -7.485   1.147  -2.971
  415   3HG2  VAL  55          HG23      VAL  55  -6.529  -0.328  -3.093
  416    H    THR  56           HN       THR  56  -7.725   2.775  -4.086
  417    HA   THR  56           HA       THR  56  -8.853   4.454  -1.960
  418    HB   THR  56           HB       THR  56  -8.696   5.304  -4.867
  419    HG1  THR  56           HG1      THR  56  -6.948   6.198  -4.173
  420   1HG2  THR  56          HG21      THR  56 -10.319   6.842  -4.491
  421   2HG2  THR  56          HG22      THR  56  -9.672   7.254  -2.904
  422   3HG2  THR  56          HG23      THR  56 -10.743   5.866  -3.085
  423    H    GLU  57           HN       GLU  57 -10.534   3.026  -1.523
  424    HA   GLU  57           HA       GLU  57 -11.893   1.497  -3.607
  425   1HB   GLU  57          HB2       GLU  57 -11.476   1.285  -0.901
  426   2HB   GLU  57          HB1       GLU  57 -13.154   1.825  -0.950
  427   1HG   GLU  57          HG2       GLU  57 -12.087  -0.497  -2.580
  428   2HG   GLU  57          HG1       GLU  57 -12.883  -0.681  -1.017
  Start of MODEL    9
    1   1H    MET   1          HT1       MET   1  16.361  -0.457   5.290
    2   2H    MET   1          HT2       MET   1  17.290  -0.140   3.903
    3   3H    MET   1          HT3       MET   1  17.632  -1.497   4.868
    4    HA   MET   1           HA       MET   1  16.478  -2.301   2.961
    5   1HB   MET   1          HB2       MET   1  15.747  -2.593   5.628
    6   2HB   MET   1          HB1       MET   1  14.208  -2.269   4.831
    7   1HG   MET   1          HG2       MET   1  14.345  -4.575   4.579
    8   2HG   MET   1          HG1       MET   1  15.100  -4.037   3.078
    9   1HE   MET   1          HE1       MET   1  15.458  -6.556   5.806
   10   2HE   MET   1          HE2       MET   1  15.499  -5.026   6.679
   11   3HE   MET   1          HE3       MET   1  16.910  -6.080   6.697
   12    H    THR   2           HN       THR   2  14.139  -2.323   1.970
   13    HA   THR   2           HA       THR   2  13.477   0.463   1.213
   14    HB   THR   2           HB       THR   2  12.440  -2.221   0.243
   15    HG1  THR   2           HG1      THR   2  14.257  -2.346  -0.763
   16   1HG2  THR   2          HG21      THR   2  11.708  -0.987  -1.720
   17   2HG2  THR   2          HG22      THR   2  12.404   0.503  -1.081
   18   3HG2  THR   2          HG23      THR   2  11.016  -0.236  -0.280
   19    H    THR   3           HN       THR   3  12.013   1.469   2.548
   20    HA   THR   3           HA       THR   3   9.859  -0.120   3.794
   21    HB   THR   3           HB       THR   3  10.715   2.716   4.376
   22    HG1  THR   3           HG1      THR   3  12.264   1.941   5.632
   23   1HG2  THR   3          HG21      THR   3   9.150   0.594   5.845
   24   2HG2  THR   3          HG22      THR   3   8.646   2.233   5.430
   25   3HG2  THR   3          HG23      THR   3   9.859   1.974   6.684
   26    H    PHE   4           HN       PHE   4   8.142  -0.160   2.332
   27    HA   PHE   4           HA       PHE   4   7.446   2.211   0.725
   28   1HB   PHE   4          HB2       PHE   4   6.314  -0.571   1.114
   29   2HB   PHE   4          HB1       PHE   4   5.586   0.604   0.021
   30    HD1  PHE   4           HD1      PHE   4   8.212  -1.822   0.492
   31    HD2  PHE   4           HD2      PHE   4   7.014   1.567  -1.858
   32    HE1  PHE   4           HE1      PHE   4   9.850  -2.457  -1.255
   33    HE2  PHE   4           HE2      PHE   4   8.657   0.933  -3.606
   34    HZ   PHE   4           HZ       PHE   4  10.072  -1.079  -3.305
   35    H    LYS   5           HN       LYS   5   4.892   2.668   0.763
   36    HA   LYS   5           HA       LYS   5   3.786   2.575   3.524
   37   1HB   LYS   5          HB2       LYS   5   5.246   4.574   3.348
   38   2HB   LYS   5          HB1       LYS   5   4.314   5.120   1.955
   39   1HG   LYS   5          HG2       LYS   5   2.379   5.512   3.254
   40   2HG   LYS   5          HG1       LYS   5   2.978   4.534   4.595
   41   1HD   LYS   5          HD2       LYS   5   3.223   6.858   5.217
   42   2HD   LYS   5          HD1       LYS   5   4.833   6.217   4.890
   43   1HE   LYS   5          HE2       LYS   5   5.087   7.465   2.960
   44   2HE   LYS   5          HE1       LYS   5   3.348   7.452   2.601
   45   1HZ   LYS   5          HZ1       LYS   5   2.962   8.908   4.470
   46   2HZ   LYS   5          HZ2       LYS   5   4.094   9.625   3.425
   47   3HZ   LYS   5          HZ3       LYS   5   4.610   8.898   4.871
   48    H    LEU   6           HN       LEU   6   1.811   1.644   3.037
   49    HA   LEU   6           HA       LEU   6   0.372   2.376   0.558
   50   1HB   LEU   6          HB2       LEU   6   0.534   0.034   1.255
   51   2HB   LEU   6          HB1       LEU   6  -0.172   0.426   2.822
   52    HG   LEU   6           HG       LEU   6  -2.242   1.204   1.632
   53   1HD1  LEU   6          HD11      LEU   6  -0.730   0.105  -0.751
   54   2HD1  LEU   6          HD12      LEU   6  -1.373   1.735  -0.544
   55   3HD1  LEU   6          HD13      LEU   6  -2.474   0.374  -0.756
   56   1HD2  LEU   6          HD21      LEU   6  -2.724  -1.265   0.715
   57   2HD2  LEU   6          HD22      LEU   6  -2.596  -0.931   2.443
   58   3HD2  LEU   6          HD23      LEU   6  -1.217  -1.602   1.568
   59    H    ILE   7           HN       ILE   7  -1.056   4.079   0.583
   60    HA   ILE   7           HA       ILE   7  -1.908   5.353   3.054
   61    HB   ILE   7           HB       ILE   7  -1.517   6.232   0.577
   62   1HG1  ILE   7          HG12      ILE   7  -3.203   8.091   1.071
   63   2HG1  ILE   7          HG11      ILE   7  -3.635   7.171   2.510
   64   1HG2  ILE   7          HG21      ILE   7  -4.492   6.096   0.375
   65   2HG2  ILE   7          HG22      ILE   7  -3.571   4.673  -0.109
   66   3HG2  ILE   7          HG23      ILE   7  -3.282   6.221  -0.901
   67   1HD1  ILE   7          HD11      ILE   7  -1.748   9.013   2.635
   68   2HD1  ILE   7          HD12      ILE   7  -0.742   7.730   1.962
   69   3HD1  ILE   7          HD13      ILE   7  -1.559   7.492   3.507
   70    H    ILE   8           HN       ILE   8  -4.378   5.624   3.493
   71    HA   ILE   8           HA       ILE   8  -5.816   3.081   2.815
   72    HB   ILE   8           HB       ILE   8  -5.703   4.540   5.475
   73   1HG1  ILE   8          HG12      ILE   8  -4.562   1.828   4.736
   74   2HG1  ILE   8          HG11      ILE   8  -3.601   3.307   4.759
   75   1HG2  ILE   8          HG21      ILE   8  -7.081   2.828   6.342
   76   2HG2  ILE   8          HG22      ILE   8  -6.816   1.787   4.944
   77   3HG2  ILE   8          HG23      ILE   8  -7.827   3.224   4.794
   78   1HD1  ILE   8          HD11      ILE   8  -4.551   3.596   7.174
   79   2HD1  ILE   8          HD12      ILE   8  -3.245   2.441   6.909
   80   3HD1  ILE   8          HD13      ILE   8  -4.908   1.873   7.059
   81    H    ASN   9           HN       ASN   9  -6.728   4.697   1.128
   82    HA   ASN   9           HA       ASN   9  -8.735   6.572   2.285
   83   1HB   ASN   9          HB2       ASN   9  -7.396   6.124  -0.361
   84   2HB   ASN   9          HB1       ASN   9  -8.946   6.959  -0.337
   85   1HD2  ASN   9          HD21      ASN   9  -5.874   7.793  -0.611
   86   2HD2  ASN   9          HD22      ASN   9  -5.799   9.175   0.371
   87    H    GLY  10           HN       GLY  10  -9.350   3.957   2.829
   88   1HA   GLY  10          HA2       GLY  10 -11.373   3.155   0.784
   89   2HA   GLY  10          HA1       GLY  10 -10.677   2.070   1.992
   90    H    LYS  11           HN       LYS  11 -13.438   2.260   1.728
   91    HA   LYS  11           HA       LYS  11 -14.518   4.134   3.710
   92   1HB   LYS  11          HB2       LYS  11 -15.615   3.238   1.579
   93   2HB   LYS  11          HB1       LYS  11 -15.833   1.720   2.448
   94   1HG   LYS  11          HG2       LYS  11 -17.752   2.585   3.266
   95   2HG   LYS  11          HG1       LYS  11 -16.753   3.658   4.244
   96   1HD   LYS  11          HD2       LYS  11 -17.315   4.413   1.397
   97   2HD   LYS  11          HD1       LYS  11 -18.577   4.654   2.605
   98   1HE   LYS  11          HE2       LYS  11 -15.870   5.579   3.404
   99   2HE   LYS  11          HE1       LYS  11 -16.655   6.508   2.112
  100   1HZ   LYS  11          HZ1       LYS  11 -17.870   5.779   4.726
  101   2HZ   LYS  11          HZ2       LYS  11 -18.668   6.600   3.471
  102   3HZ   LYS  11          HZ3       LYS  11 -17.357   7.329   4.268
  103    H    THR  12           HN       THR  12 -12.710   1.363   4.094
  104    HA   THR  12           HA       THR  12 -14.255   0.452   6.490
  105    HB   THR  12           HB       THR  12 -12.026  -0.986   5.036
  106    HG1  THR  12           HG1      THR  12 -13.430  -1.662   3.590
  107   1HG2  THR  12          HG21      THR  12 -13.197  -1.573   7.391
  108   2HG2  THR  12          HG22      THR  12 -12.635  -2.815   6.273
  109   3HG2  THR  12          HG23      THR  12 -14.339  -2.359   6.300
  110    H    LEU  13           HN       LEU  13 -11.142   1.642   5.317
  111    HA   LEU  13           HA       LEU  13 -10.245   1.890   8.170
  112   1HB   LEU  13          HB2       LEU  13  -8.788   0.789   5.757
  113   2HB   LEU  13          HB1       LEU  13  -7.948   1.275   7.229
  114    HG   LEU  13           HG       LEU  13 -10.218  -0.729   7.158
  115   1HD1  LEU  13          HD11      LEU  13  -8.073  -2.197   7.829
  116   2HD1  LEU  13          HD12      LEU  13  -7.268  -0.998   6.816
  117   3HD1  LEU  13          HD13      LEU  13  -8.571  -1.982   6.150
  118   1HD2  LEU  13          HD21      LEU  13  -8.404   0.402   9.272
  119   2HD2  LEU  13          HD22      LEU  13  -9.009  -1.247   9.442
  120   3HD2  LEU  13          HD23      LEU  13 -10.141   0.102   9.341
  121    H    LYS  14           HN       LYS  14  -8.438   3.516   8.371
  122    HA   LYS  14           HA       LYS  14  -8.175   5.476   6.169
  123   1HB   LYS  14          HB2       LYS  14 -10.202   5.692   8.085
  124   2HB   LYS  14          HB1       LYS  14  -8.948   6.781   8.677
  125   1HG   LYS  14          HG2       LYS  14  -9.078   8.164   6.823
  126   2HG   LYS  14          HG1       LYS  14  -9.648   6.871   5.768
  127   1HD   LYS  14          HD2       LYS  14 -11.829   6.886   6.937
  128   2HD   LYS  14          HD1       LYS  14 -11.262   8.206   7.960
  129   1HE   LYS  14          HE2       LYS  14 -11.474   9.767   6.287
  130   2HE   LYS  14          HE1       LYS  14 -10.995   8.618   5.021
  131   1HZ   LYS  14          HZ1       LYS  14 -13.544   8.416   6.525
  132   2HZ   LYS  14          HZ2       LYS  14 -13.089   7.547   5.137
  133   3HZ   LYS  14          HZ3       LYS  14 -13.416   9.212   5.033
  134    H    GLY  15           HN       GLY  15  -6.119   6.336   6.242
  135   1HA   GLY  15          HA2       GLY  15  -4.524   7.462   7.967
  136   2HA   GLY  15          HA1       GLY  15  -4.520   5.864   8.712
  137    H    GLU  16           HN       GLU  16  -2.581   4.937   8.253
  138    HA   GLU  16           HA       GLU  16  -1.829   4.498   5.440
  139   1HB   GLU  16          HB2       GLU  16   0.372   5.618   5.736
  140   2HB   GLU  16          HB1       GLU  16  -0.965   6.751   5.921
  141   1HG   GLU  16          HG2       GLU  16  -0.769   6.114   8.474
  142   2HG   GLU  16          HG1       GLU  16   0.862   5.622   8.019
  143    H    THR  17           HN       THR  17  -0.232   2.829   5.233
  144    HA   THR  17           HA       THR  17   0.457   1.391   7.778
  145    HB   THR  17           HB       THR  17  -0.171   0.175   5.073
  146    HG1  THR  17           HG1      THR  17  -2.221  -0.200   5.922
  147   1HG2  THR  17          HG21      THR  17   1.161  -1.048   6.947
  148   2HG2  THR  17          HG22      THR  17  -0.192  -1.888   6.189
  149   3HG2  THR  17          HG23      THR  17  -0.396  -1.137   7.771
  150    H    THR  18           HN       THR  18   2.510   0.256   7.719
  151    HA   THR  18           HA       THR  18   4.292   0.878   5.398
  152    HB   THR  18           HB       THR  18   6.023   1.433   7.243
  153    HG1  THR  18           HG1      THR  18   5.172   1.967   9.203
  154   1HG2  THR  18          HG21      THR  18   3.684   3.336   7.072
  155   2HG2  THR  18          HG22      THR  18   4.764   3.053   5.707
  156   3HG2  THR  18          HG23      THR  18   5.398   3.727   7.208
  157    H    THR  19           HN       THR  19   6.015  -0.640   5.144
  158    HA   THR  19           HA       THR  19   6.270  -2.875   7.068
  159    HB   THR  19           HB       THR  19   4.364  -3.475   5.626
  160    HG1  THR  19           HG1      THR  19   6.691  -4.893   4.853
  161   1HG2  THR  19          HG21      THR  19   5.501  -2.026   3.681
  162   2HG2  THR  19          HG22      THR  19   4.370  -3.332   3.328
  163   3HG2  THR  19          HG23      THR  19   6.106  -3.614   3.209
  164    H    GLU  20           HN       GLU  20   8.270  -3.967   6.831
  165    HA   GLU  20           HA       GLU  20  10.328  -2.533   5.289
  166   1HB   GLU  20          HB2       GLU  20  10.122  -4.562   7.455
  167   2HB   GLU  20          HB1       GLU  20  11.584  -4.622   6.470
  168   1HG   GLU  20          HG2       GLU  20  12.085  -3.131   8.264
  169   2HG   GLU  20          HG1       GLU  20  11.780  -2.101   6.864
  170    H    ALA  21           HN       ALA  21  10.521  -3.057   3.141
  171    HA   ALA  21           HA       ALA  21  10.501  -5.963   2.394
  172   1HB   ALA  21          HB1       ALA  21   9.157  -3.565   1.129
  173   2HB   ALA  21          HB2       ALA  21   8.415  -5.077   1.652
  174   3HB   ALA  21          HB3       ALA  21   9.445  -5.049   0.220
  175    H    VAL  22           HN       VAL  22  11.294  -5.824  -0.182
  176    HA   VAL  22           HA       VAL  22  13.941  -4.430  -0.043
  177    HB   VAL  22           HB       VAL  22  13.967  -6.894  -0.127
  178   1HG1  VAL  22          HG11      VAL  22  12.310  -6.458  -2.621
  179   2HG1  VAL  22          HG12      VAL  22  11.895  -7.417  -1.201
  180   3HG1  VAL  22          HG13      VAL  22  13.161  -7.967  -2.298
  181   1HG2  VAL  22          HG21      VAL  22  14.878  -5.419  -2.605
  182   2HG2  VAL  22          HG22      VAL  22  15.258  -7.120  -2.337
  183   3HG2  VAL  22          HG23      VAL  22  15.841  -5.898  -1.207
  184    H    ASP  23           HN       ASP  23  11.004  -4.827  -1.932
  185    HA   ASP  23           HA       ASP  23  11.532  -2.421  -3.476
  186   1HB   ASP  23          HB2       ASP  23  12.892  -4.562  -4.377
  187   2HB   ASP  23          HB1       ASP  23  11.362  -4.842  -5.208
  188    H    ALA  24           HN       ALA  24   9.771  -2.249  -5.271
  189    HA   ALA  24           HA       ALA  24   7.192  -2.525  -4.148
  190   1HB   ALA  24          HB1       ALA  24   8.034  -2.312  -7.054
  191   2HB   ALA  24          HB2       ALA  24   7.872  -0.953  -5.942
  192   3HB   ALA  24          HB3       ALA  24   6.449  -1.884  -6.410
  193    H    ALA  25           HN       ALA  25   9.101  -4.768  -6.051
  194    HA   ALA  25           HA       ALA  25   7.071  -6.493  -7.050
  195   1HB   ALA  25          HB1       ALA  25   9.136  -8.171  -6.600
  196   2HB   ALA  25          HB2       ALA  25   9.968  -6.634  -6.369
  197   3HB   ALA  25          HB3       ALA  25   9.158  -6.977  -7.897
  198    H    THR  26           HN       THR  26   8.392  -6.148  -3.810
  199    HA   THR  26           HA       THR  26   6.853  -8.556  -2.909
  200    HB   THR  26           HB       THR  26   8.956  -7.005  -1.387
  201    HG1  THR  26           HG1      THR  26  10.122  -7.598  -3.073
  202   1HG2  THR  26          HG21      THR  26   7.837  -8.543   0.021
  203   2HG2  THR  26          HG22      THR  26   9.299  -9.393  -0.479
  204   3HG2  THR  26          HG23      THR  26   7.756  -9.769  -1.245
  205    H    ALA  27           HN       ALA  27   7.329  -5.090  -2.392
  206    HA   ALA  27           HA       ALA  27   5.809  -4.733  -0.012
  207   1HB   ALA  27          HB1       ALA  27   7.280  -3.164  -1.581
  208   2HB   ALA  27          HB2       ALA  27   6.033  -2.481  -0.538
  209   3HB   ALA  27          HB3       ALA  27   5.704  -2.745  -2.249
  210    H    GLU  28           HN       GLU  28   4.727  -4.403  -3.418
  211    HA   GLU  28           HA       GLU  28   1.964  -3.937  -2.886
  212   1HB   GLU  28          HB2       GLU  28   3.491  -3.884  -5.054
  213   2HB   GLU  28          HB1       GLU  28   2.895  -5.533  -5.254
  214   1HG   GLU  28          HG2       GLU  28   0.548  -4.581  -4.927
  215   2HG   GLU  28          HG1       GLU  28   1.276  -2.984  -5.106
  216    H    LYS  29           HN       LYS  29   3.718  -7.014  -3.419
  217    HA   LYS  29           HA       LYS  29   1.494  -8.783  -3.372
  218   1HB   LYS  29          HB2       LYS  29   4.383  -9.013  -2.506
  219   2HB   LYS  29          HB1       LYS  29   3.292 -10.399  -2.515
  220   1HG   LYS  29          HG2       LYS  29   2.778  -9.801  -4.948
  221   2HG   LYS  29          HG1       LYS  29   4.162  -8.711  -4.867
  222   1HD   LYS  29          HD2       LYS  29   5.209 -10.632  -5.628
  223   2HD   LYS  29          HD1       LYS  29   5.370 -10.863  -3.887
  224   1HE   LYS  29          HE2       LYS  29   4.389 -12.892  -4.308
  225   2HE   LYS  29          HE1       LYS  29   2.883 -11.954  -4.365
  226   1HZ   LYS  29          HZ1       LYS  29   3.132 -13.186  -6.409
  227   2HZ   LYS  29          HZ2       LYS  29   4.684 -12.540  -6.657
  228   3HZ   LYS  29          HZ3       LYS  29   3.318 -11.531  -6.731
  229    H    VAL  30           HN       VAL  30   3.295  -7.282  -0.716
  230    HA   VAL  30           HA       VAL  30   1.845  -8.794   1.355
  231    HB   VAL  30           HB       VAL  30   3.830  -6.492   1.369
  232   1HG1  VAL  30          HG11      VAL  30   4.112  -7.258   3.816
  233   2HG1  VAL  30          HG12      VAL  30   2.546  -8.046   3.621
  234   3HG1  VAL  30          HG13      VAL  30   2.681  -6.296   3.439
  235   1HG2  VAL  30          HG21      VAL  30   5.324  -8.357   2.264
  236   2HG2  VAL  30          HG22      VAL  30   4.862  -8.501   0.568
  237   3HG2  VAL  30          HG23      VAL  30   4.052  -9.482   1.789
  238    H    PHE  31           HN       PHE  31   2.035  -5.383   0.267
  239    HA   PHE  31           HA       PHE  31  -0.005  -4.393   2.031
  240   1HB   PHE  31          HB2       PHE  31   1.427  -3.517  -0.441
  241   2HB   PHE  31          HB1       PHE  31  -0.041  -2.643  -0.009
  242    HD1  PHE  31           HD1      PHE  31   3.282  -2.251   0.190
  243    HD2  PHE  31           HD2      PHE  31  -0.052  -2.551   2.881
  244    HE1  PHE  31           HE1      PHE  31   4.541  -0.972   1.899
  245    HE2  PHE  31           HE2      PHE  31   1.209  -1.271   4.587
  246    HZ   PHE  31           HZ       PHE  31   3.507  -0.481   4.097
  247    H    LYS  32           HN       LYS  32  -0.123  -5.762  -1.248
  248    HA   LYS  32           HA       LYS  32  -2.861  -5.124  -1.822
  249   1HB   LYS  32          HB2       LYS  32  -1.124  -5.906  -3.445
  250   2HB   LYS  32          HB1       LYS  32  -1.188  -7.504  -2.701
  251   1HG   LYS  32          HG2       LYS  32  -3.475  -7.813  -3.358
  252   2HG   LYS  32          HG1       LYS  32  -3.624  -6.126  -3.853
  253   1HD   LYS  32          HD2       LYS  32  -1.607  -7.978  -5.128
  254   2HD   LYS  32          HD1       LYS  32  -3.263  -7.859  -5.724
  255   1HE   LYS  32          HE2       LYS  32  -2.974  -5.417  -6.046
  256   2HE   LYS  32          HE1       LYS  32  -1.297  -5.553  -5.480
  257   1HZ   LYS  32          HZ1       LYS  32  -0.925  -7.236  -7.212
  258   2HZ   LYS  32          HZ2       LYS  32  -1.344  -5.727  -7.871
  259   3HZ   LYS  32          HZ3       LYS  32  -2.495  -6.975  -7.799
  260    H    GLN  33           HN       GLN  33  -1.338  -8.032  -0.401
  261    HA   GLN  33           HA       GLN  33  -3.707  -9.556   0.024
  262   1HB   GLN  33          HB2       GLN  33  -1.341 -10.348   0.175
  263   2HB   GLN  33          HB1       GLN  33  -1.165  -9.435   1.674
  264   1HG   GLN  33          HG2       GLN  33  -1.665 -11.719   2.273
  265   2HG   GLN  33          HG1       GLN  33  -3.106 -10.757   2.606
  266   1HE2  GLN  33          HE21      GLN  33  -4.469 -12.701   2.316
  267   2HE2  GLN  33          HE22      GLN  33  -4.785 -13.307   0.762
  268    H    TYR  34           HN       TYR  34  -2.261  -6.951   1.822
  269    HA   TYR  34           HA       TYR  34  -3.830  -7.220   4.245
  270   1HB   TYR  34          HB2       TYR  34  -1.834  -6.011   4.466
  271   2HB   TYR  34          HB1       TYR  34  -2.038  -5.194   2.922
  272    HD1  TYR  34           HD1      TYR  34  -3.144  -5.293   6.454
  273    HD2  TYR  34           HD2      TYR  34  -3.219  -3.109   2.762
  274    HE1  TYR  34           HE1      TYR  34  -4.090  -3.325   7.639
  275    HE2  TYR  34           HE2      TYR  34  -4.162  -1.141   3.935
  276    HH   TYR  34           HH       TYR  34  -4.268  -0.226   6.194
  277    H    ALA  35           HN       ALA  35  -4.047  -4.999   1.443
  278    HA   ALA  35           HA       ALA  35  -6.530  -3.774   2.192
  279   1HB   ALA  35          HB1       ALA  35  -4.727  -3.968  -0.144
  280   2HB   ALA  35          HB2       ALA  35  -5.518  -2.548   0.547
  281   3HB   ALA  35          HB3       ALA  35  -6.408  -3.610  -0.545
  282    H    ASN  36           HN       ASN  36  -5.779  -6.626   0.197
  283    HA   ASN  36           HA       ASN  36  -8.335  -7.158  -0.867
  284   1HB   ASN  36          HB2       ASN  36  -5.923  -8.252  -1.103
  285   2HB   ASN  36          HB1       ASN  36  -6.574  -9.384   0.083
  286   1HD2  ASN  36          HD21      ASN  36  -7.816 -11.071  -0.758
  287   2HD2  ASN  36          HD22      ASN  36  -8.508 -11.087  -2.308
  288    H    ASP  37           HN       ASP  37  -6.912  -8.265   2.219
  289    HA   ASP  37           HA       ASP  37  -9.229  -9.760   3.084
  290   1HB   ASP  37          HB2       ASP  37  -6.646  -8.770   4.171
  291   2HB   ASP  37          HB1       ASP  37  -7.896  -9.118   5.367
  292    H    ASN  38           HN       ASN  38  -7.996  -6.516   3.976
  293    HA   ASN  38           HA       ASN  38 -10.153  -5.792   5.713
  294   1HB   ASN  38          HB2       ASN  38  -7.988  -4.433   4.161
  295   2HB   ASN  38          HB1       ASN  38  -9.277  -3.420   4.814
  296   1HD2  ASN  38          HD21      ASN  38  -6.294  -4.795   5.597
  297   2HD2  ASN  38          HD22      ASN  38  -6.410  -4.714   7.288
  298    H    GLY  39           HN       GLY  39  -9.655  -5.252   2.220
  299   1HA   GLY  39          HA2       GLY  39 -11.674  -5.455   0.761
  300   2HA   GLY  39          HA1       GLY  39 -12.563  -4.582   2.009
  301    H    ILE  40           HN       ILE  40  -9.371  -3.943   0.519
  302    HA   ILE  40           HA       ILE  40 -10.408  -1.229  -0.233
  303    HB   ILE  40           HB       ILE  40  -7.647  -2.143   0.641
  304   1HG1  ILE  40          HG12      ILE  40  -9.679  -0.338   1.992
  305   2HG1  ILE  40          HG11      ILE  40  -9.386  -2.020   2.429
  306   1HG2  ILE  40          HG21      ILE  40  -7.315   0.430   0.731
  307   2HG2  ILE  40          HG22      ILE  40  -8.714   0.510  -0.338
  308   3HG2  ILE  40          HG23      ILE  40  -7.253  -0.339  -0.858
  309   1HD1  ILE  40          HD11      ILE  40  -7.938  -1.054   3.922
  310   2HD1  ILE  40          HD12      ILE  40  -7.712   0.387   2.931
  311   3HD1  ILE  40          HD13      ILE  40  -6.851  -1.101   2.533
  312    H    ASP  41           HN       ASP  41 -11.023  -2.453  -2.288
  313    HA   ASP  41           HA       ASP  41  -8.719  -3.048  -4.086
  314   1HB   ASP  41          HB2       ASP  41 -10.874  -4.482  -3.686
  315   2HB   ASP  41          HB1       ASP  41 -11.659  -3.296  -4.728
  316    H    GLY  42           HN       GLY  42  -9.167  -0.328  -3.289
  317   1HA   GLY  42          HA2       GLY  42 -10.731   1.171  -5.150
  318   2HA   GLY  42          HA1       GLY  42  -9.416   1.809  -4.163
  319    H    GLU  43           HN       GLU  43  -8.282   2.970  -5.641
  320    HA   GLU  43           HA       GLU  43  -7.364   1.598  -8.101
  321   1HB   GLU  43          HB2       GLU  43  -7.852   4.487  -7.357
  322   2HB   GLU  43          HB1       GLU  43  -6.958   4.040  -8.810
  323   1HG   GLU  43          HG2       GLU  43  -8.828   3.018  -9.801
  324   2HG   GLU  43          HG1       GLU  43  -9.668   2.846  -8.258
  325    H    TRP  44           HN       TRP  44  -5.337   0.807  -7.745
  326    HA   TRP  44           HA       TRP  44  -3.611   1.946  -5.724
  327   1HB   TRP  44          HB2       TRP  44  -3.534  -0.359  -7.638
  328   2HB   TRP  44          HB1       TRP  44  -2.099   0.077  -6.701
  329    HD1  TRP  44           HD1      TRP  44  -5.844  -0.660  -6.105
  330    HE1  TRP  44           HE1      TRP  44  -6.080  -1.754  -3.778
  331    HE3  TRP  44           HE3      TRP  44  -0.985  -0.479  -4.546
  332    HZ2  TRP  44           HZ2      TRP  44  -4.425  -2.434  -1.552
  333    HZ3  TRP  44           HZ3      TRP  44  -0.343  -1.356  -2.319
  334    HH2  TRP  44           HH2      TRP  44  -2.057  -2.338  -0.821
  335    H    THR  45           HN       THR  45  -1.728   3.013  -5.988
  336    HA   THR  45           HA       THR  45  -0.564   3.524  -8.640
  337    HB   THR  45           HB       THR  45  -0.722   6.060  -8.019
  338    HG1  THR  45           HG1      THR  45  -2.371   6.577  -6.677
  339   1HG2  THR  45          HG21      THR  45  -2.583   6.271  -9.423
  340   2HG2  THR  45          HG22      THR  45  -3.363   4.833  -8.765
  341   3HG2  THR  45          HG23      THR  45  -1.974   4.669  -9.840
  342    H    TYR  46           HN       TYR  46   1.622   3.644  -8.336
  343    HA   TYR  46           HA       TYR  46   2.621   3.786  -5.533
  344   1HB   TYR  46          HB2       TYR  46   3.220   1.805  -6.733
  345   2HB   TYR  46          HB1       TYR  46   3.627   2.711  -8.184
  346    HD1  TYR  46           HD1      TYR  46   5.808   3.579  -8.527
  347    HD2  TYR  46           HD2      TYR  46   4.723   2.001  -4.682
  348    HE1  TYR  46           HE1      TYR  46   8.182   3.661  -7.819
  349    HE2  TYR  46           HE2      TYR  46   7.083   2.080  -3.979
  350    HH   TYR  46           HH       TYR  46   9.620   2.386  -6.081
  351    H    ASP  47           HN       ASP  47   3.710   5.587  -4.869
  352    HA   ASP  47           HA       ASP  47   4.432   7.673  -6.872
  353   1HB   ASP  47          HB2       ASP  47   3.051   7.766  -4.534
  354   2HB   ASP  47          HB1       ASP  47   4.676   8.116  -3.942
  355    H    ASP  48           HN       ASP  48   6.495   7.198  -7.627
  356    HA   ASP  48           HA       ASP  48   8.578   5.928  -6.123
  357   1HB   ASP  48          HB2       ASP  48   9.977   6.713  -8.025
  358   2HB   ASP  48          HB1       ASP  48   8.453   6.019  -8.577
  359    H    ALA  49           HN       ALA  49   7.480   9.244  -6.199
  360    HA   ALA  49           HA       ALA  49   9.763  10.712  -5.514
  361   1HB   ALA  49          HB1       ALA  49   7.599  11.706  -5.999
  362   2HB   ALA  49          HB2       ALA  49   8.090  12.213  -4.382
  363   3HB   ALA  49          HB3       ALA  49   6.888  10.937  -4.579
  364    H    THR  50           HN       THR  50   7.672   8.757  -3.404
  365    HA   THR  50           HA       THR  50   9.824   8.732  -1.349
  366    HB   THR  50           HB       THR  50   8.139   9.370   0.377
  367    HG1  THR  50           HG1      THR  50   6.515   9.878  -1.892
  368   1HG2  THR  50          HG21      THR  50   8.211  11.406  -1.859
  369   2HG2  THR  50          HG22      THR  50   9.607  11.050  -0.841
  370   3HG2  THR  50          HG23      THR  50   8.138  11.713  -0.123
  371    H    LYS  51           HN       LYS  51   8.268   6.813  -3.264
  372    HA   LYS  51           HA       LYS  51   7.399   4.620  -3.187
  373   1HB   LYS  51          HB2       LYS  51   9.551   5.000  -1.273
  374   2HB   LYS  51          HB1       LYS  51   8.447   3.745  -0.711
  375   1HG   LYS  51          HG2       LYS  51   9.742   2.430  -2.068
  376   2HG   LYS  51          HG1       LYS  51   8.630   3.028  -3.300
  377   1HD   LYS  51          HD2       LYS  51  10.193   4.442  -4.224
  378   2HD   LYS  51          HD1       LYS  51  10.998   4.728  -2.681
  379   1HE   LYS  51          HE2       LYS  51  11.171   1.936  -3.664
  380   2HE   LYS  51          HE1       LYS  51  12.050   3.138  -4.632
  381   1HZ   LYS  51          HZ1       LYS  51  13.100   3.974  -2.663
  382   2HZ   LYS  51          HZ2       LYS  51  13.355   2.296  -2.724
  383   3HZ   LYS  51          HZ3       LYS  51  12.190   2.944  -1.670
  384    H    THR  52           HN       THR  52   5.147   5.152  -2.869
  385    HA   THR  52           HA       THR  52   4.118   4.335  -0.223
  386    HB   THR  52           HB       THR  52   3.598   7.060  -1.457
  387    HG1  THR  52           HG1      THR  52   5.440   7.342  -0.452
  388   1HG2  THR  52          HG21      THR  52   2.160   7.510   0.368
  389   2HG2  THR  52          HG22      THR  52   2.719   6.099   1.265
  390   3HG2  THR  52          HG23      THR  52   1.699   5.891  -0.159
  391    H    PHE  53           HN       PHE  53   2.862   2.670  -1.103
  392    HA   PHE  53           HA       PHE  53   1.428   2.749  -3.583
  393   1HB   PHE  53          HB2       PHE  53   1.061   1.217  -0.988
  394   2HB   PHE  53          HB1       PHE  53   0.143   0.859  -2.451
  395    HD1  PHE  53           HD1      PHE  53   1.264  -0.013  -4.465
  396    HD2  PHE  53           HD2      PHE  53   3.427   0.700  -0.823
  397    HE1  PHE  53           HE1      PHE  53   3.151  -1.375  -5.319
  398    HE2  PHE  53           HE2      PHE  53   5.315  -0.662  -1.675
  399    HZ   PHE  53           HZ       PHE  53   5.176  -1.701  -3.926
  400    H    THR  54           HN       THR  54  -0.518   3.766  -4.085
  401    HA   THR  54           HA       THR  54  -2.041   4.935  -1.769
  402    HB   THR  54           HB       THR  54  -1.629   6.012  -4.569
  403    HG1  THR  54           HG1      THR  54  -0.170   7.372  -3.592
  404   1HG2  THR  54          HG21      THR  54  -2.985   7.760  -4.022
  405   2HG2  THR  54          HG22      THR  54  -2.461   7.768  -2.338
  406   3HG2  THR  54          HG23      THR  54  -3.677   6.611  -2.878
  407    H    VAL  55           HN       VAL  55  -3.765   3.403  -1.625
  408    HA   VAL  55           HA       VAL  55  -5.368   2.958  -4.071
  409    HB   VAL  55           HB       VAL  55  -4.616   0.961  -2.749
  410   1HG1  VAL  55          HG11      VAL  55  -5.488   0.521  -0.566
  411   2HG1  VAL  55          HG12      VAL  55  -6.548   1.937  -0.660
  412   3HG1  VAL  55          HG13      VAL  55  -4.802   2.150  -0.514
  413   1HG2  VAL  55          HG21      VAL  55  -6.732  -0.167  -2.797
  414   2HG2  VAL  55          HG22      VAL  55  -6.735   1.008  -4.111
  415   3HG2  VAL  55          HG23      VAL  55  -7.603   1.354  -2.616
  416    H    THR  56           HN       THR  56  -7.796   3.025  -3.671
  417    HA   THR  56           HA       THR  56  -8.768   4.693  -1.459
  418    HB   THR  56           HB       THR  56  -8.643   5.626  -4.341
  419    HG1  THR  56           HG1      THR  56  -7.281   7.196  -3.490
  420   1HG2  THR  56          HG21      THR  56 -10.171   7.238  -3.880
  421   2HG2  THR  56          HG22      THR  56  -9.475   7.558  -2.293
  422   3HG2  THR  56          HG23      THR  56 -10.621   6.235  -2.501
  423    H    GLU  57           HN       GLU  57 -10.546   3.399  -1.009
  424    HA   GLU  57           HA       GLU  57 -12.049   2.024  -3.119
  425   1HB   GLU  57          HB2       GLU  57 -11.503   1.356  -0.645
  426   2HB   GLU  57          HB1       GLU  57 -12.899   2.358  -0.249
  427   1HG   GLU  57          HG2       GLU  57 -13.188   0.353  -2.449
  428   2HG   GLU  57          HG1       GLU  57 -13.182  -0.235  -0.786
  Start of MODEL   10
    1   1H    MET   1          HT1       MET   1 -17.080   1.453   4.683
    2   2H    MET   1          HT2       MET   1 -17.497   1.343   3.039
    3   3H    MET   1          HT3       MET   1 -17.828   2.765   3.909
    4    HA   MET   1           HA       MET   1 -15.911   3.224   2.601
    5   1HB   MET   1          HB2       MET   1 -15.581   2.657   5.541
    6   2HB   MET   1          HB1       MET   1 -14.240   3.333   4.616
    7   1HG   MET   1          HG2       MET   1 -17.003   4.552   4.535
    8   2HG   MET   1          HG1       MET   1 -15.815   5.016   5.754
    9   1HE   MET   1          HE1       MET   1 -16.137   7.814   2.909
   10   2HE   MET   1          HE2       MET   1 -16.273   7.551   4.645
   11   3HE   MET   1          HE3       MET   1 -17.348   6.693   3.545
   12    H    THR   2           HN       THR   2 -14.560   2.157   1.226
   13    HA   THR   2           HA       THR   2 -13.909  -0.621   1.394
   14    HB   THR   2           HB       THR   2 -12.531   1.669  -0.054
   15    HG1  THR   2           HG1      THR   2 -13.976   1.245  -1.658
   16   1HG2  THR   2          HG21      THR   2 -11.125  -0.304  -0.096
   17   2HG2  THR   2          HG22      THR   2 -11.903  -0.144  -1.673
   18   3HG2  THR   2          HG23      THR   2 -12.504  -1.326  -0.509
   19    H    THR   3           HN       THR   3 -11.744  -1.561   1.775
   20    HA   THR   3           HA       THR   3  -9.938   0.058   3.459
   21    HB   THR   3           HB       THR   3 -10.969  -2.709   4.120
   22    HG1  THR   3           HG1      THR   3 -12.625  -1.682   4.855
   23   1HG2  THR   3          HG21      THR   3  -9.753  -0.888   6.136
   24   2HG2  THR   3          HG22      THR   3  -8.661  -1.620   4.961
   25   3HG2  THR   3          HG23      THR   3  -9.652  -2.644   5.999
   26    H    PHE   4           HN       PHE   4  -8.106  -0.006   2.179
   27    HA   PHE   4           HA       PHE   4  -7.355  -2.535   0.803
   28   1HB   PHE   4          HB2       PHE   4  -6.317   0.315   0.752
   29   2HB   PHE   4          HB1       PHE   4  -5.654  -0.985  -0.235
   30    HD1  PHE   4           HD1      PHE   4  -7.051  -2.056  -1.994
   31    HD2  PHE   4           HD2      PHE   4  -8.424   1.336   0.253
   32    HE1  PHE   4           HE1      PHE   4  -8.825  -1.656  -3.681
   33    HE2  PHE   4           HE2      PHE   4 -10.198   1.736  -1.430
   34    HZ   PHE   4           HZ       PHE   4 -10.398   0.242  -3.397
   35    H    LYS   5           HN       LYS   5  -4.929  -3.077   0.929
   36    HA   LYS   5           HA       LYS   5  -3.744  -2.426   3.601
   37   1HB   LYS   5          HB2       LYS   5  -5.113  -4.572   3.540
   38   2HB   LYS   5          HB1       LYS   5  -3.921  -5.203   2.403
   39   1HG   LYS   5          HG2       LYS   5  -2.134  -4.841   4.058
   40   2HG   LYS   5          HG1       LYS   5  -3.315  -4.191   5.197
   41   1HD   LYS   5          HD2       LYS   5  -3.682  -6.932   4.001
   42   2HD   LYS   5          HD1       LYS   5  -2.658  -6.696   5.418
   43   1HE   LYS   5          HE2       LYS   5  -4.492  -5.823   6.709
   44   2HE   LYS   5          HE1       LYS   5  -5.527  -5.716   5.270
   45   1HZ   LYS   5          HZ1       LYS   5  -4.408  -8.187   6.481
   46   2HZ   LYS   5          HZ2       LYS   5  -5.209  -8.140   4.984
   47   3HZ   LYS   5          HZ3       LYS   5  -6.043  -7.742   6.410
   48    H    LEU   6           HN       LEU   6  -1.715  -1.643   3.186
   49    HA   LEU   6           HA       LEU   6  -0.303  -2.475   0.698
   50   1HB   LEU   6          HB2       LEU   6  -0.577  -0.085   1.140
   51   2HB   LEU   6          HB1       LEU   6   0.134  -0.270   2.742
   52    HG   LEU   6           HG       LEU   6   2.249  -1.079   1.624
   53   1HD1  LEU   6          HD11      LEU   6   0.644  -0.309  -0.815
   54   2HD1  LEU   6          HD12      LEU   6   1.507  -1.816  -0.504
   55   3HD1  LEU   6          HD13      LEU   6   2.408  -0.337  -0.837
   56   1HD2  LEU   6          HD21      LEU   6   2.654   1.322   0.541
   57   2HD2  LEU   6          HD22      LEU   6   2.482   1.128   2.287
   58   3HD2  LEU   6          HD23      LEU   6   1.110   1.671   1.318
   59    H    ILE   7           HN       ILE   7   1.221  -4.070   0.877
   60    HA   ILE   7           HA       ILE   7   2.144  -5.069   3.441
   61    HB   ILE   7           HB       ILE   7   1.853  -6.146   1.017
   62   1HG1  ILE   7          HG12      ILE   7   3.554  -7.896   1.682
   63   2HG1  ILE   7          HG11      ILE   7   4.019  -6.837   3.011
   64   1HG2  ILE   7          HG21      ILE   7   3.766  -4.544   0.195
   65   2HG2  ILE   7          HG22      ILE   7   3.718  -6.211  -0.374
   66   3HG2  ILE   7          HG23      ILE   7   4.827  -5.753   0.917
   67   1HD1  ILE   7          HD11      ILE   7   2.243  -8.644   3.508
   68   2HD1  ILE   7          HD12      ILE   7   1.142  -7.632   2.572
   69   3HD1  ILE   7          HD13      ILE   7   1.892  -6.998   4.037
   70    H    ILE   8           HN       ILE   8   4.678  -5.158   3.815
   71    HA   ILE   8           HA       ILE   8   5.891  -2.543   2.989
   72    HB   ILE   8           HB       ILE   8   5.891  -3.842   5.739
   73   1HG1  ILE   8          HG12      ILE   8   4.569  -1.272   4.813
   74   2HG1  ILE   8          HG11      ILE   8   3.714  -2.804   4.994
   75   1HG2  ILE   8          HG21      ILE   8   7.943  -2.630   5.455
   76   2HG2  ILE   8          HG22      ILE   8   6.871  -1.583   6.385
   77   3HG2  ILE   8          HG23      ILE   8   7.116  -1.290   4.663
   78   1HD1  ILE   8          HD11      ILE   8   3.331  -1.928   7.093
   79   2HD1  ILE   8          HD12      ILE   8   4.827  -0.995   7.091
   80   3HD1  ILE   8          HD13      ILE   8   4.870  -2.730   7.403
   81    H    ASN   9           HN       ASN   9   6.884  -4.222   1.405
   82    HA   ASN   9           HA       ASN   9   9.044  -5.852   2.647
   83   1HB   ASN   9          HB2       ASN   9   7.410  -5.858   0.210
   84   2HB   ASN   9          HB1       ASN   9   9.120  -6.120  -0.134
   85   1HD2  ASN   9          HD21      ASN   9   6.874  -8.118  -0.247
   86   2HD2  ASN   9          HD22      ASN   9   7.323  -9.363   0.815
   87    H    GLY  10           HN       GLY  10   9.414  -3.129   2.962
   88   1HA   GLY  10          HA2       GLY  10  11.335  -2.321   0.837
   89   2HA   GLY  10          HA1       GLY  10  10.603  -1.227   2.011
   90    H    LYS  11           HN       LYS  11  13.410  -1.425   1.523
   91    HA   LYS  11           HA       LYS  11  14.705  -3.022   3.578
   92   1HB   LYS  11          HB2       LYS  11  15.705  -2.201   1.424
   93   2HB   LYS  11          HB1       LYS  11  15.668  -0.565   2.080
   94   1HG   LYS  11          HG2       LYS  11  17.088  -1.316   3.976
   95   2HG   LYS  11          HG1       LYS  11  17.171  -2.923   3.254
   96   1HD   LYS  11          HD2       LYS  11  18.555  -2.237   1.542
   97   2HD   LYS  11          HD1       LYS  11  17.899  -0.600   1.528
   98   1HE   LYS  11          HE2       LYS  11  19.330  -1.391   4.014
   99   2HE   LYS  11          HE1       LYS  11  20.333  -1.168   2.566
  100   1HZ   LYS  11          HZ1       LYS  11  19.427   0.975   2.212
  101   2HZ   LYS  11          HZ2       LYS  11  19.867   0.917   3.852
  102   3HZ   LYS  11          HZ3       LYS  11  18.237   0.758   3.400
  103    H    THR  12           HN       THR  12  12.838  -0.162   3.752
  104    HA   THR  12           HA       THR  12  14.326   0.939   6.077
  105    HB   THR  12           HB       THR  12  11.856   1.881   4.582
  106    HG1  THR  12           HG1      THR  12  13.244   3.103   3.415
  107   1HG2  THR  12          HG21      THR  12  12.003   2.838   6.821
  108   2HG2  THR  12          HG22      THR  12  12.424   4.069   5.630
  109   3HG2  THR  12          HG23      THR  12  13.693   3.266   6.555
  110    H    LEU  13           HN       LEU  13  11.274  -0.670   5.247
  111    HA   LEU  13           HA       LEU  13  10.741  -1.000   8.179
  112   1HB   LEU  13          HB2       LEU  13   8.928  -0.023   5.965
  113   2HB   LEU  13          HB1       LEU  13   8.287  -0.650   7.485
  114    HG   LEU  13           HG       LEU  13  10.366   1.543   7.394
  115   1HD1  LEU  13          HD11      LEU  13   7.465   2.100   7.897
  116   2HD1  LEU  13          HD12      LEU  13   8.022   1.960   6.229
  117   3HD1  LEU  13          HD13      LEU  13   8.723   3.179   7.293
  118   1HD2  LEU  13          HD21      LEU  13   8.350   1.257   9.563
  119   2HD2  LEU  13          HD22      LEU  13  10.061   1.671   9.665
  120   3HD2  LEU  13          HD23      LEU  13   9.571  -0.011   9.466
  121    H    LYS  14           HN       LYS  14   8.928  -2.727   8.448
  122    HA   LYS  14           HA       LYS  14   8.844  -4.769   6.303
  123   1HB   LYS  14          HB2       LYS  14  10.529  -4.829   8.729
  124   2HB   LYS  14          HB1       LYS  14   9.589  -6.297   8.462
  125   1HG   LYS  14          HG2       LYS  14  10.450  -6.216   6.043
  126   2HG   LYS  14          HG1       LYS  14  11.614  -5.021   6.619
  127   1HD   LYS  14          HD2       LYS  14  11.331  -7.562   8.169
  128   2HD   LYS  14          HD1       LYS  14  12.195  -7.621   6.632
  129   1HE   LYS  14          HE2       LYS  14  13.990  -6.495   7.476
  130   2HE   LYS  14          HE1       LYS  14  12.962  -5.336   8.342
  131   1HZ   LYS  14          HZ1       LYS  14  14.199  -6.892   9.822
  132   2HZ   LYS  14          HZ2       LYS  14  13.301  -8.171   9.158
  133   3HZ   LYS  14          HZ3       LYS  14  12.516  -6.939  10.025
  134    H    GLY  15           HN       GLY  15   6.803  -5.646   6.325
  135   1HA   GLY  15          HA2       GLY  15   5.234  -6.887   7.985
  136   2HA   GLY  15          HA1       GLY  15   5.171  -5.325   8.800
  137    H    GLU  16           HN       GLU  16   3.005  -4.836   8.413
  138    HA   GLU  16           HA       GLU  16   2.331  -4.120   5.607
  139   1HB   GLU  16          HB2       GLU  16   0.191  -5.379   5.808
  140   2HB   GLU  16          HB1       GLU  16   1.590  -6.444   5.931
  141   1HG   GLU  16          HG2       GLU  16   1.417  -6.345   8.412
  142   2HG   GLU  16          HG1       GLU  16  -0.032  -5.351   8.251
  143    H    THR  17           HN       THR  17  -0.083  -3.144   5.741
  144    HA   THR  17           HA       THR  17  -0.724  -1.788   8.261
  145    HB   THR  17           HB       THR  17   1.193  -0.485   7.444
  146    HG1  THR  17           HG1      THR  17  -0.349   0.759   8.394
  147   1HG2  THR  17          HG21      THR  17   0.850   0.778   5.240
  148   2HG2  THR  17          HG22      THR  17  -0.437  -0.380   4.902
  149   3HG2  THR  17          HG23      THR  17   1.222  -0.941   5.108
  150    H    THR  18           HN       THR  18  -2.719  -0.499   8.042
  151    HA   THR  18           HA       THR  18  -4.250  -1.012   5.517
  152    HB   THR  18           HB       THR  18  -6.190  -1.523   7.077
  153    HG1  THR  18           HG1      THR  18  -5.579  -0.737   8.992
  154   1HG2  THR  18          HG21      THR  18  -5.260  -3.797   7.721
  155   2HG2  THR  18          HG22      THR  18  -3.703  -3.245   7.104
  156   3HG2  THR  18          HG23      THR  18  -5.087  -3.371   6.019
  157    H    THR  19           HN       THR  19  -5.996   0.536   5.172
  158    HA   THR  19           HA       THR  19  -6.002   2.939   6.942
  159    HB   THR  19           HB       THR  19  -4.337   3.307   5.169
  160    HG1  THR  19           HG1      THR  19  -5.080   5.246   4.740
  161   1HG2  THR  19          HG21      THR  19  -4.841   3.124   2.847
  162   2HG2  THR  19          HG22      THR  19  -6.570   2.971   3.160
  163   3HG2  THR  19          HG23      THR  19  -5.478   1.652   3.581
  164    H    GLU  20           HN       GLU  20  -7.718   4.553   5.676
  165    HA   GLU  20           HA       GLU  20 -10.143   2.872   5.111
  166   1HB   GLU  20          HB2       GLU  20  -9.661   5.345   6.770
  167   2HB   GLU  20          HB1       GLU  20 -11.277   4.974   6.168
  168   1HG   GLU  20          HG2       GLU  20  -9.578   3.045   7.774
  169   2HG   GLU  20          HG1       GLU  20 -10.843   4.063   8.464
  170    H    ALA  21           HN       ALA  21 -10.221   3.065   2.855
  171    HA   ALA  21           HA       ALA  21 -10.382   5.856   1.760
  172   1HB   ALA  21          HB1       ALA  21  -8.387   4.057   1.302
  173   2HB   ALA  21          HB2       ALA  21  -8.881   5.273   0.124
  174   3HB   ALA  21          HB3       ALA  21  -9.503   3.626   0.005
  175    H    VAL  22           HN       VAL  22 -11.609   5.828  -0.404
  176    HA   VAL  22           HA       VAL  22 -14.108   4.301  -0.053
  177    HB   VAL  22           HB       VAL  22 -14.107   6.712  -0.582
  178   1HG1  VAL  22          HG11      VAL  22 -12.137   7.065  -1.848
  179   2HG1  VAL  22          HG12      VAL  22 -13.444   7.302  -3.006
  180   3HG1  VAL  22          HG13      VAL  22 -12.543   5.790  -2.995
  181   1HG2  VAL  22          HG21      VAL  22 -15.892   6.598  -2.047
  182   2HG2  VAL  22          HG22      VAL  22 -15.773   4.896  -1.600
  183   3HG2  VAL  22          HG23      VAL  22 -15.075   5.460  -3.119
  184    H    ASP  23           HN       ASP  23 -11.258   4.288  -2.104
  185    HA   ASP  23           HA       ASP  23 -11.791   1.645  -3.135
  186   1HB   ASP  23          HB2       ASP  23 -13.420   3.346  -4.316
  187   2HB   ASP  23          HB1       ASP  23 -11.985   3.789  -5.240
  188    H    ALA  24           HN       ALA  24 -10.216   1.356  -5.201
  189    HA   ALA  24           HA       ALA  24  -7.559   1.739  -4.373
  190   1HB   ALA  24          HB1       ALA  24  -7.094   0.634  -6.335
  191   2HB   ALA  24          HB2       ALA  24  -8.140   1.687  -7.288
  192   3HB   ALA  24          HB3       ALA  24  -8.840   0.384  -6.327
  193    H    ALA  25           HN       ALA  25  -9.682   3.931  -6.099
  194    HA   ALA  25           HA       ALA  25  -7.778   5.675  -7.304
  195   1HB   ALA  25          HB1       ALA  25  -9.645   7.193  -7.434
  196   2HB   ALA  25          HB2       ALA  25 -10.427   6.439  -6.045
  197   3HB   ALA  25          HB3       ALA  25 -10.307   5.564  -7.571
  198    H    THR  26           HN       THR  26  -8.782   5.332  -3.958
  199    HA   THR  26           HA       THR  26  -7.191   7.767  -3.229
  200    HB   THR  26           HB       THR  26  -9.236   6.286  -1.559
  201    HG1  THR  26           HG1      THR  26  -9.655   8.510  -3.265
  202   1HG2  THR  26          HG21      THR  26  -8.671   9.223  -1.455
  203   2HG2  THR  26          HG22      THR  26  -7.514   8.114  -0.719
  204   3HG2  THR  26          HG23      THR  26  -9.188   8.137  -0.166
  205    H    ALA  27           HN       ALA  27  -7.550   4.306  -2.764
  206    HA   ALA  27           HA       ALA  27  -6.012   3.905  -0.405
  207   1HB   ALA  27          HB1       ALA  27  -6.155   1.678  -1.033
  208   2HB   ALA  27          HB2       ALA  27  -5.786   2.028  -2.722
  209   3HB   ALA  27          HB3       ALA  27  -7.398   2.353  -2.088
  210    H    GLU  28           HN       GLU  28  -4.873   3.594  -3.796
  211    HA   GLU  28           HA       GLU  28  -2.087   3.391  -3.195
  212   1HB   GLU  28          HB2       GLU  28  -3.335   2.891  -5.354
  213   2HB   GLU  28          HB1       GLU  28  -3.371   4.630  -5.649
  214   1HG   GLU  28          HG2       GLU  28  -0.846   4.619  -5.387
  215   2HG   GLU  28          HG1       GLU  28  -0.930   2.857  -5.402
  216    H    LYS  29           HN       LYS  29  -4.117   6.248  -3.899
  217    HA   LYS  29           HA       LYS  29  -2.088   8.229  -3.994
  218   1HB   LYS  29          HB2       LYS  29  -4.959   8.230  -3.033
  219   2HB   LYS  29          HB1       LYS  29  -4.012   9.708  -3.199
  220   1HG   LYS  29          HG2       LYS  29  -3.513   8.788  -5.608
  221   2HG   LYS  29          HG1       LYS  29  -4.966   7.827  -5.336
  222   1HD   LYS  29          HD2       LYS  29  -5.941   9.718  -6.229
  223   2HD   LYS  29          HD1       LYS  29  -5.923  10.186  -4.528
  224   1HE   LYS  29          HE2       LYS  29  -3.653  11.260  -4.954
  225   2HE   LYS  29          HE1       LYS  29  -3.954  11.005  -6.684
  226   1HZ   LYS  29          HZ1       LYS  29  -4.798  13.156  -6.034
  227   2HZ   LYS  29          HZ2       LYS  29  -5.720  12.461  -4.787
  228   3HZ   LYS  29          HZ3       LYS  29  -6.099  12.136  -6.411
  229    H    VAL  30           HN       VAL  30  -3.752   6.795  -1.199
  230    HA   VAL  30           HA       VAL  30  -2.364   8.516   0.736
  231    HB   VAL  30           HB       VAL  30  -4.118   6.045   0.979
  232   1HG1  VAL  30          HG11      VAL  30  -2.903   6.202   3.023
  233   2HG1  VAL  30          HG12      VAL  30  -4.451   6.987   3.343
  234   3HG1  VAL  30          HG13      VAL  30  -3.014   7.963   3.040
  235   1HG2  VAL  30          HG21      VAL  30  -4.887   8.891   1.607
  236   2HG2  VAL  30          HG22      VAL  30  -5.935   7.518   1.251
  237   3HG2  VAL  30          HG23      VAL  30  -5.002   8.273  -0.041
  238    H    PHE  31           HN       PHE  31  -2.300   5.036  -0.134
  239    HA   PHE  31           HA       PHE  31  -0.166   4.319   1.643
  240   1HB   PHE  31          HB2       PHE  31  -1.489   3.187  -0.800
  241   2HB   PHE  31          HB1       PHE  31   0.001   2.436  -0.229
  242    HD1  PHE  31           HD1      PHE  31  -3.321   1.906  -0.129
  243    HD2  PHE  31           HD2      PHE  31  -0.105   2.558   2.643
  244    HE1  PHE  31           HE1      PHE  31  -4.594   0.715   1.634
  245    HE2  PHE  31           HE2      PHE  31  -1.380   1.367   4.403
  246    HZ   PHE  31           HZ       PHE  31  -3.625   0.446   3.899
  247    H    LYS  32           HN       LYS  32  -0.187   5.621  -1.653
  248    HA   LYS  32           HA       LYS  32   2.582   5.145  -2.266
  249   1HB   LYS  32          HB2       LYS  32   0.812   5.771  -3.899
  250   2HB   LYS  32          HB1       LYS  32   0.705   7.366  -3.154
  251   1HG   LYS  32          HG2       LYS  32   3.324   7.375  -3.608
  252   2HG   LYS  32          HG1       LYS  32   2.879   6.207  -4.853
  253   1HD   LYS  32          HD2       LYS  32   1.173   7.843  -5.694
  254   2HD   LYS  32          HD1       LYS  32   1.795   9.020  -4.537
  255   1HE   LYS  32          HE2       LYS  32   4.124   8.269  -5.714
  256   2HE   LYS  32          HE1       LYS  32   3.003   8.059  -7.074
  257   1HZ   LYS  32          HZ1       LYS  32   3.666  10.332  -7.050
  258   2HZ   LYS  32          HZ2       LYS  32   3.350  10.478  -5.387
  259   3HZ   LYS  32          HZ3       LYS  32   2.069  10.275  -6.484
  260    H    GLN  33           HN       GLN  33   0.869   7.938  -0.841
  261    HA   GLN  33           HA       GLN  33   3.157   9.612  -0.447
  262   1HB   GLN  33          HB2       GLN  33   0.783  10.334  -0.350
  263   2HB   GLN  33          HB1       GLN  33   0.565   9.381   1.115
  264   1HG   GLN  33          HG2       GLN  33   0.948  11.733   1.697
  265   2HG   GLN  33          HG1       GLN  33   2.301  10.746   2.247
  266   1HE2  GLN  33          HE21      GLN  33   1.614  11.968  -1.075
  267   2HE2  GLN  33          HE22      GLN  33   3.062  12.840  -1.212
  268    H    TYR  34           HN       TYR  34   1.747   7.021   1.408
  269    HA   TYR  34           HA       TYR  34   3.248   7.358   3.849
  270   1HB   TYR  34          HB2       TYR  34   1.316   6.013   3.970
  271   2HB   TYR  34          HB1       TYR  34   1.676   5.187   2.459
  272    HD1  TYR  34           HD1      TYR  34   2.519   5.422   6.051
  273    HD2  TYR  34           HD2      TYR  34   3.088   3.235   2.404
  274    HE1  TYR  34           HE1      TYR  34   3.567   3.566   7.328
  275    HE2  TYR  34           HE2      TYR  34   4.136   1.380   3.670
  276    HH   TYR  34           HH       TYR  34   5.047   1.704   6.981
  277    H    ALA  35           HN       ALA  35   3.697   5.206   1.028
  278    HA   ALA  35           HA       ALA  35   6.253   4.159   1.852
  279   1HB   ALA  35          HB1       ALA  35   4.461   4.163  -0.505
  280   2HB   ALA  35          HB2       ALA  35   5.328   2.817   0.243
  281   3HB   ALA  35          HB3       ALA  35   6.166   3.899  -0.872
  282    H    ASN  36           HN       ASN  36   5.314   6.813  -0.342
  283    HA   ASN  36           HA       ASN  36   7.857   7.532  -1.324
  284   1HB   ASN  36          HB2       ASN  36   5.520   8.347  -1.965
  285   2HB   ASN  36          HB1       ASN  36   5.630   9.444  -0.588
  286   1HD2  ASN  36          HD21      ASN  36   5.835   9.710  -3.759
  287   2HD2  ASN  36          HD22      ASN  36   7.151  10.767  -3.939
  288    H    ASP  37           HN       ASP  37   6.260   8.395   1.719
  289    HA   ASP  37           HA       ASP  37   8.091  10.411   2.606
  290   1HB   ASP  37          HB2       ASP  37   5.781   9.733   3.489
  291   2HB   ASP  37          HB1       ASP  37   6.599   8.416   4.329
  292    H    ASN  38           HN       ASN  38   7.907   6.978   3.635
  293    HA   ASN  38           HA       ASN  38  10.469   6.992   4.963
  294   1HB   ASN  38          HB2       ASN  38   8.622   4.842   3.893
  295   2HB   ASN  38          HB1       ASN  38  10.083   4.468   4.808
  296   1HD2  ASN  38          HD21      ASN  38   6.768   5.282   5.118
  297   2HD2  ASN  38          HD22      ASN  38   6.768   5.617   6.782
  298    H    GLY  39           HN       GLY  39   9.420   5.739   1.777
  299   1HA   GLY  39          HA2       GLY  39  11.039   6.252  -0.111
  300   2HA   GLY  39          HA1       GLY  39  12.301   5.664   0.972
  301    H    ILE  40           HN       ILE  40   9.106   4.488  -0.171
  302    HA   ILE  40           HA       ILE  40  10.380   1.800  -0.565
  303    HB   ILE  40           HB       ILE  40   7.535   2.615   0.106
  304   1HG1  ILE  40          HG12      ILE  40   9.620   1.112   1.718
  305   2HG1  ILE  40          HG11      ILE  40   9.210   2.812   1.945
  306   1HG2  ILE  40          HG21      ILE  40   8.764   0.002  -0.691
  307   2HG2  ILE  40          HG22      ILE  40   7.164   0.643  -1.070
  308   3HG2  ILE  40          HG23      ILE  40   7.497  -0.011   0.534
  309   1HD1  ILE  40          HD11      ILE  40   6.901   0.958   1.956
  310   2HD1  ILE  40          HD12      ILE  40   7.250   2.329   3.010
  311   3HD1  ILE  40          HD13      ILE  40   8.020   0.770   3.307
  312    H    ASP  41           HN       ASP  41  10.891   3.187  -2.716
  313    HA   ASP  41           HA       ASP  41   8.650   3.229  -4.641
  314   1HB   ASP  41          HB2       ASP  41  11.599   3.915  -4.665
  315   2HB   ASP  41          HB1       ASP  41  10.630   3.956  -6.138
  316    H    GLY  42           HN       GLY  42   8.774   0.684  -3.837
  317   1HA   GLY  42          HA2       GLY  42  10.671  -0.906  -5.402
  318   2HA   GLY  42          HA1       GLY  42   9.399  -1.530  -4.350
  319    H    GLU  43           HN       GLU  43   8.299  -2.882  -5.683
  320    HA   GLU  43           HA       GLU  43   7.266  -1.777  -8.229
  321   1HB   GLU  43          HB2       GLU  43   7.198  -4.192  -8.948
  322   2HB   GLU  43          HB1       GLU  43   8.823  -3.611  -8.596
  323   1HG   GLU  43          HG2       GLU  43   7.590  -4.648  -6.181
  324   2HG   GLU  43          HG1       GLU  43   7.530  -5.855  -7.462
  325    H    TRP  44           HN       TRP  44   5.307  -1.006  -7.535
  326    HA   TRP  44           HA       TRP  44   3.664  -2.262  -5.578
  327   1HB   TRP  44          HB2       TRP  44   3.313  -0.117  -7.649
  328   2HB   TRP  44          HB1       TRP  44   1.967  -0.615  -6.616
  329    HD1  TRP  44           HD1      TRP  44   5.666   0.443  -6.214
  330    HE1  TRP  44           HE1      TRP  44   5.878   1.750  -3.997
  331    HE3  TRP  44           HE3      TRP  44   0.861   0.098  -4.515
  332    HZ2  TRP  44           HZ2      TRP  44   4.233   2.513  -1.793
  333    HZ3  TRP  44           HZ3      TRP  44   0.211   1.126  -2.356
  334    HH2  TRP  44           HH2      TRP  44   1.890   2.340  -0.994
  335    H    THR  45           HN       THR  45   1.905  -3.532  -5.739
  336    HA   THR  45           HA       THR  45   0.772  -4.327  -8.341
  337    HB   THR  45           HB       THR  45   1.138  -6.781  -7.538
  338    HG1  THR  45           HG1      THR  45   2.977  -7.009  -6.245
  339   1HG2  THR  45          HG21      THR  45   3.714  -5.467  -8.321
  340   2HG2  THR  45          HG22      THR  45   2.335  -5.364  -9.416
  341   3HG2  THR  45          HG23      THR  45   2.975  -6.940  -8.950
  342    H    TYR  46           HN       TYR  46  -1.399  -4.589  -8.006
  343    HA   TYR  46           HA       TYR  46  -2.369  -4.611  -5.190
  344   1HB   TYR  46          HB2       TYR  46  -3.159  -2.777  -6.491
  345   2HB   TYR  46          HB1       TYR  46  -3.455  -3.792  -7.896
  346    HD1  TYR  46           HD1      TYR  46  -4.825  -2.496  -4.774
  347    HD2  TYR  46           HD2      TYR  46  -5.375  -5.398  -7.892
  348    HE1  TYR  46           HE1      TYR  46  -7.184  -2.778  -4.092
  349    HE2  TYR  46           HE2      TYR  46  -7.738  -5.687  -7.206
  350    HH   TYR  46           HH       TYR  46  -9.470  -4.406  -6.024
  351    H    ASP  47           HN       ASP  47  -3.599  -6.305  -4.416
  352    HA   ASP  47           HA       ASP  47  -4.001  -8.659  -6.217
  353   1HB   ASP  47          HB2       ASP  47  -3.843  -8.317  -3.204
  354   2HB   ASP  47          HB1       ASP  47  -4.128  -9.860  -4.009
  355    H    ASP  48           HN       ASP  48  -6.050  -8.370  -7.103
  356    HA   ASP  48           HA       ASP  48  -8.284  -7.121  -5.824
  357   1HB   ASP  48          HB2       ASP  48  -7.721  -7.846  -8.309
  358   2HB   ASP  48          HB1       ASP  48  -8.594  -9.309  -7.854
  359    H    ALA  49           HN       ALA  49  -6.964 -10.344  -5.523
  360    HA   ALA  49           HA       ALA  49  -9.178 -11.879  -4.755
  361   1HB   ALA  49          HB1       ALA  49  -6.282 -11.813  -3.903
  362   2HB   ALA  49          HB2       ALA  49  -7.054 -12.904  -5.054
  363   3HB   ALA  49          HB3       ALA  49  -7.384 -13.064  -3.330
  364    H    THR  50           HN       THR  50  -7.242  -9.630  -2.782
  365    HA   THR  50           HA       THR  50  -9.458  -9.519  -0.800
  366    HB   THR  50           HB       THR  50  -7.817  -9.945   1.026
  367    HG1  THR  50           HG1      THR  50  -5.777 -10.823   0.312
  368   1HG2  THR  50          HG21      THR  50  -9.154 -11.792  -0.097
  369   2HG2  THR  50          HG22      THR  50  -7.682 -12.319   0.720
  370   3HG2  THR  50          HG23      THR  50  -7.706 -12.157  -1.036
  371    H    LYS  51           HN       LYS  51  -7.967  -7.691  -2.823
  372    HA   LYS  51           HA       LYS  51  -7.203  -5.455  -2.907
  373   1HB   LYS  51          HB2       LYS  51  -9.344  -5.786  -0.994
  374   2HB   LYS  51          HB1       LYS  51  -8.266  -4.507  -0.438
  375   1HG   LYS  51          HG2       LYS  51  -9.467  -3.187  -1.848
  376   2HG   LYS  51          HG1       LYS  51  -8.457  -3.908  -3.102
  377   1HD   LYS  51          HD2       LYS  51 -10.716  -4.179  -3.843
  378   2HD   LYS  51          HD1       LYS  51 -10.205  -5.763  -3.258
  379   1HE   LYS  51          HE2       LYS  51 -11.568  -5.659  -1.379
  380   2HE   LYS  51          HE1       LYS  51 -11.515  -3.886  -1.314
  381   1HZ   LYS  51          HZ1       LYS  51 -12.890  -5.524  -3.380
  382   2HZ   LYS  51          HZ2       LYS  51 -12.774  -3.829  -3.396
  383   3HZ   LYS  51          HZ3       LYS  51 -13.647  -4.611  -2.167
  384    H    THR  52           HN       THR  52  -4.920  -5.864  -2.582
  385    HA   THR  52           HA       THR  52  -3.914  -4.876   0.023
  386    HB   THR  52           HB       THR  52  -3.162  -7.583  -1.119
  387    HG1  THR  52           HG1      THR  52  -4.990  -8.084  -0.212
  388   1HG2  THR  52          HG21      THR  52  -2.326  -5.999   1.301
  389   2HG2  THR  52          HG22      THR  52  -1.314  -6.834   0.123
  390   3HG2  THR  52          HG23      THR  52  -2.237  -7.760   1.306
  391    H    PHE  53           HN       PHE  53  -2.776  -3.173  -0.943
  392    HA   PHE  53           HA       PHE  53  -1.310  -3.311  -3.413
  393   1HB   PHE  53          HB2       PHE  53  -1.182  -1.562  -0.939
  394   2HB   PHE  53          HB1       PHE  53  -0.186  -1.252  -2.362
  395    HD1  PHE  53           HD1      PHE  53  -1.203  -0.601  -4.502
  396    HD2  PHE  53           HD2      PHE  53  -3.591  -1.226  -0.987
  397    HE1  PHE  53           HE1      PHE  53  -3.109   0.550  -5.592
  398    HE2  PHE  53           HE2      PHE  53  -5.497  -0.073  -2.074
  399    HZ   PHE  53           HZ       PHE  53  -5.255   0.815  -4.379
  400    H    THR  54           HN       THR  54   0.746  -4.147  -3.807
  401    HA   THR  54           HA       THR  54   2.337  -4.994  -1.396
  402    HB   THR  54           HB       THR  54   2.003  -6.375  -4.071
  403    HG1  THR  54           HG1      THR  54   0.977  -7.068  -1.525
  404   1HG2  THR  54          HG21      THR  54   4.106  -6.644  -2.391
  405   2HG2  THR  54          HG22      THR  54   3.465  -7.978  -3.351
  406   3HG2  THR  54          HG23      THR  54   2.989  -7.798  -1.662
  407    H    VAL  55           HN       VAL  55   3.986  -3.395  -1.408
  408    HA   VAL  55           HA       VAL  55   5.492  -3.033  -3.928
  409    HB   VAL  55           HB       VAL  55   4.619  -0.993  -2.751
  410   1HG1  VAL  55          HG11      VAL  55   5.483  -0.315  -0.635
  411   2HG1  VAL  55          HG12      VAL  55   6.692  -1.611  -0.659
  412   3HG1  VAL  55          HG13      VAL  55   4.987  -2.002  -0.428
  413   1HG2  VAL  55          HG21      VAL  55   7.633  -1.167  -2.697
  414   2HG2  VAL  55          HG22      VAL  55   6.653   0.273  -2.956
  415   3HG2  VAL  55          HG23      VAL  55   6.692  -0.997  -4.178
  416    H    THR  56           HN       THR  56   7.918  -2.909  -3.612
  417    HA   THR  56           HA       THR  56   9.087  -4.278  -1.298
  418    HB   THR  56           HB       THR  56   8.883  -5.530  -4.051
  419    HG1  THR  56           HG1      THR  56   7.164  -6.315  -3.168
  420   1HG2  THR  56          HG21      THR  56  10.771  -6.653  -3.547
  421   2HG2  THR  56          HG22      THR  56   9.912  -7.388  -2.193
  422   3HG2  THR  56          HG23      THR  56  10.841  -5.909  -1.949
  423    H    GLU  57           HN       GLU  57  10.978  -3.116  -1.053
  424    HA   GLU  57           HA       GLU  57  12.222  -1.735  -3.337
  425   1HB   GLU  57          HB2       GLU  57  12.860  -1.988  -0.382
  426   2HB   GLU  57          HB1       GLU  57  13.757  -0.953  -1.492
  427   1HG   GLU  57          HG2       GLU  57  10.758  -0.743  -1.249
  428   2HG   GLU  57          HG1       GLU  57  11.827   0.129  -0.150
  Start of MODEL   11
    1   1H    MET   1          HT1       MET   1  17.749  -2.974   1.506
    2   2H    MET   1          HT2       MET   1  17.536  -1.318   1.818
    3   3H    MET   1          HT3       MET   1  17.096  -1.964   0.310
    4    HA   MET   1           HA       MET   1  15.357  -3.301   1.379
    5   1HB   MET   1          HB2       MET   1  16.815  -2.119   3.700
    6   2HB   MET   1          HB1       MET   1  15.074  -2.343   3.878
    7   1HG   MET   1          HG2       MET   1  15.252  -4.699   3.394
    8   2HG   MET   1          HG1       MET   1  16.950  -4.530   2.945
    9   1HE   MET   1          HE1       MET   1  15.285  -5.911   6.612
   10   2HE   MET   1          HE2       MET   1  16.305  -6.791   5.478
   11   3HE   MET   1          HE3       MET   1  14.864  -5.963   4.895
   12    H    THR   2           HN       THR   2  13.918  -2.118   0.121
   13    HA   THR   2           HA       THR   2  13.554   0.783   0.565
   14    HB   THR   2           HB       THR   2  12.183  -1.179  -1.301
   15    HG1  THR   2           HG1      THR   2  14.445   0.495  -1.656
   16   1HG2  THR   2          HG21      THR   2  12.359   1.838  -1.202
   17   2HG2  THR   2          HG22      THR   2  10.905   0.841  -1.141
   18   3HG2  THR   2          HG23      THR   2  11.836   0.952  -2.635
   19    H    THR   3           HN       THR   3  12.251   1.319   2.282
   20    HA   THR   3           HA       THR   3  10.103  -0.451   3.169
   21    HB   THR   3           HB       THR   3  11.046   2.249   4.160
   22    HG1  THR   3           HG1      THR   3  12.635   1.200   5.010
   23   1HG2  THR   3          HG21      THR   3   9.702   1.951   6.002
   24   2HG2  THR   3          HG22      THR   3   9.798   0.193   5.918
   25   3HG2  THR   3          HG23      THR   3   8.732   1.070   4.823
   26    H    PHE   4           HN       PHE   4   8.497  -0.277   1.504
   27    HA   PHE   4           HA       PHE   4   7.553   2.312   0.529
   28   1HB   PHE   4          HB2       PHE   4   6.521  -0.537   0.374
   29   2HB   PHE   4          HB1       PHE   4   5.787   0.811  -0.492
   30    HD1  PHE   4           HD1      PHE   4   7.168   2.096  -2.176
   31    HD2  PHE   4           HD2      PHE   4   8.500  -1.588  -0.414
   32    HE1  PHE   4           HE1      PHE   4   8.836   1.828  -3.993
   33    HE2  PHE   4           HE2      PHE   4  10.168  -1.853  -2.229
   34    HZ   PHE   4           HZ       PHE   4  10.334  -0.145  -4.018
   35    H    LYS   5           HN       LYS   5   5.165   2.896   0.807
   36    HA   LYS   5           HA       LYS   5   4.058   2.060   3.460
   37   1HB   LYS   5          HB2       LYS   5   5.404   4.137   3.675
   38   2HB   LYS   5          HB1       LYS   5   4.405   4.898   2.438
   39   1HG   LYS   5          HG2       LYS   5   2.426   4.151   4.035
   40   2HG   LYS   5          HG1       LYS   5   3.699   4.164   5.256
   41   1HD   LYS   5          HD2       LYS   5   4.293   6.504   4.382
   42   2HD   LYS   5          HD1       LYS   5   2.745   6.457   3.537
   43   1HE   LYS   5          HE2       LYS   5   1.508   6.469   5.526
   44   2HE   LYS   5          HE1       LYS   5   2.854   5.812   6.480
   45   1HZ   LYS   5          HZ1       LYS   5   4.091   7.881   5.948
   46   2HZ   LYS   5          HZ2       LYS   5   2.720   8.144   6.916
   47   3HZ   LYS   5          HZ3       LYS   5   2.677   8.515   5.259
   48    H    LEU   6           HN       LEU   6   1.954   1.447   3.158
   49    HA   LEU   6           HA       LEU   6   0.505   2.381   0.727
   50   1HB   LEU   6          HB2       LEU   6   0.699  -0.025   1.101
   51   2HB   LEU   6          HB1       LEU   6   0.050   0.145   2.731
   52    HG   LEU   6           HG       LEU   6  -2.070   1.069   1.694
   53   1HD1  LEU   6          HD11      LEU   6  -0.598   0.222  -0.806
   54   2HD1  LEU   6          HD12      LEU   6  -1.333   1.785  -0.455
   55   3HD1  LEU   6          HD13      LEU   6  -2.355   0.379  -0.758
   56   1HD2  LEU   6          HD21      LEU   6  -2.555  -1.328   0.574
   57   2HD2  LEU   6          HD22      LEU   6  -2.432  -1.116   2.321
   58   3HD2  LEU   6          HD23      LEU   6  -1.048  -1.716   1.404
   59    H    ILE   7           HN       ILE   7  -1.008   3.983   0.969
   60    HA   ILE   7           HA       ILE   7  -1.805   4.945   3.605
   61    HB   ILE   7           HB       ILE   7  -1.478   6.131   1.247
   62   1HG1  ILE   7          HG12      ILE   7  -3.120   7.907   2.005
   63   2HG1  ILE   7          HG11      ILE   7  -3.617   6.795   3.280
   64   1HG2  ILE   7          HG21      ILE   7  -3.422   6.437  -0.071
   65   2HG2  ILE   7          HG22      ILE   7  -4.467   5.721   1.155
   66   3HG2  ILE   7          HG23      ILE   7  -3.360   4.702   0.238
   67   1HD1  ILE   7          HD11      ILE   7  -0.692   7.273   2.959
   68   2HD1  ILE   7          HD12      ILE   7  -1.632   7.001   4.427
   69   3HD1  ILE   7          HD13      ILE   7  -1.652   8.583   3.647
   70    H    ILE   8           HN       ILE   8  -4.266   5.109   4.113
   71    HA   ILE   8           HA       ILE   8  -5.665   2.637   3.146
   72    HB   ILE   8           HB       ILE   8  -5.603   3.815   5.946
   73   1HG1  ILE   8          HG12      ILE   8  -4.366   1.254   4.881
   74   2HG1  ILE   8          HG11      ILE   8  -3.462   2.733   5.210
   75   1HG2  ILE   8          HG21      ILE   8  -6.917   1.934   6.608
   76   2HG2  ILE   8          HG22      ILE   8  -6.699   1.144   5.047
   77   3HG2  ILE   8          HG23      ILE   8  -7.707   2.585   5.172
   78   1HD1  ILE   8          HD11      ILE   8  -5.191   1.498   7.344
   79   2HD1  ILE   8          HD12      ILE   8  -3.813   2.583   7.529
   80   3HD1  ILE   8          HD13      ILE   8  -3.556   0.902   7.061
   81    H    ASN   9           HN       ASN   9  -6.596   4.380   1.627
   82    HA   ASN   9           HA       ASN   9  -8.601   6.149   2.933
   83   1HB   ASN   9          HB2       ASN   9  -6.997   6.109   0.509
   84   2HB   ASN   9          HB1       ASN   9  -8.698   6.340   0.106
   85   1HD2  ASN   9          HD21      ASN   9  -5.984   8.100   0.743
   86   2HD2  ASN   9          HD22      ASN   9  -6.684   9.480   1.442
   87    H    GLY  10           HN       GLY  10  -9.170   3.477   3.287
   88   1HA   GLY  10          HA2       GLY  10 -11.261   2.842   1.254
   89   2HA   GLY  10          HA1       GLY  10 -10.495   1.654   2.313
   90    H    LYS  11           HN       LYS  11 -13.307   1.996   2.090
   91    HA   LYS  11           HA       LYS  11 -14.280   3.523   4.390
   92   1HB   LYS  11          HB2       LYS  11 -15.488   3.026   2.211
   93   2HB   LYS  11          HB1       LYS  11 -15.649   1.361   2.768
   94   1HG   LYS  11          HG2       LYS  11 -17.203   1.899   4.366
   95   2HG   LYS  11          HG1       LYS  11 -16.483   3.478   4.681
   96   1HD   LYS  11          HD2       LYS  11 -18.417   4.130   3.583
   97   2HD   LYS  11          HD1       LYS  11 -17.319   3.977   2.211
   98   1HE   LYS  11          HE2       LYS  11 -18.129   1.535   2.039
   99   2HE   LYS  11          HE1       LYS  11 -19.446   2.028   3.122
  100   1HZ   LYS  11          HZ1       LYS  11 -18.711   3.498   0.650
  101   2HZ   LYS  11          HZ2       LYS  11 -20.072   3.756   1.634
  102   3HZ   LYS  11          HZ3       LYS  11 -19.944   2.335   0.711
  103    H    THR  12           HN       THR  12 -12.582   0.617   4.175
  104    HA   THR  12           HA       THR  12 -14.061  -0.704   6.393
  105    HB   THR  12           HB       THR  12 -11.695  -1.614   4.724
  106    HG1  THR  12           HG1      THR  12 -13.405  -1.302   3.363
  107   1HG2  THR  12          HG21      THR  12 -12.336  -2.713   7.003
  108   2HG2  THR  12          HG22      THR  12 -12.064  -3.752   5.605
  109   3HG2  THR  12          HG23      THR  12 -13.709  -3.365   6.108
  110    H    LEU  13           HN       LEU  13 -10.965   0.838   5.599
  111    HA   LEU  13           HA       LEU  13 -10.340   0.938   8.515
  112   1HB   LEU  13          HB2       LEU  13  -9.104  -0.772   6.511
  113   2HB   LEU  13          HB1       LEU  13  -7.911   0.319   7.214
  114    HG   LEU  13           HG       LEU  13  -9.798  -0.993   9.107
  115   1HD1  LEU  13          HD11      LEU  13  -8.907  -3.124   8.971
  116   2HD1  LEU  13          HD12      LEU  13  -7.392  -2.560   8.268
  117   3HD1  LEU  13          HD13      LEU  13  -8.841  -2.668   7.269
  118   1HD2  LEU  13          HD21      LEU  13  -7.390  -1.246  10.203
  119   2HD2  LEU  13          HD22      LEU  13  -8.224   0.307  10.215
  120   3HD2  LEU  13          HD23      LEU  13  -6.968  -0.010   9.019
  121    H    LYS  14           HN       LYS  14  -8.312   2.376   8.832
  122    HA   LYS  14           HA       LYS  14  -7.794   4.332   6.687
  123   1HB   LYS  14          HB2       LYS  14  -9.778   4.682   8.786
  124   2HB   LYS  14          HB1       LYS  14  -8.534   5.927   8.893
  125   1HG   LYS  14          HG2       LYS  14  -8.888   6.068   6.277
  126   2HG   LYS  14          HG1       LYS  14 -10.455   5.358   6.663
  127   1HD   LYS  14          HD2       LYS  14 -11.195   7.237   7.743
  128   2HD   LYS  14          HD1       LYS  14  -9.595   7.628   8.375
  129   1HE   LYS  14          HE2       LYS  14  -9.846   7.821   5.426
  130   2HE   LYS  14          HE1       LYS  14 -10.769   9.023   6.351
  131   1HZ   LYS  14          HZ1       LYS  14  -7.897   8.363   6.745
  132   2HZ   LYS  14          HZ2       LYS  14  -8.785   9.487   7.659
  133   3HZ   LYS  14          HZ3       LYS  14  -8.491   9.770   6.009
  134    H    GLY  15           HN       GLY  15  -5.839   5.450   7.045
  135   1HA   GLY  15          HA2       GLY  15  -4.339   6.270   9.008
  136   2HA   GLY  15          HA1       GLY  15  -4.289   4.558   9.428
  137    H    GLU  16           HN       GLU  16  -2.267   3.867   8.887
  138    HA   GLU  16           HA       GLU  16  -1.438   4.032   6.051
  139   1HB   GLU  16          HB2       GLU  16   0.745   5.049   6.699
  140   2HB   GLU  16          HB1       GLU  16  -0.612   6.115   7.058
  141   1HG   GLU  16          HG2       GLU  16  -0.591   5.161   9.416
  142   2HG   GLU  16          HG1       GLU  16   0.940   4.389   9.003
  143    H    THR  17           HN       THR  17   0.489   2.630   5.656
  144    HA   THR  17           HA       THR  17   1.175   0.708   7.816
  145    HB   THR  17           HB       THR  17  -0.004  -0.092   5.134
  146    HG1  THR  17           HG1      THR  17  -1.747  -0.790   6.545
  147   1HG2  THR  17          HG21      THR  17   1.696  -1.562   6.573
  148   2HG2  THR  17          HG22      THR  17   0.310  -2.289   5.760
  149   3HG2  THR  17          HG23      THR  17   0.227  -1.920   7.482
  150    H    THR  18           HN       THR  18   3.214  -0.250   7.470
  151    HA   THR  18           HA       THR  18   4.631   0.447   4.920
  152    HB   THR  18           HB       THR  18   6.618   0.898   6.426
  153    HG1  THR  18           HG1      THR  18   6.257   0.100   8.347
  154   1HG2  THR  18          HG21      THR  18   4.134   2.573   6.887
  155   2HG2  THR  18          HG22      THR  18   5.246   2.731   5.527
  156   3HG2  THR  18          HG23      THR  18   5.792   3.107   7.161
  157    H    THR  19           HN       THR  19   6.643  -0.937   4.658
  158    HA   THR  19           HA       THR  19   6.818  -3.430   6.192
  159    HB   THR  19           HB       THR  19   4.851  -3.820   4.762
  160    HG1  THR  19           HG1      THR  19   5.975  -5.648   4.997
  161   1HG2  THR  19          HG21      THR  19   4.867  -3.574   2.416
  162   2HG2  THR  19          HG22      THR  19   6.628  -3.520   2.345
  163   3HG2  THR  19          HG23      THR  19   5.729  -2.146   2.987
  164    H    GLU  20           HN       GLU  20   8.518  -4.902   5.133
  165    HA   GLU  20           HA       GLU  20  10.699  -3.202   4.008
  166   1HB   GLU  20          HB2       GLU  20  10.467  -5.733   5.608
  167   2HB   GLU  20          HB1       GLU  20  11.939  -5.444   4.679
  168   1HG   GLU  20          HG2       GLU  20  12.336  -4.526   6.854
  169   2HG   GLU  20          HG1       GLU  20  12.041  -3.152   5.786
  170    H    ALA  21           HN       ALA  21  11.104  -3.390   1.845
  171    HA   ALA  21           HA       ALA  21  10.854  -6.028   0.507
  172   1HB   ALA  21          HB1       ALA  21   9.515  -3.660  -0.759
  173   2HB   ALA  21          HB2       ALA  21   8.675  -4.508   0.540
  174   3HB   ALA  21          HB3       ALA  21   9.136  -5.374  -0.926
  175    H    VAL  22           HN       VAL  22  12.197  -6.165  -1.334
  176    HA   VAL  22           HA       VAL  22  14.452  -4.419  -1.516
  177    HB   VAL  22           HB       VAL  22  14.375  -6.780  -2.251
  178   1HG1  VAL  22          HG11      VAL  22  12.923  -5.964  -4.745
  179   2HG1  VAL  22          HG12      VAL  22  11.990  -6.345  -3.300
  180   3HG1  VAL  22          HG13      VAL  22  13.058  -7.558  -4.005
  181   1HG2  VAL  22          HG21      VAL  22  15.206  -4.590  -4.106
  182   2HG2  VAL  22          HG22      VAL  22  15.256  -6.243  -4.716
  183   3HG2  VAL  22          HG23      VAL  22  16.190  -5.802  -3.287
  184    H    ASP  23           HN       ASP  23  11.357  -4.456  -3.239
  185    HA   ASP  23           HA       ASP  23  11.612  -1.668  -4.007
  186   1HB   ASP  23          HB2       ASP  23  11.729  -2.130  -6.468
  187   2HB   ASP  23          HB1       ASP  23  13.177  -2.642  -5.605
  188    H    ALA  24           HN       ALA  24   9.753  -1.179  -5.706
  189    HA   ALA  24           HA       ALA  24   7.255  -1.810  -4.608
  190   1HB   ALA  24          HB1       ALA  24   8.219  -0.164  -6.530
  191   2HB   ALA  24          HB2       ALA  24   6.497  -0.470  -6.308
  192   3HB   ALA  24          HB3       ALA  24   7.397  -1.356  -7.538
  193    H    ALA  25           HN       ALA  25   9.168  -3.641  -6.909
  194    HA   ALA  25           HA       ALA  25   7.182  -5.320  -8.059
  195   1HB   ALA  25          HB1       ALA  25   9.951  -6.222  -7.253
  196   2HB   ALA  25          HB2       ALA  25   9.715  -5.026  -8.527
  197   3HB   ALA  25          HB3       ALA  25   9.042  -6.646  -8.704
  198    H    THR  26           HN       THR  26   8.538  -5.298  -4.832
  199    HA   THR  26           HA       THR  26   7.117  -7.869  -4.222
  200    HB   THR  26           HB       THR  26   9.478  -6.568  -2.832
  201    HG1  THR  26           HG1      THR  26  10.341  -7.240  -4.661
  202   1HG2  THR  26          HG21      THR  26   8.600  -8.006  -1.244
  203   2HG2  THR  26          HG22      THR  26   9.644  -9.119  -2.128
  204   3HG2  THR  26          HG23      THR  26   7.911  -9.088  -2.454
  205    H    ALA  27           HN       ALA  27   7.230  -4.474  -3.565
  206    HA   ALA  27           HA       ALA  27   6.199  -4.510  -0.855
  207   1HB   ALA  27          HB1       ALA  27   6.251  -2.201  -1.112
  208   2HB   ALA  27          HB2       ALA  27   5.688  -2.273  -2.781
  209   3HB   ALA  27          HB3       ALA  27   7.362  -2.673  -2.397
  210    H    GLU  28           HN       GLU  28   4.646  -3.928  -4.032
  211    HA   GLU  28           HA       GLU  28   1.964  -3.639  -3.100
  212   1HB   GLU  28          HB2       GLU  28   3.051  -3.213  -5.404
  213   2HB   GLU  28          HB1       GLU  28   2.794  -4.932  -5.706
  214   1HG   GLU  28          HG2       GLU  28   0.392  -4.674  -5.305
  215   2HG   GLU  28          HG1       GLU  28   0.621  -2.967  -4.920
  216    H    LYS  29           HN       LYS  29   3.895  -6.538  -3.733
  217    HA   LYS  29           HA       LYS  29   1.821  -8.487  -3.838
  218   1HB   LYS  29          HB2       LYS  29   4.671  -8.517  -2.812
  219   2HB   LYS  29          HB1       LYS  29   3.697  -9.979  -2.958
  220   1HG   LYS  29          HG2       LYS  29   3.287  -9.213  -5.400
  221   2HG   LYS  29          HG1       LYS  29   4.668  -8.146  -5.144
  222   1HD   LYS  29          HD2       LYS  29   6.168  -9.898  -4.969
  223   2HD   LYS  29          HD1       LYS  29   4.949 -11.017  -4.358
  224   1HE   LYS  29          HE2       LYS  29   5.452 -11.725  -6.609
  225   2HE   LYS  29          HE1       LYS  29   3.882 -10.900  -6.695
  226   1HZ   LYS  29          HZ1       LYS  29   6.519  -9.605  -7.152
  227   2HZ   LYS  29          HZ2       LYS  29   4.999  -8.856  -7.275
  228   3HZ   LYS  29          HZ3       LYS  29   5.443 -10.069  -8.378
  229    H    VAL  30           HN       VAL  30   3.503  -7.055  -1.040
  230    HA   VAL  30           HA       VAL  30   1.990  -8.668   0.896
  231    HB   VAL  30           HB       VAL  30   3.855  -6.281   1.164
  232   1HG1  VAL  30          HG11      VAL  30   2.584  -8.144   3.166
  233   2HG1  VAL  30          HG12      VAL  30   2.686  -6.383   3.209
  234   3HG1  VAL  30          HG13      VAL  30   4.124  -7.358   3.515
  235   1HG2  VAL  30          HG21      VAL  30   4.693  -8.505   0.119
  236   2HG2  VAL  30          HG22      VAL  30   4.498  -9.175   1.739
  237   3HG2  VAL  30          HG23      VAL  30   5.612  -7.835   1.467
  238    H    PHE  31           HN       PHE  31   2.042  -5.272  -0.208
  239    HA   PHE  31           HA       PHE  31  -0.021  -4.343   1.583
  240   1HB   PHE  31          HB2       PHE  31   1.250  -3.401  -0.983
  241   2HB   PHE  31          HB1       PHE  31  -0.106  -2.514  -0.287
  242    HD1  PHE  31           HD1      PHE  31   0.287  -2.633   2.572
  243    HD2  PHE  31           HD2      PHE  31   3.228  -2.248  -0.536
  244    HE1  PHE  31           HE1      PHE  31   1.832  -1.536   4.170
  245    HE2  PHE  31           HE2      PHE  31   4.771  -1.153   1.064
  246    HZ   PHE  31           HZ       PHE  31   4.075  -0.797   3.416
  247    H    LYS  32           HN       LYS  32  -0.066  -5.733  -1.686
  248    HA   LYS  32           HA       LYS  32  -2.815  -5.190  -2.299
  249   1HB   LYS  32          HB2       LYS  32  -1.073  -5.918  -3.917
  250   2HB   LYS  32          HB1       LYS  32  -1.014  -7.497  -3.131
  251   1HG   LYS  32          HG2       LYS  32  -3.238  -8.027  -3.799
  252   2HG   LYS  32          HG1       LYS  32  -3.582  -6.356  -4.248
  253   1HD   LYS  32          HD2       LYS  32  -2.277  -6.474  -6.196
  254   2HD   LYS  32          HD1       LYS  32  -1.366  -7.868  -5.614
  255   1HE   LYS  32          HE2       LYS  32  -2.794  -9.033  -6.990
  256   2HE   LYS  32          HE1       LYS  32  -3.914  -8.882  -5.622
  257   1HZ   LYS  32          HZ1       LYS  32  -4.699  -6.790  -6.524
  258   2HZ   LYS  32          HZ2       LYS  32  -4.896  -8.023  -7.676
  259   3HZ   LYS  32          HZ3       LYS  32  -3.622  -6.910  -7.828
  260    H    GLN  33           HN       GLN  33  -1.213  -8.028  -0.830
  261    HA   GLN  33           HA       GLN  33  -3.572  -9.587  -0.385
  262   1HB   GLN  33          HB2       GLN  33  -1.217 -10.397  -0.302
  263   2HB   GLN  33          HB1       GLN  33  -0.971  -9.462   1.174
  264   1HG   GLN  33          HG2       GLN  33  -1.460 -11.731   1.833
  265   2HG   GLN  33          HG1       GLN  33  -2.882 -10.755   2.205
  266   1HE2  GLN  33          HE21      GLN  33  -4.776 -11.787   1.583
  267   2HE2  GLN  33          HE22      GLN  33  -4.941 -12.801   0.232
  268    H    TYR  34           HN       TYR  34  -2.065  -6.992   1.378
  269    HA   TYR  34           HA       TYR  34  -3.560  -7.252   3.845
  270   1HB   TYR  34          HB2       TYR  34  -1.529  -6.045   3.937
  271   2HB   TYR  34          HB1       TYR  34  -1.871  -5.169   2.450
  272    HD1  TYR  34           HD1      TYR  34  -3.128  -3.122   2.467
  273    HD2  TYR  34           HD2      TYR  34  -2.680  -5.434   6.055
  274    HE1  TYR  34           HE1      TYR  34  -4.023  -1.228   3.791
  275    HE2  TYR  34           HE2      TYR  34  -3.578  -3.541   7.388
  276    HH   TYR  34           HH       TYR  34  -5.173  -0.915   6.002
  277    H    ALA  35           HN       ALA  35  -3.918  -5.177   0.952
  278    HA   ALA  35           HA       ALA  35  -6.416  -3.974   1.830
  279   1HB   ALA  35          HB1       ALA  35  -6.357  -3.497  -0.799
  280   2HB   ALA  35          HB2       ALA  35  -4.698  -4.073  -0.622
  281   3HB   ALA  35          HB3       ALA  35  -5.251  -2.671   0.299
  282    H    ASN  36           HN       ASN  36  -5.528  -6.746  -0.180
  283    HA   ASN  36           HA       ASN  36  -8.041  -7.293  -1.370
  284   1HB   ASN  36          HB2       ASN  36  -5.846  -8.301  -1.964
  285   2HB   ASN  36          HB1       ASN  36  -5.870  -9.201  -0.448
  286   1HD2  ASN  36          HD21      ASN  36  -5.758 -10.698  -2.789
  287   2HD2  ASN  36          HD22      ASN  36  -7.251 -11.453  -3.077
  288    H    ASP  37           HN       ASP  37  -6.614  -8.679   1.608
  289    HA   ASP  37           HA       ASP  37  -8.875 -10.239   2.388
  290   1HB   ASP  37          HB2       ASP  37  -6.320  -9.901   3.221
  291   2HB   ASP  37          HB1       ASP  37  -7.162  -8.988   4.475
  292    H    ASN  38           HN       ASN  38  -8.039  -6.845   3.017
  293    HA   ASN  38           HA       ASN  38 -10.254  -6.415   4.881
  294   1HB   ASN  38          HB2       ASN  38  -8.172  -4.753   3.472
  295   2HB   ASN  38          HB1       ASN  38  -9.476  -3.970   4.366
  296   1HD2  ASN  38          HD21      ASN  38  -6.565  -5.938   4.702
  297   2HD2  ASN  38          HD22      ASN  38  -6.484  -5.855   6.396
  298    H    GLY  39           HN       GLY  39  -9.589  -5.620   1.466
  299   1HA   GLY  39          HA2       GLY  39 -11.461  -5.770  -0.152
  300   2HA   GLY  39          HA1       GLY  39 -12.517  -5.132   1.110
  301    H    ILE  40           HN       ILE  40  -9.275  -3.980   0.194
  302    HA   ILE  40           HA       ILE  40 -10.447  -1.271  -0.211
  303    HB   ILE  40           HB       ILE  40  -7.620  -2.297   0.219
  304   1HG1  ILE  40          HG12      ILE  40  -9.508  -0.720   2.000
  305   2HG1  ILE  40          HG11      ILE  40  -9.180  -2.444   2.155
  306   1HG2  ILE  40          HG21      ILE  40  -8.712   0.426  -0.417
  307   2HG2  ILE  40          HG22      ILE  40  -7.186  -0.307  -0.921
  308   3HG2  ILE  40          HG23      ILE  40  -7.371   0.310   0.721
  309   1HD1  ILE  40          HD11      ILE  40  -6.889  -0.501   2.168
  310   2HD1  ILE  40          HD12      ILE  40  -6.998  -2.098   2.907
  311   3HD1  ILE  40          HD13      ILE  40  -7.846  -0.731   3.632
  312    H    ASP  41           HN       ASP  41 -11.189  -2.630  -2.343
  313    HA   ASP  41           HA       ASP  41  -9.158  -2.705  -4.466
  314   1HB   ASP  41          HB2       ASP  41 -11.134  -3.359  -5.836
  315   2HB   ASP  41          HB1       ASP  41 -11.037  -4.307  -4.354
  316    H    GLY  42           HN       GLY  42  -8.849  -0.245  -3.666
  317   1HA   GLY  42          HA2       GLY  42 -10.748   1.603  -4.962
  318   2HA   GLY  42          HA1       GLY  42  -9.381   2.054  -3.942
  319    H    GLU  43           HN       GLU  43  -8.291   3.424  -5.261
  320    HA   GLU  43           HA       GLU  43  -7.426   2.401  -7.904
  321   1HB   GLU  43          HB2       GLU  43  -7.280   4.819  -8.529
  322   2HB   GLU  43          HB1       GLU  43  -8.910   4.337  -8.068
  323   1HG   GLU  43          HG2       GLU  43  -7.530   5.158  -5.690
  324   2HG   GLU  43          HG1       GLU  43  -7.278   6.393  -6.919
  325    H    TRP  44           HN       TRP  44  -5.449   1.529  -7.411
  326    HA   TRP  44           HA       TRP  44  -3.675   2.597  -5.440
  327   1HB   TRP  44          HB2       TRP  44  -3.493   0.546  -7.630
  328   2HB   TRP  44          HB1       TRP  44  -2.106   0.920  -6.599
  329    HD1  TRP  44           HD1      TRP  44  -5.832  -0.028  -6.204
  330    HE1  TRP  44           HE1      TRP  44  -6.074  -1.429  -4.051
  331    HE3  TRP  44           HE3      TRP  44  -1.012   0.094  -4.525
  332    HZ2  TRP  44           HZ2      TRP  44  -4.441  -2.347  -1.896
  333    HZ3  TRP  44           HZ3      TRP  44  -0.382  -1.054  -2.420
  334    HH2  TRP  44           HH2      TRP  44  -2.090  -2.280  -1.107
  335    H    THR  45           HN       THR  45  -1.876   3.807  -5.624
  336    HA   THR  45           HA       THR  45  -0.831   4.671  -8.244
  337    HB   THR  45           HB       THR  45  -1.021   7.097  -7.270
  338    HG1  THR  45           HG1      THR  45  -2.535   7.377  -5.760
  339   1HG2  THR  45          HG21      THR  45  -3.558   5.723  -8.183
  340   2HG2  THR  45          HG22      THR  45  -2.233   6.143  -9.268
  341   3HG2  THR  45          HG23      THR  45  -3.114   7.414  -8.419
  342    H    TYR  46           HN       TYR  46   1.369   4.843  -8.026
  343    HA   TYR  46           HA       TYR  46   2.477   4.731  -5.252
  344   1HB   TYR  46          HB2       TYR  46   3.018   2.799  -6.520
  345   2HB   TYR  46          HB1       TYR  46   3.293   3.726  -7.987
  346    HD1  TYR  46           HD1      TYR  46   4.721   2.788  -4.689
  347    HD2  TYR  46           HD2      TYR  46   5.418   4.760  -8.440
  348    HE1  TYR  46           HE1      TYR  46   7.142   2.851  -4.204
  349    HE2  TYR  46           HE2      TYR  46   7.847   4.831  -7.951
  350    HH   TYR  46           HH       TYR  46   9.309   2.978  -5.663
  351    H    ASP  47           HN       ASP  47   3.915   6.308  -4.587
  352    HA   ASP  47           HA       ASP  47   4.530   8.526  -6.506
  353   1HB   ASP  47          HB2       ASP  47   3.646   8.304  -3.714
  354   2HB   ASP  47          HB1       ASP  47   5.023   9.390  -3.901
  355    H    ASP  48           HN       ASP  48   6.640   8.622  -7.139
  356    HA   ASP  48           HA       ASP  48   8.692   6.950  -5.905
  357   1HB   ASP  48          HB2       ASP  48   8.441   7.483  -8.349
  358   2HB   ASP  48          HB1       ASP  48   8.908   9.145  -7.987
  359    H    ALA  49           HN       ALA  49   7.673  10.292  -5.618
  360    HA   ALA  49           HA       ALA  49   9.992  11.578  -4.705
  361   1HB   ALA  49          HB1       ALA  49   8.238  12.926  -3.355
  362   2HB   ALA  49          HB2       ALA  49   7.056  11.821  -4.056
  363   3HB   ALA  49          HB3       ALA  49   8.033  12.848  -5.105
  364    H    THR  50           HN       THR  50   7.712   9.543  -2.875
  365    HA   THR  50           HA       THR  50   9.770   9.277  -0.728
  366    HB   THR  50           HB       THR  50   7.948   9.656   0.937
  367    HG1  THR  50           HG1      THR  50   5.978   9.767   0.259
  368   1HG2  THR  50          HG21      THR  50   7.834  12.068   0.646
  369   2HG2  THR  50          HG22      THR  50   8.216  11.912  -1.069
  370   3HG2  THR  50          HG23      THR  50   9.430  11.508   0.145
  371    H    LYS  51           HN       LYS  51   8.138   7.600  -2.947
  372    HA   LYS  51           HA       LYS  51   7.334   5.391  -3.133
  373   1HB   LYS  51          HB2       LYS  51   9.577   5.562  -1.276
  374   2HB   LYS  51          HB1       LYS  51   8.551   4.175  -0.912
  375   1HG   LYS  51          HG2       LYS  51   9.863   3.201  -2.524
  376   2HG   LYS  51          HG1       LYS  51   8.652   3.923  -3.584
  377   1HD   LYS  51          HD2       LYS  51  10.830   4.518  -4.449
  378   2HD   LYS  51          HD1       LYS  51  10.121   5.967  -3.736
  379   1HE   LYS  51          HE2       LYS  51  11.552   4.551  -1.673
  380   2HE   LYS  51          HE1       LYS  51  12.619   4.766  -3.074
  381   1HZ   LYS  51          HZ1       LYS  51  11.771   7.110  -3.168
  382   2HZ   LYS  51          HZ2       LYS  51  12.750   6.756  -1.825
  383   3HZ   LYS  51          HZ3       LYS  51  11.063   6.851  -1.648
  384    H    THR  52           HN       THR  52   5.097   5.679  -2.634
  385    HA   THR  52           HA       THR  52   4.260   4.507  -0.061
  386    HB   THR  52           HB       THR  52   3.547   7.343  -0.877
  387    HG1  THR  52           HG1      THR  52   4.862   7.936   0.775
  388   1HG2  THR  52          HG21      THR  52   1.713   6.151   0.288
  389   2HG2  THR  52          HG22      THR  52   2.387   7.440   1.285
  390   3HG2  THR  52          HG23      THR  52   2.819   5.761   1.605
  391    H    PHE  53           HN       PHE  53   2.982   2.932  -1.041
  392    HA   PHE  53           HA       PHE  53   1.420   3.233  -3.424
  393   1HB   PHE  53          HB2       PHE  53   1.273   1.428  -0.991
  394   2HB   PHE  53          HB1       PHE  53   0.206   1.218  -2.379
  395    HD1  PHE  53           HD1      PHE  53   1.062   0.464  -4.532
  396    HD2  PHE  53           HD2      PHE  53   3.685   1.031  -1.179
  397    HE1  PHE  53           HE1      PHE  53   2.847  -0.786  -5.717
  398    HE2  PHE  53           HE2      PHE  53   5.471  -0.218  -2.363
  399    HZ   PHE  53           HZ       PHE  53   5.050  -1.128  -4.633
  400    H    THR  54           HN       THR  54  -0.585   4.222  -3.724
  401    HA   THR  54           HA       THR  54  -2.054   5.055  -1.229
  402    HB   THR  54           HB       THR  54  -1.717   6.527  -3.856
  403    HG1  THR  54           HG1      THR  54  -0.050   7.431  -2.959
  404   1HG2  THR  54          HG21      THR  54  -3.771   6.835  -2.126
  405   2HG2  THR  54          HG22      THR  54  -3.074   8.176  -3.034
  406   3HG2  THR  54          HG23      THR  54  -2.581   7.890  -1.366
  407    H    VAL  55           HN       VAL  55  -3.753   3.493  -1.274
  408    HA   VAL  55           HA       VAL  55  -5.362   3.299  -3.745
  409    HB   VAL  55           HB       VAL  55  -4.552   1.191  -2.645
  410   1HG1  VAL  55          HG11      VAL  55  -6.501   1.885  -0.458
  411   2HG1  VAL  55          HG12      VAL  55  -4.759   2.122  -0.293
  412   3HG1  VAL  55          HG13      VAL  55  -5.410   0.494  -0.522
  413   1HG2  VAL  55          HG21      VAL  55  -7.549   1.481  -2.468
  414   2HG2  VAL  55          HG22      VAL  55  -6.637   0.014  -2.810
  415   3HG2  VAL  55          HG23      VAL  55  -6.678   1.322  -3.993
  416    H    THR  56           HN       THR  56  -7.797   3.246  -3.324
  417    HA   THR  56           HA       THR  56  -8.782   4.647  -0.943
  418    HB   THR  56           HB       THR  56  -8.750   5.872  -3.715
  419    HG1  THR  56           HG1      THR  56  -6.863   6.403  -2.907
  420   1HG2  THR  56          HG21      THR  56 -10.266   6.510  -1.229
  421   2HG2  THR  56          HG22      THR  56 -10.721   6.753  -2.915
  422   3HG2  THR  56          HG23      THR  56  -9.603   7.871  -2.134
  423    H    GLU  57           HN       GLU  57 -10.496   3.240  -0.598
  424    HA   GLU  57           HA       GLU  57 -12.107   2.281  -2.908
  425   1HB   GLU  57          HB2       GLU  57 -11.110   1.031  -0.738
  426   2HB   GLU  57          HB1       GLU  57 -12.675   1.514  -0.084
  427   1HG   GLU  57          HG2       GLU  57 -12.543   0.231  -2.796
  428   2HG   GLU  57          HG1       GLU  57 -12.455  -0.779  -1.352
  Start of MODEL   12
    1   1H    MET   1          HT1       MET   1  17.219  -3.243   0.474
    2   2H    MET   1          HT2       MET   1  17.501  -4.354   1.729
    3   3H    MET   1          HT3       MET   1  17.306  -2.703   2.080
    4    HA   MET   1           HA       MET   1  15.170  -4.372   0.860
    5   1HB   MET   1          HB2       MET   1  14.296  -4.461   3.191
    6   2HB   MET   1          HB1       MET   1  15.867  -5.247   3.051
    7   1HG   MET   1          HG2       MET   1  16.995  -3.401   4.053
    8   2HG   MET   1          HG1       MET   1  15.591  -2.350   3.875
    9   1HE   MET   1          HE1       MET   1  14.386  -2.329   7.281
   10   2HE   MET   1          HE2       MET   1  14.040  -1.851   5.622
   11   3HE   MET   1          HE3       MET   1  15.645  -1.572   6.295
   12    H    THR   2           HN       THR   2  13.028  -3.251   1.341
   13    HA   THR   2           HA       THR   2  13.249  -0.300   1.704
   14    HB   THR   2           HB       THR   2  11.939  -1.687  -0.659
   15    HG1  THR   2           HG1      THR   2  14.304  -0.133  -0.460
   16   1HG2  THR   2          HG21      THR   2  10.785   0.365  -0.094
   17   2HG2  THR   2          HG22      THR   2  11.789   0.672  -1.514
   18   3HG2  THR   2          HG23      THR   2  12.315   1.227   0.076
   19    H    THR   3           HN       THR   3  11.831  -0.020   3.385
   20    HA   THR   3           HA       THR   3   9.469  -1.711   3.677
   21    HB   THR   3           HB       THR   3  10.867  -1.155   5.604
   22    HG1  THR   3           HG1      THR   3   8.615  -1.363   5.920
   23   1HG2  THR   3          HG21      THR   3  11.774   0.888   5.831
   24   2HG2  THR   3          HG22      THR   3  10.167   1.590   6.014
   25   3HG2  THR   3          HG23      THR   3  10.886   1.439   4.411
   26    H    PHE   4           HN       PHE   4   8.035  -1.074   2.003
   27    HA   PHE   4           HA       PHE   4   7.388   1.729   1.486
   28   1HB   PHE   4          HB2       PHE   4   6.145  -0.925   0.699
   29   2HB   PHE   4          HB1       PHE   4   5.626   0.628   0.047
   30    HD1  PHE   4           HD1      PHE   4   8.290  -1.899   0.114
   31    HD2  PHE   4           HD2      PHE   4   7.086   1.918  -1.445
   32    HE1  PHE   4           HE1      PHE   4  10.109  -2.012  -1.567
   33    HE2  PHE   4           HE2      PHE   4   8.908   1.804  -3.125
   34    HZ   PHE   4           HZ       PHE   4  10.416  -0.160  -3.186
   35    H    LYS   5           HN       LYS   5   4.966   2.385   1.635
   36    HA   LYS   5           HA       LYS   5   3.632   1.225   4.050
   37   1HB   LYS   5          HB2       LYS   5   5.081   3.211   4.596
   38   2HB   LYS   5          HB1       LYS   5   4.080   4.178   3.512
   39   1HG   LYS   5          HG2       LYS   5   2.080   3.332   4.912
   40   2HG   LYS   5          HG1       LYS   5   3.288   2.849   6.103
   41   1HD   LYS   5          HD2       LYS   5   3.133   5.648   4.961
   42   2HD   LYS   5          HD1       LYS   5   2.309   5.169   6.445
   43   1HE   LYS   5          HE2       LYS   5   4.827   4.210   6.931
   44   2HE   LYS   5          HE1       LYS   5   5.186   5.666   5.981
   45   1HZ   LYS   5          HZ1       LYS   5   3.290   5.576   8.268
   46   2HZ   LYS   5          HZ2       LYS   5   3.768   6.956   7.399
   47   3HZ   LYS   5          HZ3       LYS   5   4.888   6.134   8.377
   48    H    LEU   6           HN       LEU   6   1.479   0.892   3.633
   49    HA   LEU   6           HA       LEU   6   0.289   2.191   1.222
   50   1HB   LEU   6          HB2       LEU   6   0.322  -0.254   1.305
   51   2HB   LEU   6          HB1       LEU   6  -0.465  -0.237   2.882
   52    HG   LEU   6           HG       LEU   6  -2.410   0.972   1.783
   53   1HD1  LEU   6          HD11      LEU   6  -1.431   1.846  -0.202
   54   2HD1  LEU   6          HD12      LEU   6  -2.507   0.559  -0.746
   55   3HD1  LEU   6          HD13      LEU   6  -0.767   0.276  -0.656
   56   1HD2  LEU   6          HD21      LEU   6  -1.563  -1.840   1.286
   57   2HD2  LEU   6          HD22      LEU   6  -2.950  -1.253   0.368
   58   3HD2  LEU   6          HD23      LEU   6  -2.985  -1.226   2.131
   59    H    ILE   7           HN       ILE   7  -1.095   3.878   1.587
   60    HA   ILE   7           HA       ILE   7  -2.031   4.573   4.246
   61    HB   ILE   7           HB       ILE   7  -1.528   5.967   2.026
   62   1HG1  ILE   7          HG12      ILE   7  -3.052   7.769   2.917
   63   2HG1  ILE   7          HG11      ILE   7  -3.709   6.573   4.034
   64   1HG2  ILE   7          HG21      ILE   7  -4.534   5.733   1.807
   65   2HG2  ILE   7          HG22      ILE   7  -3.439   4.791   0.797
   66   3HG2  ILE   7          HG23      ILE   7  -3.422   6.551   0.710
   67   1HD1  ILE   7          HD11      ILE   7  -1.650   6.323   5.165
   68   2HD1  ILE   7          HD12      ILE   7  -1.769   8.060   4.882
   69   3HD1  ILE   7          HD13      ILE   7  -0.740   7.067   3.850
   70    H    ILE   8           HN       ILE   8  -4.546   4.858   4.568
   71    HA   ILE   8           HA       ILE   8  -5.994   2.567   3.292
   72    HB   ILE   8           HB       ILE   8  -5.952   3.331   6.229
   73   1HG1  ILE   8          HG12      ILE   8  -4.800   0.888   4.842
   74   2HG1  ILE   8          HG11      ILE   8  -3.841   2.270   5.374
   75   1HG2  ILE   8          HG21      ILE   8  -8.090   2.326   5.288
   76   2HG2  ILE   8          HG22      ILE   8  -7.335   1.404   6.587
   77   3HG2  ILE   8          HG23      ILE   8  -7.149   0.882   4.913
   78   1HD1  ILE   8          HD11      ILE   8  -4.798   1.891   7.700
   79   2HD1  ILE   8          HD12      ILE   8  -3.700   0.637   7.124
   80   3HD1  ILE   8          HD13      ILE   8  -5.442   0.364   7.096
   81    H    ASN   9           HN       ASN   9  -6.829   4.528   2.014
   82    HA   ASN   9           HA       ASN   9  -8.788   6.186   3.520
   83   1HB   ASN   9          HB2       ASN   9  -7.376   6.256   0.888
   84   2HB   ASN   9          HB1       ASN   9  -8.942   7.058   0.983
   85   1HD2  ASN   9          HD21      ASN   9  -6.317   8.397   0.692
   86   2HD2  ASN   9          HD22      ASN   9  -6.132   9.389   2.057
   87    H    GLY  10           HN       GLY  10  -9.473   3.518   3.478
   88   1HA   GLY  10          HA2       GLY  10 -11.517   3.250   1.321
   89   2HA   GLY  10          HA1       GLY  10 -10.863   1.906   2.264
   90    H    LYS  11           HN       LYS  11 -13.626   2.299   2.036
   91    HA   LYS  11           HA       LYS  11 -14.624   3.707   4.410
   92   1HB   LYS  11          HB2       LYS  11 -15.859   1.873   2.334
   93   2HB   LYS  11          HB1       LYS  11 -16.784   2.706   3.583
   94   1HG   LYS  11          HG2       LYS  11 -15.938   4.881   2.740
   95   2HG   LYS  11          HG1       LYS  11 -15.069   4.031   1.462
   96   1HD   LYS  11          HD2       LYS  11 -18.066   3.856   1.881
   97   2HD   LYS  11          HD1       LYS  11 -17.290   4.934   0.720
   98   1HE   LYS  11          HE2       LYS  11 -16.226   2.944  -0.366
   99   2HE   LYS  11          HE1       LYS  11 -17.139   1.899   0.740
  100   1HZ   LYS  11          HZ1       LYS  11 -18.307   3.916  -1.106
  101   2HZ   LYS  11          HZ2       LYS  11 -19.186   2.953  -0.016
  102   3HZ   LYS  11          HZ3       LYS  11 -18.364   2.234  -1.318
  103    H    THR  12           HN       THR  12 -12.981   0.819   4.118
  104    HA   THR  12           HA       THR  12 -14.615  -0.542   6.227
  105    HB   THR  12           HB       THR  12 -12.442  -1.716   4.476
  106    HG1  THR  12           HG1      THR  12 -13.775  -1.585   2.884
  107   1HG2  THR  12          HG21      THR  12 -14.630  -2.764   6.245
  108   2HG2  THR  12          HG22      THR  12 -12.937  -3.250   6.163
  109   3HG2  THR  12          HG23      THR  12 -14.058  -3.741   4.893
  110    H    LEU  13           HN       LEU  13 -11.431   0.725   5.389
  111    HA   LEU  13           HA       LEU  13 -10.574   0.254   8.225
  112   1HB   LEU  13          HB2       LEU  13  -9.180  -0.414   5.626
  113   2HB   LEU  13          HB1       LEU  13  -8.286  -0.249   7.138
  114    HG   LEU  13           HG       LEU  13 -10.719  -1.961   7.209
  115   1HD1  LEU  13          HD11      LEU  13  -8.183  -3.201   6.208
  116   2HD1  LEU  13          HD12      LEU  13  -9.243  -2.400   5.048
  117   3HD1  LEU  13          HD13      LEU  13  -9.848  -3.747   6.011
  118   1HD2  LEU  13          HD21      LEU  13  -9.403  -3.191   8.802
  119   2HD2  LEU  13          HD22      LEU  13  -9.134  -1.481   9.139
  120   3HD2  LEU  13          HD23      LEU  13  -7.916  -2.409   8.265
  121    H    LYS  14           HN       LYS  14  -8.646   1.670   8.772
  122    HA   LYS  14           HA       LYS  14  -8.225   4.048   7.070
  123   1HB   LYS  14          HB2       LYS  14 -10.370   4.182   8.591
  124   2HB   LYS  14          HB1       LYS  14  -9.204   4.476   9.881
  125   1HG   LYS  14          HG2       LYS  14  -8.307   6.401   8.723
  126   2HG   LYS  14          HG1       LYS  14  -9.282   6.052   7.295
  127   1HD   LYS  14          HD2       LYS  14 -11.297   6.215   8.973
  128   2HD   LYS  14          HD1       LYS  14 -10.153   7.121   9.963
  129   1HE   LYS  14          HE2       LYS  14 -10.019   8.879   8.442
  130   2HE   LYS  14          HE1       LYS  14 -10.430   7.845   7.059
  131   1HZ   LYS  14          HZ1       LYS  14 -12.256   8.652   9.262
  132   2HZ   LYS  14          HZ2       LYS  14 -12.653   7.549   8.032
  133   3HZ   LYS  14          HZ3       LYS  14 -12.337   9.174   7.650
  134    H    GLY  15           HN       GLY  15  -6.186   4.903   7.454
  135   1HA   GLY  15          HA2       GLY  15  -4.552   5.471   9.360
  136   2HA   GLY  15          HA1       GLY  15  -4.658   3.754   9.749
  137    H    GLU  16           HN       GLU  16  -2.700   2.916   9.174
  138    HA   GLU  16           HA       GLU  16  -1.951   2.857   6.342
  139   1HB   GLU  16          HB2       GLU  16   0.230   3.994   6.729
  140   2HB   GLU  16          HB1       GLU  16  -1.131   5.067   7.048
  141   1HG   GLU  16          HG2       GLU  16  -0.892   4.194   9.516
  142   2HG   GLU  16          HG1       GLU  16   0.736   3.751   9.003
  143    H    THR  17           HN       THR  17  -0.015   1.444   6.018
  144    HA   THR  17           HA       THR  17   0.747  -0.218   8.374
  145    HB   THR  17           HB       THR  17  -0.305  -1.319   5.749
  146    HG1  THR  17           HG1      THR  17  -1.560  -1.207   8.287
  147   1HG2  THR  17          HG21      THR  17   0.551  -2.542   8.374
  148   2HG2  THR  17          HG22      THR  17   1.147  -2.909   6.755
  149   3HG2  THR  17          HG23      THR  17  -0.477  -3.406   7.230
  150    H    THR  18           HN       THR  18   2.779  -1.274   8.086
  151    HA   THR  18           HA       THR  18   4.290  -0.527   5.602
  152    HB   THR  18           HB       THR  18   6.245  -0.426   7.313
  153    HG1  THR  18           HG1      THR  18   4.971  -1.389   8.991
  154   1HG2  THR  18          HG21      THR  18   4.797   1.488   6.194
  155   2HG2  THR  18          HG22      THR  18   5.938   1.865   7.484
  156   3HG2  THR  18          HG23      THR  18   4.218   1.713   7.845
  157    H    THR  19           HN       THR  19   6.111  -2.026   5.139
  158    HA   THR  19           HA       THR  19   6.094  -4.643   6.525
  159    HB   THR  19           HB       THR  19   4.258  -4.762   4.887
  160    HG1  THR  19           HG1      THR  19   5.173  -6.687   4.970
  161   1HG2  THR  19          HG21      THR  19   6.281  -4.337   2.691
  162   2HG2  THR  19          HG22      THR  19   5.392  -2.981   3.385
  163   3HG2  THR  19          HG23      THR  19   4.521  -4.292   2.589
  164    H    GLU  20           HN       GLU  20   7.617  -6.134   4.878
  165    HA   GLU  20           HA       GLU  20  10.081  -4.479   4.429
  166   1HB   GLU  20          HB2       GLU  20   9.768  -6.376   6.265
  167   2HB   GLU  20          HB1       GLU  20  10.097  -7.442   4.898
  168   1HG   GLU  20          HG2       GLU  20  12.253  -6.592   4.581
  169   2HG   GLU  20          HG1       GLU  20  11.884  -5.080   5.413
  170    H    ALA  21           HN       ALA  21  10.221  -4.166   2.224
  171    HA   ALA  21           HA       ALA  21  10.066  -6.587   0.473
  172   1HB   ALA  21          HB1       ALA  21   9.025  -3.983  -0.543
  173   2HB   ALA  21          HB2       ALA  21   8.037  -4.822   0.654
  174   3HB   ALA  21          HB3       ALA  21   8.452  -5.620  -0.863
  175    H    VAL  22           HN       VAL  22  11.691  -6.627  -1.077
  176    HA   VAL  22           HA       VAL  22  13.989  -4.997  -0.874
  177    HB   VAL  22           HB       VAL  22  14.558  -6.082  -3.029
  178   1HG1  VAL  22          HG11      VAL  22  13.411  -7.566  -0.725
  179   2HG1  VAL  22          HG12      VAL  22  15.053  -7.581  -1.367
  180   3HG1  VAL  22          HG13      VAL  22  13.783  -8.499  -2.175
  181   1HG2  VAL  22          HG21      VAL  22  12.954  -7.472  -4.196
  182   2HG2  VAL  22          HG22      VAL  22  12.258  -5.864  -4.023
  183   3HG2  VAL  22          HG23      VAL  22  11.733  -7.169  -2.963
  184    H    ASP  23           HN       ASP  23  11.052  -4.571  -2.787
  185    HA   ASP  23           HA       ASP  23  11.575  -1.763  -3.219
  186   1HB   ASP  23          HB2       ASP  23  11.853  -1.945  -5.715
  187   2HB   ASP  23          HB1       ASP  23  13.208  -2.603  -4.803
  188    H    ALA  24           HN       ALA  24   9.948  -0.993  -5.098
  189    HA   ALA  24           HA       ALA  24   7.315  -1.494  -4.260
  190   1HB   ALA  24          HB1       ALA  24   8.614  -0.404  -6.738
  191   2HB   ALA  24          HB2       ALA  24   7.678   0.449  -5.510
  192   3HB   ALA  24          HB3       ALA  24   6.860  -0.579  -6.686
  193    H    ALA  25           HN       ALA  25   9.305  -3.306  -6.499
  194    HA   ALA  25           HA       ALA  25   7.312  -4.696  -7.986
  195   1HB   ALA  25          HB1       ALA  25   9.139  -5.862  -8.757
  196   2HB   ALA  25          HB2       ALA  25   9.773  -6.136  -7.135
  197   3HB   ALA  25          HB3       ALA  25  10.017  -4.578  -7.925
  198    H    THR  26           HN       THR  26   8.426  -5.121  -4.680
  199    HA   THR  26           HA       THR  26   6.772  -7.613  -4.441
  200    HB   THR  26           HB       THR  26   8.955  -6.584  -2.608
  201    HG1  THR  26           HG1      THR  26   9.975  -6.912  -4.500
  202   1HG2  THR  26          HG21      THR  26   7.545  -9.226  -2.996
  203   2HG2  THR  26          HG22      THR  26   7.655  -8.258  -1.526
  204   3HG2  THR  26          HG23      THR  26   9.080  -9.099  -2.137
  205    H    ALA  27           HN       ALA  27   7.267  -4.354  -3.230
  206    HA   ALA  27           HA       ALA  27   5.853  -4.451  -0.768
  207   1HB   ALA  27          HB1       ALA  27   6.047  -2.148  -0.899
  208   2HB   ALA  27          HB2       ALA  27   5.558  -2.104  -2.593
  209   3HB   ALA  27          HB3       ALA  27   7.196  -2.594  -2.161
  210    H    GLU  28           HN       GLU  28   4.608  -3.691  -4.040
  211    HA   GLU  28           HA       GLU  28   1.863  -3.337  -3.314
  212   1HB   GLU  28          HB2       GLU  28   3.033  -2.718  -5.463
  213   2HB   GLU  28          HB1       GLU  28   3.018  -4.427  -5.901
  214   1HG   GLU  28          HG2       GLU  28   0.443  -4.236  -5.370
  215   2HG   GLU  28          HG1       GLU  28   0.717  -2.517  -5.655
  216    H    LYS  29           HN       LYS  29   3.704  -6.263  -4.172
  217    HA   LYS  29           HA       LYS  29   1.568  -8.099  -4.485
  218   1HB   LYS  29          HB2       LYS  29   4.433  -8.187  -3.667
  219   2HB   LYS  29          HB1       LYS  29   3.468  -9.640  -3.417
  220   1HG   LYS  29          HG2       LYS  29   2.685  -9.237  -5.879
  221   2HG   LYS  29          HG1       LYS  29   4.139  -8.245  -5.993
  222   1HD   LYS  29          HD2       LYS  29   5.459 -10.201  -5.122
  223   2HD   LYS  29          HD1       LYS  29   3.992 -11.175  -5.234
  224   1HE   LYS  29          HE2       LYS  29   3.893 -10.922  -7.620
  225   2HE   LYS  29          HE1       LYS  29   5.140  -9.659  -7.599
  226   1HZ   LYS  29          HZ1       LYS  29   6.194 -11.718  -8.143
  227   2HZ   LYS  29          HZ2       LYS  29   5.468 -12.509  -6.827
  228   3HZ   LYS  29          HZ3       LYS  29   6.645 -11.314  -6.559
  229    H    VAL  30           HN       VAL  30   3.194  -7.009  -1.508
  230    HA   VAL  30           HA       VAL  30   1.576  -8.758   0.212
  231    HB   VAL  30           HB       VAL  30   3.495  -6.461   0.748
  232   1HG1  VAL  30          HG11      VAL  30   2.163  -8.472   2.573
  233   2HG1  VAL  30          HG12      VAL  30   2.174  -6.714   2.716
  234   3HG1  VAL  30          HG13      VAL  30   3.648  -7.634   3.025
  235   1HG2  VAL  30          HG21      VAL  30   4.330  -8.581  -0.443
  236   2HG2  VAL  30          HG22      VAL  30   3.987  -9.428   1.066
  237   3HG2  VAL  30          HG23      VAL  30   5.175  -8.124   1.037
  238    H    PHE  31           HN       PHE  31   1.785  -5.247  -0.450
  239    HA   PHE  31           HA       PHE  31  -0.350  -4.485   1.323
  240   1HB   PHE  31          HB2       PHE  31   1.127  -3.283  -1.005
  241   2HB   PHE  31          HB1       PHE  31  -0.278  -2.444  -0.346
  242    HD1  PHE  31           HD1      PHE  31  -0.217  -2.789   2.473
  243    HD2  PHE  31           HD2      PHE  31   3.110  -2.349  -0.209
  244    HE1  PHE  31           HE1      PHE  31   1.171  -1.930   4.338
  245    HE2  PHE  31           HE2      PHE  31   4.497  -1.490   1.659
  246    HZ   PHE  31           HZ       PHE  31   3.529  -1.281   3.929
  247    H    LYS  32           HN       LYS  32  -0.278  -5.437  -2.102
  248    HA   LYS  32           HA       LYS  32  -2.981  -4.729  -2.751
  249   1HB   LYS  32          HB2       LYS  32  -1.189  -5.297  -4.378
  250   2HB   LYS  32          HB1       LYS  32  -1.209  -6.966  -3.805
  251   1HG   LYS  32          HG2       LYS  32  -3.372  -7.362  -4.668
  252   2HG   LYS  32          HG1       LYS  32  -3.725  -5.640  -4.812
  253   1HD   LYS  32          HD2       LYS  32  -2.079  -5.421  -6.611
  254   2HD   LYS  32          HD1       LYS  32  -1.638  -7.121  -6.439
  255   1HE   LYS  32          HE2       LYS  32  -4.525  -6.444  -6.914
  256   2HE   LYS  32          HE1       LYS  32  -3.398  -6.406  -8.286
  257   1HZ   LYS  32          HZ1       LYS  32  -3.706  -8.659  -6.370
  258   2HZ   LYS  32          HZ2       LYS  32  -2.629  -8.612  -7.683
  259   3HZ   LYS  32          HZ3       LYS  32  -4.306  -8.636  -7.956
  260    H    GLN  33           HN       GLN  33  -1.526  -7.749  -1.523
  261    HA   GLN  33           HA       GLN  33  -3.944  -9.291  -1.438
  262   1HB   GLN  33          HB2       GLN  33  -1.631 -10.191  -1.323
  263   2HB   GLN  33          HB1       GLN  33  -1.429  -9.434   0.255
  264   1HG   GLN  33          HG2       GLN  33  -2.009 -11.802   0.532
  265   2HG   GLN  33          HG1       GLN  33  -3.319 -10.785   1.131
  266   1HE2  GLN  33          HE21      GLN  33  -2.516 -11.687  -2.268
  267   2HE2  GLN  33          HE22      GLN  33  -4.018 -12.409  -2.585
  268    H    TYR  34           HN       TYR  34  -2.501  -6.975   0.720
  269    HA   TYR  34           HA       TYR  34  -4.151  -7.504   3.042
  270   1HB   TYR  34          HB2       TYR  34  -2.115  -6.373   3.421
  271   2HB   TYR  34          HB1       TYR  34  -2.327  -5.322   2.026
  272    HD1  TYR  34           HD1      TYR  34  -3.406  -5.974   5.509
  273    HD2  TYR  34           HD2      TYR  34  -3.533  -3.252   2.195
  274    HE1  TYR  34           HE1      TYR  34  -4.358  -4.220   6.988
  275    HE2  TYR  34           HE2      TYR  34  -4.483  -1.496   3.665
  276    HH   TYR  34           HH       TYR  34  -5.966  -1.818   6.186
  277    H    ALA  35           HN       ALA  35  -4.310  -5.171   0.348
  278    HA   ALA  35           HA       ALA  35  -6.817  -3.971   1.234
  279   1HB   ALA  35          HB1       ALA  35  -5.714  -2.477  -0.103
  280   2HB   ALA  35          HB2       ALA  35  -6.498  -3.346  -1.423
  281   3HB   ALA  35          HB3       ALA  35  -4.846  -3.755  -0.959
  282    H    ASN  36           HN       ASN  36  -5.871  -6.360  -1.234
  283    HA   ASN  36           HA       ASN  36  -8.383  -6.750  -2.471
  284   1HB   ASN  36          HB2       ASN  36  -6.085  -7.586  -3.148
  285   2HB   ASN  36          HB1       ASN  36  -6.263  -8.843  -1.922
  286   1HD2  ASN  36          HD21      ASN  36  -6.856 -10.757  -2.947
  287   2HD2  ASN  36          HD22      ASN  36  -7.997 -10.881  -4.198
  288    H    ASP  37           HN       ASP  37  -6.999  -8.203   0.457
  289    HA   ASP  37           HA       ASP  37  -9.106 -10.135   0.895
  290   1HB   ASP  37          HB2       ASP  37  -6.711 -10.022   1.827
  291   2HB   ASP  37          HB1       ASP  37  -7.331  -8.835   2.975
  292    H    ASN  38           HN       ASN  38  -8.428  -6.946   2.388
  293    HA   ASN  38           HA       ASN  38 -10.876  -6.870   3.930
  294   1HB   ASN  38          HB2       ASN  38  -8.850  -4.816   3.006
  295   2HB   ASN  38          HB1       ASN  38 -10.193  -4.409   4.076
  296   1HD2  ASN  38          HD21      ASN  38  -7.074  -4.768   4.449
  297   2HD2  ASN  38          HD22      ASN  38  -6.978  -5.697   5.866
  298    H    GLY  39           HN       GLY  39  -9.884  -5.228   0.905
  299   1HA   GLY  39          HA2       GLY  39 -11.665  -5.316  -0.919
  300   2HA   GLY  39          HA1       GLY  39 -12.780  -4.753   0.326
  301    H    ILE  40           HN       ILE  40  -9.462  -3.743  -0.592
  302    HA   ILE  40           HA       ILE  40 -10.511  -0.937  -0.774
  303    HB   ILE  40           HB       ILE  40  -7.767  -2.004  -0.024
  304   1HG1  ILE  40          HG12      ILE  40  -9.904  -0.638   1.647
  305   2HG1  ILE  40          HG11      ILE  40  -9.564  -2.368   1.669
  306   1HG2  ILE  40          HG21      ILE  40  -8.881   0.806  -0.261
  307   2HG2  ILE  40          HG22      ILE  40  -7.451   0.144  -1.066
  308   3HG2  ILE  40          HG23      ILE  40  -7.434   0.436   0.676
  309   1HD1  ILE  40          HD11      ILE  40  -8.442  -1.129   3.531
  310   2HD1  ILE  40          HD12      ILE  40  -7.529  -0.219   2.328
  311   3HD1  ILE  40          HD13      ILE  40  -7.301  -1.962   2.474
  312    H    ASP  41           HN       ASP  41 -11.006  -1.637  -3.091
  313    HA   ASP  41           HA       ASP  41  -8.601  -1.777  -4.850
  314   1HB   ASP  41          HB2       ASP  41 -10.832  -3.230  -4.873
  315   2HB   ASP  41          HB1       ASP  41 -11.451  -1.859  -5.793
  316    H    GLY  42           HN       GLY  42  -9.151   0.670  -3.460
  317   1HA   GLY  42          HA2       GLY  42 -10.650   2.559  -4.986
  318   2HA   GLY  42          HA1       GLY  42  -9.384   2.951  -3.822
  319    H    GLU  43           HN       GLU  43  -8.190   4.421  -4.923
  320    HA   GLU  43           HA       GLU  43  -7.177   3.690  -7.608
  321   1HB   GLU  43          HB2       GLU  43  -7.581   6.337  -6.191
  322   2HB   GLU  43          HB1       GLU  43  -6.798   6.189  -7.765
  323   1HG   GLU  43          HG2       GLU  43  -9.466   4.891  -7.408
  324   2HG   GLU  43          HG1       GLU  43  -9.417   6.647  -7.566
  325    H    TRP  44           HN       TRP  44  -5.190   2.749  -7.314
  326    HA   TRP  44           HA       TRP  44  -3.524   3.376  -5.043
  327   1HB   TRP  44          HB2       TRP  44  -3.336   1.615  -7.470
  328   2HB   TRP  44          HB1       TRP  44  -1.980   1.774  -6.346
  329    HD1  TRP  44           HD1      TRP  44  -5.763   0.986  -6.227
  330    HE1  TRP  44           HE1      TRP  44  -6.172  -0.671  -4.292
  331    HE3  TRP  44           HE3      TRP  44  -1.025   0.629  -4.351
  332    HZ2  TRP  44           HZ2      TRP  44  -4.689  -1.953  -2.217
  333    HZ3  TRP  44           HZ3      TRP  44  -0.552  -0.820  -2.397
  334    HH2  TRP  44           HH2      TRP  44  -2.376  -2.116  -1.331
  335    H    THR  45           HN       THR  45  -1.628   4.477  -4.990
  336    HA   THR  45           HA       THR  45  -0.399   5.594  -7.420
  337    HB   THR  45           HB       THR  45  -0.585   7.916  -6.207
  338    HG1  THR  45           HG1      THR  45  -2.345   8.099  -4.894
  339   1HG2  THR  45          HG21      THR  45  -1.699   7.087  -8.380
  340   2HG2  THR  45          HG22      THR  45  -2.447   8.457  -7.559
  341   3HG2  THR  45          HG23      THR  45  -3.141   6.844  -7.395
  342    H    TYR  46           HN       TYR  46   1.780   5.677  -7.049
  343    HA   TYR  46           HA       TYR  46   2.724   5.150  -4.273
  344   1HB   TYR  46          HB2       TYR  46   3.403   3.523  -5.881
  345   2HB   TYR  46          HB1       TYR  46   3.780   4.748  -7.084
  346    HD1  TYR  46           HD1      TYR  46   5.856   6.039  -6.965
  347    HD2  TYR  46           HD2      TYR  46   4.974   2.989  -4.074
  348    HE1  TYR  46           HE1      TYR  46   8.226   6.037  -6.243
  349    HE2  TYR  46           HE2      TYR  46   7.333   2.983  -3.356
  350    HH   TYR  46           HH       TYR  46   9.510   3.602  -4.167
  351    H    ASP  47           HN       ASP  47   4.032   6.622  -3.216
  352    HA   ASP  47           HA       ASP  47   4.641   9.195  -4.622
  353   1HB   ASP  47          HB2       ASP  47   3.140   8.966  -2.519
  354   2HB   ASP  47          HB1       ASP  47   4.644   8.664  -1.647
  355    H    ASP  48           HN       ASP  48   6.746   9.242  -5.298
  356    HA   ASP  48           HA       ASP  48   8.834   7.541  -4.247
  357   1HB   ASP  48          HB2       ASP  48   8.508   8.709  -6.554
  358   2HB   ASP  48          HB1       ASP  48   9.252  10.107  -5.777
  359    H    ALA  49           HN       ALA  49   7.579  10.620  -3.223
  360    HA   ALA  49           HA       ALA  49   9.804  11.894  -2.086
  361   1HB   ALA  49          HB1       ALA  49   7.536  12.831  -2.269
  362   2HB   ALA  49          HB2       ALA  49   8.102  12.926  -0.601
  363   3HB   ALA  49          HB3       ALA  49   6.954  11.673  -1.072
  364    H    THR  50           HN       THR  50   7.736   9.349  -0.675
  365    HA   THR  50           HA       THR  50   9.934   8.664   1.213
  366    HB   THR  50           HB       THR  50   8.317   8.753   3.097
  367    HG1  THR  50           HG1      THR  50   6.280   9.491   2.751
  368   1HG2  THR  50          HG21      THR  50   8.271  11.142   3.323
  369   2HG2  THR  50          HG22      THR  50   8.301  11.366   1.573
  370   3HG2  THR  50          HG23      THR  50   9.726  10.746   2.407
  371    H    LYS  51           HN       LYS  51   8.375   7.437  -1.172
  372    HA   LYS  51           HA       LYS  51   7.506   5.325  -1.776
  373   1HB   LYS  51          HB2       LYS  51   9.578   5.076   0.260
  374   2HB   LYS  51          HB1       LYS  51   8.453   3.721   0.337
  375   1HG   LYS  51          HG2       LYS  51   9.887   2.917  -1.280
  376   2HG   LYS  51          HG1       LYS  51   8.758   3.796  -2.311
  377   1HD   LYS  51          HD2       LYS  51  11.027   4.412  -2.939
  378   2HD   LYS  51          HD1       LYS  51  10.261   5.796  -2.160
  379   1HE   LYS  51          HE2       LYS  51  11.618   5.670  -0.298
  380   2HE   LYS  51          HE1       LYS  51  11.754   3.903  -0.392
  381   1HZ   LYS  51          HZ1       LYS  51  13.169   4.084  -2.285
  382   2HZ   LYS  51          HZ2       LYS  51  13.805   5.103  -1.083
  383   3HZ   LYS  51          HZ3       LYS  51  12.934   5.761  -2.386
  384    H    THR  52           HN       THR  52   5.243   5.665  -1.427
  385    HA   THR  52           HA       THR  52   4.139   4.202   0.887
  386    HB   THR  52           HB       THR  52   3.562   7.138   0.390
  387    HG1  THR  52           HG1      THR  52   5.098   7.514   1.757
  388   1HG2  THR  52          HG21      THR  52   2.645   5.185   2.515
  389   2HG2  THR  52          HG22      THR  52   1.636   6.020   1.333
  390   3HG2  THR  52          HG23      THR  52   2.421   6.931   2.623
  391    H    PHE  53           HN       PHE  53   2.835   2.844  -0.322
  392    HA   PHE  53           HA       PHE  53   1.484   3.527  -2.771
  393   1HB   PHE  53          HB2       PHE  53   1.123   1.410  -0.629
  394   2HB   PHE  53          HB1       PHE  53   0.135   1.438  -2.089
  395    HD1  PHE  53           HD1      PHE  53   1.044   0.828  -4.235
  396    HD2  PHE  53           HD2      PHE  53   3.583   1.070  -0.779
  397    HE1  PHE  53           HE1      PHE  53   2.856  -0.316  -5.484
  398    HE2  PHE  53           HE2      PHE  53   5.393  -0.073  -2.026
  399    HZ   PHE  53           HZ       PHE  53   5.030  -0.768  -4.380
  400    H    THR  54           HN       THR  54  -0.456   4.649  -3.045
  401    HA   THR  54           HA       THR  54  -2.032   5.223  -0.546
  402    HB   THR  54           HB       THR  54  -1.507   6.972  -2.963
  403    HG1  THR  54           HG1      THR  54  -0.203   8.101  -1.440
  404   1HG2  THR  54          HG21      THR  54  -3.624   7.153  -1.256
  405   2HG2  THR  54          HG22      THR  54  -2.887   8.540  -2.057
  406   3HG2  THR  54          HG23      THR  54  -2.428   8.129  -0.405
  407    H    VAL  55           HN       VAL  55  -3.783   3.744  -0.847
  408    HA   VAL  55           HA       VAL  55  -5.301   3.942  -3.378
  409    HB   VAL  55           HB       VAL  55  -4.642   1.665  -2.543
  410   1HG1  VAL  55          HG11      VAL  55  -4.851   2.266  -0.104
  411   2HG1  VAL  55          HG12      VAL  55  -5.628   0.745  -0.559
  412   3HG1  VAL  55          HG13      VAL  55  -6.602   2.207  -0.324
  413   1HG2  VAL  55          HG21      VAL  55  -7.623   2.084  -2.393
  414   2HG2  VAL  55          HG22      VAL  55  -6.769   0.636  -2.922
  415   3HG2  VAL  55          HG23      VAL  55  -6.721   2.098  -3.908
  416    H    THR  56           HN       THR  56  -7.759   3.959  -3.028
  417    HA   THR  56           HA       THR  56  -8.738   5.117  -0.510
  418    HB   THR  56           HB       THR  56  -8.575   6.653  -3.119
  419    HG1  THR  56           HG1      THR  56  -6.950   7.670  -2.225
  420   1HG2  THR  56          HG21      THR  56 -10.534   6.890  -1.183
  421   2HG2  THR  56          HG22      THR  56 -10.049   8.168  -2.296
  422   3HG2  THR  56          HG23      THR  56  -9.350   8.095  -0.679
  423    H    GLU  57           HN       GLU  57 -10.537   3.780  -0.374
  424    HA   GLU  57           HA       GLU  57 -12.076   3.041  -2.781
  425   1HB   GLU  57          HB2       GLU  57 -11.426   1.785  -0.468
  426   2HB   GLU  57          HB1       GLU  57 -13.015   2.413  -0.029
  427   1HG   GLU  57          HG2       GLU  57 -12.577   0.960  -2.636
  428   2HG   GLU  57          HG1       GLU  57 -12.924   0.082  -1.146
  Start of MODEL   13
    1   1H    MET   1          HT1       MET   1  17.616  -0.662   0.449
    2   2H    MET   1          HT2       MET   1  18.116  -1.293   1.945
    3   3H    MET   1          HT3       MET   1  17.679   0.344   1.813
    4    HA   MET   1           HA       MET   1  15.771  -1.870   1.282
    5   1HB   MET   1          HB2       MET   1  15.025  -1.435   3.625
    6   2HB   MET   1          HB1       MET   1  16.675  -2.050   3.555
    7   1HG   MET   1          HG2       MET   1  16.345   0.912   3.460
    8   2HG   MET   1          HG1       MET   1  16.005   0.125   5.000
    9   1HE   MET   1          HE1       MET   1  18.884   2.214   4.266
   10   2HE   MET   1          HE2       MET   1  19.300   1.518   5.831
   11   3HE   MET   1          HE3       MET   1  17.622   1.911   5.468
   12    H    THR   2           HN       THR   2  13.507  -0.909   1.789
   13    HA   THR   2           HA       THR   2  13.292   2.017   1.342
   14    HB   THR   2           HB       THR   2  12.122  -0.061  -0.535
   15    HG1  THR   2           HG1      THR   2  14.214   0.016  -1.046
   16   1HG2  THR   2          HG21      THR   2  11.678   1.991  -1.932
   17   2HG2  THR   2          HG22      THR   2  12.141   2.966  -0.537
   18   3HG2  THR   2          HG23      THR   2  10.732   1.908  -0.444
   19    H    THR   3           HN       THR   3  11.879   2.514   2.975
   20    HA   THR   3           HA       THR   3   9.842   0.636   3.874
   21    HB   THR   3           HB       THR   3  10.350   3.501   4.697
   22    HG1  THR   3           HG1      THR   3  11.507   1.129   5.728
   23   1HG2  THR   3          HG21      THR   3   9.490   1.293   6.524
   24   2HG2  THR   3          HG22      THR   3   8.293   2.004   5.442
   25   3HG2  THR   3          HG23      THR   3   9.138   3.019   6.610
   26    H    PHE   4           HN       PHE   4   8.274   0.509   2.184
   27    HA   PHE   4           HA       PHE   4   7.143   2.933   0.976
   28   1HB   PHE   4          HB2       PHE   4   6.481  -0.025   0.909
   29   2HB   PHE   4          HB1       PHE   4   5.607   1.176  -0.038
   30    HD1  PHE   4           HD1      PHE   4   8.725  -0.692   0.347
   31    HD2  PHE   4           HD2      PHE   4   6.758   2.444  -1.830
   32    HE1  PHE   4           HE1      PHE   4  10.486  -0.797  -1.393
   33    HE2  PHE   4           HE2      PHE   4   8.522   2.340  -3.570
   34    HZ   PHE   4           HZ       PHE   4  10.384   0.721  -3.352
   35    H    LYS   5           HN       LYS   5   4.721   3.318   1.128
   36    HA   LYS   5           HA       LYS   5   3.541   2.447   3.738
   37   1HB   LYS   5          HB2       LYS   5   4.770   4.671   3.833
   38   2HB   LYS   5          HB1       LYS   5   3.569   5.295   2.703
   39   1HG   LYS   5          HG2       LYS   5   1.889   5.290   4.270
   40   2HG   LYS   5          HG1       LYS   5   2.534   3.878   5.107
   41   1HD   LYS   5          HD2       LYS   5   2.909   5.678   6.606
   42   2HD   LYS   5          HD1       LYS   5   4.472   5.412   5.833
   43   1HE   LYS   5          HE2       LYS   5   4.269   7.727   5.590
   44   2HE   LYS   5          HE1       LYS   5   3.504   7.187   4.082
   45   1HZ   LYS   5          HZ1       LYS   5   2.118   7.761   6.649
   46   2HZ   LYS   5          HZ2       LYS   5   1.369   7.135   5.258
   47   3HZ   LYS   5          HZ3       LYS   5   2.035   8.698   5.238
   48    H    LEU   6           HN       LEU   6   1.587   1.543   3.228
   49    HA   LEU   6           HA       LEU   6   0.160   2.387   0.761
   50   1HB   LEU   6          HB2       LEU   6   0.547   0.005   1.157
   51   2HB   LEU   6          HB1       LEU   6  -0.199   0.118   2.750
   52    HG   LEU   6           HG       LEU   6  -2.334   0.848   1.604
   53   1HD1  LEU   6          HD11      LEU   6  -1.573   1.642  -0.502
   54   2HD1  LEU   6          HD12      LEU   6  -2.419   0.137  -0.864
   55   3HD1  LEU   6          HD13      LEU   6  -0.655   0.169  -0.813
   56   1HD2  LEU   6          HD21      LEU   6  -2.575  -1.567   0.474
   57   2HD2  LEU   6          HD22      LEU   6  -2.501  -1.370   2.225
   58   3HD2  LEU   6          HD23      LEU   6  -1.055  -1.838   1.327
   59    H    ILE   7           HN       ILE   7  -1.523   3.825   0.914
   60    HA   ILE   7           HA       ILE   7  -2.515   4.737   3.497
   61    HB   ILE   7           HB       ILE   7  -2.243   5.900   1.114
   62   1HG1  ILE   7          HG12      ILE   7  -4.153   7.474   1.795
   63   2HG1  ILE   7          HG11      ILE   7  -4.420   6.373   3.146
   64   1HG2  ILE   7          HG21      ILE   7  -4.193   5.991  -0.239
   65   2HG2  ILE   7          HG22      ILE   7  -5.170   5.165   0.974
   66   3HG2  ILE   7          HG23      ILE   7  -3.934   4.278   0.085
   67   1HD1  ILE   7          HD11      ILE   7  -1.815   7.787   2.505
   68   2HD1  ILE   7          HD12      ILE   7  -2.065   6.667   3.844
   69   3HD1  ILE   7          HD13      ILE   7  -2.922   8.208   3.812
   70    H    ILE   8           HN       ILE   8  -5.005   4.638   3.912
   71    HA   ILE   8           HA       ILE   8  -6.078   1.999   2.968
   72    HB   ILE   8           HB       ILE   8  -6.189   3.228   5.746
   73   1HG1  ILE   8          HG12      ILE   8  -4.695   0.778   4.755
   74   2HG1  ILE   8          HG11      ILE   8  -3.944   2.351   5.023
   75   1HG2  ILE   8          HG21      ILE   8  -7.155   1.060   6.403
   76   2HG2  ILE   8          HG22      ILE   8  -7.112   0.524   4.724
   77   3HG2  ILE   8          HG23      ILE   8  -8.171   1.850   5.200
   78   1HD1  ILE   8          HD11      ILE   8  -3.970   0.490   6.932
   79   2HD1  ILE   8          HD12      ILE   8  -5.561   1.183   7.248
   80   3HD1  ILE   8          HD13      ILE   8  -4.124   2.203   7.321
   81    H    ASN   9           HN       ASN   9  -7.158   3.614   1.398
   82    HA   ASN   9           HA       ASN   9  -9.404   5.127   2.638
   83   1HB   ASN   9          HB2       ASN   9  -7.734   5.271   0.243
   84   2HB   ASN   9          HB1       ASN   9  -9.446   5.394  -0.160
   85   1HD2  ASN   9          HD21      ASN   9  -7.055   7.449   0.170
   86   2HD2  ASN   9          HD22      ASN   9  -7.773   8.699   1.068
   87    H    GLY  10           HN       GLY  10  -9.654   2.399   2.933
   88   1HA   GLY  10          HA2       GLY  10 -11.474   1.470   0.771
   89   2HA   GLY  10          HA1       GLY  10 -10.765   0.447   2.024
   90    H    LYS  11           HN       LYS  11 -13.474   0.293   1.549
   91    HA   LYS  11           HA       LYS  11 -14.913   1.986   3.485
   92   1HB   LYS  11          HB2       LYS  11 -15.720   1.109   1.212
   93   2HB   LYS  11          HB1       LYS  11 -15.893  -0.459   2.000
   94   1HG   LYS  11          HG2       LYS  11 -17.204   0.978   3.810
   95   2HG   LYS  11          HG1       LYS  11 -17.436   2.068   2.444
   96   1HD   LYS  11          HD2       LYS  11 -18.304   0.128   1.114
   97   2HD   LYS  11          HD1       LYS  11 -18.203  -0.862   2.571
   98   1HE   LYS  11          HE2       LYS  11 -20.352  -0.156   2.928
   99   2HE   LYS  11          HE1       LYS  11 -19.591   1.350   3.478
  100   1HZ   LYS  11          HZ1       LYS  11 -20.407   0.712   0.691
  101   2HZ   LYS  11          HZ2       LYS  11 -19.584   2.120   1.166
  102   3HZ   LYS  11          HZ3       LYS  11 -21.163   1.828   1.721
  103    H    THR  12           HN       THR  12 -12.824  -0.507   3.966
  104    HA   THR  12           HA       THR  12 -14.480  -1.770   6.119
  105    HB   THR  12           HB       THR  12 -12.007  -2.811   4.703
  106    HG1  THR  12           HG1      THR  12 -13.275  -3.416   3.162
  107   1HG2  THR  12          HG21      THR  12 -13.133  -5.009   5.538
  108   2HG2  THR  12          HG22      THR  12 -14.003  -3.948   6.646
  109   3HG2  THR  12          HG23      THR  12 -12.241  -4.022   6.697
  110    H    LEU  13           HN       LEU  13 -11.356  -0.287   5.298
  111    HA   LEU  13           HA       LEU  13 -10.829   0.021   8.235
  112   1HB   LEU  13          HB2       LEU  13  -9.333  -1.438   6.153
  113   2HB   LEU  13          HB1       LEU  13  -8.337  -0.350   7.118
  114    HG   LEU  13           HG       LEU  13 -10.298  -2.146   8.505
  115   1HD1  LEU  13          HD11      LEU  13  -8.846  -4.002   8.472
  116   2HD1  LEU  13          HD12      LEU  13  -7.486  -3.042   7.891
  117   3HD1  LEU  13          HD13      LEU  13  -8.818  -3.433   6.803
  118   1HD2  LEU  13          HD21      LEU  13  -8.879  -1.818  10.354
  119   2HD2  LEU  13          HD22      LEU  13  -8.819  -0.257   9.535
  120   3HD2  LEU  13          HD23      LEU  13  -7.497  -1.407   9.338
  121    H    LYS  14           HN       LYS  14  -9.096   1.723   8.608
  122    HA   LYS  14           HA       LYS  14  -8.719   3.685   6.423
  123   1HB   LYS  14          HB2       LYS  14 -10.949   3.838   7.982
  124   2HB   LYS  14          HB1       LYS  14  -9.825   4.810   8.933
  125   1HG   LYS  14          HG2       LYS  14  -9.526   6.379   7.224
  126   2HG   LYS  14          HG1       LYS  14 -10.047   5.255   5.968
  127   1HD   LYS  14          HD2       LYS  14 -12.344   5.400   6.689
  128   2HD   LYS  14          HD1       LYS  14 -11.889   6.320   8.123
  129   1HE   LYS  14          HE2       LYS  14 -11.235   7.351   5.358
  130   2HE   LYS  14          HE1       LYS  14 -12.809   7.671   6.113
  131   1HZ   LYS  14          HZ1       LYS  14 -11.587   8.436   8.106
  132   2HZ   LYS  14          HZ2       LYS  14 -11.307   9.410   6.743
  133   3HZ   LYS  14          HZ3       LYS  14 -10.133   8.290   7.246
  134    H    GLY  15           HN       GLY  15  -6.809   4.844   6.726
  135   1HA   GLY  15          HA2       GLY  15  -5.453   5.945   8.665
  136   2HA   GLY  15          HA1       GLY  15  -5.305   4.283   9.236
  137    H    GLU  16           HN       GLU  16  -3.069   4.088   8.935
  138    HA   GLU  16           HA       GLU  16  -2.180   3.912   6.090
  139   1HB   GLU  16          HB2       GLU  16  -1.220   5.698   8.283
  140   2HB   GLU  16          HB1       GLU  16  -0.001   5.020   7.203
  141   1HG   GLU  16          HG2       GLU  16  -0.765   6.188   5.378
  142   2HG   GLU  16          HG1       GLU  16  -2.441   6.154   5.928
  143    H    THR  17           HN       THR  17  -0.007   2.750   5.983
  144    HA   THR  17           HA       THR  17   0.733   1.097   8.314
  145    HB   THR  17           HB       THR  17  -0.313  -0.157   5.757
  146    HG1  THR  17           HG1      THR  17  -1.568   0.066   8.289
  147   1HG2  THR  17          HG21      THR  17   0.361  -1.298   8.483
  148   2HG2  THR  17          HG22      THR  17   1.296  -1.526   7.005
  149   3HG2  THR  17          HG23      THR  17  -0.324  -2.211   7.139
  150    H    THR  18           HN       THR  18   2.911   0.660   8.187
  151    HA   THR  18           HA       THR  18   4.279   1.121   5.557
  152    HB   THR  18           HB       THR  18   6.243   1.611   7.095
  153    HG1  THR  18           HG1      THR  18   5.297   0.438   8.875
  154   1HG2  THR  18          HG21      THR  18   3.699   3.230   7.381
  155   2HG2  THR  18          HG22      THR  18   4.964   3.448   6.172
  156   3HG2  THR  18          HG23      THR  18   5.295   3.804   7.867
  157    H    THR  19           HN       THR  19   6.336  -0.212   5.322
  158    HA   THR  19           HA       THR  19   6.493  -2.727   6.846
  159    HB   THR  19           HB       THR  19   4.646  -3.129   5.268
  160    HG1  THR  19           HG1      THR  19   5.781  -4.940   5.517
  161   1HG2  THR  19          HG21      THR  19   4.870  -2.872   2.909
  162   2HG2  THR  19          HG22      THR  19   6.615  -2.642   3.026
  163   3HG2  THR  19          HG23      THR  19   5.519  -1.388   3.606
  164    H    GLU  20           HN       GLU  20   8.328  -4.105   5.954
  165    HA   GLU  20           HA       GLU  20  10.533  -2.334   5.017
  166   1HB   GLU  20          HB2       GLU  20  10.398  -4.013   7.089
  167   2HB   GLU  20          HB1       GLU  20  10.882  -5.185   5.863
  168   1HG   GLU  20          HG2       GLU  20  12.971  -4.462   6.527
  169   2HG   GLU  20          HG1       GLU  20  12.647  -3.275   5.263
  170    H    ALA  21           HN       ALA  21  10.745  -2.324   2.808
  171    HA   ALA  21           HA       ALA  21  10.818  -4.952   1.388
  172   1HB   ALA  21          HB1       ALA  21   9.086  -4.377  -0.010
  173   2HB   ALA  21          HB2       ALA  21   9.510  -2.665   0.009
  174   3HB   ALA  21          HB3       ALA  21   8.613  -3.367   1.356
  175    H    VAL  22           HN       VAL  22  12.462  -5.014  -0.146
  176    HA   VAL  22           HA       VAL  22  14.515  -3.052  -0.193
  177    HB   VAL  22           HB       VAL  22  15.311  -4.410  -2.103
  178   1HG1  VAL  22          HG11      VAL  22  15.172  -5.189   0.435
  179   2HG1  VAL  22          HG12      VAL  22  15.776  -6.269  -0.822
  180   3HG1  VAL  22          HG13      VAL  22  14.112  -6.418  -0.256
  181   1HG2  VAL  22          HG21      VAL  22  13.645  -6.483  -2.482
  182   2HG2  VAL  22          HG22      VAL  22  13.570  -5.026  -3.473
  183   3HG2  VAL  22          HG23      VAL  22  12.452  -5.235  -2.126
  184    H    ASP  23           HN       ASP  23  11.605  -3.432  -2.151
  185    HA   ASP  23           HA       ASP  23  11.753  -0.704  -3.127
  186   1HB   ASP  23          HB2       ASP  23  12.143  -1.290  -5.501
  187   2HB   ASP  23          HB1       ASP  23  13.505  -1.776  -4.496
  188    H    ALA  24           HN       ALA  24  10.035  -0.542  -5.074
  189    HA   ALA  24           HA       ALA  24   7.488  -1.215  -4.094
  190   1HB   ALA  24          HB1       ALA  24   8.103   0.496  -5.824
  191   2HB   ALA  24          HB2       ALA  24   6.729  -0.504  -6.298
  192   3HB   ALA  24          HB3       ALA  24   8.325  -0.818  -6.980
  193    H    ALA  25           HN       ALA  25   9.724  -3.152  -5.963
  194    HA   ALA  25           HA       ALA  25   7.972  -5.048  -7.154
  195   1HB   ALA  25          HB1       ALA  25  10.490  -4.696  -7.425
  196   2HB   ALA  25          HB2       ALA  25   9.962  -6.377  -7.351
  197   3HB   ALA  25          HB3       ALA  25  10.686  -5.616  -5.934
  198    H    THR  26           HN       THR  26   9.060  -4.703  -3.828
  199    HA   THR  26           HA       THR  26   7.693  -7.266  -3.093
  200    HB   THR  26           HB       THR  26   9.685  -5.550  -1.574
  201    HG1  THR  26           HG1      THR  26  11.166  -7.121  -2.238
  202   1HG2  THR  26          HG21      THR  26   8.851  -8.424  -1.119
  203   2HG2  THR  26          HG22      THR  26   8.172  -7.058  -0.234
  204   3HG2  THR  26          HG23      THR  26   9.888  -7.438  -0.089
  205    H    ALA  27           HN       ALA  27   7.730  -3.787  -2.588
  206    HA   ALA  27           HA       ALA  27   6.121  -3.610  -0.232
  207   1HB   ALA  27          HB1       ALA  27   7.469  -1.866  -1.684
  208   2HB   ALA  27          HB2       ALA  27   6.049  -1.334  -0.784
  209   3HB   ALA  27          HB3       ALA  27   5.927  -1.660  -2.512
  210    H    GLU  28           HN       GLU  28   5.059  -3.115  -3.626
  211    HA   GLU  28           HA       GLU  28   2.251  -3.189  -3.118
  212   1HB   GLU  28          HB2       GLU  28   3.818  -2.636  -5.224
  213   2HB   GLU  28          HB1       GLU  28   3.384  -4.290  -5.660
  214   1HG   GLU  28          HG2       GLU  28   0.954  -3.613  -5.218
  215   2HG   GLU  28          HG1       GLU  28   1.533  -1.946  -5.192
  216    H    LYS  29           HN       LYS  29   4.559  -5.797  -3.850
  217    HA   LYS  29           HA       LYS  29   2.721  -7.947  -4.190
  218   1HB   LYS  29          HB2       LYS  29   5.269  -7.789  -4.536
  219   2HB   LYS  29          HB1       LYS  29   5.407  -8.116  -2.809
  220   1HG   LYS  29          HG2       LYS  29   4.374 -10.250  -3.027
  221   2HG   LYS  29          HG1       LYS  29   3.803  -9.889  -4.657
  222   1HD   LYS  29          HD2       LYS  29   6.054  -9.924  -5.529
  223   2HD   LYS  29          HD1       LYS  29   6.735 -10.043  -3.906
  224   1HE   LYS  29          HE2       LYS  29   5.577 -12.249  -3.623
  225   2HE   LYS  29          HE1       LYS  29   5.042 -12.141  -5.312
  226   1HZ   LYS  29          HZ1       LYS  29   7.840 -12.135  -4.316
  227   2HZ   LYS  29          HZ2       LYS  29   7.408 -11.775  -5.919
  228   3HZ   LYS  29          HZ3       LYS  29   7.102 -13.319  -5.279
  229    H    VAL  30           HN       VAL  30   4.182  -6.568  -1.256
  230    HA   VAL  30           HA       VAL  30   2.830  -8.470   0.534
  231    HB   VAL  30           HB       VAL  30   4.435  -5.922   0.957
  232   1HG1  VAL  30          HG11      VAL  30   3.166  -6.216   2.947
  233   2HG1  VAL  30          HG12      VAL  30   4.729  -6.961   3.293
  234   3HG1  VAL  30          HG13      VAL  30   3.340  -7.972   2.891
  235   1HG2  VAL  30          HG21      VAL  30   5.443  -8.640   1.652
  236   2HG2  VAL  30          HG22      VAL  30   6.321  -7.239   1.039
  237   3HG2  VAL  30          HG23      VAL  30   5.362  -8.229  -0.061
  238    H    PHE  31           HN       PHE  31   2.606  -4.968  -0.188
  239    HA   PHE  31           HA       PHE  31   0.402  -4.386   1.529
  240   1HB   PHE  31          HB2       PHE  31   1.649  -3.196  -0.931
  241   2HB   PHE  31          HB1       PHE  31   0.129  -2.526  -0.344
  242    HD1  PHE  31           HD1      PHE  31   0.324  -2.679   2.553
  243    HD2  PHE  31           HD2      PHE  31   3.376  -1.746  -0.323
  244    HE1  PHE  31           HE1      PHE  31   1.557  -1.395   4.278
  245    HE2  PHE  31           HE2      PHE  31   4.609  -0.466   1.405
  246    HZ   PHE  31           HZ       PHE  31   3.701  -0.290   3.704
  247    H    LYS  32           HN       LYS  32   0.542  -5.703  -1.754
  248    HA   LYS  32           HA       LYS  32  -2.251  -5.415  -2.390
  249   1HB   LYS  32          HB2       LYS  32  -0.463  -5.889  -4.034
  250   2HB   LYS  32          HB1       LYS  32  -0.173  -7.455  -3.275
  251   1HG   LYS  32          HG2       LYS  32  -2.627  -7.987  -3.744
  252   2HG   LYS  32          HG1       LYS  32  -2.647  -6.546  -4.761
  253   1HD   LYS  32          HD2       LYS  32  -0.556  -7.575  -5.899
  254   2HD   LYS  32          HD1       LYS  32  -1.058  -9.081  -5.129
  255   1HE   LYS  32          HE2       LYS  32  -3.407  -8.535  -6.163
  256   2HE   LYS  32          HE1       LYS  32  -2.478  -7.487  -7.253
  257   1HZ   LYS  32          HZ1       LYS  32  -2.622  -9.753  -8.119
  258   2HZ   LYS  32          HZ2       LYS  32  -1.895 -10.350  -6.705
  259   3HZ   LYS  32          HZ3       LYS  32  -1.018  -9.340  -7.752
  260    H    GLN  33           HN       GLN  33  -0.347  -8.090  -0.976
  261    HA   GLN  33           HA       GLN  33  -2.504  -9.927  -0.592
  262   1HB   GLN  33          HB2       GLN  33   0.072 -10.192  -0.429
  263   2HB   GLN  33          HB1       GLN  33  -0.124  -9.638   1.233
  264   1HG   GLN  33          HG2       GLN  33  -1.722 -11.936   0.088
  265   2HG   GLN  33          HG1       GLN  33  -0.170 -12.170   0.894
  266   1HE2  GLN  33          HE21      GLN  33  -3.473 -12.131   1.485
  267   2HE2  GLN  33          HE22      GLN  33  -3.442 -11.793   3.148
  268    H    TYR  34           HN       TYR  34  -1.357  -7.200   1.238
  269    HA   TYR  34           HA       TYR  34  -2.837  -7.675   3.680
  270   1HB   TYR  34          HB2       TYR  34  -0.984  -6.219   3.815
  271   2HB   TYR  34          HB1       TYR  34  -1.409  -5.383   2.327
  272    HD1  TYR  34           HD1      TYR  34  -2.216  -5.761   5.918
  273    HD2  TYR  34           HD2      TYR  34  -2.937  -3.522   2.330
  274    HE1  TYR  34           HE1      TYR  34  -3.365  -4.004   7.246
  275    HE2  TYR  34           HE2      TYR  34  -4.087  -1.766   3.647
  276    HH   TYR  34           HH       TYR  34  -5.210  -2.190   6.682
  277    H    ALA  35           HN       ALA  35  -3.401  -5.443   0.929
  278    HA   ALA  35           HA       ALA  35  -6.008  -4.577   1.729
  279   1HB   ALA  35          HB1       ALA  35  -5.059  -3.245   0.092
  280   2HB   ALA  35          HB2       ALA  35  -6.049  -4.276  -0.942
  281   3HB   ALA  35          HB3       ALA  35  -4.329  -4.620  -0.744
  282    H    ASN  36           HN       ASN  36  -4.928  -7.307  -0.276
  283    HA   ASN  36           HA       ASN  36  -7.434  -8.166  -1.268
  284   1HB   ASN  36          HB2       ASN  36  -4.765  -9.391  -0.689
  285   2HB   ASN  36          HB1       ASN  36  -6.098 -10.463  -1.116
  286   1HD2  ASN  36          HD21      ASN  36  -3.768  -9.989  -2.818
  287   2HD2  ASN  36          HD22      ASN  36  -4.329  -9.252  -4.241
  288    H    ASP  37           HN       ASP  37  -5.865  -8.718   1.851
  289    HA   ASP  37           HA       ASP  37  -7.674 -10.775   2.792
  290   1HB   ASP  37          HB2       ASP  37  -5.354 -10.241   3.626
  291   2HB   ASP  37          HB1       ASP  37  -6.011  -8.777   4.359
  292    H    ASN  38           HN       ASN  38  -7.624  -7.231   3.030
  293    HA   ASN  38           HA       ASN  38 -10.040  -7.181   4.732
  294   1HB   ASN  38          HB2       ASN  38  -8.345  -5.030   3.418
  295   2HB   ASN  38          HB1       ASN  38  -9.624  -4.727   4.595
  296   1HD2  ASN  38          HD21      ASN  38  -6.335  -4.938   4.422
  297   2HD2  ASN  38          HD22      ASN  38  -5.995  -5.502   5.986
  298    H    GLY  39           HN       GLY  39  -9.144  -6.765   1.357
  299   1HA   GLY  39          HA2       GLY  39 -10.759  -7.061  -0.431
  300   2HA   GLY  39          HA1       GLY  39 -12.028  -6.520   0.669
  301    H    ILE  40           HN       ILE  40  -8.878  -4.972   0.098
  302    HA   ILE  40           HA       ILE  40 -10.310  -2.450  -0.551
  303    HB   ILE  40           HB       ILE  40  -7.420  -3.129   0.097
  304   1HG1  ILE  40          HG12      ILE  40  -9.581  -1.717   1.698
  305   2HG1  ILE  40          HG11      ILE  40  -9.077  -3.388   1.943
  306   1HG2  ILE  40          HG21      ILE  40  -8.780  -0.570  -0.696
  307   2HG2  ILE  40          HG22      ILE  40  -7.161  -1.143  -1.110
  308   3HG2  ILE  40          HG23      ILE  40  -7.488  -0.502   0.502
  309   1HD1  ILE  40          HD11      ILE  40  -7.010  -1.209   2.003
  310   2HD1  ILE  40          HD12      ILE  40  -6.999  -2.776   2.811
  311   3HD1  ILE  40          HD13      ILE  40  -8.028  -1.478   3.418
  312    H    ASP  41           HN       ASP  41 -10.821  -3.759  -2.702
  313    HA   ASP  41           HA       ASP  41  -8.606  -3.740  -4.664
  314   1HB   ASP  41          HB2       ASP  41 -11.568  -4.407  -4.791
  315   2HB   ASP  41          HB1       ASP  41 -10.449  -4.619  -6.138
  316    H    GLY  42           HN       GLY  42  -8.839  -1.204  -3.786
  317   1HA   GLY  42          HA2       GLY  42 -10.787   0.343  -5.323
  318   2HA   GLY  42          HA1       GLY  42  -9.526   0.989  -4.270
  319    H    GLU  43           HN       GLU  43  -8.502   2.405  -5.589
  320    HA   GLU  43           HA       GLU  43  -7.422   1.368  -8.144
  321   1HB   GLU  43          HB2       GLU  43  -7.514   3.732  -8.908
  322   2HB   GLU  43          HB1       GLU  43  -9.101   3.144  -8.424
  323   1HG   GLU  43          HG2       GLU  43  -9.257   4.873  -6.992
  324   2HG   GLU  43          HG1       GLU  43  -7.920   4.192  -6.072
  325    H    TRP  44           HN       TRP  44  -5.369   0.766  -7.622
  326    HA   TRP  44           HA       TRP  44  -3.815   2.047  -5.584
  327   1HB   TRP  44          HB2       TRP  44  -3.345  -0.037  -7.693
  328   2HB   TRP  44          HB1       TRP  44  -2.026   0.525  -6.658
  329    HD1  TRP  44           HD1      TRP  44  -5.640  -0.794  -6.268
  330    HE1  TRP  44           HE1      TRP  44  -5.758  -2.146  -4.071
  331    HE3  TRP  44           HE3      TRP  44  -0.875  -0.125  -4.558
  332    HZ2  TRP  44           HZ2      TRP  44  -4.060  -2.825  -1.876
  333    HZ3  TRP  44           HZ3      TRP  44  -0.151  -1.136  -2.416
  334    HH2  TRP  44           HH2      TRP  44  -1.736  -2.490  -1.074
  335    H    THR  45           HN       THR  45  -2.131   3.426  -5.731
  336    HA   THR  45           HA       THR  45  -1.067   4.327  -8.326
  337    HB   THR  45           HB       THR  45  -1.601   6.736  -7.562
  338    HG1  THR  45           HG1      THR  45  -2.767   6.934  -5.841
  339   1HG2  THR  45          HG21      THR  45  -3.567   6.735  -8.825
  340   2HG2  THR  45          HG22      THR  45  -4.102   5.187  -8.171
  341   3HG2  THR  45          HG23      THR  45  -2.794   5.241  -9.352
  342    H    TYR  46           HN       TYR  46   1.080   4.732  -8.007
  343    HA   TYR  46           HA       TYR  46   2.076   4.796  -5.200
  344   1HB   TYR  46          HB2       TYR  46   2.945   3.020  -6.543
  345   2HB   TYR  46          HB1       TYR  46   3.193   4.079  -7.925
  346    HD1  TYR  46           HD1      TYR  46   5.114   5.577  -8.043
  347    HD2  TYR  46           HD2      TYR  46   4.529   2.993  -4.662
  348    HE1  TYR  46           HE1      TYR  46   7.458   5.961  -7.341
  349    HE2  TYR  46           HE2      TYR  46   6.867   3.375  -3.962
  350    HH   TYR  46           HH       TYR  46   9.193   4.439  -5.837
  351    H    ASP  47           HN       ASP  47   2.934   6.669  -4.397
  352    HA   ASP  47           HA       ASP  47   3.315   8.988  -6.235
  353   1HB   ASP  47          HB2       ASP  47   2.653   8.524  -3.356
  354   2HB   ASP  47          HB1       ASP  47   3.492  10.021  -3.766
  355    H    ASP  48           HN       ASP  48   5.398   9.311  -6.882
  356    HA   ASP  48           HA       ASP  48   7.683   8.072  -5.590
  357   1HB   ASP  48          HB2       ASP  48   7.410   8.596  -8.027
  358   2HB   ASP  48          HB1       ASP  48   7.542  10.310  -7.632
  359    H    ALA  49           HN       ALA  49   5.956  10.994  -4.957
  360    HA   ALA  49           HA       ALA  49   7.962  12.787  -4.135
  361   1HB   ALA  49          HB1       ALA  49   6.139  13.734  -2.738
  362   2HB   ALA  49          HB2       ALA  49   5.209  12.255  -2.978
  363   3HB   ALA  49          HB3       ALA  49   5.565  13.305  -4.350
  364    H    THR  50           HN       THR  50   6.364  10.189  -2.280
  365    HA   THR  50           HA       THR  50   8.687  10.132  -0.420
  366    HB   THR  50           HB       THR  50   7.126  10.262   1.508
  367    HG1  THR  50           HG1      THR  50   5.197  10.847  -0.485
  368   1HG2  THR  50          HG21      THR  50   6.661  12.585  -0.375
  369   2HG2  THR  50          HG22      THR  50   8.185  12.321   0.472
  370   3HG2  THR  50          HG23      THR  50   6.709  12.624   1.388
  371    H    LYS  51           HN       LYS  51   7.321   8.339  -2.526
  372    HA   LYS  51           HA       LYS  51   6.775   6.054  -2.780
  373   1HB   LYS  51          HB2       LYS  51   8.917   6.436  -0.889
  374   2HB   LYS  51          HB1       LYS  51   7.968   5.037  -0.392
  375   1HG   LYS  51          HG2       LYS  51   9.266   3.931  -1.904
  376   2HG   LYS  51          HG1       LYS  51   8.127   4.597  -3.075
  377   1HD   LYS  51          HD2       LYS  51  10.377   5.099  -3.835
  378   2HD   LYS  51          HD1       LYS  51   9.626   6.602  -3.295
  379   1HE   LYS  51          HE2       LYS  51  10.995   6.778  -1.437
  380   2HE   LYS  51          HE1       LYS  51  11.167   5.019  -1.271
  381   1HZ   LYS  51          HZ1       LYS  51  12.394   6.753  -3.347
  382   2HZ   LYS  51          HZ2       LYS  51  12.404   5.055  -3.412
  383   3HZ   LYS  51          HZ3       LYS  51  13.203   5.865  -2.150
  384    H    THR  52           HN       THR  52   4.482   6.148  -2.423
  385    HA   THR  52           HA       THR  52   3.607   4.888   0.101
  386    HB   THR  52           HB       THR  52   2.641   7.619  -0.802
  387    HG1  THR  52           HG1      THR  52   4.158   6.867   1.469
  388   1HG2  THR  52          HG21      THR  52   2.032   6.121   1.756
  389   2HG2  THR  52          HG22      THR  52   0.962   6.122   0.354
  390   3HG2  THR  52          HG23      THR  52   1.309   7.630   1.201
  391    H    PHE  53           HN       PHE  53   2.562   3.185  -0.945
  392    HA   PHE  53           HA       PHE  53   1.104   3.359  -3.415
  393   1HB   PHE  53          HB2       PHE  53   0.992   1.475  -1.035
  394   2HB   PHE  53          HB1       PHE  53   0.143   1.169  -2.550
  395    HD1  PHE  53           HD1      PHE  53   1.385   0.729  -4.629
  396    HD2  PHE  53           HD2      PHE  53   3.413   1.317  -0.889
  397    HE1  PHE  53           HE1      PHE  53   3.460  -0.213  -5.606
  398    HE2  PHE  53           HE2      PHE  53   5.487   0.374  -1.863
  399    HZ   PHE  53           HZ       PHE  53   5.511  -0.391  -4.224
  400    H    THR  54           HN       THR  54  -0.986   4.112  -3.786
  401    HA   THR  54           HA       THR  54  -2.634   4.746  -1.347
  402    HB   THR  54           HB       THR  54  -2.387   6.231  -3.977
  403    HG1  THR  54           HG1      THR  54  -1.320   7.755  -2.571
  404   1HG2  THR  54          HG21      THR  54  -3.473   7.577  -1.589
  405   2HG2  THR  54          HG22      THR  54  -4.499   6.295  -2.233
  406   3HG2  THR  54          HG23      THR  54  -4.018   7.642  -3.264
  407    H    VAL  55           HN       VAL  55  -4.168   3.032  -1.415
  408    HA   VAL  55           HA       VAL  55  -5.652   2.631  -3.940
  409    HB   VAL  55           HB       VAL  55  -4.676   0.626  -2.781
  410   1HG1  VAL  55          HG11      VAL  55  -6.768   1.132  -0.677
  411   2HG1  VAL  55          HG12      VAL  55  -5.075   1.580  -0.451
  412   3HG1  VAL  55          HG13      VAL  55  -5.516  -0.118  -0.673
  413   1HG2  VAL  55          HG21      VAL  55  -7.693   0.632  -2.712
  414   2HG2  VAL  55          HG22      VAL  55  -6.635  -0.748  -2.994
  415   3HG2  VAL  55          HG23      VAL  55  -6.754   0.532  -4.201
  416    H    THR  56           HN       THR  56  -8.073   2.355  -3.618
  417    HA   THR  56           HA       THR  56  -9.291   3.657  -1.289
  418    HB   THR  56           HB       THR  56  -9.265   4.880  -4.061
  419    HG1  THR  56           HG1      THR  56  -7.559   5.787  -3.276
  420   1HG2  THR  56          HG21      THR  56 -10.331   6.496  -1.864
  421   2HG2  THR  56          HG22      THR  56 -11.292   5.048  -2.166
  422   3HG2  THR  56          HG23      THR  56 -11.005   6.202  -3.467
  423    H    GLU  57           HN       GLU  57 -10.892   2.120  -1.011
  424    HA   GLU  57           HA       GLU  57 -12.178   0.773  -3.278
  425   1HB   GLU  57          HB2       GLU  57 -11.573  -0.031  -0.842
  426   2HB   GLU  57          HB1       GLU  57 -13.123   0.700  -0.423
  427   1HG   GLU  57          HG2       GLU  57 -13.893  -0.684  -2.596
  428   2HG   GLU  57          HG1       GLU  57 -12.551  -1.706  -2.082
  Start of MODEL   14
    1   1H    MET   1          HT1       MET   1  17.619  -2.434   4.537
    2   2H    MET   1          HT2       MET   1  16.432  -1.404   5.182
    3   3H    MET   1          HT3       MET   1  17.339  -0.919   3.829
    4    HA   MET   1           HA       MET   1  16.348  -2.806   2.560
    5   1HB   MET   1          HB2       MET   1  14.919  -2.966   5.223
    6   2HB   MET   1          HB1       MET   1  14.265  -3.713   3.765
    7   1HG   MET   1          HG2       MET   1  16.616  -4.800   3.537
    8   2HG   MET   1          HG1       MET   1  16.811  -4.373   5.236
    9   1HE   MET   1          HE1       MET   1  13.964  -7.381   3.316
   10   2HE   MET   1          HE2       MET   1  15.302  -6.494   2.589
   11   3HE   MET   1          HE3       MET   1  13.799  -5.655   2.967
   12    H    THR   2           HN       THR   2  14.268  -2.408   1.426
   13    HA   THR   2           HA       THR   2  13.547   0.443   1.447
   14    HB   THR   2           HB       THR   2  12.517  -1.916  -0.164
   15    HG1  THR   2           HG1      THR   2  14.682  -1.717  -0.517
   16   1HG2  THR   2          HG21      THR   2  11.797  -0.235  -1.766
   17   2HG2  THR   2          HG22      THR   2  12.484   1.052  -0.773
   18   3HG2  THR   2          HG23      THR   2  11.091   0.135  -0.191
   19    H    THR   3           HN       THR   3  11.887   1.213   2.693
   20    HA   THR   3           HA       THR   3   9.789  -0.676   3.592
   21    HB   THR   3           HB       THR   3  10.666   1.919   4.865
   22    HG1  THR   3           HG1      THR   3  12.150   0.813   5.938
   23   1HG2  THR   3          HG21      THR   3   9.035  -0.457   5.778
   24   2HG2  THR   3          HG22      THR   3   8.526   1.228   5.674
   25   3HG2  THR   3          HG23      THR   3   9.694   0.734   6.900
   26    H    PHE   4           HN       PHE   4   8.140  -0.348   2.080
   27    HA   PHE   4           HA       PHE   4   7.448   2.344   1.117
   28   1HB   PHE   4          HB2       PHE   4   6.269  -0.431   0.802
   29   2HB   PHE   4          HB1       PHE   4   5.632   0.988  -0.024
   30    HD1  PHE   4           HD1      PHE   4   7.027   2.185  -1.705
   31    HD2  PHE   4           HD2      PHE   4   8.308  -1.477   0.135
   32    HE1  PHE   4           HE1      PHE   4   8.730   1.886  -3.484
   33    HE2  PHE   4           HE2      PHE   4  10.012  -1.776  -1.637
   34    HZ   PHE   4           HZ       PHE   4  10.221  -0.094  -3.449
   35    H    LYS   5           HN       LYS   5   4.828   2.652   1.181
   36    HA   LYS   5           HA       LYS   5   3.705   1.944   3.836
   37   1HB   LYS   5          HB2       LYS   5   5.163   3.999   4.040
   38   2HB   LYS   5          HB1       LYS   5   4.070   4.812   2.919
   39   1HG   LYS   5          HG2       LYS   5   2.179   4.327   4.481
   40   2HG   LYS   5          HG1       LYS   5   3.341   3.653   5.624
   41   1HD   LYS   5          HD2       LYS   5   4.527   5.816   5.701
   42   2HD   LYS   5          HD1       LYS   5   3.363   6.494   4.562
   43   1HE   LYS   5          HE2       LYS   5   1.533   6.094   6.173
   44   2HE   LYS   5          HE1       LYS   5   2.697   5.406   7.323
   45   1HZ   LYS   5          HZ1       LYS   5   2.952   8.113   6.130
   46   2HZ   LYS   5          HZ2       LYS   5   3.902   7.446   7.370
   47   3HZ   LYS   5          HZ3       LYS   5   2.269   7.822   7.654
   48    H    LEU   6           HN       LEU   6   1.688   1.207   3.237
   49    HA   LEU   6           HA       LEU   6   0.315   2.391   0.886
   50   1HB   LEU   6          HB2       LEU   6   0.455  -0.048   1.124
   51   2HB   LEU   6          HB1       LEU   6  -0.289   0.040   2.719
   52    HG   LEU   6           HG       LEU   6  -2.270   1.209   1.476
   53   1HD1  LEU   6          HD11      LEU   6  -1.306   1.586  -0.671
   54   2HD1  LEU   6          HD12      LEU   6  -2.462   0.272  -0.889
   55   3HD1  LEU   6          HD13      LEU   6  -0.735  -0.079  -0.783
   56   1HD2  LEU   6          HD21      LEU   6  -2.930  -1.245   0.616
   57   2HD2  LEU   6          HD22      LEU   6  -2.881  -0.839   2.333
   58   3HD2  LEU   6          HD23      LEU   6  -1.519  -1.674   1.583
   59    H    ILE   7           HN       ILE   7  -1.552   3.620   1.057
   60    HA   ILE   7           HA       ILE   7  -2.328   4.542   3.764
   61    HB   ILE   7           HB       ILE   7  -1.884   5.932   1.552
   62   1HG1  ILE   7          HG12      ILE   7  -3.726   7.556   2.324
   63   2HG1  ILE   7          HG11      ILE   7  -4.107   6.340   3.544
   64   1HG2  ILE   7          HG21      ILE   7  -3.747   6.315   0.131
   65   2HG2  ILE   7          HG22      ILE   7  -4.846   5.451   1.203
   66   3HG2  ILE   7          HG23      ILE   7  -3.637   4.562   0.278
   67   1HD1  ILE   7          HD11      ILE   7  -2.324   8.268   4.019
   68   2HD1  ILE   7          HD12      ILE   7  -1.244   7.129   3.214
   69   3HD1  ILE   7          HD13      ILE   7  -2.113   6.643   4.670
   70    H    ILE   8           HN       ILE   8  -4.779   4.582   4.215
   71    HA   ILE   8           HA       ILE   8  -6.097   2.198   2.954
   72    HB   ILE   8           HB       ILE   8  -6.087   3.129   5.839
   73   1HG1  ILE   8          HG12      ILE   8  -3.955   2.105   5.096
   74   2HG1  ILE   8          HG11      ILE   8  -4.789   1.080   6.259
   75   1HG2  ILE   8          HG21      ILE   8  -8.213   1.998   4.962
   76   2HG2  ILE   8          HG22      ILE   8  -7.446   1.254   6.363
   77   3HG2  ILE   8          HG23      ILE   8  -7.231   0.547   4.763
   78   1HD1  ILE   8          HD11      ILE   8  -5.708  -0.261   4.371
   79   2HD1  ILE   8          HD12      ILE   8  -3.945  -0.281   4.411
   80   3HD1  ILE   8          HD13      ILE   8  -4.788   0.735   3.244
   81    H    ASN   9           HN       ASN   9  -7.072   3.956   1.546
   82    HA   ASN   9           HA       ASN   9  -9.153   5.590   2.925
   83   1HB   ASN   9          HB2       ASN   9  -7.503   5.742   0.502
   84   2HB   ASN   9          HB1       ASN   9  -9.195   6.118   0.184
   85   1HD2  ASN   9          HD21      ASN   9  -6.765   7.955   0.337
   86   2HD2  ASN   9          HD22      ASN   9  -7.195   9.138   1.475
   87    H    GLY  10           HN       GLY  10  -9.689   2.901   3.030
   88   1HA   GLY  10          HA2       GLY  10 -11.700   2.443   0.863
   89   2HA   GLY  10          HA1       GLY  10 -10.893   1.147   1.749
   90    H    LYS  11           HN       LYS  11 -13.696   1.331   1.572
   91    HA   LYS  11           HA       LYS  11 -14.806   2.550   3.981
   92   1HB   LYS  11          HB2       LYS  11 -15.980   2.145   1.784
   93   2HB   LYS  11          HB1       LYS  11 -15.938   0.418   2.142
   94   1HG   LYS  11          HG2       LYS  11 -16.977   1.430   4.474
   95   2HG   LYS  11          HG1       LYS  11 -17.655   2.535   3.279
   96   1HD   LYS  11          HD2       LYS  11 -19.198   0.696   3.513
   97   2HD   LYS  11          HD1       LYS  11 -18.391   0.512   1.955
   98   1HE   LYS  11          HE2       LYS  11 -16.901  -1.180   2.843
   99   2HE   LYS  11          HE1       LYS  11 -17.489  -0.894   4.493
  100   1HZ   LYS  11          HZ1       LYS  11 -19.049  -1.914   2.182
  101   2HZ   LYS  11          HZ2       LYS  11 -19.755  -1.415   3.645
  102   3HZ   LYS  11          HZ3       LYS  11 -18.692  -2.740   3.620
  103    H    THR  12           HN       THR  12 -13.081  -0.372   3.350
  104    HA   THR  12           HA       THR  12 -14.355  -1.885   5.548
  105    HB   THR  12           HB       THR  12 -11.966  -2.508   3.781
  106    HG1  THR  12           HG1      THR  12 -13.347  -3.089   2.301
  107   1HG2  THR  12          HG21      THR  12 -12.646  -3.805   6.018
  108   2HG2  THR  12          HG22      THR  12 -12.063  -4.661   4.590
  109   3HG2  THR  12          HG23      THR  12 -13.794  -4.572   4.919
  110    H    LEU  13           HN       LEU  13 -11.419  -0.034   4.874
  111    HA   LEU  13           HA       LEU  13 -10.678  -0.283   7.763
  112   1HB   LEU  13          HB2       LEU  13  -9.053  -0.927   5.303
  113   2HB   LEU  13          HB1       LEU  13  -8.263  -0.486   6.817
  114    HG   LEU  13           HG       LEU  13 -10.379  -2.630   6.755
  115   1HD1  LEU  13          HD11      LEU  13  -8.351  -2.966   5.112
  116   2HD1  LEU  13          HD12      LEU  13  -8.836  -4.285   6.179
  117   3HD1  LEU  13          HD13      LEU  13  -7.450  -3.277   6.596
  118   1HD2  LEU  13          HD21      LEU  13  -9.404  -1.494   8.878
  119   2HD2  LEU  13          HD22      LEU  13  -7.939  -2.407   8.516
  120   3HD2  LEU  13          HD23      LEU  13  -9.452  -3.256   8.836
  121    H    LYS  14           HN       LYS  14  -8.994   1.406   8.340
  122    HA   LYS  14           HA       LYS  14  -8.809   3.741   6.530
  123   1HB   LYS  14          HB2       LYS  14 -10.595   3.469   8.888
  124   2HB   LYS  14          HB1       LYS  14  -9.700   4.985   8.782
  125   1HG   LYS  14          HG2       LYS  14 -10.507   4.855   6.240
  126   2HG   LYS  14          HG1       LYS  14 -11.798   3.892   6.959
  127   1HD   LYS  14          HD2       LYS  14 -12.665   5.670   8.129
  128   2HD   LYS  14          HD1       LYS  14 -11.089   6.435   8.338
  129   1HE   LYS  14          HE2       LYS  14 -12.226   6.253   5.564
  130   2HE   LYS  14          HE1       LYS  14 -12.848   7.498   6.666
  131   1HZ   LYS  14          HZ1       LYS  14  -9.971   6.991   6.115
  132   2HZ   LYS  14          HZ2       LYS  14 -10.602   8.209   7.118
  133   3HZ   LYS  14          HZ3       LYS  14 -10.875   8.258   5.442
  134    H    GLY  15           HN       GLY  15  -6.819   4.689   6.840
  135   1HA   GLY  15          HA2       GLY  15  -5.363   5.609   8.795
  136   2HA   GLY  15          HA1       GLY  15  -5.277   3.912   9.267
  137    H    GLU  16           HN       GLU  16  -3.352   3.055   8.665
  138    HA   GLU  16           HA       GLU  16  -2.462   3.157   5.883
  139   1HB   GLU  16          HB2       GLU  16  -0.363   4.384   6.400
  140   2HB   GLU  16          HB1       GLU  16  -1.786   5.376   6.710
  141   1HG   GLU  16          HG2       GLU  16  -1.542   4.295   9.147
  142   2HG   GLU  16          HG1       GLU  16   0.144   4.170   8.644
  143    H    THR  17           HN       THR  17  -0.215   2.038   5.730
  144    HA   THR  17           HA       THR  17   0.427   0.248   8.003
  145    HB   THR  17           HB       THR  17  -0.365  -0.818   5.277
  146    HG1  THR  17           HG1      THR  17  -1.850  -0.795   7.691
  147   1HG2  THR  17          HG21      THR  17   0.221  -2.089   7.960
  148   2HG2  THR  17          HG22      THR  17   1.096  -2.325   6.447
  149   3HG2  THR  17          HG23      THR  17  -0.541  -2.954   6.625
  150    H    THR  18           HN       THR  18   2.451  -0.970   7.573
  151    HA   THR  18           HA       THR  18   4.083   0.092   5.300
  152    HB   THR  18           HB       THR  18   5.939   0.255   7.091
  153    HG1  THR  18           HG1      THR  18   4.656  -0.928   8.642
  154   1HG2  THR  18          HG21      THR  18   4.666   2.180   6.049
  155   2HG2  THR  18          HG22      THR  18   5.294   2.496   7.666
  156   3HG2  THR  18          HG23      THR  18   3.585   2.124   7.441
  157    H    THR  19           HN       THR  19   6.199  -1.231   5.156
  158    HA   THR  19           HA       THR  19   6.165  -3.924   6.325
  159    HB   THR  19           HB       THR  19   4.471  -4.085   4.547
  160    HG1  THR  19           HG1      THR  19   6.895  -5.273   3.693
  161   1HG2  THR  19          HG21      THR  19   4.937  -3.562   2.260
  162   2HG2  THR  19          HG22      THR  19   6.655  -3.340   2.591
  163   3HG2  THR  19          HG23      THR  19   5.482  -2.173   3.200
  164    H    GLU  20           HN       GLU  20   8.085  -5.191   5.559
  165    HA   GLU  20           HA       GLU  20  10.353  -3.365   4.892
  166   1HB   GLU  20          HB2       GLU  20   9.931  -5.919   6.391
  167   2HB   GLU  20          HB1       GLU  20  11.517  -5.647   5.668
  168   1HG   GLU  20          HG2       GLU  20  11.668  -3.467   6.822
  169   2HG   GLU  20          HG1       GLU  20  10.091  -3.753   7.558
  170    H    ALA  21           HN       ALA  21  10.147  -3.326   2.581
  171    HA   ALA  21           HA       ALA  21  10.517  -5.972   1.212
  172   1HB   ALA  21          HB1       ALA  21   8.511  -5.165   0.385
  173   2HB   ALA  21          HB2       ALA  21   9.612  -4.360  -0.733
  174   3HB   ALA  21          HB3       ALA  21   8.963  -3.481   0.652
  175    H    VAL  22           HN       VAL  22  11.445  -5.241  -1.193
  176    HA   VAL  22           HA       VAL  22  13.987  -3.768  -0.600
  177    HB   VAL  22           HB       VAL  22  14.190  -6.172  -1.112
  178   1HG1  VAL  22          HG11      VAL  22  12.658  -5.388  -3.600
  179   2HG1  VAL  22          HG12      VAL  22  12.232  -6.614  -2.407
  180   3HG1  VAL  22          HG13      VAL  22  13.595  -6.878  -3.494
  181   1HG2  VAL  22          HG21      VAL  22  16.004  -5.918  -2.509
  182   2HG2  VAL  22          HG22      VAL  22  15.712  -4.217  -2.144
  183   3HG2  VAL  22          HG23      VAL  22  15.115  -4.910  -3.652
  184    H    ASP  23           HN       ASP  23  11.196  -3.967  -2.715
  185    HA   ASP  23           HA       ASP  23  11.731  -1.321  -3.824
  186   1HB   ASP  23          HB2       ASP  23  13.168  -3.221  -4.997
  187   2HB   ASP  23          HB1       ASP  23  11.655  -3.528  -5.851
  188    H    ALA  24           HN       ALA  24  10.017  -0.977  -5.716
  189    HA   ALA  24           HA       ALA  24   7.414  -1.299  -4.685
  190   1HB   ALA  24          HB1       ALA  24   6.799  -0.170  -6.614
  191   2HB   ALA  24          HB2       ALA  24   7.868  -1.132  -7.635
  192   3HB   ALA  24          HB3       ALA  24   8.533   0.151  -6.624
  193    H    ALA  25           HN       ALA  25   9.343  -3.480  -6.637
  194    HA   ALA  25           HA       ALA  25   7.310  -5.131  -7.758
  195   1HB   ALA  25          HB1       ALA  25   9.347  -6.851  -7.363
  196   2HB   ALA  25          HB2       ALA  25  10.195  -5.341  -7.029
  197   3HB   ALA  25          HB3       ALA  25   9.413  -5.586  -8.591
  198    H    THR  26           HN       THR  26   9.021  -5.400  -4.626
  199    HA   THR  26           HA       THR  26   7.344  -7.684  -3.799
  200    HB   THR  26           HB       THR  26   9.339  -6.088  -2.177
  201    HG1  THR  26           HG1      THR  26   9.819  -8.204  -4.003
  202   1HG2  THR  26          HG21      THR  26   8.164  -7.718  -0.872
  203   2HG2  THR  26          HG22      THR  26   9.744  -8.413  -1.234
  204   3HG2  THR  26          HG23      THR  26   8.322  -8.936  -2.137
  205    H    ALA  27           HN       ALA  27   7.549  -4.215  -3.262
  206    HA   ALA  27           HA       ALA  27   5.970  -4.026  -0.873
  207   1HB   ALA  27          HB1       ALA  27   7.437  -2.340  -2.346
  208   2HB   ALA  27          HB2       ALA  27   6.164  -1.755  -1.275
  209   3HB   ALA  27          HB3       ALA  27   5.853  -1.932  -3.001
  210    H    GLU  28           HN       GLU  28   4.944  -3.224  -4.213
  211    HA   GLU  28           HA       GLU  28   2.148  -3.119  -3.696
  212   1HB   GLU  28          HB2       GLU  28   3.854  -2.682  -5.800
  213   2HB   GLU  28          HB1       GLU  28   3.021  -4.143  -6.334
  214   1HG   GLU  28          HG2       GLU  28   0.850  -3.065  -5.998
  215   2HG   GLU  28          HG1       GLU  28   1.641  -1.620  -5.370
  216    H    LYS  29           HN       LYS  29   4.175  -5.869  -4.765
  217    HA   LYS  29           HA       LYS  29   2.144  -7.802  -5.178
  218   1HB   LYS  29          HB2       LYS  29   4.619  -7.955  -5.656
  219   2HB   LYS  29          HB1       LYS  29   4.879  -8.223  -3.932
  220   1HG   LYS  29          HG2       LYS  29   3.153 -10.141  -4.182
  221   2HG   LYS  29          HG1       LYS  29   3.457  -9.994  -5.914
  222   1HD   LYS  29          HD2       LYS  29   5.609 -10.788  -5.746
  223   2HD   LYS  29          HD1       LYS  29   5.841 -10.119  -4.130
  224   1HE   LYS  29          HE2       LYS  29   4.170 -11.887  -3.309
  225   2HE   LYS  29          HE1       LYS  29   4.372 -12.654  -4.897
  226   1HZ   LYS  29          HZ1       LYS  29   6.798 -12.554  -4.538
  227   2HZ   LYS  29          HZ2       LYS  29   6.009 -13.545  -3.405
  228   3HZ   LYS  29          HZ3       LYS  29   6.527 -11.988  -2.962
  229    H    VAL  30           HN       VAL  30   3.754  -6.801  -2.174
  230    HA   VAL  30           HA       VAL  30   2.292  -8.737  -0.517
  231    HB   VAL  30           HB       VAL  30   4.098  -6.361   0.057
  232   1HG1  VAL  30          HG11      VAL  30   2.847  -6.661   2.051
  233   2HG1  VAL  30          HG12      VAL  30   4.331  -7.576   2.318
  234   3HG1  VAL  30          HG13      VAL  30   2.844  -8.418   1.882
  235   1HG2  VAL  30          HG21      VAL  30   4.921  -8.525  -1.158
  236   2HG2  VAL  30          HG22      VAL  30   4.768  -9.272   0.433
  237   3HG2  VAL  30          HG23      VAL  30   5.859  -7.905   0.201
  238    H    PHE  31           HN       PHE  31   2.315  -5.175  -0.899
  239    HA   PHE  31           HA       PHE  31   0.169  -4.638   0.912
  240   1HB   PHE  31          HB2       PHE  31   1.583  -3.256  -1.330
  241   2HB   PHE  31          HB1       PHE  31   0.064  -2.554  -0.771
  242    HD1  PHE  31           HD1      PHE  31  -0.029  -2.919   2.053
  243    HD2  PHE  31           HD2      PHE  31   3.404  -2.132  -0.405
  244    HE1  PHE  31           HE1      PHE  31   1.139  -1.930   4.003
  245    HE2  PHE  31           HE2      PHE  31   4.572  -1.145   1.547
  246    HZ   PHE  31           HZ       PHE  31   3.441  -1.044   3.750
  247    H    LYS  32           HN       LYS  32   0.188  -5.504  -2.531
  248    HA   LYS  32           HA       LYS  32  -2.572  -4.899  -3.068
  249   1HB   LYS  32          HB2       LYS  32  -0.491  -6.747  -4.248
  250   2HB   LYS  32          HB1       LYS  32  -2.129  -6.697  -4.893
  251   1HG   LYS  32          HG2       LYS  32  -1.944  -4.352  -5.410
  252   2HG   LYS  32          HG1       LYS  32  -0.406  -4.230  -4.554
  253   1HD   LYS  32          HD2       LYS  32   0.778  -5.211  -6.258
  254   2HD   LYS  32          HD1       LYS  32  -0.562  -6.259  -6.724
  255   1HE   LYS  32          HE2       LYS  32  -0.761  -3.280  -7.162
  256   2HE   LYS  32          HE1       LYS  32   0.076  -4.310  -8.341
  257   1HZ   LYS  32          HZ1       LYS  32  -1.854  -5.723  -8.470
  258   2HZ   LYS  32          HZ2       LYS  32  -2.319  -4.124  -8.805
  259   3HZ   LYS  32          HZ3       LYS  32  -2.658  -4.811  -7.288
  260    H    GLN  33           HN       GLN  33  -0.908  -7.899  -2.057
  261    HA   GLN  33           HA       GLN  33  -3.216  -9.580  -1.916
  262   1HB   GLN  33          HB2       GLN  33  -0.840 -10.319  -1.885
  263   2HB   GLN  33          HB1       GLN  33  -0.660  -9.608  -0.281
  264   1HG   GLN  33          HG2       GLN  33  -1.094 -11.906   0.128
  265   2HG   GLN  33          HG1       GLN  33  -2.638 -11.102   0.414
  266   1HE2  GLN  33          HE21      GLN  33  -4.406 -11.804  -0.829
  267   2HE2  GLN  33          HE22      GLN  33  -4.284 -12.847  -2.163
  268    H    TYR  34           HN       TYR  34  -1.841  -7.256   0.284
  269    HA   TYR  34           HA       TYR  34  -3.387  -7.938   2.631
  270   1HB   TYR  34          HB2       TYR  34  -1.404  -6.674   2.940
  271   2HB   TYR  34          HB1       TYR  34  -1.788  -5.575   1.621
  272    HD1  TYR  34           HD1      TYR  34  -3.189  -3.648   1.965
  273    HD2  TYR  34           HD2      TYR  34  -2.568  -6.488   5.122
  274    HE1  TYR  34           HE1      TYR  34  -4.199  -2.063   3.578
  275    HE2  TYR  34           HE2      TYR  34  -3.580  -4.905   6.746
  276    HH   TYR  34           HH       TYR  34  -4.186  -1.621   5.973
  277    H    ALA  35           HN       ALA  35  -3.734  -5.323   0.201
  278    HA   ALA  35           HA       ALA  35  -6.282  -4.372   1.119
  279   1HB   ALA  35          HB1       ALA  35  -5.255  -2.868  -0.294
  280   2HB   ALA  35          HB2       ALA  35  -6.219  -3.709  -1.509
  281   3HB   ALA  35          HB3       ALA  35  -4.525  -4.142  -1.275
  282    H    ASN  36           HN       ASN  36  -5.414  -6.630  -1.517
  283    HA   ASN  36           HA       ASN  36  -8.011  -7.209  -2.460
  284   1HB   ASN  36          HB2       ASN  36  -5.613  -7.837  -3.286
  285   2HB   ASN  36          HB1       ASN  36  -5.817  -9.263  -2.267
  286   1HD2  ASN  36          HD21      ASN  36  -7.687  -7.440  -4.771
  287   2HD2  ASN  36          HD22      ASN  36  -8.324  -8.829  -5.509
  288    H    ASP  37           HN       ASP  37  -6.303  -8.367   0.382
  289    HA   ASP  37           HA       ASP  37  -8.107 -10.599   0.931
  290   1HB   ASP  37          HB2       ASP  37  -5.783  -9.206   2.172
  291   2HB   ASP  37          HB1       ASP  37  -6.826 -10.121   3.260
  292    H    ASN  38           HN       ASN  38  -7.640  -7.331   2.321
  293    HA   ASN  38           HA       ASN  38  -9.927  -7.560   4.118
  294   1HB   ASN  38          HB2       ASN  38  -8.193  -5.265   3.152
  295   2HB   ASN  38          HB1       ASN  38  -9.410  -5.103   4.418
  296   1HD2  ASN  38          HD21      ASN  38  -6.152  -6.036   3.793
  297   2HD2  ASN  38          HD22      ASN  38  -5.811  -6.690   5.322
  298    H    GLY  39           HN       GLY  39  -9.304  -5.908   1.013
  299   1HA   GLY  39          HA2       GLY  39 -11.281  -6.044  -0.588
  300   2HA   GLY  39          HA1       GLY  39 -12.251  -5.460   0.764
  301    H    ILE  40           HN       ILE  40  -9.076  -4.443  -0.559
  302    HA   ILE  40           HA       ILE  40 -10.212  -1.676  -0.800
  303    HB   ILE  40           HB       ILE  40  -7.444  -2.613   0.028
  304   1HG1  ILE  40          HG12      ILE  40  -9.620  -1.154   1.561
  305   2HG1  ILE  40          HG11      ILE  40  -9.258  -2.871   1.722
  306   1HG2  ILE  40          HG21      ILE  40  -7.105  -0.554  -1.147
  307   2HG2  ILE  40          HG22      ILE  40  -7.198  -0.100   0.556
  308   3HG2  ILE  40          HG23      ILE  40  -8.594   0.139  -0.493
  309   1HD1  ILE  40          HD11      ILE  40  -7.208  -2.478   2.770
  310   2HD1  ILE  40          HD12      ILE  40  -8.192  -1.157   3.404
  311   3HD1  ILE  40          HD13      ILE  40  -7.057  -0.858   2.088
  312    H    ASP  41           HN       ASP  41 -10.688  -2.569  -3.061
  313    HA   ASP  41           HA       ASP  41  -8.289  -2.677  -4.832
  314   1HB   ASP  41          HB2       ASP  41 -11.099  -3.639  -4.835
  315   2HB   ASP  41          HB1       ASP  41 -10.478  -3.124  -6.404
  316    H    GLY  42           HN       GLY  42  -8.991  -0.181  -3.610
  317   1HA   GLY  42          HA2       GLY  42 -10.631   1.487  -5.247
  318   2HA   GLY  42          HA1       GLY  42  -9.384   2.053  -4.135
  319    H    GLU  43           HN       GLU  43  -8.311   3.517  -5.376
  320    HA   GLU  43           HA       GLU  43  -7.275   2.638  -8.006
  321   1HB   GLU  43          HB2       GLU  43  -7.858   5.361  -6.813
  322   2HB   GLU  43          HB1       GLU  43  -7.086   5.133  -8.383
  323   1HG   GLU  43          HG2       GLU  43  -9.104   3.686  -9.002
  324   2HG   GLU  43          HG1       GLU  43  -9.878   4.327  -7.553
  325    H    TRP  44           HN       TRP  44  -5.209   1.920  -7.729
  326    HA   TRP  44           HA       TRP  44  -3.587   2.798  -5.510
  327   1HB   TRP  44          HB2       TRP  44  -3.313   0.900  -7.814
  328   2HB   TRP  44          HB1       TRP  44  -1.929   1.256  -6.772
  329    HD1  TRP  44           HD1      TRP  44  -5.629   0.196  -6.398
  330    HE1  TRP  44           HE1      TRP  44  -5.814  -1.329  -4.324
  331    HE3  TRP  44           HE3      TRP  44  -0.793   0.331  -4.767
  332    HZ2  TRP  44           HZ2      TRP  44  -4.137  -2.326  -2.241
  333    HZ3  TRP  44           HZ3      TRP  44  -0.113  -0.918  -2.738
  334    HH2  TRP  44           HH2      TRP  44  -1.779  -2.252  -1.474
  335    H    THR  45           HN       THR  45  -1.810   4.048  -5.517
  336    HA   THR  45           HA       THR  45  -0.662   5.137  -8.003
  337    HB   THR  45           HB       THR  45  -1.017   7.484  -6.918
  338    HG1  THR  45           HG1      THR  45  -2.448   7.599  -5.360
  339   1HG2  THR  45          HG21      THR  45  -2.791   7.814  -8.351
  340   2HG2  THR  45          HG22      THR  45  -3.621   6.348  -7.831
  341   3HG2  THR  45          HG23      THR  45  -2.248   6.241  -8.933
  342    H    TYR  46           HN       TYR  46   1.512   5.391  -7.641
  343    HA   TYR  46           HA       TYR  46   2.484   5.060  -4.841
  344   1HB   TYR  46          HB2       TYR  46   3.245   3.392  -6.378
  345   2HB   TYR  46          HB1       TYR  46   3.578   4.583  -7.629
  346    HD1  TYR  46           HD1      TYR  46   4.808   3.038  -4.512
  347    HD2  TYR  46           HD2      TYR  46   5.597   5.952  -7.567
  348    HE1  TYR  46           HE1      TYR  46   7.157   3.169  -3.773
  349    HE2  TYR  46           HE2      TYR  46   7.956   6.092  -6.820
  350    HH   TYR  46           HH       TYR  46   9.554   4.180  -5.435
  351    H    ASP  47           HN       ASP  47   3.800   6.630  -3.898
  352    HA   ASP  47           HA       ASP  47   4.231   9.158  -5.453
  353   1HB   ASP  47          HB2       ASP  47   3.430   8.445  -2.675
  354   2HB   ASP  47          HB1       ASP  47   4.466   9.862  -2.849
  355    H    ASP  48           HN       ASP  48   6.339   9.357  -6.066
  356    HA   ASP  48           HA       ASP  48   8.507   7.835  -4.907
  357   1HB   ASP  48          HB2       ASP  48   9.845   9.203  -6.485
  358   2HB   ASP  48          HB1       ASP  48   8.386   8.576  -7.251
  359    H    ALA  49           HN       ALA  49   7.022  10.823  -3.977
  360    HA   ALA  49           HA       ALA  49   9.154  12.320  -2.923
  361   1HB   ALA  49          HB1       ALA  49   6.782  13.026  -3.122
  362   2HB   ALA  49          HB2       ALA  49   7.404  13.305  -1.496
  363   3HB   ALA  49          HB3       ALA  49   6.359  11.921  -1.815
  364    H    THR  50           HN       THR  50   7.287   9.694  -1.382
  365    HA   THR  50           HA       THR  50   9.557   9.232   0.489
  366    HB   THR  50           HB       THR  50   7.967   9.300   2.399
  367    HG1  THR  50           HG1      THR  50   5.889   9.741   2.077
  368   1HG2  THR  50          HG21      THR  50   9.239  11.346   1.598
  369   2HG2  THR  50          HG22      THR  50   7.781  11.689   2.529
  370   3HG2  THR  50          HG23      THR  50   7.762  11.842   0.771
  371    H    LYS  51           HN       LYS  51   8.039   7.802  -1.808
  372    HA   LYS  51           HA       LYS  51   7.309   5.612  -2.303
  373   1HB   LYS  51          HB2       LYS  51   9.454   5.599  -0.374
  374   2HB   LYS  51          HB1       LYS  51   8.383   4.239  -0.044
  375   1HG   LYS  51          HG2       LYS  51   9.609   3.207  -1.665
  376   2HG   LYS  51          HG1       LYS  51   8.540   4.090  -2.756
  377   1HD   LYS  51          HD2       LYS  51  10.831   4.487  -3.453
  378   2HD   LYS  51          HD1       LYS  51  10.201   5.978  -2.750
  379   1HE   LYS  51          HE2       LYS  51  11.244   4.706  -0.531
  380   2HE   LYS  51          HE1       LYS  51  12.397   4.258  -1.804
  381   1HZ   LYS  51          HZ1       LYS  51  11.386   7.018  -1.383
  382   2HZ   LYS  51          HZ2       LYS  51  12.622   6.529  -2.441
  383   3HZ   LYS  51          HZ3       LYS  51  12.859   6.454  -0.761
  384    H    THR  52           HN       THR  52   5.029   6.012  -1.892
  385    HA   THR  52           HA       THR  52   4.016   4.524   0.462
  386    HB   THR  52           HB       THR  52   3.337   7.420  -0.149
  387    HG1  THR  52           HG1      THR  52   4.963   7.796   1.092
  388   1HG2  THR  52          HG21      THR  52   1.588   5.737   0.911
  389   2HG2  THR  52          HG22      THR  52   1.781   7.360   1.572
  390   3HG2  THR  52          HG23      THR  52   2.555   5.988   2.363
  391    H    PHE  53           HN       PHE  53   2.804   3.042  -0.731
  392    HA   PHE  53           HA       PHE  53   1.418   3.590  -3.190
  393   1HB   PHE  53          HB2       PHE  53   1.095   1.517  -0.996
  394   2HB   PHE  53          HB1       PHE  53   0.209   1.445  -2.519
  395    HD1  PHE  53           HD1      PHE  53   1.343   0.964  -4.623
  396    HD2  PHE  53           HD2      PHE  53   3.524   1.192  -0.930
  397    HE1  PHE  53           HE1      PHE  53   3.299  -0.101  -5.712
  398    HE2  PHE  53           HE2      PHE  53   5.479   0.126  -2.016
  399    HZ   PHE  53           HZ       PHE  53   5.367  -0.520  -4.410
  400    H    THR  54           HN       THR  54  -0.656   4.457  -3.520
  401    HA   THR  54           HA       THR  54  -2.222   5.093  -1.029
  402    HB   THR  54           HB       THR  54  -1.846   6.745  -3.539
  403    HG1  THR  54           HG1      THR  54  -0.561   8.013  -2.139
  404   1HG2  THR  54          HG21      THR  54  -3.317   8.254  -2.686
  405   2HG2  THR  54          HG22      THR  54  -2.784   7.980  -1.027
  406   3HG2  THR  54          HG23      THR  54  -3.932   6.872  -1.779
  407    H    VAL  55           HN       VAL  55  -3.795   3.379  -1.296
  408    HA   VAL  55           HA       VAL  55  -5.375   3.383  -3.788
  409    HB   VAL  55           HB       VAL  55  -4.558   1.210  -2.827
  410   1HG1  VAL  55          HG11      VAL  55  -5.389   0.355  -0.778
  411   2HG1  VAL  55          HG12      VAL  55  -6.577   1.664  -0.652
  412   3HG1  VAL  55          HG13      VAL  55  -4.863   2.004  -0.417
  413   1HG2  VAL  55          HG21      VAL  55  -6.614   0.021  -3.133
  414   2HG2  VAL  55          HG22      VAL  55  -6.660   1.419  -4.206
  415   3HG2  VAL  55          HG23      VAL  55  -7.561   1.439  -2.690
  416    H    THR  56           HN       THR  56  -7.823   3.261  -3.430
  417    HA   THR  56           HA       THR  56  -8.886   4.476  -0.975
  418    HB   THR  56           HB       THR  56  -8.798   5.895  -3.653
  419    HG1  THR  56           HG1      THR  56  -7.185   6.940  -2.830
  420   1HG2  THR  56          HG21      THR  56 -10.764   6.096  -1.669
  421   2HG2  THR  56          HG22      THR  56 -10.449   7.267  -2.949
  422   3HG2  THR  56          HG23      THR  56  -9.695   7.466  -1.368
  423    H    GLU  57           HN       GLU  57 -10.636   3.098  -0.758
  424    HA   GLU  57           HA       GLU  57 -12.213   2.365  -3.189
  425   1HB   GLU  57          HB2       GLU  57 -11.337   1.060  -0.746
  426   2HB   GLU  57          HB1       GLU  57 -13.092   0.960  -0.888
  427   1HG   GLU  57          HG2       GLU  57 -11.345   0.337  -3.259
  428   2HG   GLU  57          HG1       GLU  57 -11.639  -0.887  -2.023
  Start of MODEL   15
    1   1H    MET   1          HT1       MET   1  17.687  -2.300   3.372
    2   2H    MET   1          HT2       MET   1  17.270  -0.766   3.975
    3   3H    MET   1          HT3       MET   1  17.155  -1.088   2.311
    4    HA   MET   1           HA       MET   1  15.443  -2.829   2.862
    5   1HB   MET   1          HB2       MET   1  15.799  -1.402   5.518
    6   2HB   MET   1          HB1       MET   1  14.497  -2.539   5.167
    7   1HG   MET   1          HG2       MET   1  16.260  -4.255   4.599
    8   2HG   MET   1          HG1       MET   1  17.470  -3.120   5.200
    9   1HE   MET   1          HE1       MET   1  17.183  -5.956   7.821
   10   2HE   MET   1          HE2       MET   1  17.740  -5.562   6.197
   11   3HE   MET   1          HE3       MET   1  16.164  -6.316   6.421
   12    H    THR   2           HN       THR   2  13.930  -1.888   1.553
   13    HA   THR   2           HA       THR   2  13.314   0.992   1.749
   14    HB   THR   2           HB       THR   2  12.072  -1.135  -0.014
   15    HG1  THR   2           HG1      THR   2  13.778  -0.817  -1.394
   16   1HG2  THR   2          HG21      THR   2  12.450   1.857  -0.183
   17   2HG2  THR   2          HG22      THR   2  10.939   0.948  -0.221
   18   3HG2  THR   2          HG23      THR   2  12.046   0.878  -1.594
   19    H    THR   3           HN       THR   3  11.834   1.590   3.291
   20    HA   THR   3           HA       THR   3   9.738  -0.282   4.140
   21    HB   THR   3           HB       THR   3  11.121   0.863   5.809
   22    HG1  THR   3           HG1      THR   3   8.480   1.888   5.721
   23   1HG2  THR   3          HG21      THR   3  11.780   2.983   5.461
   24   2HG2  THR   3          HG22      THR   3  10.114   3.518   5.680
   25   3HG2  THR   3          HG23      THR   3  10.705   3.113   4.069
   26    H    PHE   4           HN       PHE   4   8.531  -0.053   2.042
   27    HA   PHE   4           HA       PHE   4   7.454   2.428   1.099
   28   1HB   PHE   4          HB2       PHE   4   6.442  -0.431   0.952
   29   2HB   PHE   4          HB1       PHE   4   5.813   0.892  -0.027
   30    HD1  PHE   4           HD1      PHE   4   7.261   2.001  -1.717
   31    HD2  PHE   4           HD2      PHE   4   8.575  -1.440   0.493
   32    HE1  PHE   4           HE1      PHE   4   9.090   1.646  -3.355
   33    HE2  PHE   4           HE2      PHE   4  10.403  -1.793  -1.144
   34    HZ   PHE   4           HZ       PHE   4  10.659  -0.250  -3.069
   35    H    LYS   5           HN       LYS   5   4.858   2.619   1.105
   36    HA   LYS   5           HA       LYS   5   3.664   1.934   3.730
   37   1HB   LYS   5          HB2       LYS   5   5.008   3.996   4.069
   38   2HB   LYS   5          HB1       LYS   5   4.108   4.782   2.772
   39   1HG   LYS   5          HG2       LYS   5   2.090   4.774   4.010
   40   2HG   LYS   5          HG1       LYS   5   2.700   3.577   5.154
   41   1HD   LYS   5          HD2       LYS   5   4.545   5.477   5.559
   42   2HD   LYS   5          HD1       LYS   5   3.221   6.512   5.023
   43   1HE   LYS   5          HE2       LYS   5   1.833   5.884   6.823
   44   2HE   LYS   5          HE1       LYS   5   2.760   4.404   7.138
   45   1HZ   LYS   5          HZ1       LYS   5   3.372   6.099   8.731
   46   2HZ   LYS   5          HZ2       LYS   5   3.733   7.192   7.482
   47   3HZ   LYS   5          HZ3       LYS   5   4.680   5.798   7.695
   48    H    LEU   6           HN       LEU   6   1.549   1.407   3.327
   49    HA   LEU   6           HA       LEU   6   0.284   2.401   0.810
   50   1HB   LEU   6          HB2       LEU   6   0.453  -0.026   1.114
   51   2HB   LEU   6          HB1       LEU   6  -0.338   0.093   2.685
   52    HG   LEU   6           HG       LEU   6  -2.345   1.086   1.498
   53   1HD1  LEU   6          HD11      LEU   6  -2.415   0.477  -0.996
   54   2HD1  LEU   6          HD12      LEU   6  -0.661   0.316  -0.889
   55   3HD1  LEU   6          HD13      LEU   6  -1.427   1.868  -0.551
   56   1HD2  LEU   6          HD21      LEU   6  -2.695  -1.293   0.220
   57   2HD2  LEU   6          HD22      LEU   6  -2.857  -1.090   1.965
   58   3HD2  LEU   6          HD23      LEU   6  -1.346  -1.698   1.284
   59    H    ILE   7           HN       ILE   7  -1.499   3.727   0.921
   60    HA   ILE   7           HA       ILE   7  -2.378   4.689   3.570
   61    HB   ILE   7           HB       ILE   7  -1.835   5.969   1.310
   62   1HG1  ILE   7          HG12      ILE   7  -3.730   7.644   1.991
   63   2HG1  ILE   7          HG11      ILE   7  -3.968   6.528   3.334
   64   1HG2  ILE   7          HG21      ILE   7  -3.882   4.523   0.294
   65   2HG2  ILE   7          HG22      ILE   7  -3.436   6.117  -0.305
   66   3HG2  ILE   7          HG23      ILE   7  -4.762   5.949   0.840
   67   1HD1  ILE   7          HD11      ILE   7  -2.234   8.536   3.520
   68   2HD1  ILE   7          HD12      ILE   7  -1.176   7.392   2.693
   69   3HD1  ILE   7          HD13      ILE   7  -1.887   6.969   4.251
   70    H    ILE   8           HN       ILE   8  -4.886   4.860   3.872
   71    HA   ILE   8           HA       ILE   8  -6.207   2.437   2.695
   72    HB   ILE   8           HB       ILE   8  -6.313   3.496   5.538
   73   1HG1  ILE   8          HG12      ILE   8  -5.108   0.933   4.452
   74   2HG1  ILE   8          HG11      ILE   8  -4.171   2.373   4.853
   75   1HG2  ILE   8          HG21      ILE   8  -7.333   0.802   4.759
   76   2HG2  ILE   8          HG22      ILE   8  -8.337   2.192   4.353
   77   3HG2  ILE   8          HG23      ILE   8  -7.891   1.887   6.031
   78   1HD1  ILE   8          HD11      ILE   8  -4.128   0.819   6.741
   79   2HD1  ILE   8          HD12      ILE   8  -5.890   0.766   6.766
   80   3HD1  ILE   8          HD13      ILE   8  -5.047   2.258   7.182
   81    H    ASN   9           HN       ASN   9  -7.001   4.283   1.188
   82    HA   ASN   9           HA       ASN   9  -9.135   5.951   2.423
   83   1HB   ASN   9          HB2       ASN   9  -7.347   6.052   0.113
   84   2HB   ASN   9          HB1       ASN   9  -9.014   6.388  -0.349
   85   1HD2  ASN   9          HD21      ASN   9  -6.225   7.874   0.802
   86   2HD2  ASN   9          HD22      ASN   9  -6.929   9.253   1.496
   87    H    GLY  10           HN       GLY  10  -9.715   3.273   2.557
   88   1HA   GLY  10          HA2       GLY  10 -11.581   2.742   0.287
   89   2HA   GLY  10          HA1       GLY  10 -10.927   1.502   1.362
   90    H    LYS  11           HN       LYS  11 -13.739   2.016   0.813
   91    HA   LYS  11           HA       LYS  11 -14.936   3.420   3.050
   92   1HB   LYS  11          HB2       LYS  11 -17.002   2.442   2.148
   93   2HB   LYS  11          HB1       LYS  11 -15.996   3.042   0.832
   94   1HG   LYS  11          HG2       LYS  11 -15.054   0.550   0.878
   95   2HG   LYS  11          HG1       LYS  11 -16.626   0.219   1.603
   96   1HD   LYS  11          HD2       LYS  11 -16.227   1.706  -1.008
   97   2HD   LYS  11          HD1       LYS  11 -16.645  -0.003  -0.886
   98   1HE   LYS  11          HE2       LYS  11 -18.778   0.463   0.043
   99   2HE   LYS  11          HE1       LYS  11 -18.322   2.127   0.460
  100   1HZ   LYS  11          HZ1       LYS  11 -18.580   0.995  -2.275
  101   2HZ   LYS  11          HZ2       LYS  11 -17.984   2.548  -1.928
  102   3HZ   LYS  11          HZ3       LYS  11 -19.596   2.152  -1.565
  103    H    THR  12           HN       THR  12 -13.320   0.419   2.909
  104    HA   THR  12           HA       THR  12 -14.990  -0.833   5.023
  105    HB   THR  12           HB       THR  12 -12.493  -1.868   3.655
  106    HG1  THR  12           HG1      THR  12 -13.940  -1.346   2.050
  107   1HG2  THR  12          HG21      THR  12 -13.234  -4.001   4.339
  108   2HG2  THR  12          HG22      THR  12 -14.871  -3.426   4.658
  109   3HG2  THR  12          HG23      THR  12 -13.552  -2.976   5.738
  110    H    LEU  13           HN       LEU  13 -11.820   0.658   4.518
  111    HA   LEU  13           HA       LEU  13 -11.419   0.663   7.476
  112   1HB   LEU  13          HB2       LEU  13 -10.283  -1.238   5.889
  113   2HB   LEU  13          HB1       LEU  13  -9.046   0.015   5.819
  114    HG   LEU  13           HG       LEU  13  -9.270   0.128   8.386
  115   1HD1  LEU  13          HD11      LEU  13 -11.412  -1.233   8.353
  116   2HD1  LEU  13          HD12      LEU  13 -10.188  -1.803   9.488
  117   3HD1  LEU  13          HD13      LEU  13 -10.425  -2.639   7.953
  118   1HD2  LEU  13          HD21      LEU  13  -8.093  -2.180   6.837
  119   2HD2  LEU  13          HD22      LEU  13  -7.882  -2.058   8.584
  120   3HD2  LEU  13          HD23      LEU  13  -7.265  -0.785   7.530
  121    H    LYS  14           HN       LYS  14  -9.854   2.304   8.152
  122    HA   LYS  14           HA       LYS  14  -9.073   4.289   6.058
  123   1HB   LYS  14          HB2       LYS  14 -10.889   4.579   8.420
  124   2HB   LYS  14          HB1       LYS  14  -9.878   5.954   7.975
  125   1HG   LYS  14          HG2       LYS  14 -10.917   6.227   5.913
  126   2HG   LYS  14          HG1       LYS  14 -11.427   4.540   5.832
  127   1HD   LYS  14          HD2       LYS  14 -13.145   4.895   7.477
  128   2HD   LYS  14          HD1       LYS  14 -12.533   6.507   7.851
  129   1HE   LYS  14          HE2       LYS  14 -13.268   5.977   5.004
  130   2HE   LYS  14          HE1       LYS  14 -14.595   6.160   6.169
  131   1HZ   LYS  14          HZ1       LYS  14 -13.693   8.216   6.920
  132   2HZ   LYS  14          HZ2       LYS  14 -13.777   8.300   5.226
  133   3HZ   LYS  14          HZ3       LYS  14 -12.287   8.019   5.993
  134    H    GLY  15           HN       GLY  15  -7.033   5.132   6.428
  135   1HA   GLY  15          HA2       GLY  15  -5.616   5.995   8.459
  136   2HA   GLY  15          HA1       GLY  15  -5.649   4.294   8.922
  137    H    GLU  16           HN       GLU  16  -3.496   3.757   8.586
  138    HA   GLU  16           HA       GLU  16  -2.603   3.625   5.763
  139   1HB   GLU  16          HB2       GLU  16  -0.477   4.781   6.342
  140   2HB   GLU  16          HB1       GLU  16  -1.874   5.830   6.574
  141   1HG   GLU  16          HG2       GLU  16  -1.745   4.742   9.040
  142   2HG   GLU  16          HG1       GLU  16  -0.041   4.639   8.595
  143    H    THR  17           HN       THR  17  -0.486   2.358   5.640
  144    HA   THR  17           HA       THR  17   0.068   0.609   7.975
  145    HB   THR  17           HB       THR  17  -0.786  -0.437   5.257
  146    HG1  THR  17           HG1      THR  17  -2.184  -0.285   7.719
  147   1HG2  THR  17          HG21      THR  17  -0.239  -1.785   7.915
  148   2HG2  THR  17          HG22      THR  17   0.701  -1.960   6.432
  149   3HG2  THR  17          HG23      THR  17  -0.944  -2.592   6.514
  150    H    THR  18           HN       THR  18   2.149  -0.352   7.846
  151    HA   THR  18           HA       THR  18   3.800   0.351   5.441
  152    HB   THR  18           HB       THR  18   5.623   0.714   7.244
  153    HG1  THR  18           HG1      THR  18   4.436  -0.220   8.943
  154   1HG2  THR  18          HG21      THR  18   3.245   2.484   6.745
  155   2HG2  THR  18          HG22      THR  18   4.900   2.658   6.160
  156   3HG2  THR  18          HG23      THR  18   4.519   3.007   7.847
  157    H    THR  19           HN       THR  19   5.864  -1.006   5.410
  158    HA   THR  19           HA       THR  19   5.905  -3.499   6.944
  159    HB   THR  19           HB       THR  19   4.088  -3.907   5.330
  160    HG1  THR  19           HG1      THR  19   5.339  -5.678   5.773
  161   1HG2  THR  19          HG21      THR  19   5.974  -3.777   3.021
  162   2HG2  THR  19          HG22      THR  19   5.346  -2.251   3.641
  163   3HG2  THR  19          HG23      THR  19   4.234  -3.493   3.068
  164    H    GLU  20           HN       GLU  20   7.624  -5.033   5.771
  165    HA   GLU  20           HA       GLU  20   9.933  -3.287   5.005
  166   1HB   GLU  20          HB2       GLU  20   9.642  -5.085   7.031
  167   2HB   GLU  20          HB1       GLU  20  10.314  -6.128   5.778
  168   1HG   GLU  20          HG2       GLU  20  11.962  -4.026   5.486
  169   2HG   GLU  20          HG1       GLU  20  11.560  -3.820   7.191
  170    H    ALA  21           HN       ALA  21  10.679  -3.464   2.932
  171    HA   ALA  21           HA       ALA  21  10.442  -6.017   1.453
  172   1HB   ALA  21          HB1       ALA  21   9.438  -4.221  -0.386
  173   2HB   ALA  21          HB2       ALA  21   8.722  -3.648   1.120
  174   3HB   ALA  21          HB3       ALA  21   8.454  -5.309   0.592
  175    H    VAL  22           HN       VAL  22  12.136  -6.213  -0.008
  176    HA   VAL  22           HA       VAL  22  14.366  -4.466   0.059
  177    HB   VAL  22           HB       VAL  22  15.091  -5.854  -1.865
  178   1HG1  VAL  22          HG11      VAL  22  15.552  -7.029   0.056
  179   2HG1  VAL  22          HG12      VAL  22  14.389  -8.137  -0.673
  180   3HG1  VAL  22          HG13      VAL  22  13.870  -7.017   0.586
  181   1HG2  VAL  22          HG21      VAL  22  12.359  -7.139  -1.744
  182   2HG2  VAL  22          HG22      VAL  22  13.633  -7.421  -2.929
  183   3HG2  VAL  22          HG23      VAL  22  12.765  -5.887  -2.917
  184    H    ASP  23           HN       ASP  23  11.475  -4.423  -1.940
  185    HA   ASP  23           HA       ASP  23  11.980  -1.733  -2.869
  186   1HB   ASP  23          HB2       ASP  23  12.297  -2.355  -5.281
  187   2HB   ASP  23          HB1       ASP  23  13.633  -2.861  -4.253
  188    H    ALA  24           HN       ALA  24  10.371  -1.359  -4.896
  189    HA   ALA  24           HA       ALA  24   7.730  -1.729  -3.991
  190   1HB   ALA  24          HB1       ALA  24   7.973  -0.039  -5.549
  191   2HB   ALA  24          HB2       ALA  24   7.357  -1.310  -6.605
  192   3HB   ALA  24          HB3       ALA  24   9.088  -0.979  -6.541
  193    H    ALA  25           HN       ALA  25   9.768  -3.871  -5.870
  194    HA   ALA  25           HA       ALA  25   7.814  -5.520  -7.121
  195   1HB   ALA  25          HB1       ALA  25  10.630  -5.464  -6.646
  196   2HB   ALA  25          HB2       ALA  25   9.754  -6.442  -7.820
  197   3HB   ALA  25          HB3       ALA  25  10.056  -7.071  -6.202
  198    H    THR  26           HN       THR  26   8.884  -5.363  -3.779
  199    HA   THR  26           HA       THR  26   7.243  -7.782  -3.118
  200    HB   THR  26           HB       THR  26   9.267  -6.351  -1.383
  201    HG1  THR  26           HG1      THR  26  10.541  -6.903  -2.999
  202   1HG2  THR  26          HG21      THR  26   7.796  -8.942  -1.353
  203   2HG2  THR  26          HG22      THR  26   8.261  -7.896  -0.010
  204   3HG2  THR  26          HG23      THR  26   9.457  -8.952  -0.761
  205    H    ALA  27           HN       ALA  27   7.651  -4.339  -2.523
  206    HA   ALA  27           HA       ALA  27   6.063  -4.010  -0.183
  207   1HB   ALA  27          HB1       ALA  27   6.329  -1.773  -0.681
  208   2HB   ALA  27          HB2       ALA  27   5.907  -1.999  -2.378
  209   3HB   ALA  27          HB3       ALA  27   7.520  -2.423  -1.808
  210    H    GLU  28           HN       GLU  28   5.001  -3.373  -3.549
  211    HA   GLU  28           HA       GLU  28   2.208  -3.214  -3.005
  212   1HB   GLU  28          HB2       GLU  28   3.750  -2.717  -5.111
  213   2HB   GLU  28          HB1       GLU  28   3.269  -4.351  -5.573
  214   1HG   GLU  28          HG2       GLU  28   0.863  -3.628  -5.162
  215   2HG   GLU  28          HG1       GLU  28   1.469  -1.976  -5.045
  216    H    LYS  29           HN       LYS  29   4.295  -6.010  -3.620
  217    HA   LYS  29           HA       LYS  29   2.346  -8.007  -4.142
  218   1HB   LYS  29          HB2       LYS  29   4.851  -8.189  -4.266
  219   2HB   LYS  29          HB1       LYS  29   4.893  -8.236  -2.504
  220   1HG   LYS  29          HG2       LYS  29   3.894 -10.338  -2.398
  221   2HG   LYS  29          HG1       LYS  29   3.128 -10.164  -3.978
  222   1HD   LYS  29          HD2       LYS  29   5.715 -10.027  -4.733
  223   2HD   LYS  29          HD1       LYS  29   5.889 -11.038  -3.299
  224   1HE   LYS  29          HE2       LYS  29   3.719 -12.215  -4.475
  225   2HE   LYS  29          HE1       LYS  29   4.631 -11.679  -5.900
  226   1HZ   LYS  29          HZ1       LYS  29   5.656 -13.287  -3.623
  227   2HZ   LYS  29          HZ2       LYS  29   6.647 -12.614  -4.828
  228   3HZ   LYS  29          HZ3       LYS  29   5.492 -13.791  -5.234
  229    H    VAL  30           HN       VAL  30   3.639  -6.872  -1.007
  230    HA   VAL  30           HA       VAL  30   1.845  -8.595   0.547
  231    HB   VAL  30           HB       VAL  30   3.665  -6.264   1.258
  232   1HG1  VAL  30          HG11      VAL  30   3.571  -7.389   3.558
  233   2HG1  VAL  30          HG12      VAL  30   2.168  -8.272   2.956
  234   3HG1  VAL  30          HG13      VAL  30   2.122  -6.512   3.064
  235   1HG2  VAL  30          HG21      VAL  30   4.032  -9.256   1.105
  236   2HG2  VAL  30          HG22      VAL  30   5.062  -8.263   2.136
  237   3HG2  VAL  30          HG23      VAL  30   5.032  -7.990   0.394
  238    H    PHE  31           HN       PHE  31   2.095  -5.099  -0.167
  239    HA   PHE  31           HA       PHE  31  -0.174  -4.257   1.352
  240   1HB   PHE  31          HB2       PHE  31   1.360  -3.219  -1.027
  241   2HB   PHE  31          HB1       PHE  31  -0.065  -2.356  -0.449
  242    HD1  PHE  31           HD1      PHE  31   3.273  -2.077  -0.326
  243    HD2  PHE  31           HD2      PHE  31   0.019  -2.593   2.433
  244    HE1  PHE  31           HE1      PHE  31   4.629  -1.044   1.473
  245    HE2  PHE  31           HE2      PHE  31   1.378  -1.560   4.229
  246    HZ   PHE  31           HZ       PHE  31   3.684  -0.785   3.749
  247    H    LYS  32           HN       LYS  32   0.114  -5.580  -1.927
  248    HA   LYS  32           HA       LYS  32  -2.555  -4.987  -2.813
  249   1HB   LYS  32          HB2       LYS  32  -0.409  -6.990  -3.505
  250   2HB   LYS  32          HB1       LYS  32  -1.996  -7.114  -4.261
  251   1HG   LYS  32          HG2       LYS  32  -0.791  -4.401  -4.231
  252   2HG   LYS  32          HG1       LYS  32   0.000  -5.585  -5.271
  253   1HD   LYS  32          HD2       LYS  32  -2.178  -6.096  -6.333
  254   2HD   LYS  32          HD1       LYS  32  -2.949  -4.879  -5.315
  255   1HE   LYS  32          HE2       LYS  32  -2.075  -3.126  -6.522
  256   2HE   LYS  32          HE1       LYS  32  -0.563  -3.989  -6.869
  257   1HZ   LYS  32          HZ1       LYS  32  -1.823  -5.476  -8.333
  258   2HZ   LYS  32          HZ2       LYS  32  -1.901  -3.864  -8.862
  259   3HZ   LYS  32          HZ3       LYS  32  -3.226  -4.563  -8.060
  260    H    GLN  33           HN       GLN  33  -1.123  -7.866  -1.250
  261    HA   GLN  33           HA       GLN  33  -3.530  -9.408  -1.076
  262   1HB   GLN  33          HB2       GLN  33  -1.107 -10.131  -0.767
  263   2HB   GLN  33          HB1       GLN  33  -1.184  -9.404   0.838
  264   1HG   GLN  33          HG2       GLN  33  -1.693 -11.724   1.138
  265   2HG   GLN  33          HG1       GLN  33  -3.230 -10.866   1.263
  266   1HE2  GLN  33          HE21      GLN  33  -4.534 -12.639   0.475
  267   2HE2  GLN  33          HE22      GLN  33  -4.442 -13.184  -1.130
  268    H    TYR  34           HN       TYR  34  -2.125  -6.928   0.934
  269    HA   TYR  34           HA       TYR  34  -3.834  -7.197   3.238
  270   1HB   TYR  34          HB2       TYR  34  -1.816  -5.964   3.464
  271   2HB   TYR  34          HB1       TYR  34  -2.111  -5.040   1.996
  272    HD1  TYR  34           HD1      TYR  34  -3.488  -3.064   2.013
  273    HD2  TYR  34           HD2      TYR  34  -3.044  -5.447   5.553
  274    HE1  TYR  34           HE1      TYR  34  -4.515  -1.250   3.352
  275    HE2  TYR  34           HE2      TYR  34  -4.073  -3.633   6.903
  276    HH   TYR  34           HH       TYR  34  -5.729  -1.662   6.371
  277    H    ALA  35           HN       ALA  35  -4.002  -5.131   0.325
  278    HA   ALA  35           HA       ALA  35  -6.562  -3.942   1.015
  279   1HB   ALA  35          HB1       ALA  35  -4.675  -4.048  -1.308
  280   2HB   ALA  35          HB2       ALA  35  -5.322  -2.642  -0.455
  281   3HB   ALA  35          HB3       ALA  35  -6.327  -3.509  -1.618
  282    H    ASN  36           HN       ASN  36  -5.518  -6.665  -1.018
  283    HA   ASN  36           HA       ASN  36  -7.992  -7.274  -2.256
  284   1HB   ASN  36          HB2       ASN  36  -5.746  -8.187  -2.833
  285   2HB   ASN  36          HB1       ASN  36  -5.777  -9.136  -1.346
  286   1HD2  ASN  36          HD21      ASN  36  -6.762  -9.103  -4.651
  287   2HD2  ASN  36          HD22      ASN  36  -7.736 -10.492  -4.605
  288    H    ASP  37           HN       ASP  37  -6.595  -8.466   0.806
  289    HA   ASP  37           HA       ASP  37  -8.680 -10.269   1.534
  290   1HB   ASP  37          HB2       ASP  37  -6.699  -8.588   3.090
  291   2HB   ASP  37          HB1       ASP  37  -7.750  -9.771   3.871
  292    H    ASN  38           HN       ASN  38  -8.187  -6.873   2.587
  293    HA   ASN  38           HA       ASN  38 -10.722  -6.681   3.964
  294   1HB   ASN  38          HB2       ASN  38  -8.512  -4.886   3.059
  295   2HB   ASN  38          HB1       ASN  38 -10.047  -4.124   3.479
  296   1HD2  ASN  38          HD21      ASN  38  -7.221  -5.708   4.782
  297   2HD2  ASN  38          HD22      ASN  38  -7.675  -5.614   6.415
  298    H    GLY  39           HN       GLY  39  -9.612  -5.487   0.777
  299   1HA   GLY  39          HA2       GLY  39 -11.261  -5.857  -1.111
  300   2HA   GLY  39          HA1       GLY  39 -12.485  -5.218  -0.013
  301    H    ILE  40           HN       ILE  40  -9.163  -4.077  -0.683
  302    HA   ILE  40           HA       ILE  40 -10.334  -1.389  -1.287
  303    HB   ILE  40           HB       ILE  40  -7.593  -2.269  -0.315
  304   1HG1  ILE  40          HG12      ILE  40  -9.848  -0.770   1.061
  305   2HG1  ILE  40          HG11      ILE  40  -9.460  -2.469   1.322
  306   1HG2  ILE  40          HG21      ILE  40  -7.429   0.292   0.122
  307   2HG2  ILE  40          HG22      ILE  40  -8.733   0.433  -1.055
  308   3HG2  ILE  40          HG23      ILE  40  -7.183  -0.267  -1.535
  309   1HD1  ILE  40          HD11      ILE  40  -8.473  -0.501   2.875
  310   2HD1  ILE  40          HD12      ILE  40  -7.218  -0.537   1.636
  311   3HD1  ILE  40          HD13      ILE  40  -7.588  -1.993   2.559
  312    H    ASP  41           HN       ASP  41 -10.729  -2.260  -3.532
  313    HA   ASP  41           HA       ASP  41  -8.272  -2.513  -5.207
  314   1HB   ASP  41          HB2       ASP  41 -10.276  -4.124  -5.245
  315   2HB   ASP  41          HB1       ASP  41 -11.184  -2.811  -5.996
  316    H    GLY  42           HN       GLY  42  -8.921   0.030  -4.042
  317   1HA   GLY  42          HA2       GLY  42 -10.415   1.747  -5.764
  318   2HA   GLY  42          HA1       GLY  42  -9.194   2.269  -4.603
  319    H    GLU  43           HN       GLU  43  -8.023   3.683  -5.817
  320    HA   GLU  43           HA       GLU  43  -6.886   2.715  -8.375
  321   1HB   GLU  43          HB2       GLU  43  -7.545   5.453  -7.273
  322   2HB   GLU  43          HB1       GLU  43  -6.559   5.239  -8.720
  323   1HG   GLU  43          HG2       GLU  43  -8.604   3.637  -9.389
  324   2HG   GLU  43          HG1       GLU  43  -9.469   4.741  -8.319
  325    H    TRP  44           HN       TRP  44  -4.871   1.931  -7.959
  326    HA   TRP  44           HA       TRP  44  -3.326   2.830  -5.694
  327   1HB   TRP  44          HB2       TRP  44  -3.006   0.856  -7.926
  328   2HB   TRP  44          HB1       TRP  44  -1.662   1.200  -6.831
  329    HD1  TRP  44           HD1      TRP  44  -5.400   0.242  -6.618
  330    HE1  TRP  44           HE1      TRP  44  -5.727  -1.218  -4.513
  331    HE3  TRP  44           HE3      TRP  44  -0.656   0.334  -4.731
  332    HZ2  TRP  44           HZ2      TRP  44  -4.182  -2.186  -2.313
  333    HZ3  TRP  44           HZ3      TRP  44  -0.111  -0.864  -2.632
  334    HH2  TRP  44           HH2      TRP  44  -1.868  -2.128  -1.421
  335    H    THR  45           HN       THR  45  -1.490   4.008  -5.661
  336    HA   THR  45           HA       THR  45  -0.215   4.982  -8.134
  337    HB   THR  45           HB       THR  45  -0.479   7.365  -7.056
  338    HG1  THR  45           HG1      THR  45  -2.219   7.584  -5.758
  339   1HG2  THR  45          HG21      THR  45  -2.095   7.789  -8.633
  340   2HG2  THR  45          HG22      THR  45  -3.075   6.404  -8.154
  341   3HG2  THR  45          HG23      THR  45  -1.642   6.166  -9.154
  342    H    TYR  46           HN       TYR  46   1.953   5.121  -7.718
  343    HA   TYR  46           HA       TYR  46   2.829   4.845  -4.879
  344   1HB   TYR  46          HB2       TYR  46   3.529   3.042  -6.259
  345   2HB   TYR  46          HB1       TYR  46   3.903   4.103  -7.609
  346    HD1  TYR  46           HD1      TYR  46   5.116   2.689  -4.442
  347    HD2  TYR  46           HD2      TYR  46   5.977   5.430  -7.634
  348    HE1  TYR  46           HE1      TYR  46   7.485   2.750  -3.746
  349    HE2  TYR  46           HE2      TYR  46   8.354   5.498  -6.933
  350    HH   TYR  46           HH       TYR  46   9.935   3.920  -5.671
  351    H    ASP  47           HN       ASP  47   3.632   6.675  -3.947
  352    HA   ASP  47           HA       ASP  47   4.455   8.982  -5.610
  353   1HB   ASP  47          HB2       ASP  47   4.114   8.518  -2.629
  354   2HB   ASP  47          HB1       ASP  47   4.501  10.080  -3.352
  355    H    ASP  48           HN       ASP  48   6.556   8.897  -6.314
  356    HA   ASP  48           HA       ASP  48   8.662   7.381  -5.070
  357   1HB   ASP  48          HB2       ASP  48   8.405   8.203  -7.478
  358   2HB   ASP  48          HB1       ASP  48   8.940   9.780  -6.896
  359    H    ALA  49           HN       ALA  49   7.325  10.486  -4.307
  360    HA   ALA  49           HA       ALA  49   9.515  11.938  -3.319
  361   1HB   ALA  49          HB1       ALA  49   6.744  11.729  -2.107
  362   2HB   ALA  49          HB2       ALA  49   7.112  12.649  -3.567
  363   3HB   ALA  49          HB3       ALA  49   7.830  13.117  -2.025
  364    H    THR  50           HN       THR  50   7.561   9.450  -1.660
  365    HA   THR  50           HA       THR  50   9.808   9.017   0.247
  366    HB   THR  50           HB       THR  50   8.215   9.210   2.141
  367    HG1  THR  50           HG1      THR  50   6.417  10.091   0.134
  368   1HG2  THR  50          HG21      THR  50   9.513  11.201   1.239
  369   2HG2  THR  50          HG22      THR  50   8.062  11.601   2.158
  370   3HG2  THR  50          HG23      THR  50   8.038  11.675   0.396
  371    H    LYS  51           HN       LYS  51   8.310   7.516  -1.999
  372    HA   LYS  51           HA       LYS  51   7.524   5.325  -2.405
  373   1HB   LYS  51          HB2       LYS  51   9.577   5.340  -0.331
  374   2HB   LYS  51          HB1       LYS  51   8.503   3.952  -0.156
  375   1HG   LYS  51          HG2       LYS  51  10.008   3.080  -1.675
  376   2HG   LYS  51          HG1       LYS  51   8.849   3.805  -2.791
  377   1HD   LYS  51          HD2       LYS  51  10.271   5.520  -3.369
  378   2HD   LYS  51          HD1       LYS  51  11.028   5.567  -1.778
  379   1HE   LYS  51          HE2       LYS  51  12.249   3.475  -2.285
  380   2HE   LYS  51          HE1       LYS  51  11.498   3.433  -3.893
  381   1HZ   LYS  51          HZ1       LYS  51  12.487   5.481  -4.468
  382   2HZ   LYS  51          HZ2       LYS  51  13.733   4.557  -3.775
  383   3HZ   LYS  51          HZ3       LYS  51  12.985   5.789  -2.876
  384    H    THR  52           HN       THR  52   5.249   5.859  -2.030
  385    HA   THR  52           HA       THR  52   4.149   4.480   0.356
  386    HB   THR  52           HB       THR  52   3.527   7.358  -0.381
  387    HG1  THR  52           HG1      THR  52   4.655   7.818   1.521
  388   1HG2  THR  52          HG21      THR  52   2.782   6.183   2.241
  389   2HG2  THR  52          HG22      THR  52   1.858   5.624   0.847
  390   3HG2  THR  52          HG23      THR  52   1.911   7.343   1.238
  391    H    PHE  53           HN       PHE  53   2.976   2.985  -0.864
  392    HA   PHE  53           HA       PHE  53   1.622   3.510  -3.340
  393   1HB   PHE  53          HB2       PHE  53   1.216   1.468  -1.127
  394   2HB   PHE  53          HB1       PHE  53   0.421   1.372  -2.699
  395    HD1  PHE  53           HD1      PHE  53   1.688   0.896  -4.733
  396    HD2  PHE  53           HD2      PHE  53   3.631   1.114  -0.909
  397    HE1  PHE  53           HE1      PHE  53   3.705  -0.179  -5.695
  398    HE2  PHE  53           HE2      PHE  53   5.647   0.040  -1.868
  399    HZ   PHE  53           HZ       PHE  53   5.684  -0.608  -4.264
  400    H    THR  54           HN       THR  54  -0.398   4.450  -3.711
  401    HA   THR  54           HA       THR  54  -2.041   5.094  -1.268
  402    HB   THR  54           HB       THR  54  -1.543   6.730  -3.771
  403    HG1  THR  54           HG1      THR  54  -0.230   7.932  -2.450
  404   1HG2  THR  54          HG21      THR  54  -2.744   7.753  -1.212
  405   2HG2  THR  54          HG22      THR  54  -3.770   6.977  -2.417
  406   3HG2  THR  54          HG23      THR  54  -2.859   8.426  -2.837
  407    H    VAL  55           HN       VAL  55  -3.781   3.625  -1.471
  408    HA   VAL  55           HA       VAL  55  -5.188   3.522  -4.072
  409    HB   VAL  55           HB       VAL  55  -4.462   1.357  -3.024
  410   1HG1  VAL  55          HG11      VAL  55  -4.850   2.182  -0.651
  411   2HG1  VAL  55          HG12      VAL  55  -5.453   0.560  -1.007
  412   3HG1  VAL  55          HG13      VAL  55  -6.570   1.933  -0.958
  413   1HG2  VAL  55          HG21      VAL  55  -7.463   1.643  -3.042
  414   2HG2  VAL  55          HG22      VAL  55  -6.521   0.201  -3.411
  415   3HG2  VAL  55          HG23      VAL  55  -6.490   1.579  -4.511
  416    H    THR  56           HN       THR  56  -7.643   3.458  -3.835
  417    HA   THR  56           HA       THR  56  -8.800   4.756  -1.469
  418    HB   THR  56           HB       THR  56  -8.559   6.094  -4.179
  419    HG1  THR  56           HG1      THR  56  -6.979   7.151  -3.302
  420   1HG2  THR  56          HG21      THR  56 -10.519   7.071  -3.563
  421   2HG2  THR  56          HG22      THR  56  -9.514   7.994  -2.446
  422   3HG2  THR  56          HG23      THR  56 -10.358   6.551  -1.885
  423    H    GLU  57           HN       GLU  57 -10.531   3.355  -1.302
  424    HA   GLU  57           HA       GLU  57 -11.957   2.446  -3.744
  425   1HB   GLU  57          HB2       GLU  57 -11.209   1.300  -1.318
  426   2HB   GLU  57          HB1       GLU  57 -12.936   1.584  -1.111
  427   1HG   GLU  57          HG2       GLU  57 -12.060   0.415  -3.710
  428   2HG   GLU  57          HG1       GLU  57 -11.990  -0.633  -2.293
  Start of MODEL   16
    1   1H    MET   1          HT1       MET   1  16.858  -1.569   3.303
    2   2H    MET   1          HT2       MET   1  17.137  -2.961   4.237
    3   3H    MET   1          HT3       MET   1  16.520  -1.555   4.965
    4    HA   MET   1           HA       MET   1  15.129  -3.354   3.051
    5   1HB   MET   1          HB2       MET   1  15.128  -2.715   5.968
    6   2HB   MET   1          HB1       MET   1  13.572  -3.083   5.223
    7   1HG   MET   1          HG2       MET   1  14.356  -5.226   4.457
    8   2HG   MET   1          HG1       MET   1  16.016  -4.844   4.914
    9   1HE   MET   1          HE1       MET   1  14.688  -7.625   6.054
   10   2HE   MET   1          HE2       MET   1  13.274  -6.753   5.468
   11   3HE   MET   1          HE3       MET   1  13.324  -7.317   7.137
   12    H    THR   2           HN       THR   2  13.925  -2.185   1.614
   13    HA   THR   2           HA       THR   2  13.330   0.636   1.947
   14    HB   THR   2           HB       THR   2  12.142  -1.432   0.067
   15    HG1  THR   2           HG1      THR   2  14.463   0.185  -0.133
   16   1HG2  THR   2          HG21      THR   2  11.923   0.579  -1.423
   17   2HG2  THR   2          HG22      THR   2  12.401   1.582  -0.052
   18   3HG2  THR   2          HG23      THR   2  10.906   0.648   0.019
   19    H    THR   3           HN       THR   3  11.867   1.265   3.487
   20    HA   THR   3           HA       THR   3   9.618  -0.444   4.237
   21    HB   THR   3           HB       THR   3  10.520   2.283   5.197
   22    HG1  THR   3           HG1      THR   3  12.098   1.123   5.942
   23   1HG2  THR   3          HG21      THR   3   8.254   1.904   5.882
   24   2HG2  THR   3          HG22      THR   3   9.269   1.539   7.278
   25   3HG2  THR   3          HG23      THR   3   8.598   0.228   6.308
   26    H    PHE   4           HN       PHE   4   8.131  -0.334   2.485
   27    HA   PHE   4           HA       PHE   4   7.361   2.224   1.282
   28   1HB   PHE   4          HB2       PHE   4   6.340  -0.627   1.143
   29   2HB   PHE   4          HB1       PHE   4   5.656   0.682   0.182
   30    HD1  PHE   4           HD1      PHE   4   7.088   1.885  -1.484
   31    HD2  PHE   4           HD2      PHE   4   8.444  -1.617   0.601
   32    HE1  PHE   4           HE1      PHE   4   8.900   1.593  -3.153
   33    HE2  PHE   4           HE2      PHE   4  10.256  -1.909  -1.066
   34    HZ   PHE   4           HZ       PHE   4  10.482  -0.305  -2.942
   35    H    LYS   5           HN       LYS   5   4.925   2.798   1.283
   36    HA   LYS   5           HA       LYS   5   3.600   2.140   3.884
   37   1HB   LYS   5          HB2       LYS   5   4.806   4.656   2.983
   38   2HB   LYS   5          HB1       LYS   5   3.118   4.856   3.450
   39   1HG   LYS   5          HG2       LYS   5   3.529   4.394   5.651
   40   2HG   LYS   5          HG1       LYS   5   4.770   3.198   5.274
   41   1HD   LYS   5          HD2       LYS   5   5.886   5.065   6.304
   42   2HD   LYS   5          HD1       LYS   5   6.269   5.122   4.583
   43   1HE   LYS   5          HE2       LYS   5   5.643   7.343   4.947
   44   2HE   LYS   5          HE1       LYS   5   4.069   6.644   4.513
   45   1HZ   LYS   5          HZ1       LYS   5   5.150   6.864   7.274
   46   2HZ   LYS   5          HZ2       LYS   5   3.642   6.209   6.843
   47   3HZ   LYS   5          HZ3       LYS   5   3.949   7.864   6.614
   48    H    LEU   6           HN       LEU   6   1.515   1.536   3.461
   49    HA   LEU   6           HA       LEU   6   0.269   2.365   0.879
   50   1HB   LEU   6          HB2       LEU   6   0.393  -0.027   1.306
   51   2HB   LEU   6          HB1       LEU   6  -0.314   0.181   2.907
   52    HG   LEU   6           HG       LEU   6  -2.401   1.049   1.822
   53   1HD1  LEU   6          HD11      LEU   6  -2.585   0.428  -0.674
   54   2HD1  LEU   6          HD12      LEU   6  -0.822   0.377  -0.660
   55   3HD1  LEU   6          HD13      LEU   6  -1.664   1.876  -0.269
   56   1HD2  LEU   6          HD21      LEU   6  -1.324  -1.700   1.489
   57   2HD2  LEU   6          HD22      LEU   6  -2.775  -1.319   0.562
   58   3HD2  LEU   6          HD23      LEU   6  -2.783  -1.154   2.319
   59    H    ILE   7           HN       ILE   7  -1.159   4.064   1.007
   60    HA   ILE   7           HA       ILE   7  -2.144   5.084   3.534
   61    HB   ILE   7           HB       ILE   7  -1.707   6.161   1.135
   62   1HG1  ILE   7          HG12      ILE   7  -4.130   7.241   2.498
   63   2HG1  ILE   7          HG11      ILE   7  -2.637   7.103   3.426
   64   1HG2  ILE   7          HG21      ILE   7  -4.689   5.967   0.918
   65   2HG2  ILE   7          HG22      ILE   7  -3.700   4.668   0.252
   66   3HG2  ILE   7          HG23      ILE   7  -3.496   6.318  -0.331
   67   1HD1  ILE   7          HD11      ILE   7  -2.645   9.294   2.427
   68   2HD1  ILE   7          HD12      ILE   7  -3.052   8.628   0.845
   69   3HD1  ILE   7          HD13      ILE   7  -1.463   8.323   1.547
   70    H    ILE   8           HN       ILE   8  -4.690   5.329   3.778
   71    HA   ILE   8           HA       ILE   8  -6.021   2.801   2.881
   72    HB   ILE   8           HB       ILE   8  -5.990   3.993   5.673
   73   1HG1  ILE   8          HG12      ILE   8  -4.790   1.406   4.632
   74   2HG1  ILE   8          HG11      ILE   8  -3.866   2.869   4.969
   75   1HG2  ILE   8          HG21      ILE   8  -7.390   2.212   6.346
   76   2HG2  ILE   8          HG22      ILE   8  -7.097   1.306   4.862
   77   3HG2  ILE   8          HG23      ILE   8  -8.103   2.753   4.828
   78   1HD1  ILE   8          HD11      ILE   8  -5.612   1.552   7.055
   79   2HD1  ILE   8          HD12      ILE   8  -4.358   2.767   7.300
   80   3HD1  ILE   8          HD13      ILE   8  -3.916   1.124   6.837
   81    H    ASN   9           HN       ASN   9  -6.967   4.487   1.327
   82    HA   ASN   9           HA       ASN   9  -9.010   6.250   2.593
   83   1HB   ASN   9          HB2       ASN   9  -7.962   5.913  -0.238
   84   2HB   ASN   9          HB1       ASN   9  -9.210   7.072   0.213
   85   1HD2  ASN   9          HD21      ASN   9  -6.573   7.800  -0.840
   86   2HD2  ASN   9          HD22      ASN   9  -5.782   8.685   0.373
   87    H    GLY  10           HN       GLY  10  -9.517   3.568   2.949
   88   1HA   GLY  10          HA2       GLY  10 -11.580   2.897   0.900
   89   2HA   GLY  10          HA1       GLY  10 -10.767   1.707   1.920
   90    H    LYS  11           HN       LYS  11 -13.634   2.116   1.677
   91    HA   LYS  11           HA       LYS  11 -14.646   3.545   3.985
   92   1HB   LYS  11          HB2       LYS  11 -15.862   2.937   1.857
   93   2HB   LYS  11          HB1       LYS  11 -15.887   1.265   2.418
   94   1HG   LYS  11          HG2       LYS  11 -17.476   1.679   4.008
   95   2HG   LYS  11          HG1       LYS  11 -16.844   3.286   4.368
   96   1HD   LYS  11          HD2       LYS  11 -17.722   3.782   1.896
   97   2HD   LYS  11          HD1       LYS  11 -18.806   2.444   2.277
   98   1HE   LYS  11          HE2       LYS  11 -19.990   4.364   3.027
   99   2HE   LYS  11          HE1       LYS  11 -19.241   3.738   4.509
  100   1HZ   LYS  11          HZ1       LYS  11 -18.098   5.827   2.728
  101   2HZ   LYS  11          HZ2       LYS  11 -17.342   5.196   4.112
  102   3HZ   LYS  11          HZ3       LYS  11 -18.775   6.096   4.259
  103    H    THR  12           HN       THR  12 -12.963   0.568   3.705
  104    HA   THR  12           HA       THR  12 -14.286  -0.695   6.030
  105    HB   THR  12           HB       THR  12 -11.850  -1.545   4.436
  106    HG1  THR  12           HG1      THR  12 -13.324  -1.515   2.904
  107   1HG2  THR  12          HG21      THR  12 -12.044  -2.872   6.393
  108   2HG2  THR  12          HG22      THR  12 -12.805  -3.829   5.122
  109   3HG2  THR  12          HG23      THR  12 -13.802  -2.936   6.271
  110    H    LEU  13           HN       LEU  13 -11.256   0.962   5.193
  111    HA   LEU  13           HA       LEU  13 -10.628   1.122   8.114
  112   1HB   LEU  13          HB2       LEU  13  -8.987  -0.038   5.871
  113   2HB   LEU  13          HB1       LEU  13  -8.188   0.649   7.286
  114    HG   LEU  13           HG       LEU  13 -10.407  -1.382   7.549
  115   1HD1  LEU  13          HD11      LEU  13  -7.454  -2.024   7.606
  116   2HD1  LEU  13          HD12      LEU  13  -8.422  -2.199   6.142
  117   3HD1  LEU  13          HD13      LEU  13  -8.812  -3.150   7.576
  118   1HD2  LEU  13          HD21      LEU  13  -9.463   0.168   9.447
  119   2HD2  LEU  13          HD22      LEU  13  -8.088  -0.935   9.413
  120   3HD2  LEU  13          HD23      LEU  13  -9.701  -1.548   9.777
  121    H    LYS  14           HN       LYS  14  -8.863   2.782   8.502
  122    HA   LYS  14           HA       LYS  14  -8.578   4.827   6.359
  123   1HB   LYS  14          HB2       LYS  14 -10.229   4.956   8.815
  124   2HB   LYS  14          HB1       LYS  14  -9.223   6.374   8.520
  125   1HG   LYS  14          HG2       LYS  14 -10.148   6.198   6.075
  126   2HG   LYS  14          HG1       LYS  14 -11.425   5.235   6.820
  127   1HD   LYS  14          HD2       LYS  14 -12.263   7.447   6.884
  128   2HD   LYS  14          HD1       LYS  14 -11.641   7.175   8.512
  129   1HE   LYS  14          HE2       LYS  14 -10.715   9.275   7.961
  130   2HE   LYS  14          HE1       LYS  14  -9.404   8.163   7.517
  131   1HZ   LYS  14          HZ1       LYS  14  -9.897   9.654   5.682
  132   2HZ   LYS  14          HZ2       LYS  14 -11.527   9.172   5.695
  133   3HZ   LYS  14          HZ3       LYS  14 -10.313   8.062   5.269
  134    H    GLY  15           HN       GLY  15  -6.577   5.826   6.485
  135   1HA   GLY  15          HA2       GLY  15  -4.895   6.828   8.135
  136   2HA   GLY  15          HA1       GLY  15  -4.917   5.240   8.903
  137    H    GLU  16           HN       GLU  16  -2.871   4.477   8.463
  138    HA   GLU  16           HA       GLU  16  -2.247   3.821   5.653
  139   1HB   GLU  16          HB2       GLU  16  -0.056   5.003   5.787
  140   2HB   GLU  16          HB1       GLU  16  -1.416   6.116   5.925
  141   1HG   GLU  16          HG2       GLU  16  -1.178   5.886   8.457
  142   2HG   GLU  16          HG1       GLU  16   0.358   5.077   8.145
  143    H    THR  17           HN       THR  17  -0.625   2.165   5.502
  144    HA   THR  17           HA       THR  17   0.148   0.918   8.123
  145    HB   THR  17           HB       THR  17  -0.405  -0.502   5.507
  146    HG1  THR  17           HG1      THR  17  -2.167   0.039   7.662
  147   1HG2  THR  17          HG21      THR  17  -0.896  -2.372   7.180
  148   2HG2  THR  17          HG22      THR  17  -0.166  -1.331   8.402
  149   3HG2  THR  17          HG23      THR  17   0.793  -1.888   7.030
  150    H    THR  18           HN       THR  18   2.183  -0.343   8.014
  151    HA   THR  18           HA       THR  18   4.022   0.549   5.814
  152    HB   THR  18           HB       THR  18   5.744   0.609   7.707
  153    HG1  THR  18           HG1      THR  18   3.402   0.651   9.299
  154   1HG2  THR  18          HG21      THR  18   5.220   2.764   7.170
  155   2HG2  THR  18          HG22      THR  18   4.399   2.730   8.731
  156   3HG2  THR  18          HG23      THR  18   3.483   2.469   7.247
  157    H    THR  19           HN       THR  19   6.109  -0.891   5.922
  158    HA   THR  19           HA       THR  19   5.833  -3.591   6.993
  159    HB   THR  19           HB       THR  19   4.231  -3.655   5.125
  160    HG1  THR  19           HG1      THR  19   4.955  -5.548   4.603
  161   1HG2  THR  19          HG21      THR  19   5.307  -1.802   3.824
  162   2HG2  THR  19          HG22      THR  19   4.918  -3.212   2.840
  163   3HG2  THR  19          HG23      THR  19   6.581  -2.928   3.355
  164    H    GLU  20           HN       GLU  20   7.582  -5.006   5.547
  165    HA   GLU  20           HA       GLU  20  10.011  -3.274   5.225
  166   1HB   GLU  20          HB2       GLU  20   9.519  -5.830   6.745
  167   2HB   GLU  20          HB1       GLU  20  11.145  -5.416   6.202
  168   1HG   GLU  20          HG2       GLU  20  10.821  -3.158   7.326
  169   2HG   GLU  20          HG1       GLU  20   9.359  -3.824   8.055
  170    H    ALA  21           HN       ALA  21  10.152  -3.347   2.969
  171    HA   ALA  21           HA       ALA  21  10.443  -6.068   1.738
  172   1HB   ALA  21          HB1       ALA  21   8.255  -4.910   1.267
  173   2HB   ALA  21          HB2       ALA  21   9.207  -5.227  -0.183
  174   3HB   ALA  21          HB3       ALA  21   9.166  -3.604   0.507
  175    H    VAL  22           HN       VAL  22  11.939  -6.120  -0.070
  176    HA   VAL  22           HA       VAL  22  14.208  -4.320   0.212
  177    HB   VAL  22           HB       VAL  22  14.409  -6.713  -0.323
  178   1HG1  VAL  22          HG11      VAL  22  12.743  -5.912  -2.701
  179   2HG1  VAL  22          HG12      VAL  22  12.513  -7.263  -1.592
  180   3HG1  VAL  22          HG13      VAL  22  13.810  -7.313  -2.785
  181   1HG2  VAL  22          HG21      VAL  22  16.101  -6.523  -1.968
  182   2HG2  VAL  22          HG22      VAL  22  16.043  -4.925  -1.224
  183   3HG2  VAL  22          HG23      VAL  22  15.273  -5.198  -2.787
  184    H    ASP  23           HN       ASP  23  11.375  -4.419  -1.846
  185    HA   ASP  23           HA       ASP  23  11.894  -1.770  -2.900
  186   1HB   ASP  23          HB2       ASP  23  12.195  -2.522  -5.276
  187   2HB   ASP  23          HB1       ASP  23  13.528  -2.998  -4.227
  188    H    ALA  24           HN       ALA  24  10.240  -1.351  -4.791
  189    HA   ALA  24           HA       ALA  24   7.615  -1.782  -3.868
  190   1HB   ALA  24          HB1       ALA  24   7.720  -0.043  -5.355
  191   2HB   ALA  24          HB2       ALA  24   7.276  -1.293  -6.518
  192   3HB   ALA  24          HB3       ALA  24   8.966  -0.826  -6.328
  193    H    ALA  25           HN       ALA  25   9.601  -3.756  -6.009
  194    HA   ALA  25           HA       ALA  25   7.614  -5.375  -7.231
  195   1HB   ALA  25          HB1       ALA  25   9.450  -6.556  -7.946
  196   2HB   ALA  25          HB2       ALA  25  10.140  -6.655  -6.327
  197   3HB   ALA  25          HB3       ALA  25  10.320  -5.177  -7.273
  198    H    THR  26           HN       THR  26   8.805  -5.370  -3.934
  199    HA   THR  26           HA       THR  26   7.306  -7.903  -3.366
  200    HB   THR  26           HB       THR  26   9.419  -6.464  -1.732
  201    HG1  THR  26           HG1      THR  26  10.721  -7.213  -3.178
  202   1HG2  THR  26          HG21      THR  26   8.886  -9.390  -1.566
  203   2HG2  THR  26          HG22      THR  26   7.689  -8.311  -0.850
  204   3HG2  THR  26          HG23      THR  26   9.364  -8.260  -0.299
  205    H    ALA  27           HN       ALA  27   7.605  -4.492  -2.560
  206    HA   ALA  27           HA       ALA  27   6.085  -4.407  -0.146
  207   1HB   ALA  27          HB1       ALA  27   7.435  -2.650  -1.741
  208   2HB   ALA  27          HB2       ALA  27   6.363  -2.152  -0.432
  209   3HB   ALA  27          HB3       ALA  27   5.769  -2.193  -2.092
  210    H    GLU  28           HN       GLU  28   4.998  -3.841  -3.515
  211    HA   GLU  28           HA       GLU  28   2.221  -3.532  -2.990
  212   1HB   GLU  28          HB2       GLU  28   3.784  -3.311  -5.134
  213   2HB   GLU  28          HB1       GLU  28   3.201  -4.947  -5.445
  214   1HG   GLU  28          HG2       GLU  28   0.854  -4.097  -5.161
  215   2HG   GLU  28          HG1       GLU  28   1.510  -2.464  -5.049
  216    H    LYS  29           HN       LYS  29   4.121  -6.500  -3.584
  217    HA   LYS  29           HA       LYS  29   1.995  -8.375  -3.749
  218   1HB   LYS  29          HB2       LYS  29   4.817  -8.508  -2.662
  219   2HB   LYS  29          HB1       LYS  29   3.800  -9.938  -2.836
  220   1HG   LYS  29          HG2       LYS  29   3.498  -9.361  -5.257
  221   2HG   LYS  29          HG1       LYS  29   4.663  -8.053  -5.046
  222   1HD   LYS  29          HD2       LYS  29   6.376  -9.672  -4.342
  223   2HD   LYS  29          HD1       LYS  29   5.215 -10.988  -4.516
  224   1HE   LYS  29          HE2       LYS  29   5.744  -9.161  -6.853
  225   2HE   LYS  29          HE1       LYS  29   6.851 -10.504  -6.506
  226   1HZ   LYS  29          HZ1       LYS  29   5.064 -12.043  -6.560
  227   2HZ   LYS  29          HZ2       LYS  29   4.926 -11.099  -7.965
  228   3HZ   LYS  29          HZ3       LYS  29   3.903 -10.811  -6.640
  229    H    VAL  30           HN       VAL  30   3.622  -7.005  -0.901
  230    HA   VAL  30           HA       VAL  30   2.081  -8.617   1.005
  231    HB   VAL  30           HB       VAL  30   3.893  -6.190   1.282
  232   1HG1  VAL  30          HG11      VAL  30   2.549  -7.989   3.284
  233   2HG1  VAL  30          HG12      VAL  30   2.723  -6.233   3.309
  234   3HG1  VAL  30          HG13      VAL  30   4.112  -7.263   3.664
  235   1HG2  VAL  30          HG21      VAL  30   4.335  -9.162   1.234
  236   2HG2  VAL  30          HG22      VAL  30   5.397  -8.145   2.208
  237   3HG2  VAL  30          HG23      VAL  30   5.279  -7.884   0.468
  238    H    PHE  31           HN       PHE  31   2.183  -5.153   0.091
  239    HA   PHE  31           HA       PHE  31  -0.004  -4.335   1.758
  240   1HB   PHE  31          HB2       PHE  31   1.494  -3.280  -0.612
  241   2HB   PHE  31          HB1       PHE  31   0.004  -2.465  -0.141
  242    HD1  PHE  31           HD1      PHE  31  -0.048  -2.572   2.748
  243    HD2  PHE  31           HD2      PHE  31   3.317  -2.037   0.131
  244    HE1  PHE  31           HE1      PHE  31   1.171  -1.394   4.557
  245    HE2  PHE  31           HE2      PHE  31   4.535  -0.863   1.942
  246    HZ   PHE  31           HZ       PHE  31   3.464  -0.541   4.154
  247    H    LYS  32           HN       LYS  32   0.123  -5.638  -1.537
  248    HA   LYS  32           HA       LYS  32  -2.577  -5.026  -2.298
  249   1HB   LYS  32          HB2       LYS  32  -0.766  -5.742  -3.835
  250   2HB   LYS  32          HB1       LYS  32  -0.758  -7.335  -3.078
  251   1HG   LYS  32          HG2       LYS  32  -2.878  -7.890  -3.934
  252   2HG   LYS  32          HG1       LYS  32  -3.298  -6.204  -4.238
  253   1HD   LYS  32          HD2       LYS  32  -0.942  -7.391  -5.665
  254   2HD   LYS  32          HD1       LYS  32  -2.567  -7.768  -6.238
  255   1HE   LYS  32          HE2       LYS  32  -2.882  -5.665  -7.069
  256   2HE   LYS  32          HE1       LYS  32  -2.122  -4.900  -5.659
  257   1HZ   LYS  32          HZ1       LYS  32  -0.803  -4.748  -7.768
  258   2HZ   LYS  32          HZ2       LYS  32  -0.603  -6.434  -7.696
  259   3HZ   LYS  32          HZ3       LYS  32   0.024  -5.448  -6.462
  260    H    GLN  33           HN       GLN  33  -1.121  -7.936  -0.802
  261    HA   GLN  33           HA       GLN  33  -3.522  -9.459  -0.540
  262   1HB   GLN  33          HB2       GLN  33  -0.792  -9.395   0.611
  263   2HB   GLN  33          HB1       GLN  33  -2.004 -10.284   1.531
  264   1HG   GLN  33          HG2       GLN  33  -2.020 -10.790  -1.386
  265   2HG   GLN  33          HG1       GLN  33  -0.589 -11.366  -0.531
  266   1HE2  GLN  33          HE21      GLN  33  -4.124 -11.702  -0.734
  267   2HE2  GLN  33          HE22      GLN  33  -4.208 -13.144   0.158
  268    H    TYR  34           HN       TYR  34  -2.112  -6.932   1.392
  269    HA   TYR  34           HA       TYR  34  -3.783  -7.209   3.735
  270   1HB   TYR  34          HB2       TYR  34  -1.752  -6.011   3.961
  271   2HB   TYR  34          HB1       TYR  34  -2.022  -5.091   2.487
  272    HD1  TYR  34           HD1      TYR  34  -2.952  -5.447   6.045
  273    HD2  TYR  34           HD2      TYR  34  -3.369  -3.088   2.485
  274    HE1  TYR  34           HE1      TYR  34  -3.937  -3.600   7.384
  275    HE2  TYR  34           HE2      TYR  34  -4.352  -1.243   3.812
  276    HH   TYR  34           HH       TYR  34  -5.661  -1.146   6.136
  277    H    ALA  35           HN       ALA  35  -3.993  -5.233   0.769
  278    HA   ALA  35           HA       ALA  35  -6.531  -3.993   1.527
  279   1HB   ALA  35          HB1       ALA  35  -4.580  -3.984  -0.711
  280   2HB   ALA  35          HB2       ALA  35  -5.405  -2.628   0.065
  281   3HB   ALA  35          HB3       ALA  35  -6.243  -3.592  -1.152
  282    H    ASN  36           HN       ASN  36  -5.504  -6.652  -0.608
  283    HA   ASN  36           HA       ASN  36  -7.967  -7.210  -1.874
  284   1HB   ASN  36          HB2       ASN  36  -5.434  -8.616  -1.231
  285   2HB   ASN  36          HB1       ASN  36  -6.800  -9.651  -1.647
  286   1HD2  ASN  36          HD21      ASN  36  -8.083  -8.675  -3.698
  287   2HD2  ASN  36          HD22      ASN  36  -7.086  -8.196  -4.986
  288    H    ASP  37           HN       ASP  37  -6.606  -8.695   1.086
  289    HA   ASP  37           HA       ASP  37  -8.869 -10.314   1.740
  290   1HB   ASP  37          HB2       ASP  37  -6.485 -10.371   2.643
  291   2HB   ASP  37          HB1       ASP  37  -6.924  -8.998   3.658
  292    H    ASN  38           HN       ASN  38  -7.950  -7.044   2.871
  293    HA   ASN  38           HA       ASN  38 -10.240  -6.635   4.562
  294   1HB   ASN  38          HB2       ASN  38  -8.167  -4.933   3.196
  295   2HB   ASN  38          HB1       ASN  38  -9.511  -4.156   4.033
  296   1HD2  ASN  38          HD21      ASN  38  -6.406  -4.818   4.612
  297   2HD2  ASN  38          HD22      ASN  38  -6.457  -5.237   6.255
  298    H    GLY  39           HN       GLY  39  -9.568  -5.668   1.186
  299   1HA   GLY  39          HA2       GLY  39 -11.483  -5.922  -0.422
  300   2HA   GLY  39          HA1       GLY  39 -12.506  -5.224   0.833
  301    H    ILE  40           HN       ILE  40  -9.246  -4.116  -0.034
  302    HA   ILE  40           HA       ILE  40 -10.430  -1.450  -0.689
  303    HB   ILE  40           HB       ILE  40  -7.623  -2.326   0.081
  304   1HG1  ILE  40          HG12      ILE  40  -9.743  -0.805   1.636
  305   2HG1  ILE  40          HG11      ILE  40  -9.354  -2.508   1.874
  306   1HG2  ILE  40          HG21      ILE  40  -8.833   0.352  -0.612
  307   2HG2  ILE  40          HG22      ILE  40  -7.303  -0.340  -1.168
  308   3HG2  ILE  40          HG23      ILE  40  -7.461   0.249   0.489
  309   1HD1  ILE  40          HD11      ILE  40  -7.194  -0.414   2.040
  310   2HD1  ILE  40          HD12      ILE  40  -7.223  -2.028   2.749
  311   3HD1  ILE  40          HD13      ILE  40  -8.227  -0.747   3.430
  312    H    ASP  41           HN       ASP  41 -10.960  -2.651  -2.856
  313    HA   ASP  41           HA       ASP  41  -8.636  -2.889  -4.688
  314   1HB   ASP  41          HB2       ASP  41 -10.754  -4.423  -4.453
  315   2HB   ASP  41          HB1       ASP  41 -11.550  -3.172  -5.409
  316    H    GLY  42           HN       GLY  42  -8.894  -0.289  -3.793
  317   1HA   GLY  42          HA2       GLY  42 -10.592   1.316  -5.523
  318   2HA   GLY  42          HA1       GLY  42  -9.350   1.922  -4.424
  319    H    GLU  43           HN       GLU  43  -8.165   3.221  -5.737
  320    HA   GLU  43           HA       GLU  43  -7.059   2.049  -8.219
  321   1HB   GLU  43          HB2       GLU  43  -6.912   4.385  -9.019
  322   2HB   GLU  43          HB1       GLU  43  -8.560   3.988  -8.545
  323   1HG   GLU  43          HG2       GLU  43  -8.508   5.814  -7.218
  324   2HG   GLU  43          HG1       GLU  43  -7.386   4.936  -6.185
  325    H    TRP  44           HN       TRP  44  -5.020   1.370  -7.799
  326    HA   TRP  44           HA       TRP  44  -3.473   2.480  -5.628
  327   1HB   TRP  44          HB2       TRP  44  -3.154   0.320  -7.681
  328   2HB   TRP  44          HB1       TRP  44  -1.790   0.788  -6.658
  329    HD1  TRP  44           HD1      TRP  44  -5.511  -0.177  -6.234
  330    HE1  TRP  44           HE1      TRP  44  -5.753  -1.450  -4.002
  331    HE3  TRP  44           HE3      TRP  44  -0.700   0.080  -4.544
  332    HZ2  TRP  44           HZ2      TRP  44  -4.123  -2.228  -1.790
  333    HZ3  TRP  44           HZ3      TRP  44  -0.072  -0.936  -2.373
  334    HH2  TRP  44           HH2      TRP  44  -1.777  -2.095  -0.995
  335    H    THR  45           HN       THR  45  -1.670   3.696  -5.713
  336    HA   THR  45           HA       THR  45  -0.451   4.491  -8.282
  337    HB   THR  45           HB       THR  45  -0.710   6.936  -7.392
  338    HG1  THR  45           HG1      THR  45  -2.443   7.242  -6.062
  339   1HG2  THR  45          HG21      THR  45  -1.878   5.738  -9.382
  340   2HG2  THR  45          HG22      THR  45  -2.582   7.237  -8.778
  341   3HG2  THR  45          HG23      THR  45  -3.285   5.685  -8.321
  342    H    TYR  46           HN       TYR  46   1.727   4.655  -7.926
  343    HA   TYR  46           HA       TYR  46   2.666   4.589  -5.094
  344   1HB   TYR  46          HB2       TYR  46   3.319   2.689  -6.389
  345   2HB   TYR  46          HB1       TYR  46   3.729   3.678  -7.784
  346    HD1  TYR  46           HD1      TYR  46   4.843   2.531  -4.449
  347    HD2  TYR  46           HD2      TYR  46   5.846   4.857  -7.919
  348    HE1  TYR  46           HE1      TYR  46   7.205   2.607  -3.713
  349    HE2  TYR  46           HE2      TYR  46   8.210   4.938  -7.180
  350    HH   TYR  46           HH       TYR  46   9.663   3.154  -5.494
  351    H    ASP  47           HN       ASP  47   3.731   6.362  -4.305
  352    HA   ASP  47           HA       ASP  47   4.484   8.549  -6.192
  353   1HB   ASP  47          HB2       ASP  47   3.923   8.362  -3.219
  354   2HB   ASP  47          HB1       ASP  47   4.533   9.832  -3.980
  355    H    ASP  48           HN       ASP  48   6.605   8.368  -6.808
  356    HA   ASP  48           HA       ASP  48   8.644   6.975  -5.335
  357   1HB   ASP  48          HB2       ASP  48  10.116   8.015  -7.049
  358   2HB   ASP  48          HB1       ASP  48   8.653   7.342  -7.768
  359    H    ALA  49           HN       ALA  49   7.452  10.264  -5.186
  360    HA   ALA  49           HA       ALA  49   9.631  11.686  -4.146
  361   1HB   ALA  49          HB1       ALA  49   7.741  12.957  -4.591
  362   2HB   ALA  49          HB2       ALA  49   7.616  12.831  -2.836
  363   3HB   ALA  49          HB3       ALA  49   6.653  11.773  -3.867
  364    H    THR  50           HN       THR  50   7.369   9.532  -2.437
  365    HA   THR  50           HA       THR  50   9.296   9.405  -0.160
  366    HB   THR  50           HB       THR  50   7.377   9.733   1.393
  367    HG1  THR  50           HG1      THR  50   5.759   9.029  -0.055
  368   1HG2  THR  50          HG21      THR  50   7.161  12.115   1.073
  369   2HG2  THR  50          HG22      THR  50   7.552  11.969  -0.641
  370   3HG2  THR  50          HG23      THR  50   8.789  11.654   0.577
  371    H    LYS  51           HN       LYS  51   7.931   7.616  -2.447
  372    HA   LYS  51           HA       LYS  51   7.224   5.371  -2.649
  373   1HB   LYS  51          HB2       LYS  51   9.314   5.663  -0.657
  374   2HB   LYS  51          HB1       LYS  51   8.276   4.299  -0.244
  375   1HG   LYS  51          HG2       LYS  51   9.705   3.220  -1.688
  376   2HG   LYS  51          HG1       LYS  51   8.535   3.818  -2.867
  377   1HD   LYS  51          HD2       LYS  51   9.956   5.450  -3.659
  378   2HD   LYS  51          HD1       LYS  51  10.764   5.649  -2.104
  379   1HE   LYS  51          HE2       LYS  51  11.964   3.525  -2.422
  380   2HE   LYS  51          HE1       LYS  51  11.119   3.267  -3.962
  381   1HZ   LYS  51          HZ1       LYS  51  12.851   5.587  -3.284
  382   2HZ   LYS  51          HZ2       LYS  51  11.985   5.405  -4.734
  383   3HZ   LYS  51          HZ3       LYS  51  13.246   4.332  -4.354
  384    H    THR  52           HN       THR  52   4.924   5.849  -2.302
  385    HA   THR  52           HA       THR  52   3.913   4.658   0.226
  386    HB   THR  52           HB       THR  52   3.148   7.409  -0.802
  387    HG1  THR  52           HG1      THR  52   4.272   8.132   0.994
  388   1HG2  THR  52          HG21      THR  52   1.873   7.569   1.297
  389   2HG2  THR  52          HG22      THR  52   2.353   5.925   1.720
  390   3HG2  THR  52          HG23      THR  52   1.306   6.208   0.329
  391    H    PHE  53           HN       PHE  53   2.761   2.990  -0.761
  392    HA   PHE  53           HA       PHE  53   1.367   3.148  -3.270
  393   1HB   PHE  53          HB2       PHE  53   1.094   1.412  -0.795
  394   2HB   PHE  53          HB1       PHE  53   0.188   1.105  -2.276
  395    HD1  PHE  53           HD1      PHE  53   1.323   0.397  -4.330
  396    HD2  PHE  53           HD2      PHE  53   3.509   1.072  -0.696
  397    HE1  PHE  53           HE1      PHE  53   3.277  -0.794  -5.285
  398    HE2  PHE  53           HE2      PHE  53   5.464  -0.121  -1.646
  399    HZ   PHE  53           HZ       PHE  53   5.347  -1.055  -3.945
  400    H    THR  54           HN       THR  54  -0.493   4.323  -3.692
  401    HA   THR  54           HA       THR  54  -2.203   5.067  -1.329
  402    HB   THR  54           HB       THR  54  -1.718   6.484  -3.963
  403    HG1  THR  54           HG1      THR  54  -0.787   7.036  -1.345
  404   1HG2  THR  54          HG21      THR  54  -3.159   8.129  -3.285
  405   2HG2  THR  54          HG22      THR  54  -2.798   7.885  -1.577
  406   3HG2  THR  54          HG23      THR  54  -3.904   6.793  -2.408
  407    H    VAL  55           HN       VAL  55  -3.939   3.587  -1.393
  408    HA   VAL  55           HA       VAL  55  -5.361   3.272  -3.970
  409    HB   VAL  55           HB       VAL  55  -4.596   1.189  -2.779
  410   1HG1  VAL  55          HG11      VAL  55  -4.995   2.184  -0.470
  411   2HG1  VAL  55          HG12      VAL  55  -5.575   0.530  -0.706
  412   3HG1  VAL  55          HG13      VAL  55  -6.711   1.889  -0.760
  413   1HG2  VAL  55          HG21      VAL  55  -7.601   1.493  -2.852
  414   2HG2  VAL  55          HG22      VAL  55  -6.685   0.000  -3.034
  415   3HG2  VAL  55          HG23      VAL  55  -6.599   1.243  -4.282
  416    H    THR  56           HN       THR  56  -7.775   3.246  -3.757
  417    HA   THR  56           HA       THR  56  -9.038   4.555  -1.465
  418    HB   THR  56           HB       THR  56  -8.610   5.941  -4.129
  419    HG1  THR  56           HG1      THR  56  -7.089   6.956  -3.127
  420   1HG2  THR  56          HG21      THR  56 -10.623   6.897  -3.657
  421   2HG2  THR  56          HG22      THR  56  -9.711   7.819  -2.462
  422   3HG2  THR  56          HG23      THR  56 -10.584   6.366  -1.975
  423    H    GLU  57           HN       GLU  57 -10.927   3.341  -1.424
  424    HA   GLU  57           HA       GLU  57 -12.224   2.666  -4.045
  425   1HB   GLU  57          HB2       GLU  57 -13.182   0.753  -2.765
  426   2HB   GLU  57          HB1       GLU  57 -11.420   0.750  -2.737
  427   1HG   GLU  57          HG2       GLU  57 -11.319   1.230  -0.498
  428   2HG   GLU  57          HG1       GLU  57 -12.764   2.238  -0.542
  Start of MODEL   17
    1   1H    MET   1          HT1       MET   1 -17.513   2.967   3.774
    2   2H    MET   1          HT2       MET   1 -16.529   1.820   4.550
    3   3H    MET   1          HT3       MET   1 -17.538   1.349   3.267
    4    HA   MET   1           HA       MET   1 -16.243   2.733   1.730
    5   1HB   MET   1          HB2       MET   1 -15.147   3.478   4.392
    6   2HB   MET   1          HB1       MET   1 -13.979   3.390   3.073
    7   1HG   MET   1          HG2       MET   1 -15.285   4.950   1.743
    8   2HG   MET   1          HG1       MET   1 -16.573   4.954   2.947
    9   1HE   MET   1          HE1       MET   1 -13.522   6.142   1.588
   10   2HE   MET   1          HE2       MET   1 -12.933   7.452   2.608
   11   3HE   MET   1          HE3       MET   1 -14.475   7.621   1.772
   12    H    THR   2           HN       THR   2 -13.890   2.040   1.066
   13    HA   THR   2           HA       THR   2 -13.629  -0.873   1.643
   14    HB   THR   2           HB       THR   2 -12.437   0.920  -0.498
   15    HG1  THR   2           HG1      THR   2 -14.696   0.706  -0.627
   16   1HG2  THR   2          HG21      THR   2 -11.100  -1.102  -0.096
   17   2HG2  THR   2          HG22      THR   2 -11.945  -1.216  -1.643
   18   3HG2  THR   2          HG23      THR   2 -12.550  -2.097  -0.241
   19    H    THR   3           HN       THR   3 -12.214  -1.273   3.299
   20    HA   THR   3           HA       THR   3  -9.985   0.530   3.860
   21    HB   THR   3           HB       THR   3 -11.376  -0.379   5.662
   22    HG1  THR   3           HG1      THR   3  -9.225  -0.013   6.163
   23   1HG2  THR   3          HG21      THR   3 -11.225  -2.765   4.149
   24   2HG2  THR   3          HG22      THR   3 -12.066  -2.520   5.679
   25   3HG2  THR   3          HG23      THR   3 -10.399  -3.095   5.672
   26    H    PHE   4           HN       PHE   4  -8.305   0.264   2.399
   27    HA   PHE   4           HA       PHE   4  -7.522  -2.416   1.441
   28   1HB   PHE   4          HB2       PHE   4  -6.560   0.421   1.010
   29   2HB   PHE   4          HB1       PHE   4  -5.787  -0.966   0.247
   30    HD1  PHE   4           HD1      PHE   4  -8.746   1.181   0.360
   31    HD2  PHE   4           HD2      PHE   4  -6.996  -2.306  -1.433
   32    HE1  PHE   4           HE1      PHE   4 -10.467   1.235  -1.418
   33    HE2  PHE   4           HE2      PHE   4  -8.721  -2.254  -3.215
   34    HZ   PHE   4           HZ       PHE   4 -10.454  -0.481  -3.207
   35    H    LYS   5           HN       LYS   5  -4.986  -2.766   1.492
   36    HA   LYS   5           HA       LYS   5  -3.769  -1.839   4.047
   37   1HB   LYS   5          HB2       LYS   5  -5.118  -3.945   4.402
   38   2HB   LYS   5          HB1       LYS   5  -4.040  -4.758   3.266
   39   1HG   LYS   5          HG2       LYS   5  -2.141  -3.808   4.807
   40   2HG   LYS   5          HG1       LYS   5  -3.432  -3.671   6.001
   41   1HD   LYS   5          HD2       LYS   5  -3.128  -6.243   4.491
   42   2HD   LYS   5          HD1       LYS   5  -2.023  -5.899   5.823
   43   1HE   LYS   5          HE2       LYS   5  -4.033  -5.448   7.285
   44   2HE   LYS   5          HE1       LYS   5  -5.053  -6.035   5.956
   45   1HZ   LYS   5          HZ1       LYS   5  -2.845  -7.525   7.275
   46   2HZ   LYS   5          HZ2       LYS   5  -3.703  -8.072   5.915
   47   3HZ   LYS   5          HZ3       LYS   5  -4.501  -7.868   7.401
   48    H    LEU   6           HN       LEU   6  -1.807  -1.064   3.372
   49    HA   LEU   6           HA       LEU   6  -0.472  -2.248   1.003
   50   1HB   LEU   6          HB2       LEU   6  -0.688   0.176   1.148
   51   2HB   LEU   6          HB1       LEU   6   0.041   0.182   2.751
   52    HG   LEU   6           HG       LEU   6   2.139  -0.773   1.719
   53   1HD1  LEU   6          HD11      LEU   6   1.350  -1.766  -0.291
   54   2HD1  LEU   6          HD12      LEU   6   2.281  -0.363  -0.814
   55   3HD1  LEU   6          HD13      LEU   6   0.517  -0.293  -0.784
   56   1HD2  LEU   6          HD21      LEU   6   1.004   1.923   1.142
   57   2HD2  LEU   6          HD22      LEU   6   2.493   1.484   0.305
   58   3HD2  LEU   6          HD23      LEU   6   2.441   1.483   2.069
   59    H    ILE   7           HN       ILE   7   1.056  -3.829   1.308
   60    HA   ILE   7           HA       ILE   7   2.057  -4.528   3.942
   61    HB   ILE   7           HB       ILE   7   1.676  -5.882   1.673
   62   1HG1  ILE   7          HG12      ILE   7   3.346  -7.575   2.504
   63   2HG1  ILE   7          HG11      ILE   7   3.914  -6.365   3.653
   64   1HG2  ILE   7          HG21      ILE   7   3.473  -4.494   0.492
   65   2HG2  ILE   7          HG22      ILE   7   3.611  -6.245   0.339
   66   3HG2  ILE   7          HG23      ILE   7   4.649  -5.374   1.468
   67   1HD1  ILE   7          HD11      ILE   7   2.114  -8.030   4.474
   68   2HD1  ILE   7          HD12      ILE   7   0.994  -7.103   3.475
   69   3HD1  ILE   7          HD13      ILE   7   1.848  -6.318   4.804
   70    H    ILE   8           HN       ILE   8   4.601  -4.603   4.241
   71    HA   ILE   8           HA       ILE   8   5.806  -2.119   3.074
   72    HB   ILE   8           HB       ILE   8   5.855  -3.077   5.955
   73   1HG1  ILE   8          HG12      ILE   8   4.555  -0.619   4.744
   74   2HG1  ILE   8          HG11      ILE   8   3.683  -2.100   5.142
   75   1HG2  ILE   8          HG21      ILE   8   7.257  -1.295   6.468
   76   2HG2  ILE   8          HG22      ILE   8   6.776  -0.372   5.045
   77   3HG2  ILE   8          HG23      ILE   8   7.874  -1.742   4.879
   78   1HD1  ILE   8          HD11      ILE   8   5.159  -0.275   7.055
   79   2HD1  ILE   8          HD12      ILE   8   4.546  -1.866   7.507
   80   3HD1  ILE   8          HD13      ILE   8   3.426  -0.597   7.009
   81    H    ASN   9           HN       ASN   9   6.741  -3.986   1.671
   82    HA   ASN   9           HA       ASN   9   8.924  -5.482   3.034
   83   1HB   ASN   9          HB2       ASN   9   7.218  -5.763   0.676
   84   2HB   ASN   9          HB1       ASN   9   8.914  -6.034   0.281
   85   1HD2  ASN   9          HD21      ASN   9   6.272  -7.772   1.061
   86   2HD2  ASN   9          HD22      ASN   9   6.973  -9.020   1.973
   87    H    GLY  10           HN       GLY  10   9.348  -2.762   3.063
   88   1HA   GLY  10          HA2       GLY  10  11.265  -2.239   0.834
   89   2HA   GLY  10          HA1       GLY  10  10.498  -0.986   1.813
   90    H    LYS  11           HN       LYS  11  13.305  -1.182   1.439
   91    HA   LYS  11           HA       LYS  11  14.557  -2.446   3.747
   92   1HB   LYS  11          HB2       LYS  11  15.543  -1.909   1.452
   93   2HB   LYS  11          HB1       LYS  11  15.622  -0.229   1.983
   94   1HG   LYS  11          HG2       LYS  11  16.835  -1.258   4.085
   95   2HG   LYS  11          HG1       LYS  11  17.150  -2.607   2.993
   96   1HD   LYS  11          HD2       LYS  11  17.726   0.223   2.135
   97   2HD   LYS  11          HD1       LYS  11  18.895  -0.680   3.099
   98   1HE   LYS  11          HE2       LYS  11  18.478  -2.565   1.283
   99   2HE   LYS  11          HE1       LYS  11  17.976  -1.184   0.287
  100   1HZ   LYS  11          HZ1       LYS  11  20.371  -1.543   0.135
  101   2HZ   LYS  11          HZ2       LYS  11  20.517  -1.375   1.820
  102   3HZ   LYS  11          HZ3       LYS  11  20.028  -0.054   0.871
  103    H    THR  12           HN       THR  12  12.657   0.367   3.442
  104    HA   THR  12           HA       THR  12  14.106   1.818   5.591
  105    HB   THR  12           HB       THR  12  13.454   2.992   3.525
  106    HG1  THR  12           HG1      THR  12  12.519   4.713   4.553
  107   1HG2  THR  12          HG21      THR  12  10.698   2.048   4.312
  108   2HG2  THR  12          HG22      THR  12  11.527   1.831   2.772
  109   3HG2  THR  12          HG23      THR  12  10.942   3.425   3.242
  110    H    LEU  13           HN       LEU  13  11.145   0.013   4.976
  111    HA   LEU  13           HA       LEU  13  10.486   0.228   7.883
  112   1HB   LEU  13          HB2       LEU  13   8.868   1.084   5.503
  113   2HB   LEU  13          HB1       LEU  13   8.030   0.475   6.931
  114    HG   LEU  13           HG       LEU  13  10.132   2.641   7.098
  115   1HD1  LEU  13          HD11      LEU  13   7.162   3.147   7.132
  116   2HD1  LEU  13          HD12      LEU  13   8.062   3.165   5.616
  117   3HD1  LEU  13          HD13      LEU  13   8.474   4.302   6.900
  118   1HD2  LEU  13          HD21      LEU  13   7.822   2.267   8.969
  119   2HD2  LEU  13          HD22      LEU  13   9.443   2.875   9.303
  120   3HD2  LEU  13          HD23      LEU  13   9.179   1.146   9.080
  121    H    LYS  14           HN       LYS  14   8.888  -1.464   8.532
  122    HA   LYS  14           HA       LYS  14   8.570  -3.739   6.643
  123   1HB   LYS  14          HB2       LYS  14  10.730  -3.610   8.292
  124   2HB   LYS  14          HB1       LYS  14   9.575  -4.416   9.353
  125   1HG   LYS  14          HG2       LYS  14   9.106  -5.885   7.204
  126   2HG   LYS  14          HG1       LYS  14  10.724  -5.349   6.747
  127   1HD   LYS  14          HD2       LYS  14  11.741  -6.507   8.455
  128   2HD   LYS  14          HD1       LYS  14  10.358  -6.336   9.536
  129   1HE   LYS  14          HE2       LYS  14   9.146  -8.081   8.412
  130   2HE   LYS  14          HE1       LYS  14  10.314  -8.112   7.075
  131   1HZ   LYS  14          HZ1       LYS  14  10.869  -8.767   9.921
  132   2HZ   LYS  14          HZ2       LYS  14  12.050  -8.672   8.703
  133   3HZ   LYS  14          HZ3       LYS  14  10.841  -9.863   8.626
  134    H    GLY  15           HN       GLY  15   6.565  -4.659   6.939
  135   1HA   GLY  15          HA2       GLY  15   5.090  -5.579   8.877
  136   2HA   GLY  15          HA1       GLY  15   5.037  -3.889   9.378
  137    H    GLU  16           HN       GLU  16   2.994  -3.200   8.899
  138    HA   GLU  16           HA       GLU  16   2.155  -3.076   6.090
  139   1HB   GLU  16          HB2       GLU  16   0.089  -4.404   6.496
  140   2HB   GLU  16          HB1       GLU  16   1.545  -5.371   6.726
  141   1HG   GLU  16          HG2       GLU  16   1.162  -4.345   9.248
  142   2HG   GLU  16          HG1       GLU  16  -0.498  -4.551   8.692
  143    H    THR  17           HN       THR  17   0.202  -1.733   5.847
  144    HA   THR  17           HA       THR  17  -0.624  -0.241   8.307
  145    HB   THR  17           HB       THR  17   0.220   0.967   5.652
  146    HG1  THR  17           HG1      THR  17   1.983   1.731   6.990
  147   1HG2  THR  17          HG21      THR  17  -0.655   2.140   8.298
  148   2HG2  THR  17          HG22      THR  17  -1.386   2.388   6.713
  149   3HG2  THR  17          HG23      THR  17   0.197   3.079   7.072
  150    H    THR  18           HN       THR  18  -2.644   1.053   7.884
  151    HA   THR  18           HA       THR  18  -4.286  -0.023   5.619
  152    HB   THR  18           HB       THR  18  -6.146  -0.176   7.343
  153    HG1  THR  18           HG1      THR  18  -5.725   0.411   9.306
  154   1HG2  THR  18          HG21      THR  18  -5.294  -2.282   8.325
  155   2HG2  THR  18          HG22      THR  18  -3.664  -1.852   7.807
  156   3HG2  THR  18          HG23      THR  18  -4.916  -2.168   6.606
  157    H    THR  19           HN       THR  19  -6.329   1.345   5.355
  158    HA   THR  19           HA       THR  19  -6.346   4.045   6.482
  159    HB   THR  19           HB       THR  19  -4.500   4.179   4.856
  160    HG1  THR  19           HG1      THR  19  -6.814   5.403   3.779
  161   1HG2  THR  19          HG21      THR  19  -4.740   3.620   2.560
  162   2HG2  THR  19          HG22      THR  19  -6.495   3.508   2.690
  163   3HG2  THR  19          HG23      THR  19  -5.475   2.274   3.431
  164    H    GLU  20           HN       GLU  20  -8.136   5.364   5.389
  165    HA   GLU  20           HA       GLU  20 -10.395   3.544   4.688
  166   1HB   GLU  20          HB2       GLU  20 -10.221   6.428   5.622
  167   2HB   GLU  20          HB1       GLU  20 -11.732   5.566   5.323
  168   1HG   GLU  20          HG2       GLU  20 -11.025   3.846   6.999
  169   2HG   GLU  20          HG1       GLU  20  -9.611   4.837   7.363
  170    H    ALA  21           HN       ALA  21 -10.761   3.355   2.517
  171    HA   ALA  21           HA       ALA  21 -10.728   5.814   0.830
  172   1HB   ALA  21          HB1       ALA  21  -8.602   4.091   0.929
  173   2HB   ALA  21          HB2       ALA  21  -9.013   5.060  -0.485
  174   3HB   ALA  21          HB3       ALA  21  -9.547   3.382  -0.381
  175    H    VAL  22           HN       VAL  22 -12.307   5.737  -0.805
  176    HA   VAL  22           HA       VAL  22 -14.526   3.999  -0.589
  177    HB   VAL  22           HB       VAL  22 -15.120   5.001  -2.771
  178   1HG1  VAL  22          HG11      VAL  22 -13.776   7.247  -1.365
  179   2HG1  VAL  22          HG12      VAL  22 -14.921   6.283  -0.431
  180   3HG1  VAL  22          HG13      VAL  22 -15.449   7.099  -1.903
  181   1HG2  VAL  22          HG21      VAL  22 -13.348   6.709  -3.642
  182   2HG2  VAL  22          HG22      VAL  22 -13.163   5.008  -4.067
  183   3HG2  VAL  22          HG23      VAL  22 -12.196   5.702  -2.768
  184    H    ASP  23           HN       ASP  23 -11.628   3.797  -2.625
  185    HA   ASP  23           HA       ASP  23 -11.818   0.924  -2.898
  186   1HB   ASP  23          HB2       ASP  23 -13.613   2.141  -4.452
  187   2HB   ASP  23          HB1       ASP  23 -12.216   2.326  -5.513
  188    H    ALA  24           HN       ALA  24 -10.285   0.411  -5.050
  189    HA   ALA  24           HA       ALA  24  -7.659   1.116  -4.366
  190   1HB   ALA  24          HB1       ALA  24  -7.429   0.555  -6.992
  191   2HB   ALA  24          HB2       ALA  24  -9.087   0.013  -6.731
  192   3HB   ALA  24          HB3       ALA  24  -7.771  -0.688  -5.788
  193    H    ALA  25           HN       ALA  25  -9.991   2.951  -6.215
  194    HA   ALA  25           HA       ALA  25  -8.292   4.638  -7.749
  195   1HB   ALA  25          HB1       ALA  25 -10.245   5.980  -7.965
  196   2HB   ALA  25          HB2       ALA  25 -10.840   5.507  -6.373
  197   3HB   ALA  25          HB3       ALA  25 -10.857   4.347  -7.701
  198    H    THR  26           HN       THR  26  -9.288   4.861  -4.341
  199    HA   THR  26           HA       THR  26  -7.631   7.334  -4.033
  200    HB   THR  26           HB       THR  26  -9.630   6.076  -2.134
  201    HG1  THR  26           HG1      THR  26 -11.054   7.652  -3.047
  202   1HG2  THR  26          HG21      THR  26  -8.004   7.772  -1.241
  203   2HG2  THR  26          HG22      THR  26  -9.691   8.272  -1.123
  204   3HG2  THR  26          HG23      THR  26  -8.663   8.933  -2.394
  205    H    ALA  27           HN       ALA  27  -7.895   3.978  -3.045
  206    HA   ALA  27           HA       ALA  27  -6.310   3.953  -0.692
  207   1HB   ALA  27          HB1       ALA  27  -6.217   1.834  -2.839
  208   2HB   ALA  27          HB2       ALA  27  -7.687   2.126  -1.912
  209   3HB   ALA  27          HB3       ALA  27  -6.212   1.619  -1.088
  210    H    GLU  28           HN       GLU  28  -5.170   3.137  -3.996
  211    HA   GLU  28           HA       GLU  28  -2.387   3.084  -3.425
  212   1HB   GLU  28          HB2       GLU  28  -3.774   2.388  -5.505
  213   2HB   GLU  28          HB1       GLU  28  -3.589   4.067  -6.018
  214   1HG   GLU  28          HG2       GLU  28  -1.205   3.888  -6.070
  215   2HG   GLU  28          HG1       GLU  28  -1.235   2.343  -5.221
  216    H    LYS  29           HN       LYS  29  -4.454   5.831  -4.408
  217    HA   LYS  29           HA       LYS  29  -2.429   7.790  -4.784
  218   1HB   LYS  29          HB2       LYS  29  -5.276   7.937  -3.749
  219   2HB   LYS  29          HB1       LYS  29  -4.331   9.360  -4.187
  220   1HG   LYS  29          HG2       LYS  29  -3.943   8.153  -6.448
  221   2HG   LYS  29          HG1       LYS  29  -5.299   7.130  -5.970
  222   1HD   LYS  29          HD2       LYS  29  -6.691   9.168  -5.652
  223   2HD   LYS  29          HD1       LYS  29  -5.342  10.152  -6.222
  224   1HE   LYS  29          HE2       LYS  29  -5.453   8.419  -8.274
  225   2HE   LYS  29          HE1       LYS  29  -7.154   8.357  -7.770
  226   1HZ   LYS  29          HZ1       LYS  29  -5.623  10.870  -8.177
  227   2HZ   LYS  29          HZ2       LYS  29  -7.283  10.730  -7.844
  228   3HZ   LYS  29          HZ3       LYS  29  -6.665  10.199  -9.335
  229    H    VAL  30           HN       VAL  30  -4.038   6.676  -1.822
  230    HA   VAL  30           HA       VAL  30  -2.641   8.612  -0.106
  231    HB   VAL  30           HB       VAL  30  -4.372   6.166   0.413
  232   1HG1  VAL  30          HG11      VAL  30  -3.102   6.531   2.407
  233   2HG1  VAL  30          HG12      VAL  30  -4.666   7.299   2.687
  234   3HG1  VAL  30          HG13      VAL  30  -3.263   8.283   2.271
  235   1HG2  VAL  30          HG21      VAL  30  -6.192   7.572   0.369
  236   2HG2  VAL  30          HG22      VAL  30  -5.156   8.464  -0.746
  237   3HG2  VAL  30          HG23      VAL  30  -5.266   8.959   0.943
  238    H    PHE  31           HN       PHE  31  -2.553   5.059  -0.592
  239    HA   PHE  31           HA       PHE  31  -0.384   4.550   1.209
  240   1HB   PHE  31          HB2       PHE  31  -1.731   3.166  -1.083
  241   2HB   PHE  31          HB1       PHE  31  -0.218   2.494  -0.476
  242    HD1  PHE  31           HD1      PHE  31  -0.253   2.873   2.365
  243    HD2  PHE  31           HD2      PHE  31  -3.539   1.955  -0.244
  244    HE1  PHE  31           HE1      PHE  31  -1.469   1.840   4.261
  245    HE2  PHE  31           HE2      PHE  31  -4.754   0.924   1.654
  246    HZ   PHE  31           HZ       PHE  31  -3.721   0.868   3.907
  247    H    LYS  32           HN       LYS  32  -0.468   5.495  -2.205
  248    HA   LYS  32           HA       LYS  32   2.294   4.985  -2.810
  249   1HB   LYS  32          HB2       LYS  32   0.499   5.403  -4.475
  250   2HB   LYS  32          HB1       LYS  32   0.362   7.066  -3.900
  251   1HG   LYS  32          HG2       LYS  32   2.395   7.700  -4.822
  252   2HG   LYS  32          HG1       LYS  32   3.053   6.065  -4.756
  253   1HD   LYS  32          HD2       LYS  32   2.159   5.481  -6.774
  254   2HD   LYS  32          HD1       LYS  32   0.680   6.401  -6.499
  255   1HE   LYS  32          HE2       LYS  32   1.546   8.326  -7.428
  256   2HE   LYS  32          HE1       LYS  32   3.194   7.972  -6.871
  257   1HZ   LYS  32          HZ1       LYS  32   2.820   7.655  -9.317
  258   2HZ   LYS  32          HZ2       LYS  32   1.793   6.359  -8.929
  259   3HZ   LYS  32          HZ3       LYS  32   3.437   6.298  -8.507
  260    H    GLN  33           HN       GLN  33   0.575   7.889  -1.648
  261    HA   GLN  33           HA       GLN  33   2.827   9.642  -1.506
  262   1HB   GLN  33          HB2       GLN  33   0.422  10.284  -1.389
  263   2HB   GLN  33          HB1       GLN  33   0.320   9.527   0.201
  264   1HG   GLN  33          HG2       GLN  33   0.658  11.899   0.534
  265   2HG   GLN  33          HG1       GLN  33   2.157  11.075   0.969
  266   1HE2  GLN  33          HE21      GLN  33   3.992  11.266  -0.525
  267   2HE2  GLN  33          HE22      GLN  33   4.022  12.466  -1.725
  268    H    TYR  34           HN       TYR  34   1.688   7.110   0.578
  269    HA   TYR  34           HA       TYR  34   3.268   7.820   2.919
  270   1HB   TYR  34          HB2       TYR  34   1.342   6.533   3.331
  271   2HB   TYR  34          HB1       TYR  34   1.604   5.509   1.925
  272    HD1  TYR  34           HD1      TYR  34   2.938   3.520   2.065
  273    HD2  TYR  34           HD2      TYR  34   2.703   6.221   5.391
  274    HE1  TYR  34           HE1      TYR  34   4.023   1.824   3.509
  275    HE2  TYR  34           HE2      TYR  34   3.791   4.526   6.845
  276    HH   TYR  34           HH       TYR  34   4.044   2.019   6.869
  277    H    ALA  35           HN       ALA  35   3.568   5.256   0.423
  278    HA   ALA  35           HA       ALA  35   6.123   4.272   1.232
  279   1HB   ALA  35          HB1       ALA  35   6.012   3.853  -1.477
  280   2HB   ALA  35          HB2       ALA  35   4.314   4.162  -1.108
  281   3HB   ALA  35          HB3       ALA  35   5.173   2.851  -0.290
  282    H    ASN  36           HN       ASN  36   5.227   6.854  -1.054
  283    HA   ASN  36           HA       ASN  36   7.767   7.425  -2.139
  284   1HB   ASN  36          HB2       ASN  36   5.538   8.306  -2.863
  285   2HB   ASN  36          HB1       ASN  36   5.535   9.356  -1.445
  286   1HD2  ASN  36          HD21      ASN  36   7.539   8.601  -4.345
  287   2HD2  ASN  36          HD22      ASN  36   8.157  10.173  -4.509
  288    H    ASP  37           HN       ASP  37   6.186   8.905   0.715
  289    HA   ASP  37           HA       ASP  37   8.327  10.643   1.458
  290   1HB   ASP  37          HB2       ASP  37   5.881   9.465   2.647
  291   2HB   ASP  37          HB1       ASP  37   7.090  10.001   3.814
  292    H    ASN  38           HN       ASN  38   7.475   7.444   2.846
  293    HA   ASN  38           HA       ASN  38   9.794   7.169   4.490
  294   1HB   ASN  38          HB2       ASN  38   7.990   5.141   3.128
  295   2HB   ASN  38          HB1       ASN  38   9.136   4.740   4.408
  296   1HD2  ASN  38          HD21      ASN  38   5.917   5.591   3.882
  297   2HD2  ASN  38          HD22      ASN  38   5.545   6.166   5.435
  298    H    GLY  39           HN       GLY  39   9.142   5.926   1.195
  299   1HA   GLY  39          HA2       GLY  39  11.041   6.142  -0.443
  300   2HA   GLY  39          HA1       GLY  39  12.097   5.590   0.857
  301    H    ILE  40           HN       ILE  40   9.104   4.501  -0.796
  302    HA   ILE  40           HA       ILE  40  10.283   1.743  -0.827
  303    HB   ILE  40           HB       ILE  40   7.429   2.661  -0.333
  304   1HG1  ILE  40          HG12      ILE  40   9.410   1.167   1.418
  305   2HG1  ILE  40          HG11      ILE  40   9.041   2.885   1.561
  306   1HG2  ILE  40          HG21      ILE  40   6.933   0.646  -1.322
  307   2HG2  ILE  40          HG22      ILE  40   7.448  -0.006   0.236
  308   3HG2  ILE  40          HG23      ILE  40   8.577   0.036  -1.117
  309   1HD1  ILE  40          HD11      ILE  40   6.912   2.498   2.404
  310   2HD1  ILE  40          HD12      ILE  40   7.780   1.112   3.066
  311   3HD1  ILE  40          HD13      ILE  40   6.778   0.921   1.627
  312    H    ASP  41           HN       ASP  41  11.048   2.443  -3.016
  313    HA   ASP  41           HA       ASP  41   8.933   2.733  -5.090
  314   1HB   ASP  41          HB2       ASP  41  11.365   3.913  -4.693
  315   2HB   ASP  41          HB1       ASP  41  11.816   2.607  -5.789
  316    H    GLY  42           HN       GLY  42   8.989   0.229  -3.788
  317   1HA   GLY  42          HA2       GLY  42  10.600  -1.702  -5.219
  318   2HA   GLY  42          HA1       GLY  42   9.256  -2.062  -4.132
  319    H    GLU  43           HN       GLU  43   8.136  -3.486  -5.384
  320    HA   GLU  43           HA       GLU  43   7.115  -2.487  -7.977
  321   1HB   GLU  43          HB2       GLU  43   7.055  -4.843  -8.694
  322   2HB   GLU  43          HB1       GLU  43   8.675  -4.421  -8.148
  323   1HG   GLU  43          HG2       GLU  43   7.970  -5.356  -5.856
  324   2HG   GLU  43          HG1       GLU  43   6.582  -6.047  -6.694
  325    H    TRP  44           HN       TRP  44   5.069  -1.811  -7.618
  326    HA   TRP  44           HA       TRP  44   3.493  -2.773  -5.414
  327   1HB   TRP  44          HB2       TRP  44   3.145  -0.854  -7.690
  328   2HB   TRP  44          HB1       TRP  44   1.777  -1.256  -6.644
  329    HD1  TRP  44           HD1      TRP  44   5.456  -0.122  -6.275
  330    HE1  TRP  44           HE1      TRP  44   5.616   1.386  -4.187
  331    HE3  TRP  44           HE3      TRP  44   0.629  -0.374  -4.628
  332    HZ2  TRP  44           HZ2      TRP  44   3.927   2.327  -2.088
  333    HZ3  TRP  44           HZ3      TRP  44  -0.068   0.841  -2.584
  334    HH2  TRP  44           HH2      TRP  44   1.574   2.196  -1.314
  335    H    THR  45           HN       THR  45   1.713  -4.039  -5.406
  336    HA   THR  45           HA       THR  45   0.603  -5.163  -7.903
  337    HB   THR  45           HB       THR  45   0.926  -7.482  -6.758
  338    HG1  THR  45           HG1      THR  45   2.356  -7.574  -5.178
  339   1HG2  THR  45          HG21      THR  45   3.575  -6.399  -7.573
  340   2HG2  THR  45          HG22      THR  45   2.257  -6.242  -8.734
  341   3HG2  THR  45          HG23      THR  45   2.725  -7.836  -8.140
  342    H    TYR  46           HN       TYR  46  -1.580  -5.399  -7.598
  343    HA   TYR  46           HA       TYR  46  -2.631  -5.019  -4.831
  344   1HB   TYR  46          HB2       TYR  46  -3.311  -3.352  -6.415
  345   2HB   TYR  46          HB1       TYR  46  -3.651  -4.557  -7.650
  346    HD1  TYR  46           HD1      TYR  46  -5.811  -5.428  -7.906
  347    HD2  TYR  46           HD2      TYR  46  -4.790  -3.378  -4.271
  348    HE1  TYR  46           HE1      TYR  46  -8.184  -5.490  -7.202
  349    HE2  TYR  46           HE2      TYR  46  -7.157  -3.441  -3.568
  350    HH   TYR  46           HH       TYR  46  -9.557  -3.677  -5.230
  351    H    ASP  47           HN       ASP  47  -3.156  -6.937  -3.864
  352    HA   ASP  47           HA       ASP  47  -3.918  -9.308  -5.454
  353   1HB   ASP  47          HB2       ASP  47  -3.231  -8.638  -2.604
  354   2HB   ASP  47          HB1       ASP  47  -4.035 -10.167  -2.960
  355    H    ASP  48           HN       ASP  48  -6.041  -9.504  -6.036
  356    HA   ASP  48           HA       ASP  48  -8.193  -8.021  -4.780
  357   1HB   ASP  48          HB2       ASP  48  -8.001  -8.802  -7.181
  358   2HB   ASP  48          HB1       ASP  48  -8.329 -10.438  -6.606
  359    H    ALA  49           HN       ALA  49  -6.664 -11.039  -4.027
  360    HA   ALA  49           HA       ALA  49  -8.725 -12.614  -2.968
  361   1HB   ALA  49          HB1       ALA  49  -5.817 -12.226  -2.570
  362   2HB   ALA  49          HB2       ALA  49  -6.716 -13.708  -2.895
  363   3HB   ALA  49          HB3       ALA  49  -6.650 -13.058  -1.257
  364    H    THR  50           HN       THR  50  -6.993  -9.900  -1.446
  365    HA   THR  50           HA       THR  50  -9.200  -9.640   0.533
  366    HB   THR  50           HB       THR  50  -7.525  -9.612   2.373
  367    HG1  THR  50           HG1      THR  50  -5.727 -10.471   0.359
  368   1HG2  THR  50          HG21      THR  50  -8.688 -11.736   1.584
  369   2HG2  THR  50          HG22      THR  50  -7.184 -11.978   2.474
  370   3HG2  THR  50          HG23      THR  50  -7.202 -12.120   0.715
  371    H    LYS  51           HN       LYS  51  -7.785  -8.080  -1.797
  372    HA   LYS  51           HA       LYS  51  -7.200  -5.842  -2.266
  373   1HB   LYS  51          HB2       LYS  51  -9.356  -5.989  -0.325
  374   2HB   LYS  51          HB1       LYS  51  -8.418  -4.516  -0.085
  375   1HG   LYS  51          HG2       LYS  51  -9.736  -3.689  -1.749
  376   2HG   LYS  51          HG1       LYS  51  -8.617  -4.550  -2.807
  377   1HD   LYS  51          HD2       LYS  51 -10.565  -5.508  -3.569
  378   2HD   LYS  51          HD1       LYS  51 -10.294  -6.579  -2.194
  379   1HE   LYS  51          HE2       LYS  51 -11.719  -4.065  -1.537
  380   2HE   LYS  51          HE1       LYS  51 -12.615  -5.198  -2.568
  381   1HZ   LYS  51          HZ1       LYS  51 -11.897  -6.985  -1.003
  382   2HZ   LYS  51          HZ2       LYS  51 -12.978  -5.861  -0.328
  383   3HZ   LYS  51          HZ3       LYS  51 -11.321  -5.777   0.040
  384    H    THR  52           HN       THR  52  -4.911  -6.170  -1.762
  385    HA   THR  52           HA       THR  52  -4.042  -4.566   0.581
  386    HB   THR  52           HB       THR  52  -3.179  -7.424   0.025
  387    HG1  THR  52           HG1      THR  52  -4.935  -7.784   1.110
  388   1HG2  THR  52          HG21      THR  52  -1.530  -5.683   1.067
  389   2HG2  THR  52          HG22      THR  52  -1.721  -7.252   1.848
  390   3HG2  THR  52          HG23      THR  52  -2.547  -5.837   2.500
  391    H    PHE  53           HN       PHE  53  -2.920  -3.040  -0.634
  392    HA   PHE  53           HA       PHE  53  -1.475  -3.506  -3.059
  393   1HB   PHE  53          HB2       PHE  53  -1.224  -1.453  -0.835
  394   2HB   PHE  53          HB1       PHE  53  -0.365  -1.323  -2.370
  395    HD1  PHE  53           HD1      PHE  53  -1.562  -0.896  -4.459
  396    HD2  PHE  53           HD2      PHE  53  -3.655  -1.193  -0.721
  397    HE1  PHE  53           HE1      PHE  53  -3.575   0.103  -5.507
  398    HE2  PHE  53           HE2      PHE  53  -5.668  -0.193  -1.764
  399    HZ   PHE  53           HZ       PHE  53  -5.627   0.455  -4.161
  400    H    THR  54           HN       THR  54   0.459  -4.594  -3.345
  401    HA   THR  54           HA       THR  54   2.135  -5.041  -0.888
  402    HB   THR  54           HB       THR  54   1.744  -6.775  -3.339
  403    HG1  THR  54           HG1      THR  54   0.289  -7.843  -2.159
  404   1HG2  THR  54          HG21      THR  54   3.894  -6.866  -1.772
  405   2HG2  THR  54          HG22      THR  54   3.129  -8.341  -2.359
  406   3HG2  THR  54          HG23      THR  54   2.797  -7.766  -0.725
  407    H    VAL  55           HN       VAL  55   3.763  -3.438  -1.162
  408    HA   VAL  55           HA       VAL  55   5.235  -3.423  -3.722
  409    HB   VAL  55           HB       VAL  55   4.424  -1.247  -2.758
  410   1HG1  VAL  55          HG11      VAL  55   6.549  -1.627  -0.667
  411   2HG1  VAL  55          HG12      VAL  55   4.857  -2.014  -0.346
  412   3HG1  VAL  55          HG13      VAL  55   5.320  -0.356  -0.752
  413   1HG2  VAL  55          HG21      VAL  55   6.470  -0.047  -3.150
  414   2HG2  VAL  55          HG22      VAL  55   6.461  -1.445  -4.223
  415   3HG2  VAL  55          HG23      VAL  55   7.435  -1.465  -2.753
  416    H    THR  56           HN       THR  56   7.688  -3.296  -3.447
  417    HA   THR  56           HA       THR  56   8.808  -4.525  -1.018
  418    HB   THR  56           HB       THR  56   8.728  -5.892  -3.722
  419    HG1  THR  56           HG1      THR  56   7.586  -6.680  -1.254
  420   1HG2  THR  56          HG21      THR  56  10.266  -6.384  -1.218
  421   2HG2  THR  56          HG22      THR  56  10.705  -6.723  -2.892
  422   3HG2  THR  56          HG23      THR  56   9.599  -7.797  -2.037
  423    H    GLU  57           HN       GLU  57  10.521  -3.089  -0.814
  424    HA   GLU  57           HA       GLU  57  12.236  -2.620  -3.235
  425   1HB   GLU  57          HB2       GLU  57  10.840  -0.696  -2.318
  426   2HB   GLU  57          HB1       GLU  57  11.830  -0.782  -0.860
  427   1HG   GLU  57          HG2       GLU  57  13.256  -0.669  -3.478
  428   2HG   GLU  57          HG1       GLU  57  12.484   0.812  -2.910
  Start of MODEL   18
    1   1H    MET   1          HT1       MET   1  17.792  -0.195   2.973
    2   2H    MET   1          HT2       MET   1  17.963  -0.377   1.293
    3   3H    MET   1          HT3       MET   1  18.448  -1.624   2.339
    4    HA   MET   1           HA       MET   1  16.344  -2.223   1.344
    5   1HB   MET   1          HB2       MET   1  16.530  -1.435   4.250
    6   2HB   MET   1          HB1       MET   1  15.092  -2.249   3.632
    7   1HG   MET   1          HG2       MET   1  17.765  -3.402   2.947
    8   2HG   MET   1          HG1       MET   1  17.148  -3.644   4.581
    9   1HE   MET   1          HE1       MET   1  16.317  -5.632   5.112
   10   2HE   MET   1          HE2       MET   1  17.297  -6.372   3.849
   11   3HE   MET   1          HE3       MET   1  15.619  -6.868   4.056
   12    H    THR   2           HN       THR   2  14.615  -1.364   0.277
   13    HA   THR   2           HA       THR   2  13.924   1.464   0.536
   14    HB   THR   2           HB       THR   2  12.590  -0.815  -0.963
   15    HG1  THR   2           HG1      THR   2  14.035  -0.474  -2.504
   16   1HG2  THR   2          HG21      THR   2  12.483   2.195  -1.244
   17   2HG2  THR   2          HG22      THR   2  11.142   1.107  -0.883
   18   3HG2  THR   2          HG23      THR   2  11.896   1.081  -2.479
   19    H    THR   3           HN       THR   3  12.008   2.307   1.441
   20    HA   THR   3           HA       THR   3  10.346   0.419   3.011
   21    HB   THR   3           HB       THR   3  11.171   3.262   3.648
   22    HG1  THR   3           HG1      THR   3  12.733   2.403   4.798
   23   1HG2  THR   3          HG21      THR   3   8.938   2.364   4.544
   24   2HG2  THR   3          HG22      THR   3  10.081   2.980   5.737
   25   3HG2  THR   3          HG23      THR   3   9.906   1.242   5.500
   26    H    PHE   4           HN       PHE   4   8.615   0.288   1.514
   27    HA   PHE   4           HA       PHE   4   7.466   2.697   0.295
   28   1HB   PHE   4          HB2       PHE   4   6.619  -0.213   0.443
   29   2HB   PHE   4          HB1       PHE   4   5.837   0.996  -0.571
   30    HD1  PHE   4           HD1      PHE   4   6.972   1.921  -2.531
   31    HD2  PHE   4           HD2      PHE   4   8.864  -1.024  -0.042
   32    HE1  PHE   4           HE1      PHE   4   8.681   1.533  -4.287
   33    HE2  PHE   4           HE2      PHE   4  10.573  -1.410  -1.796
   34    HZ   PHE   4           HZ       PHE   4  10.480  -0.131  -3.919
   35    H    LYS   5           HN       LYS   5   4.940   2.887   0.545
   36    HA   LYS   5           HA       LYS   5   3.967   2.262   3.280
   37   1HB   LYS   5          HB2       LYS   5   5.317   4.431   3.237
   38   2HB   LYS   5          HB1       LYS   5   4.048   5.093   2.206
   39   1HG   LYS   5          HG2       LYS   5   2.513   5.175   3.912
   40   2HG   LYS   5          HG1       LYS   5   3.167   3.744   4.709
   41   1HD   LYS   5          HD2       LYS   5   3.779   5.496   6.162
   42   2HD   LYS   5          HD1       LYS   5   5.237   5.237   5.203
   43   1HE   LYS   5          HE2       LYS   5   4.906   7.186   3.933
   44   2HE   LYS   5          HE1       LYS   5   3.170   7.239   4.295
   45   1HZ   LYS   5          HZ1       LYS   5   4.290   8.843   5.667
   46   2HZ   LYS   5          HZ2       LYS   5   5.398   7.677   6.213
   47   3HZ   LYS   5          HZ3       LYS   5   3.761   7.569   6.654
   48    H    LEU   6           HN       LEU   6   1.834   1.681   3.093
   49    HA   LEU   6           HA       LEU   6   0.357   2.475   0.620
   50   1HB   LEU   6          HB2       LEU   6   0.636   0.079   1.060
   51   2HB   LEU   6          HB1       LEU   6  -0.051   0.273   2.672
   52    HG   LEU   6           HG       LEU   6  -2.167   1.122   1.569
   53   1HD1  LEU   6          HD11      LEU   6  -2.379   0.360  -0.875
   54   2HD1  LEU   6          HD12      LEU   6  -0.616   0.263  -0.877
   55   3HD1  LEU   6          HD13      LEU   6  -1.413   1.807  -0.579
   56   1HD2  LEU   6          HD21      LEU   6  -1.080  -1.648   1.347
   57   2HD2  LEU   6          HD22      LEU   6  -2.592  -1.304   0.507
   58   3HD2  LEU   6          HD23      LEU   6  -2.476  -1.058   2.251
   59    H    ILE   7           HN       ILE   7  -1.227   4.008   0.834
   60    HA   ILE   7           HA       ILE   7  -2.029   5.008   3.457
   61    HB   ILE   7           HB       ILE   7  -1.768   6.129   1.046
   62   1HG1  ILE   7          HG12      ILE   7  -3.627   7.800   1.845
   63   2HG1  ILE   7          HG11      ILE   7  -3.651   6.777   3.280
   64   1HG2  ILE   7          HG21      ILE   7  -4.743   5.578   1.079
   65   2HG2  ILE   7          HG22      ILE   7  -3.607   4.694   0.062
   66   3HG2  ILE   7          HG23      ILE   7  -3.822   6.430  -0.159
   67   1HD1  ILE   7          HD11      ILE   7  -1.041   7.791   2.176
   68   2HD1  ILE   7          HD12      ILE   7  -1.414   7.257   3.815
   69   3HD1  ILE   7          HD13      ILE   7  -2.019   8.808   3.234
   70    H    ILE   8           HN       ILE   8  -4.550   5.129   3.901
   71    HA   ILE   8           HA       ILE   8  -5.819   2.554   3.033
   72    HB   ILE   8           HB       ILE   8  -5.780   3.805   5.800
   73   1HG1  ILE   8          HG12      ILE   8  -4.496   1.229   4.847
   74   2HG1  ILE   8          HG11      ILE   8  -3.619   2.752   4.993
   75   1HG2  ILE   8          HG21      ILE   8  -6.757   1.052   5.041
   76   2HG2  ILE   8          HG22      ILE   8  -7.837   2.446   5.039
   77   3HG2  ILE   8          HG23      ILE   8  -7.048   1.943   6.534
   78   1HD1  ILE   8          HD11      ILE   8  -4.558   2.793   7.422
   79   2HD1  ILE   8          HD12      ILE   8  -3.209   1.716   7.062
   80   3HD1  ILE   8          HD13      ILE   8  -4.847   1.072   7.169
   81    H    ASN   9           HN       ASN   9  -6.856   4.197   1.474
   82    HA   ASN   9           HA       ASN   9  -8.958   5.869   2.767
   83   1HB   ASN   9          HB2       ASN   9  -7.351   5.913   0.333
   84   2HB   ASN   9          HB1       ASN   9  -9.064   6.082  -0.046
   85   1HD2  ASN   9          HD21      ASN   9  -6.757   8.134   0.014
   86   2HD2  ASN   9          HD22      ASN   9  -7.363   9.396   0.974
   87    H    GLY  10           HN       GLY  10  -9.340   3.162   3.104
   88   1HA   GLY  10          HA2       GLY  10 -11.298   2.320   1.026
   89   2HA   GLY  10          HA1       GLY  10 -10.569   1.258   2.233
   90    H    LYS  11           HN       LYS  11 -13.318   1.275   1.873
   91    HA   LYS  11           HA       LYS  11 -14.564   3.001   3.904
   92   1HB   LYS  11          HB2       LYS  11 -16.599   1.769   3.192
   93   2HB   LYS  11          HB1       LYS  11 -15.703   2.387   1.807
   94   1HG   LYS  11          HG2       LYS  11 -15.291   0.306   1.015
   95   2HG   LYS  11          HG1       LYS  11 -14.809  -0.288   2.603
   96   1HD   LYS  11          HD2       LYS  11 -16.769  -1.523   1.983
   97   2HD   LYS  11          HD1       LYS  11 -17.281  -0.353   3.200
   98   1HE   LYS  11          HE2       LYS  11 -17.638   1.132   0.949
   99   2HE   LYS  11          HE1       LYS  11 -17.975  -0.493   0.318
  100   1HZ   LYS  11          HZ1       LYS  11 -19.377  -0.844   2.331
  101   2HZ   LYS  11          HZ2       LYS  11 -19.985   0.327   1.262
  102   3HZ   LYS  11          HZ3       LYS  11 -19.201   0.804   2.692
  103    H    THR  12           HN       THR  12 -12.611   0.344   4.226
  104    HA   THR  12           HA       THR  12 -14.208  -0.787   6.495
  105    HB   THR  12           HB       THR  12 -11.929  -2.028   4.926
  106    HG1  THR  12           HG1      THR  12 -13.355  -2.268   3.425
  107   1HG2  THR  12          HG21      THR  12 -12.371  -3.976   6.082
  108   2HG2  THR  12          HG22      THR  12 -14.063  -3.558   6.349
  109   3HG2  THR  12          HG23      THR  12 -12.804  -2.798   7.321
  110    H    LEU  13           HN       LEU  13 -11.129   0.643   5.526
  111    HA   LEU  13           HA       LEU  13 -10.369   0.785   8.414
  112   1HB   LEU  13          HB2       LEU  13  -9.378  -1.136   6.764
  113   2HB   LEU  13          HB1       LEU  13  -8.208   0.151   6.482
  114    HG   LEU  13           HG       LEU  13  -7.989   0.368   8.997
  115   1HD1  LEU  13          HD11      LEU  13  -9.795  -2.033   8.791
  116   2HD1  LEU  13          HD12      LEU  13  -9.919  -0.647   9.873
  117   3HD1  LEU  13          HD13      LEU  13  -8.681  -1.872  10.148
  118   1HD2  LEU  13          HD21      LEU  13  -6.293  -1.215   9.036
  119   2HD2  LEU  13          HD22      LEU  13  -6.587  -1.130   7.299
  120   3HD2  LEU  13          HD23      LEU  13  -7.282  -2.445   8.248
  121    H    LYS  14           HN       LYS  14  -8.519   2.354   8.727
  122    HA   LYS  14           HA       LYS  14  -8.078   4.314   6.554
  123   1HB   LYS  14          HB2       LYS  14 -10.250   4.646   8.109
  124   2HB   LYS  14          HB1       LYS  14  -9.051   5.423   9.144
  125   1HG   LYS  14          HG2       LYS  14  -8.330   6.597   6.882
  126   2HG   LYS  14          HG1       LYS  14  -9.984   6.208   6.408
  127   1HD   LYS  14          HD2       LYS  14 -10.913   7.646   7.943
  128   2HD   LYS  14          HD1       LYS  14  -9.600   7.426   9.100
  129   1HE   LYS  14          HE2       LYS  14  -8.890   8.751   6.522
  130   2HE   LYS  14          HE1       LYS  14  -9.849   9.695   7.679
  131   1HZ   LYS  14          HZ1       LYS  14  -7.398   8.174   8.386
  132   2HZ   LYS  14          HZ2       LYS  14  -8.282   9.209   9.403
  133   3HZ   LYS  14          HZ3       LYS  14  -7.423   9.842   8.081
  134    H    GLY  15           HN       GLY  15  -6.124   5.444   6.856
  135   1HA   GLY  15          HA2       GLY  15  -4.612   6.356   8.757
  136   2HA   GLY  15          HA1       GLY  15  -4.554   4.671   9.273
  137    H    GLU  16           HN       GLU  16  -2.372   4.277   8.868
  138    HA   GLU  16           HA       GLU  16  -1.587   4.198   5.988
  139   1HB   GLU  16          HB2       GLU  16  -0.359   5.712   8.265
  140   2HB   GLU  16          HB1       GLU  16   0.710   5.053   7.028
  141   1HG   GLU  16          HG2       GLU  16   0.249   6.993   5.927
  142   2HG   GLU  16          HG1       GLU  16  -1.243   6.169   5.476
  143    H    THR  17           HN       THR  17   0.564   2.935   5.801
  144    HA   THR  17           HA       THR  17   1.111   1.015   7.979
  145    HB   THR  17           HB       THR  17   0.115   0.112   5.258
  146    HG1  THR  17           HG1      THR  17  -1.223   0.104   7.756
  147   1HG2  THR  17          HG21      THR  17   1.416  -1.630   6.125
  148   2HG2  THR  17          HG22      THR  17  -0.196  -2.035   6.715
  149   3HG2  THR  17          HG23      THR  17   0.968  -1.263   7.791
  150    H    THR  18           HN       THR  18   3.271   0.490   7.906
  151    HA   THR  18           HA       THR  18   4.761   1.033   5.355
  152    HB   THR  18           HB       THR  18   6.650   1.576   6.935
  153    HG1  THR  18           HG1      THR  18   5.737   0.337   8.680
  154   1HG2  THR  18          HG21      THR  18   5.897   3.760   7.330
  155   2HG2  THR  18          HG22      THR  18   4.250   3.232   7.672
  156   3HG2  THR  18          HG23      THR  18   4.851   3.226   6.014
  157    H    THR  19           HN       THR  19   6.822  -0.291   5.206
  158    HA   THR  19           HA       THR  19   7.069  -2.733   6.781
  159    HB   THR  19           HB       THR  19   5.093  -3.245   5.403
  160    HG1  THR  19           HG1      THR  19   6.226  -5.044   5.650
  161   1HG2  THR  19          HG21      THR  19   5.065  -3.093   3.047
  162   2HG2  THR  19          HG22      THR  19   6.821  -2.970   2.947
  163   3HG2  THR  19          HG23      THR  19   5.875  -1.611   3.552
  164    H    GLU  20           HN       GLU  20   8.855  -4.132   5.864
  165    HA   GLU  20           HA       GLU  20  10.915  -2.420   4.553
  166   1HB   GLU  20          HB2       GLU  20  10.987  -3.888   6.806
  167   2HB   GLU  20          HB1       GLU  20  11.480  -5.134   5.659
  168   1HG   GLU  20          HG2       GLU  20  13.231  -3.568   4.790
  169   2HG   GLU  20          HG1       GLU  20  12.792  -2.431   6.066
  170    H    ALA  21           HN       ALA  21  10.894  -2.663   2.343
  171    HA   ALA  21           HA       ALA  21  10.850  -5.451   1.244
  172   1HB   ALA  21          HB1       ALA  21   8.762  -3.675   1.115
  173   2HB   ALA  21          HB2       ALA  21   9.045  -4.952  -0.067
  174   3HB   ALA  21          HB3       ALA  21   9.615  -3.313  -0.385
  175    H    VAL  22           HN       VAL  22  12.368  -5.783  -0.385
  176    HA   VAL  22           HA       VAL  22  14.571  -4.039  -0.726
  177    HB   VAL  22           HB       VAL  22  15.093  -5.592  -2.588
  178   1HG1  VAL  22          HG11      VAL  22  14.167  -6.525   0.079
  179   2HG1  VAL  22          HG12      VAL  22  15.774  -6.603  -0.643
  180   3HG1  VAL  22          HG13      VAL  22  14.535  -7.760  -1.125
  181   1HG2  VAL  22          HG21      VAL  22  13.535  -7.274  -3.312
  182   2HG2  VAL  22          HG22      VAL  22  12.695  -5.729  -3.404
  183   3HG2  VAL  22          HG23      VAL  22  12.381  -6.822  -2.059
  184    H    ASP  23           HN       ASP  23  11.496  -4.218  -2.437
  185    HA   ASP  23           HA       ASP  23  11.814  -1.597  -3.605
  186   1HB   ASP  23          HB2       ASP  23  11.963  -2.390  -5.987
  187   2HB   ASP  23          HB1       ASP  23  13.402  -2.755  -5.039
  188    H    ALA  24           HN       ALA  24  10.053  -1.482  -5.560
  189    HA   ALA  24           HA       ALA  24   7.503  -1.851  -4.412
  190   1HB   ALA  24          HB1       ALA  24   7.474  -0.318  -6.120
  191   2HB   ALA  24          HB2       ALA  24   6.977  -1.721  -7.066
  192   3HB   ALA  24          HB3       ALA  24   8.664  -1.208  -7.068
  193    H    ALA  25           HN       ALA  25   9.496  -4.091  -6.214
  194    HA   ALA  25           HA       ALA  25   7.533  -5.908  -7.192
  195   1HB   ALA  25          HB1       ALA  25  10.178  -5.694  -7.391
  196   2HB   ALA  25          HB2       ALA  25   9.386  -7.254  -7.612
  197   3HB   ALA  25          HB3       ALA  25  10.146  -6.861  -6.070
  198    H    THR  26           HN       THR  26   8.863  -5.451  -3.963
  199    HA   THR  26           HA       THR  26   7.351  -7.833  -2.969
  200    HB   THR  26           HB       THR  26   9.471  -6.123  -1.630
  201    HG1  THR  26           HG1      THR  26  10.474  -7.086  -3.302
  202   1HG2  THR  26          HG21      THR  26   7.810  -7.663  -0.315
  203   2HG2  THR  26          HG22      THR  26   9.533  -7.743   0.051
  204   3HG2  THR  26          HG23      THR  26   8.791  -8.973  -0.971
  205    H    ALA  27           HN       ALA  27   7.621  -4.333  -2.739
  206    HA   ALA  27           HA       ALA  27   6.105  -3.873  -0.362
  207   1HB   ALA  27          HB1       ALA  27   7.468  -2.377  -2.168
  208   2HB   ALA  27          HB2       ALA  27   6.330  -1.679  -1.016
  209   3HB   ALA  27          HB3       ALA  27   5.816  -2.017  -2.669
  210    H    GLU  28           HN       GLU  28   4.975  -3.618  -3.758
  211    HA   GLU  28           HA       GLU  28   2.186  -3.436  -3.173
  212   1HB   GLU  28          HB2       GLU  28   3.500  -2.990  -5.336
  213   2HB   GLU  28          HB1       GLU  28   3.433  -4.732  -5.610
  214   1HG   GLU  28          HG2       GLU  28   1.101  -4.739  -5.846
  215   2HG   GLU  28          HG1       GLU  28   0.915  -3.207  -4.991
  216    H    LYS  29           HN       LYS  29   4.212  -6.296  -3.911
  217    HA   LYS  29           HA       LYS  29   2.207  -8.292  -3.948
  218   1HB   LYS  29          HB2       LYS  29   4.673  -8.474  -4.477
  219   2HB   LYS  29          HB1       LYS  29   4.983  -8.496  -2.741
  220   1HG   LYS  29          HG2       LYS  29   3.137 -10.426  -2.814
  221   2HG   LYS  29          HG1       LYS  29   3.729 -10.584  -4.468
  222   1HD   LYS  29          HD2       LYS  29   6.097 -10.466  -3.278
  223   2HD   LYS  29          HD1       LYS  29   5.177 -11.036  -1.886
  224   1HE   LYS  29          HE2       LYS  29   4.207 -12.738  -3.740
  225   2HE   LYS  29          HE1       LYS  29   5.816 -12.449  -4.432
  226   1HZ   LYS  29          HZ1       LYS  29   5.975 -14.211  -2.825
  227   2HZ   LYS  29          HZ2       LYS  29   5.208 -13.266  -1.640
  228   3HZ   LYS  29          HZ3       LYS  29   6.754 -12.840  -2.200
  229    H    VAL  30           HN       VAL  30   3.916  -6.855  -1.181
  230    HA   VAL  30           HA       VAL  30   2.519  -8.522   0.794
  231    HB   VAL  30           HB       VAL  30   4.329  -6.084   0.956
  232   1HG1  VAL  30          HG11      VAL  30   3.164  -6.122   3.022
  233   2HG1  VAL  30          HG12      VAL  30   4.666  -6.990   3.348
  234   3HG1  VAL  30          HG13      VAL  30   3.169  -7.885   3.087
  235   1HG2  VAL  30          HG21      VAL  30   5.077  -8.891   1.721
  236   2HG2  VAL  30          HG22      VAL  30   6.113  -7.570   1.181
  237   3HG2  VAL  30          HG23      VAL  30   5.097  -8.423   0.020
  238    H    PHE  31           HN       PHE  31   2.515  -5.061  -0.125
  239    HA   PHE  31           HA       PHE  31   0.447  -4.229   1.663
  240   1HB   PHE  31          HB2       PHE  31   1.679  -3.246  -0.891
  241   2HB   PHE  31          HB1       PHE  31   0.251  -2.423  -0.262
  242    HD1  PHE  31           HD1      PHE  31   3.674  -2.209  -0.285
  243    HD2  PHE  31           HD2      PHE  31   0.422  -2.280   2.517
  244    HE1  PHE  31           HE1      PHE  31   5.080  -1.025   1.380
  245    HE2  PHE  31           HE2      PHE  31   1.826  -1.092   4.180
  246    HZ   PHE  31           HZ       PHE  31   4.157  -0.465   3.611
  247    H    LYS  32           HN       LYS  32   0.323  -5.681  -1.565
  248    HA   LYS  32           HA       LYS  32  -2.465  -5.173  -2.084
  249   1HB   LYS  32          HB2       LYS  32  -0.405  -7.176  -3.027
  250   2HB   LYS  32          HB1       LYS  32  -2.067  -7.246  -3.609
  251   1HG   LYS  32          HG2       LYS  32  -0.524  -4.660  -3.698
  252   2HG   LYS  32          HG1       LYS  32  -0.347  -5.858  -4.981
  253   1HD   LYS  32          HD2       LYS  32  -2.747  -5.804  -5.418
  254   2HD   LYS  32          HD1       LYS  32  -2.994  -4.694  -4.069
  255   1HE   LYS  32          HE2       LYS  32  -2.917  -3.230  -5.917
  256   2HE   LYS  32          HE1       LYS  32  -1.234  -3.198  -5.352
  257   1HZ   LYS  32          HZ1       LYS  32  -0.646  -4.879  -6.909
  258   2HZ   LYS  32          HZ2       LYS  32  -1.484  -3.679  -7.771
  259   3HZ   LYS  32          HZ3       LYS  32  -2.262  -5.132  -7.357
  260    H    GLN  33           HN       GLN  33  -0.709  -7.894  -0.585
  261    HA   GLN  33           HA       GLN  33  -2.962  -9.592  -0.111
  262   1HB   GLN  33          HB2       GLN  33  -0.479 -10.121   0.022
  263   2HB   GLN  33          HB1       GLN  33  -0.468  -9.293   1.580
  264   1HG   GLN  33          HG2       GLN  33  -0.906 -11.410   2.353
  265   2HG   GLN  33          HG1       GLN  33  -2.565 -10.938   1.984
  266   1HE2  GLN  33          HE21      GLN  33  -3.603 -11.929   0.151
  267   2HE2  GLN  33          HE22      GLN  33  -2.890 -13.198  -0.723
  268    H    TYR  34           HN       TYR  34  -1.674  -6.839   1.582
  269    HA   TYR  34           HA       TYR  34  -3.156  -7.152   4.052
  270   1HB   TYR  34          HB2       TYR  34  -1.234  -5.793   4.141
  271   2HB   TYR  34          HB1       TYR  34  -1.601  -5.002   2.614
  272    HD1  TYR  34           HD1      TYR  34  -2.996  -3.049   2.524
  273    HD2  TYR  34           HD2      TYR  34  -2.462  -5.178   6.210
  274    HE1  TYR  34           HE1      TYR  34  -4.038  -1.166   3.752
  275    HE2  TYR  34           HE2      TYR  34  -3.506  -3.296   7.450
  276    HH   TYR  34           HH       TYR  34  -3.713  -0.536   6.755
  277    H    ALA  35           HN       ALA  35  -3.638  -5.096   1.157
  278    HA   ALA  35           HA       ALA  35  -6.199  -4.047   1.965
  279   1HB   ALA  35          HB1       ALA  35  -5.262  -2.773   0.296
  280   2HB   ALA  35          HB2       ALA  35  -6.179  -3.860  -0.747
  281   3HB   ALA  35          HB3       ALA  35  -4.466  -4.162  -0.450
  282    H    ASN  36           HN       ASN  36  -5.224  -6.861   0.025
  283    HA   ASN  36           HA       ASN  36  -7.724  -7.640  -1.016
  284   1HB   ASN  36          HB2       ASN  36  -5.344  -8.533  -1.418
  285   2HB   ASN  36          HB1       ASN  36  -5.606  -9.534   0.010
  286   1HD2  ASN  36          HD21      ASN  36  -5.395 -10.294  -2.951
  287   2HD2  ASN  36          HD22      ASN  36  -6.801 -11.195  -3.254
  288    H    ASP  37           HN       ASP  37  -6.306  -8.243   2.180
  289    HA   ASP  37           HA       ASP  37  -8.328 -10.099   3.096
  290   1HB   ASP  37          HB2       ASP  37  -5.883  -9.314   3.930
  291   2HB   ASP  37          HB1       ASP  37  -6.876  -8.321   4.999
  292    H    ASN  38           HN       ASN  38  -7.909  -6.571   3.415
  293    HA   ASN  38           HA       ASN  38 -10.356  -6.244   4.997
  294   1HB   ASN  38          HB2       ASN  38  -8.345  -4.419   3.660
  295   2HB   ASN  38          HB1       ASN  38  -9.751  -3.789   4.520
  296   1HD2  ASN  38          HD21      ASN  38  -6.620  -5.341   4.928
  297   2HD2  ASN  38          HD22      ASN  38  -6.601  -5.279   6.625
  298    H    GLY  39           HN       GLY  39  -9.439  -6.082   1.606
  299   1HA   GLY  39          HA2       GLY  39 -11.031  -6.313  -0.194
  300   2HA   GLY  39          HA1       GLY  39 -12.298  -5.733   0.889
  301    H    ILE  40           HN       ILE  40  -9.122  -4.242   0.369
  302    HA   ILE  40           HA       ILE  40 -10.458  -1.680  -0.256
  303    HB   ILE  40           HB       ILE  40  -7.580  -2.531   0.216
  304   1HG1  ILE  40          HG12      ILE  40  -9.553  -0.961   1.910
  305   2HG1  ILE  40          HG11      ILE  40  -9.138  -2.655   2.155
  306   1HG2  ILE  40          HG21      ILE  40  -8.789   0.084  -0.597
  307   2HG2  ILE  40          HG22      ILE  40  -7.204  -0.583  -0.992
  308   3HG2  ILE  40          HG23      ILE  40  -7.494   0.122   0.598
  309   1HD1  ILE  40          HD11      ILE  40  -7.772  -0.342   3.131
  310   2HD1  ILE  40          HD12      ILE  40  -6.695  -1.173   2.008
  311   3HD1  ILE  40          HD13      ILE  40  -7.364  -2.037   3.392
  312    H    ASP  41           HN       ASP  41 -11.192  -2.917  -2.373
  313    HA   ASP  41           HA       ASP  41  -9.134  -3.063  -4.484
  314   1HB   ASP  41          HB2       ASP  41 -11.132  -4.618  -4.166
  315   2HB   ASP  41          HB1       ASP  41 -12.155  -3.273  -4.674
  316    H    GLY  42           HN       GLY  42  -8.983  -0.538  -3.627
  317   1HA   GLY  42          HA2       GLY  42 -10.877   1.218  -5.026
  318   2HA   GLY  42          HA1       GLY  42  -9.518   1.732  -4.022
  319    H    GLU  43           HN       GLU  43  -8.447   3.072  -5.398
  320    HA   GLU  43           HA       GLU  43  -7.550   1.946  -7.986
  321   1HB   GLU  43          HB2       GLU  43  -7.495   4.316  -8.758
  322   2HB   GLU  43          HB1       GLU  43  -9.104   3.831  -8.233
  323   1HG   GLU  43          HG2       GLU  43  -9.119   5.542  -6.771
  324   2HG   GLU  43          HG1       GLU  43  -7.763   4.809  -5.921
  325    H    TRP  44           HN       TRP  44  -5.558   1.161  -7.441
  326    HA   TRP  44           HA       TRP  44  -3.833   2.341  -5.504
  327   1HB   TRP  44          HB2       TRP  44  -3.577   0.250  -7.643
  328   2HB   TRP  44          HB1       TRP  44  -2.190   0.710  -6.645
  329    HD1  TRP  44           HD1      TRP  44  -5.873  -0.358  -6.158
  330    HE1  TRP  44           HE1      TRP  44  -6.024  -1.706  -3.960
  331    HE3  TRP  44           HE3      TRP  44  -1.028  -0.025  -4.578
  332    HZ2  TRP  44           HZ2      TRP  44  -4.320  -2.503  -1.812
  333    HZ3  TRP  44           HZ3      TRP  44  -0.318  -1.087  -2.455
  334    HH2  TRP  44           HH2      TRP  44  -1.956  -2.333  -1.072
  335    H    THR  45           HN       THR  45  -2.072   3.605  -5.695
  336    HA   THR  45           HA       THR  45  -1.064   4.484  -8.327
  337    HB   THR  45           HB       THR  45  -1.359   6.904  -7.410
  338    HG1  THR  45           HG1      THR  45  -3.253   7.007  -6.055
  339   1HG2  THR  45          HG21      THR  45  -2.620   5.795  -9.322
  340   2HG2  THR  45          HG22      THR  45  -3.476   7.106  -8.510
  341   3HG2  THR  45          HG23      THR  45  -3.892   5.429  -8.156
  342    H    TYR  46           HN       TYR  46   1.128   4.723  -8.116
  343    HA   TYR  46           HA       TYR  46   2.257   4.705  -5.349
  344   1HB   TYR  46          HB2       TYR  46   2.886   2.788  -6.606
  345   2HB   TYR  46          HB1       TYR  46   3.113   3.718  -8.080
  346    HD1  TYR  46           HD1      TYR  46   5.101   5.225  -8.309
  347    HD2  TYR  46           HD2      TYR  46   4.672   2.511  -5.007
  348    HE1  TYR  46           HE1      TYR  46   7.523   5.427  -7.826
  349    HE2  TYR  46           HE2      TYR  46   7.085   2.710  -4.526
  350    HH   TYR  46           HH       TYR  46   9.290   3.770  -6.595
  351    H    ASP  47           HN       ASP  47   4.037   6.133  -4.881
  352    HA   ASP  47           HA       ASP  47   4.387   8.425  -6.787
  353   1HB   ASP  47          HB2       ASP  47   3.876   8.291  -3.815
  354   2HB   ASP  47          HB1       ASP  47   4.642   9.709  -4.533
  355    H    ASP  48           HN       ASP  48   6.477   8.287  -7.497
  356    HA   ASP  48           HA       ASP  48   8.588   6.884  -6.134
  357   1HB   ASP  48          HB2       ASP  48   9.965   7.908  -7.935
  358   2HB   ASP  48          HB1       ASP  48   8.460   7.239  -8.565
  359    H    ALA  49           HN       ALA  49   7.410  10.172  -5.907
  360    HA   ALA  49           HA       ALA  49   9.640  11.611  -5.022
  361   1HB   ALA  49          HB1       ALA  49   7.803  12.961  -5.191
  362   2HB   ALA  49          HB2       ALA  49   7.606  12.585  -3.479
  363   3HB   ALA  49          HB3       ALA  49   6.701  11.678  -4.691
  364    H    THR  50           HN       THR  50   7.518   9.454  -3.147
  365    HA   THR  50           HA       THR  50   9.636   9.253  -1.060
  366    HB   THR  50           HB       THR  50   7.893   9.655   0.674
  367    HG1  THR  50           HG1      THR  50   5.919   9.517   0.027
  368   1HG2  THR  50          HG21      THR  50   7.753  12.048   0.375
  369   2HG2  THR  50          HG22      THR  50   7.972  11.890  -1.368
  370   3HG2  THR  50          HG23      THR  50   9.303  11.514  -0.273
  371    H    LYS  51           HN       LYS  51   8.043   7.531  -3.214
  372    HA   LYS  51           HA       LYS  51   7.237   5.315  -3.368
  373   1HB   LYS  51          HB2       LYS  51   9.446   5.525  -1.482
  374   2HB   LYS  51          HB1       LYS  51   8.399   4.169  -1.068
  375   1HG   LYS  51          HG2       LYS  51   9.738   3.114  -2.610
  376   2HG   LYS  51          HG1       LYS  51   8.525   3.770  -3.713
  377   1HD   LYS  51          HD2       LYS  51  10.657   4.363  -4.638
  378   2HD   LYS  51          HD1       LYS  51  10.015   5.835  -3.907
  379   1HE   LYS  51          HE2       LYS  51  11.327   4.943  -1.767
  380   2HE   LYS  51          HE1       LYS  51  12.293   4.112  -3.002
  381   1HZ   LYS  51          HZ1       LYS  51  11.657   7.013  -2.900
  382   2HZ   LYS  51          HZ2       LYS  51  12.428   6.248  -4.206
  383   3HZ   LYS  51          HZ3       LYS  51  13.183   6.305  -2.685
  384    H    THR  52           HN       THR  52   4.984   5.796  -2.885
  385    HA   THR  52           HA       THR  52   4.100   4.655  -0.293
  386    HB   THR  52           HB       THR  52   3.393   7.452  -1.235
  387    HG1  THR  52           HG1      THR  52   5.407   7.547  -0.419
  388   1HG2  THR  52          HG21      THR  52   1.837   5.824   0.272
  389   2HG2  THR  52          HG22      THR  52   1.888   7.574   0.478
  390   3HG2  THR  52          HG23      THR  52   2.846   6.536   1.531
  391    H    PHE  53           HN       PHE  53   2.881   3.033  -1.301
  392    HA   PHE  53           HA       PHE  53   1.288   3.347  -3.673
  393   1HB   PHE  53          HB2       PHE  53   1.138   1.461  -1.295
  394   2HB   PHE  53          HB1       PHE  53   0.217   1.235  -2.781
  395    HD1  PHE  53           HD1      PHE  53   1.326   0.643  -4.881
  396    HD2  PHE  53           HD2      PHE  53   3.563   1.158  -1.251
  397    HE1  PHE  53           HE1      PHE  53   3.280  -0.469  -5.928
  398    HE2  PHE  53           HE2      PHE  53   5.518   0.046  -2.296
  399    HZ   PHE  53           HZ       PHE  53   5.375  -0.769  -4.635
  400    H    THR  54           HN       THR  54  -0.816   4.156  -3.902
  401    HA   THR  54           HA       THR  54  -2.244   4.911  -1.361
  402    HB   THR  54           HB       THR  54  -1.952   6.457  -3.952
  403    HG1  THR  54           HG1      THR  54  -0.268   7.256  -3.034
  404   1HG2  THR  54          HG21      THR  54  -2.938   7.729  -1.455
  405   2HG2  THR  54          HG22      THR  54  -4.065   6.656  -2.283
  406   3HG2  THR  54          HG23      THR  54  -3.386   8.044  -3.131
  407    H    VAL  55           HN       VAL  55  -3.934   3.370  -1.384
  408    HA   VAL  55           HA       VAL  55  -5.524   3.101  -3.861
  409    HB   VAL  55           HB       VAL  55  -4.663   1.028  -2.727
  410   1HG1  VAL  55          HG11      VAL  55  -6.662   1.668  -0.571
  411   2HG1  VAL  55          HG12      VAL  55  -4.939   2.006  -0.389
  412   3HG1  VAL  55          HG13      VAL  55  -5.492   0.340  -0.602
  413   1HG2  VAL  55          HG21      VAL  55  -6.774   1.082  -4.099
  414   2HG2  VAL  55          HG22      VAL  55  -7.671   1.256  -2.590
  415   3HG2  VAL  55          HG23      VAL  55  -6.726  -0.199  -2.889
  416    H    THR  56           HN       THR  56  -7.959   3.007  -3.456
  417    HA   THR  56           HA       THR  56  -8.987   4.411  -1.095
  418    HB   THR  56           HB       THR  56  -8.934   5.625  -3.872
  419    HG1  THR  56           HG1      THR  56  -7.255   6.622  -3.154
  420   1HG2  THR  56          HG21      THR  56  -9.810   7.578  -2.126
  421   2HG2  THR  56          HG22      THR  56 -10.634   6.138  -1.529
  422   3HG2  THR  56          HG23      THR  56 -10.847   6.645  -3.205
  423    H    GLU  57           HN       GLU  57 -10.749   3.096  -0.734
  424    HA   GLU  57           HA       GLU  57 -12.347   2.125  -3.064
  425   1HB   GLU  57          HB2       GLU  57 -11.296   0.856  -0.881
  426   2HB   GLU  57          HB1       GLU  57 -12.925   1.211  -0.305
  427   1HG   GLU  57          HG2       GLU  57 -13.442   0.308  -2.843
  428   2HG   GLU  57          HG1       GLU  57 -12.038  -0.666  -2.408
  Start of MODEL   19
    1   1H    MET   1          HT1       MET   1  17.622  -3.814   1.904
    2   2H    MET   1          HT2       MET   1  17.206  -2.249   2.419
    3   3H    MET   1          HT3       MET   1  17.718  -2.513   0.820
    4    HA   MET   1           HA       MET   1  15.741  -3.733   0.297
    5   1HB   MET   1          HB2       MET   1  15.941  -4.395   2.950
    6   2HB   MET   1          HB1       MET   1  14.570  -3.286   2.979
    7   1HG   MET   1          HG2       MET   1  13.482  -5.285   2.518
    8   2HG   MET   1          HG1       MET   1  13.792  -4.703   0.882
    9   1HE   MET   1          HE1       MET   1  15.669  -7.933   3.350
   10   2HE   MET   1          HE2       MET   1  14.049  -8.191   2.706
   11   3HE   MET   1          HE3       MET   1  14.383  -6.764   3.684
   12    H    THR   2           HN       THR   2  13.314  -2.730   0.683
   13    HA   THR   2           HA       THR   2  13.569   0.250   0.874
   14    HB   THR   2           HB       THR   2  12.182  -1.394  -1.272
   15    HG1  THR   2           HG1      THR   2  13.867  -0.899  -2.498
   16   1HG2  THR   2          HG21      THR   2  10.982   0.694  -0.805
   17   2HG2  THR   2          HG22      THR   2  11.813   0.798  -2.361
   18   3HG2  THR   2          HG23      THR   2  12.489   1.603  -0.945
   19    H    THR   3           HN       THR   3  12.231   0.758   2.567
   20    HA   THR   3           HA       THR   3   9.877  -0.857   3.186
   21    HB   THR   3           HB       THR   3  10.825   1.682   4.511
   22    HG1  THR   3           HG1      THR   3  12.194   0.366   5.721
   23   1HG2  THR   3          HG21      THR   3   8.627   0.264   5.035
   24   2HG2  THR   3          HG22      THR   3   9.582   0.993   6.326
   25   3HG2  THR   3          HG23      THR   3   9.777  -0.717   5.943
   26    H    PHE   4           HN       PHE   4   8.181  -0.415   1.767
   27    HA   PHE   4           HA       PHE   4   7.619   2.338   0.871
   28   1HB   PHE   4          HB2       PHE   4   6.353  -0.383   0.465
   29   2HB   PHE   4          HB1       PHE   4   5.720   1.083  -0.279
   30    HD1  PHE   4           HD1      PHE   4   7.045   2.297  -1.978
   31    HD2  PHE   4           HD2      PHE   4   8.415  -1.389  -0.252
   32    HE1  PHE   4           HE1      PHE   4   8.714   2.064  -3.798
   33    HE2  PHE   4           HE2      PHE   4  10.083  -1.623  -2.067
   34    HZ   PHE   4           HZ       PHE   4  10.230   0.105  -3.843
   35    H    LYS   5           HN       LYS   5   5.068   2.850   1.005
   36    HA   LYS   5           HA       LYS   5   3.981   2.115   3.687
   37   1HB   LYS   5          HB2       LYS   5   5.004   4.739   2.727
   38   2HB   LYS   5          HB1       LYS   5   3.512   4.778   3.668
   39   1HG   LYS   5          HG2       LYS   5   4.557   3.662   5.524
   40   2HG   LYS   5          HG1       LYS   5   5.999   3.307   4.572
   41   1HD   LYS   5          HD2       LYS   5   5.153   6.164   4.880
   42   2HD   LYS   5          HD1       LYS   5   5.965   5.371   6.231
   43   1HE   LYS   5          HE2       LYS   5   7.145   5.105   3.477
   44   2HE   LYS   5          HE1       LYS   5   7.418   6.596   4.400
   45   1HZ   LYS   5          HZ1       LYS   5   7.859   3.850   5.448
   46   2HZ   LYS   5          HZ2       LYS   5   8.188   5.305   6.261
   47   3HZ   LYS   5          HZ3       LYS   5   9.091   4.873   4.888
   48    H    LEU   6           HN       LEU   6   1.932   1.408   3.247
   49    HA   LEU   6           HA       LEU   6   0.449   2.542   0.923
   50   1HB   LEU   6          HB2       LEU   6   0.699   0.111   1.084
   51   2HB   LEU   6          HB1       LEU   6   0.041   0.125   2.719
   52    HG   LEU   6           HG       LEU   6  -2.084   1.126   1.730
   53   1HD1  LEU   6          HD11      LEU   6  -2.338   0.549  -0.759
   54   2HD1  LEU   6          HD12      LEU   6  -0.578   0.430  -0.795
   55   3HD1  LEU   6          HD13      LEU   6  -1.351   1.958  -0.372
   56   1HD2  LEU   6          HD21      LEU   6  -2.371  -1.109   2.275
   57   2HD2  LEU   6          HD22      LEU   6  -1.053  -1.640   1.227
   58   3HD2  LEU   6          HD23      LEU   6  -2.608  -1.188   0.528
   59    H    ILE   7           HN       ILE   7  -1.029   4.145   1.359
   60    HA   ILE   7           HA       ILE   7  -1.827   4.831   4.064
   61    HB   ILE   7           HB       ILE   7  -1.597   6.210   1.796
   62   1HG1  ILE   7          HG12      ILE   7  -3.289   7.863   2.753
   63   2HG1  ILE   7          HG11      ILE   7  -3.637   6.645   3.981
   64   1HG2  ILE   7          HG21      ILE   7  -4.580   5.742   1.773
   65   2HG2  ILE   7          HG22      ILE   7  -3.488   4.825   0.737
   66   3HG2  ILE   7          HG23      ILE   7  -3.593   6.577   0.574
   67   1HD1  ILE   7          HD11      ILE   7  -1.388   6.687   4.792
   68   2HD1  ILE   7          HD12      ILE   7  -1.870   8.373   4.612
   69   3HD1  ILE   7          HD13      ILE   7  -0.833   7.618   3.401
   70    H    ILE   8           HN       ILE   8  -4.299   4.900   4.614
   71    HA   ILE   8           HA       ILE   8  -5.654   2.485   3.470
   72    HB   ILE   8           HB       ILE   8  -5.455   3.342   6.376
   73   1HG1  ILE   8          HG12      ILE   8  -4.294   0.898   5.005
   74   2HG1  ILE   8          HG11      ILE   8  -3.366   2.363   5.328
   75   1HG2  ILE   8          HG21      ILE   8  -6.650   0.837   5.157
   76   2HG2  ILE   8          HG22      ILE   8  -7.596   2.210   5.731
   77   3HG2  ILE   8          HG23      ILE   8  -6.629   1.269   6.866
   78   1HD1  ILE   8          HD11      ILE   8  -4.283   2.033   7.783
   79   2HD1  ILE   8          HD12      ILE   8  -2.883   1.114   7.230
   80   3HD1  ILE   8          HD13      ILE   8  -4.477   0.359   7.263
   81    H    ASN   9           HN       ASN   9  -6.794   4.258   2.186
   82    HA   ASN   9           HA       ASN   9  -8.754   5.822   3.801
   83   1HB   ASN   9          HB2       ASN   9  -7.714   5.869   0.973
   84   2HB   ASN   9          HB1       ASN   9  -9.224   6.686   1.365
   85   1HD2  ASN   9          HD21      ASN   9  -6.712   8.019   0.572
   86   2HD2  ASN   9          HD22      ASN   9  -6.254   9.002   1.878
   87    H    GLY  10           HN       GLY  10  -9.151   3.097   3.903
   88   1HA   GLY  10          HA2       GLY  10 -11.366   2.557   1.977
   89   2HA   GLY  10          HA1       GLY  10 -10.452   1.309   2.828
   90    H    LYS  11           HN       LYS  11 -13.348   1.705   2.823
   91    HA   LYS  11           HA       LYS  11 -14.173   2.861   5.353
   92   1HB   LYS  11          HB2       LYS  11 -16.321   1.779   4.751
   93   2HB   LYS  11          HB1       LYS  11 -15.624   2.629   3.373
   94   1HG   LYS  11          HG2       LYS  11 -14.500   0.122   3.124
   95   2HG   LYS  11          HG1       LYS  11 -16.103  -0.255   3.752
   96   1HD   LYS  11          HD2       LYS  11 -17.061   1.250   1.958
   97   2HD   LYS  11          HD1       LYS  11 -15.440   1.345   1.268
   98   1HE   LYS  11          HE2       LYS  11 -16.169  -0.489   0.075
   99   2HE   LYS  11          HE1       LYS  11 -15.688  -1.358   1.547
  100   1HZ   LYS  11          HZ1       LYS  11 -18.376  -0.189   1.051
  101   2HZ   LYS  11          HZ2       LYS  11 -17.902  -1.058   2.432
  102   3HZ   LYS  11          HZ3       LYS  11 -17.997  -1.837   0.925
  103    H    THR  12           HN       THR  12 -12.516  -0.040   4.625
  104    HA   THR  12           HA       THR  12 -13.702  -1.573   6.868
  105    HB   THR  12           HB       THR  12 -11.430  -2.258   4.981
  106    HG1  THR  12           HG1      THR  12 -12.900  -2.854   3.553
  107   1HG2  THR  12          HG21      THR  12 -13.357  -4.229   6.133
  108   2HG2  THR  12          HG22      THR  12 -12.105  -3.579   7.192
  109   3HG2  THR  12          HG23      THR  12 -11.655  -4.435   5.717
  110    H    LEU  13           HN       LEU  13 -10.752   0.193   6.014
  111    HA   LEU  13           HA       LEU  13  -9.872  -0.028   8.859
  112   1HB   LEU  13          HB2       LEU  13  -8.911  -1.705   6.938
  113   2HB   LEU  13          HB1       LEU  13  -7.768  -0.371   6.798
  114    HG   LEU  13           HG       LEU  13  -7.669  -0.520   9.409
  115   1HD1  LEU  13          HD11      LEU  13  -9.607  -2.352   9.114
  116   2HD1  LEU  13          HD12      LEU  13  -8.430  -2.442  10.425
  117   3HD1  LEU  13          HD13      LEU  13  -8.211  -3.420   8.973
  118   1HD2  LEU  13          HD21      LEU  13  -5.679  -1.019   8.283
  119   2HD2  LEU  13          HD22      LEU  13  -6.408  -2.348   7.381
  120   3HD2  LEU  13          HD23      LEU  13  -6.025  -2.547   9.092
  121    H    LYS  14           HN       LYS  14  -7.835   1.457   9.134
  122    HA   LYS  14           HA       LYS  14  -7.538   3.667   7.249
  123   1HB   LYS  14          HB2       LYS  14  -9.768   3.981   8.462
  124   2HB   LYS  14          HB1       LYS  14  -8.819   4.244   9.926
  125   1HG   LYS  14          HG2       LYS  14  -7.781   6.186   9.037
  126   2HG   LYS  14          HG1       LYS  14  -8.294   5.803   7.393
  127   1HD   LYS  14          HD2       LYS  14  -9.727   7.567   8.231
  128   2HD   LYS  14          HD1       LYS  14 -10.678   6.083   8.147
  129   1HE   LYS  14          HE2       LYS  14 -10.126   5.701  10.598
  130   2HE   LYS  14          HE1       LYS  14  -9.455   7.344  10.621
  131   1HZ   LYS  14          HZ1       LYS  14 -12.191   6.637   9.699
  132   2HZ   LYS  14          HZ2       LYS  14 -11.536   8.202   9.798
  133   3HZ   LYS  14          HZ3       LYS  14 -11.828   7.309  11.213
  134    H    GLY  15           HN       GLY  15  -5.632   4.816   7.684
  135   1HA   GLY  15          HA2       GLY  15  -4.204   5.626   9.695
  136   2HA   GLY  15          HA1       GLY  15  -4.101   3.907  10.077
  137    H    GLU  16           HN       GLU  16  -2.212   3.039   9.412
  138    HA   GLU  16           HA       GLU  16  -1.221   3.536   6.675
  139   1HB   GLU  16          HB2       GLU  16  -0.447   5.383   8.301
  140   2HB   GLU  16          HB1       GLU  16   0.548   4.135   9.053
  141   1HG   GLU  16          HG2       GLU  16   1.306   3.676   6.564
  142   2HG   GLU  16          HG1       GLU  16   0.768   5.338   6.316
  143    H    THR  17           HN       THR  17   0.364   1.949   6.048
  144    HA   THR  17           HA       THR  17   0.955  -0.205   8.038
  145    HB   THR  17           HB       THR  17   0.039  -0.741   5.207
  146    HG1  THR  17           HG1      THR  17  -1.776   0.084   5.918
  147   1HG2  THR  17          HG21      THR  17   0.274  -2.340   7.758
  148   2HG2  THR  17          HG22      THR  17   1.069  -2.636   6.212
  149   3HG2  THR  17          HG23      THR  17  -0.667  -2.904   6.377
  150    H    THR  18           HN       THR  18   2.985  -1.158   7.727
  151    HA   THR  18           HA       THR  18   4.593  -0.184   5.385
  152    HB   THR  18           HB       THR  18   6.497  -0.175   7.005
  153    HG1  THR  18           HG1      THR  18   6.225  -0.943   8.940
  154   1HG2  THR  18          HG21      THR  18   4.636   1.732   6.651
  155   2HG2  THR  18          HG22      THR  18   5.980   1.923   7.778
  156   3HG2  THR  18          HG23      THR  18   4.395   1.428   8.372
  157    H    THR  19           HN       THR  19   6.159  -1.708   4.570
  158    HA   THR  19           HA       THR  19   6.177  -4.452   5.693
  159    HB   THR  19           HB       THR  19   4.214  -4.347   4.205
  160    HG1  THR  19           HG1      THR  19   4.876  -6.289   3.827
  161   1HG2  THR  19          HG21      THR  19   5.405  -2.473   2.789
  162   2HG2  THR  19          HG22      THR  19   4.274  -3.577   2.007
  163   3HG2  THR  19          HG23      THR  19   6.011  -3.841   1.855
  164    H    GLU  20           HN       GLU  20   8.098  -5.527   5.198
  165    HA   GLU  20           HA       GLU  20  10.289  -3.947   4.088
  166   1HB   GLU  20          HB2       GLU  20  11.579  -5.998   4.660
  167   2HB   GLU  20          HB1       GLU  20  10.549  -5.480   5.993
  168   1HG   GLU  20          HG2       GLU  20   8.926  -7.191   4.460
  169   2HG   GLU  20          HG1       GLU  20  10.503  -7.979   4.497
  170    H    ALA  21           HN       ALA  21  10.503  -3.726   1.895
  171    HA   ALA  21           HA       ALA  21  10.254  -6.163   0.188
  172   1HB   ALA  21          HB1       ALA  21   8.529  -5.277  -1.027
  173   2HB   ALA  21          HB2       ALA  21   9.183  -3.642  -0.937
  174   3HB   ALA  21          HB3       ALA  21   8.258  -4.297   0.414
  175    H    VAL  22           HN       VAL  22  11.810  -6.198  -1.448
  176    HA   VAL  22           HA       VAL  22  14.117  -4.574  -1.337
  177    HB   VAL  22           HB       VAL  22  14.588  -5.633  -3.521
  178   1HG1  VAL  22          HG11      VAL  22  14.556  -6.883  -1.237
  179   2HG1  VAL  22          HG12      VAL  22  14.682  -7.829  -2.720
  180   3HG1  VAL  22          HG13      VAL  22  13.131  -7.688  -1.893
  181   1HG2  VAL  22          HG21      VAL  22  12.399  -5.391  -4.577
  182   2HG2  VAL  22          HG22      VAL  22  11.680  -6.471  -3.385
  183   3HG2  VAL  22          HG23      VAL  22  12.849  -7.095  -4.546
  184    H    ASP  23           HN       ASP  23  11.157  -4.218  -3.263
  185    HA   ASP  23           HA       ASP  23  11.524  -1.367  -3.597
  186   1HB   ASP  23          HB2       ASP  23  13.182  -2.703  -5.185
  187   2HB   ASP  23          HB1       ASP  23  11.740  -2.862  -6.188
  188    H    ALA  24           HN       ALA  24   9.940  -0.766  -5.673
  189    HA   ALA  24           HA       ALA  24   7.305  -1.308  -4.887
  190   1HB   ALA  24          HB1       ALA  24   7.861  -0.845  -7.772
  191   2HB   ALA  24          HB2       ALA  24   8.533   0.327  -6.638
  192   3HB   ALA  24          HB3       ALA  24   6.794   0.038  -6.680
  193    H    ALA  25           HN       ALA  25   9.443  -3.288  -6.815
  194    HA   ALA  25           HA       ALA  25   7.576  -4.842  -8.298
  195   1HB   ALA  25          HB1       ALA  25  10.090  -5.928  -7.026
  196   2HB   ALA  25          HB2       ALA  25  10.172  -4.717  -8.305
  197   3HB   ALA  25          HB3       ALA  25   9.427  -6.283  -8.621
  198    H    THR  26           HN       THR  26   8.473  -4.954  -4.895
  199    HA   THR  26           HA       THR  26   6.712  -7.358  -4.531
  200    HB   THR  26           HB       THR  26   8.886  -6.333  -2.691
  201    HG1  THR  26           HG1      THR  26   9.082  -8.314  -4.708
  202   1HG2  THR  26          HG21      THR  26   7.193  -8.790  -2.913
  203   2HG2  THR  26          HG22      THR  26   7.679  -7.891  -1.476
  204   3HG2  THR  26          HG23      THR  26   8.832  -8.954  -2.282
  205    H    ALA  27           HN       ALA  27   7.256  -4.024  -3.629
  206    HA   ALA  27           HA       ALA  27   5.884  -3.845  -1.155
  207   1HB   ALA  27          HB1       ALA  27   5.684  -1.785  -3.347
  208   2HB   ALA  27          HB2       ALA  27   7.231  -2.131  -2.579
  209   3HB   ALA  27          HB3       ALA  27   5.883  -1.528  -1.614
  210    H    GLU  28           HN       GLU  28   4.480  -3.010  -4.354
  211    HA   GLU  28           HA       GLU  28   1.760  -2.915  -3.482
  212   1HB   GLU  28          HB2       GLU  28   3.136  -2.310  -5.733
  213   2HB   GLU  28          HB1       GLU  28   2.395  -3.828  -6.245
  214   1HG   GLU  28          HG2       GLU  28   0.184  -2.997  -5.763
  215   2HG   GLU  28          HG1       GLU  28   0.837  -1.555  -4.988
  216    H    LYS  29           HN       LYS  29   3.737  -5.613  -4.690
  217    HA   LYS  29           HA       LYS  29   1.703  -7.570  -5.045
  218   1HB   LYS  29          HB2       LYS  29   4.177  -7.647  -5.627
  219   2HB   LYS  29          HB1       LYS  29   4.488  -8.005  -3.928
  220   1HG   LYS  29          HG2       LYS  29   2.898  -9.957  -4.140
  221   2HG   LYS  29          HG1       LYS  29   2.858  -9.654  -5.877
  222   1HD   LYS  29          HD2       LYS  29   5.281  -9.980  -6.020
  223   2HD   LYS  29          HD1       LYS  29   5.371 -10.210  -4.273
  224   1HE   LYS  29          HE2       LYS  29   4.525 -12.346  -4.379
  225   2HE   LYS  29          HE1       LYS  29   3.447 -11.957  -5.734
  226   1HZ   LYS  29          HZ1       LYS  29   5.259 -13.324  -6.517
  227   2HZ   LYS  29          HZ2       LYS  29   6.403 -12.249  -5.865
  228   3HZ   LYS  29          HZ3       LYS  29   5.416 -11.763  -7.160
  229    H    VAL  30           HN       VAL  30   3.556  -6.685  -2.127
  230    HA   VAL  30           HA       VAL  30   2.157  -8.601  -0.410
  231    HB   VAL  30           HB       VAL  30   3.993  -6.232   0.108
  232   1HG1  VAL  30          HG11      VAL  30   2.838  -8.337   1.940
  233   2HG1  VAL  30          HG12      VAL  30   2.880  -6.587   2.167
  234   3HG1  VAL  30          HG13      VAL  30   4.363  -7.533   2.315
  235   1HG2  VAL  30          HG21      VAL  30   4.641  -9.179   0.280
  236   2HG2  VAL  30          HG22      VAL  30   5.761  -7.818   0.196
  237   3HG2  VAL  30          HG23      VAL  30   4.819  -8.274  -1.224
  238    H    PHE  31           HN       PHE  31   2.163  -5.035  -0.778
  239    HA   PHE  31           HA       PHE  31   0.145  -4.480   1.159
  240   1HB   PHE  31          HB2       PHE  31   1.321  -3.130  -1.245
  241   2HB   PHE  31          HB1       PHE  31  -0.122  -2.427  -0.519
  242    HD1  PHE  31           HD1      PHE  31   0.220  -2.891   2.345
  243    HD2  PHE  31           HD2      PHE  31   3.149  -1.821  -0.610
  244    HE1  PHE  31           HE1      PHE  31   1.615  -1.845   4.106
  245    HE2  PHE  31           HE2      PHE  31   4.543  -0.779   1.155
  246    HZ   PHE  31           HZ       PHE  31   3.778  -0.791   3.512
  247    H    LYS  32           HN       LYS  32  -0.085  -5.448  -2.246
  248    HA   LYS  32           HA       LYS  32  -2.872  -4.865  -2.616
  249   1HB   LYS  32          HB2       LYS  32  -0.832  -6.707  -3.850
  250   2HB   LYS  32          HB1       LYS  32  -2.521  -6.841  -4.333
  251   1HG   LYS  32          HG2       LYS  32  -2.584  -4.549  -5.060
  252   2HG   LYS  32          HG1       LYS  32  -0.998  -4.224  -4.360
  253   1HD   LYS  32          HD2       LYS  32  -0.651  -4.528  -6.715
  254   2HD   LYS  32          HD1       LYS  32  -0.071  -5.997  -5.930
  255   1HE   LYS  32          HE2       LYS  32  -2.430  -6.955  -6.349
  256   2HE   LYS  32          HE1       LYS  32  -2.644  -5.594  -7.468
  257   1HZ   LYS  32          HZ1       LYS  32  -1.695  -7.445  -8.656
  258   2HZ   LYS  32          HZ2       LYS  32  -0.444  -7.592  -7.516
  259   3HZ   LYS  32          HZ3       LYS  32  -0.528  -6.223  -8.520
  260    H    GLN  33           HN       GLN  33  -1.134  -7.764  -1.487
  261    HA   GLN  33           HA       GLN  33  -3.431  -9.447  -1.117
  262   1HB   GLN  33          HB2       GLN  33  -1.035 -10.163  -1.219
  263   2HB   GLN  33          HB1       GLN  33  -0.775  -9.400   0.351
  264   1HG   GLN  33          HG2       GLN  33  -1.163 -11.726   0.786
  265   2HG   GLN  33          HG1       GLN  33  -2.642 -10.881   1.246
  266   1HE2  GLN  33          HE21      GLN  33  -4.541 -11.167  -0.111
  267   2HE2  GLN  33          HE22      GLN  33  -4.611 -12.372  -1.304
  268    H    TYR  34           HN       TYR  34  -1.880  -7.018   0.839
  269    HA   TYR  34           HA       TYR  34  -3.249  -7.541   3.331
  270   1HB   TYR  34          HB2       TYR  34  -1.265  -6.274   3.461
  271   2HB   TYR  34          HB1       TYR  34  -1.677  -5.302   2.054
  272    HD1  TYR  34           HD1      TYR  34  -2.346  -5.846   5.653
  273    HD2  TYR  34           HD2      TYR  34  -3.000  -3.301   2.261
  274    HE1  TYR  34           HE1      TYR  34  -3.253  -4.084   7.150
  275    HE2  TYR  34           HE2      TYR  34  -3.907  -1.538   3.747
  276    HH   TYR  34           HH       TYR  34  -3.405  -1.266   6.789
  277    H    ALA  35           HN       ALA  35  -3.742  -5.009   0.845
  278    HA   ALA  35           HA       ALA  35  -6.188  -3.964   1.862
  279   1HB   ALA  35          HB1       ALA  35  -5.250  -2.616   0.246
  280   2HB   ALA  35          HB2       ALA  35  -6.358  -3.508  -0.798
  281   3HB   ALA  35          HB3       ALA  35  -4.663  -3.989  -0.698
  282    H    ASN  36           HN       ASN  36  -5.585  -6.576  -0.495
  283    HA   ASN  36           HA       ASN  36  -8.231  -7.098  -1.307
  284   1HB   ASN  36          HB2       ASN  36  -5.636  -8.514  -1.164
  285   2HB   ASN  36          HB1       ASN  36  -7.048  -9.561  -1.299
  286   1HD2  ASN  36          HD21      ASN  36  -4.997  -9.029  -3.401
  287   2HD2  ASN  36          HD22      ASN  36  -5.841  -8.373  -4.719
  288    H    ASP  37           HN       ASP  37  -6.478  -8.231   1.567
  289    HA   ASP  37           HA       ASP  37  -8.378 -10.141   2.511
  290   1HB   ASP  37          HB2       ASP  37  -5.965  -9.593   3.254
  291   2HB   ASP  37          HB1       ASP  37  -6.690  -8.326   4.244
  292    H    ASN  38           HN       ASN  38  -8.162  -6.621   2.978
  293    HA   ASN  38           HA       ASN  38 -10.564  -6.602   4.712
  294   1HB   ASN  38          HB2       ASN  38  -8.584  -4.553   3.688
  295   2HB   ASN  38          HB1       ASN  38  -9.990  -4.102   4.654
  296   1HD2  ASN  38          HD21      ASN  38  -7.034  -6.135   4.740
  297   2HD2  ASN  38          HD22      ASN  38  -6.907  -6.151   6.433
  298    H    GLY  39           HN       GLY  39  -9.599  -5.797   1.417
  299   1HA   GLY  39          HA2       GLY  39 -11.232  -5.845  -0.398
  300   2HA   GLY  39          HA1       GLY  39 -12.468  -5.334   0.753
  301    H    ILE  40           HN       ILE  40  -9.210  -3.983   0.182
  302    HA   ILE  40           HA       ILE  40 -10.445  -1.293  -0.069
  303    HB   ILE  40           HB       ILE  40  -7.589  -2.280   0.242
  304   1HG1  ILE  40          HG12      ILE  40  -9.482  -0.899   2.175
  305   2HG1  ILE  40          HG11      ILE  40  -9.108  -2.620   2.189
  306   1HG2  ILE  40          HG21      ILE  40  -8.764   0.458  -0.139
  307   2HG2  ILE  40          HG22      ILE  40  -7.242  -0.194  -0.754
  308   3HG2  ILE  40          HG23      ILE  40  -7.383   0.277   0.941
  309   1HD1  ILE  40          HD11      ILE  40  -7.677  -0.525   3.462
  310   2HD1  ILE  40          HD12      ILE  40  -6.642  -1.130   2.167
  311   3HD1  ILE  40          HD13      ILE  40  -7.252  -2.234   3.400
  312    H    ASP  41           HN       ASP  41 -11.213  -2.411  -2.297
  313    HA   ASP  41           HA       ASP  41  -9.185  -2.320  -4.435
  314   1HB   ASP  41          HB2       ASP  41 -12.025  -3.095  -4.034
  315   2HB   ASP  41          HB1       ASP  41 -11.626  -2.507  -5.648
  316    H    GLY  42           HN       GLY  42  -8.975   0.095  -3.388
  317   1HA   GLY  42          HA2       GLY  42 -10.902   1.987  -4.559
  318   2HA   GLY  42          HA1       GLY  42  -9.534   2.394  -3.521
  319    H    GLU  43           HN       GLU  43  -8.484   3.879  -4.761
  320    HA   GLU  43           HA       GLU  43  -7.663   3.077  -7.493
  321   1HB   GLU  43          HB2       GLU  43  -8.160   5.762  -6.185
  322   2HB   GLU  43          HB1       GLU  43  -7.435   5.597  -7.784
  323   1HG   GLU  43          HG2       GLU  43  -9.940   4.068  -7.361
  324   2HG   GLU  43          HG1       GLU  43 -10.115   5.822  -7.367
  325    H    TRP  44           HN       TRP  44  -5.664   2.150  -7.129
  326    HA   TRP  44           HA       TRP  44  -3.861   3.034  -5.088
  327   1HB   TRP  44          HB2       TRP  44  -3.720   1.169  -7.442
  328   2HB   TRP  44          HB1       TRP  44  -2.320   1.447  -6.398
  329    HD1  TRP  44           HD1      TRP  44  -6.047   0.486  -6.058
  330    HE1  TRP  44           HE1      TRP  44  -6.283  -1.081  -4.021
  331    HE3  TRP  44           HE3      TRP  44  -1.219   0.464  -4.392
  332    HZ2  TRP  44           HZ2      TRP  44  -4.644  -2.175  -1.956
  333    HZ3  TRP  44           HZ3      TRP  44  -0.584  -0.850  -2.388
  334    HH2  TRP  44           HH2      TRP  44  -2.291  -2.174  -1.170
  335    H    THR  45           HN       THR  45  -2.044   4.239  -5.211
  336    HA   THR  45           HA       THR  45  -1.019   5.291  -7.758
  337    HB   THR  45           HB       THR  45  -1.296   7.660  -6.752
  338    HG1  THR  45           HG1      THR  45  -2.974   7.837  -5.273
  339   1HG2  THR  45          HG21      THR  45  -3.988   6.536  -7.376
  340   2HG2  THR  45          HG22      THR  45  -2.722   6.337  -8.588
  341   3HG2  THR  45          HG23      THR  45  -3.178   7.952  -8.047
  342    H    TYR  46           HN       TYR  46   1.165   5.472  -7.504
  343    HA   TYR  46           HA       TYR  46   2.257   5.272  -4.733
  344   1HB   TYR  46          HB2       TYR  46   2.899   3.446  -6.107
  345   2HB   TYR  46          HB1       TYR  46   3.135   4.471  -7.516
  346    HD1  TYR  46           HD1      TYR  46   5.111   6.025  -7.602
  347    HD2  TYR  46           HD2      TYR  46   4.686   3.026  -4.557
  348    HE1  TYR  46           HE1      TYR  46   7.531   6.195  -7.095
  349    HE2  TYR  46           HE2      TYR  46   7.098   3.194  -4.052
  350    HH   TYR  46           HH       TYR  46   9.042   5.732  -5.187
  351    H    ASP  47           HN       ASP  47   3.465   6.952  -3.930
  352    HA   ASP  47           HA       ASP  47   4.003   9.291  -5.711
  353   1HB   ASP  47          HB2       ASP  47   3.627   8.848  -2.745
  354   2HB   ASP  47          HB1       ASP  47   4.306  10.354  -3.363
  355    H    ASP  48           HN       ASP  48   6.062   9.138  -6.540
  356    HA   ASP  48           HA       ASP  48   8.236   7.682  -5.361
  357   1HB   ASP  48          HB2       ASP  48   7.697   8.735  -7.771
  358   2HB   ASP  48          HB1       ASP  48   8.728  10.023  -7.149
  359    H    ALA  49           HN       ALA  49   6.992  10.887  -4.753
  360    HA   ALA  49           HA       ALA  49   9.220  12.310  -3.840
  361   1HB   ALA  49          HB1       ALA  49   7.115  13.388  -3.994
  362   2HB   ALA  49          HB2       ALA  49   7.441  13.331  -2.261
  363   3HB   ALA  49          HB3       ALA  49   6.329  12.171  -2.988
  364    H    THR  50           HN       THR  50   7.319   9.843  -2.117
  365    HA   THR  50           HA       THR  50   9.542   9.556  -0.158
  366    HB   THR  50           HB       THR  50   7.892   9.731   1.699
  367    HG1  THR  50           HG1      THR  50   5.819  10.352   1.239
  368   1HG2  THR  50          HG21      THR  50   7.718  12.117   1.673
  369   2HG2  THR  50          HG22      THR  50   7.717  12.163  -0.090
  370   3HG2  THR  50          HG23      THR  50   9.187  11.723   0.780
  371    H    LYS  51           HN       LYS  51   7.998   7.951  -2.376
  372    HA   LYS  51           HA       LYS  51   7.270   5.726  -2.700
  373   1HB   LYS  51          HB2       LYS  51   9.524   5.877  -0.909
  374   2HB   LYS  51          HB1       LYS  51   8.506   4.524  -0.421
  375   1HG   LYS  51          HG2       LYS  51   9.627   3.392  -2.045
  376   2HG   LYS  51          HG1       LYS  51   8.507   4.210  -3.135
  377   1HD   LYS  51          HD2       LYS  51  10.676   4.638  -4.028
  378   2HD   LYS  51          HD1       LYS  51  10.213   6.126  -3.202
  379   1HE   LYS  51          HE2       LYS  51  11.587   5.594  -1.294
  380   2HE   LYS  51          HE1       LYS  51  11.877   3.949  -1.892
  381   1HZ   LYS  51          HZ1       LYS  51  12.729   6.496  -3.159
  382   2HZ   LYS  51          HZ2       LYS  51  12.814   4.986  -3.934
  383   3HZ   LYS  51          HZ3       LYS  51  13.732   5.280  -2.534
  384    H    THR  52           HN       THR  52   5.000   6.218  -2.128
  385    HA   THR  52           HA       THR  52   4.157   4.763   0.316
  386    HB   THR  52           HB       THR  52   3.389   7.633  -0.292
  387    HG1  THR  52           HG1      THR  52   4.931   8.190   1.031
  388   1HG2  THR  52          HG21      THR  52   1.847   5.893   1.007
  389   2HG2  THR  52          HG22      THR  52   2.003   7.563   1.552
  390   3HG2  THR  52          HG23      THR  52   2.937   6.289   2.336
  391    H    PHE  53           HN       PHE  53   2.864   3.269  -0.768
  392    HA   PHE  53           HA       PHE  53   1.290   3.790  -3.115
  393   1HB   PHE  53          HB2       PHE  53   1.147   1.744  -0.878
  394   2HB   PHE  53          HB1       PHE  53   0.130   1.659  -2.316
  395    HD1  PHE  53           HD1      PHE  53   1.076   1.169  -4.510
  396    HD2  PHE  53           HD2      PHE  53   3.567   1.397  -1.019
  397    HE1  PHE  53           HE1      PHE  53   2.924   0.089  -5.760
  398    HE2  PHE  53           HE2      PHE  53   5.417   0.315  -2.266
  399    HZ   PHE  53           HZ       PHE  53   5.094  -0.339  -4.640
  400    H    THR  54           HN       THR  54  -0.808   4.641  -3.297
  401    HA   THR  54           HA       THR  54  -2.204   5.288  -0.711
  402    HB   THR  54           HB       THR  54  -1.947   6.961  -3.226
  403    HG1  THR  54           HG1      THR  54  -0.189   7.629  -2.336
  404   1HG2  THR  54          HG21      THR  54  -3.325   8.518  -2.269
  405   2HG2  THR  54          HG22      THR  54  -2.808   8.120  -0.631
  406   3HG2  THR  54          HG23      THR  54  -3.986   7.100  -1.456
  407    H    VAL  55           HN       VAL  55  -3.859   3.672  -0.848
  408    HA   VAL  55           HA       VAL  55  -5.545   3.677  -3.278
  409    HB   VAL  55           HB       VAL  55  -4.666   1.488  -2.410
  410   1HG1  VAL  55          HG11      VAL  55  -4.811   2.180   0.022
  411   2HG1  VAL  55          HG12      VAL  55  -5.460   0.577  -0.342
  412   3HG1  VAL  55          HG13      VAL  55  -6.556   1.949  -0.114
  413   1HG2  VAL  55          HG21      VAL  55  -7.661   1.720  -2.130
  414   2HG2  VAL  55          HG22      VAL  55  -6.744   0.298  -2.619
  415   3HG2  VAL  55          HG23      VAL  55  -6.825   1.703  -3.682
  416    H    THR  56           HN       THR  56  -7.952   3.556  -2.809
  417    HA   THR  56           HA       THR  56  -8.923   4.669  -0.274
  418    HB   THR  56           HB       THR  56  -8.901   6.216  -2.883
  419    HG1  THR  56           HG1      THR  56  -7.363   7.365  -1.986
  420   1HG2  THR  56          HG21      THR  56 -10.852   7.053  -2.040
  421   2HG2  THR  56          HG22      THR  56  -9.769   7.980  -1.002
  422   3HG2  THR  56          HG23      THR  56 -10.502   6.491  -0.406
  423    H    GLU  57           HN       GLU  57 -10.666   3.260  -0.083
  424    HA   GLU  57           HA       GLU  57 -12.069   2.011  -2.232
  425   1HB   GLU  57          HB2       GLU  57 -12.821   2.663   0.634
  426   2HB   GLU  57          HB1       GLU  57 -13.776   1.604  -0.402
  427   1HG   GLU  57          HG2       GLU  57 -11.625   0.267  -0.776
  428   2HG   GLU  57          HG1       GLU  57 -10.943   1.188   0.565
  Start of MODEL   20
    1   1H    MET   1          HT1       MET   1  16.368   1.182   5.829
    2   2H    MET   1          HT2       MET   1  16.742  -0.312   6.547
    3   3H    MET   1          HT3       MET   1  15.155   0.290   6.610
    4    HA   MET   1           HA       MET   1  16.585  -0.549   4.136
    5   1HB   MET   1          HB2       MET   1  14.848  -1.828   6.176
    6   2HB   MET   1          HB1       MET   1  14.434  -2.184   4.498
    7   1HG   MET   1          HG2       MET   1  16.015  -3.828   4.812
    8   2HG   MET   1          HG1       MET   1  17.090  -2.517   4.329
    9   1HE   MET   1          HE1       MET   1  15.723  -4.794   6.946
   10   2HE   MET   1          HE2       MET   1  17.063  -4.881   8.087
   11   3HE   MET   1          HE3       MET   1  17.322  -5.321   6.401
   12    H    THR   2           HN       THR   2  14.401  -1.182   2.672
   13    HA   THR   2           HA       THR   2  13.194   1.431   2.089
   14    HB   THR   2           HB       THR   2  12.809  -1.327   0.879
   15    HG1  THR   2           HG1      THR   2  14.535   0.823   0.220
   16   1HG2  THR   2          HG21      THR   2  12.287   1.414  -0.301
   17   2HG2  THR   2          HG22      THR   2  11.032   0.360   0.352
   18   3HG2  THR   2          HG23      THR   2  11.959  -0.143  -1.063
   19    H    THR   3           HN       THR   3  11.461   2.047   3.336
   20    HA   THR   3           HA       THR   3   9.504  -0.006   4.182
   21    HB   THR   3           HB       THR   3   9.842   2.786   5.270
   22    HG1  THR   3           HG1      THR   3  11.179   1.706   6.855
   23   1HG2  THR   3          HG21      THR   3   7.890   1.023   5.760
   24   2HG2  THR   3          HG22      THR   3   8.531   2.075   7.022
   25   3HG2  THR   3          HG23      THR   3   9.087   0.406   6.899
   26    H    PHE   4           HN       PHE   4   8.209   0.031   2.249
   27    HA   PHE   4           HA       PHE   4   7.259   2.446   0.989
   28   1HB   PHE   4          HB2       PHE   4   6.255  -0.417   1.065
   29   2HB   PHE   4          HB1       PHE   4   5.621   0.811  -0.030
   30    HD1  PHE   4           HD1      PHE   4   8.386  -1.448   0.700
   31    HD2  PHE   4           HD2      PHE   4   7.104   1.833  -1.758
   32    HE1  PHE   4           HE1      PHE   4  10.251  -1.897  -0.872
   33    HE2  PHE   4           HE2      PHE   4   8.972   1.384  -3.327
   34    HZ   PHE   4           HZ       PHE   4  10.541  -0.477  -2.885
   35    H    LYS   5           HN       LYS   5   4.830   2.973   0.934
   36    HA   LYS   5           HA       LYS   5   3.478   2.476   3.556
   37   1HB   LYS   5          HB2       LYS   5   4.507   5.004   2.369
   38   2HB   LYS   5          HB1       LYS   5   2.922   5.093   3.138
   39   1HG   LYS   5          HG2       LYS   5   3.822   4.186   5.209
   40   2HG   LYS   5          HG1       LYS   5   5.396   3.936   4.453
   41   1HD   LYS   5          HD2       LYS   5   5.695   6.327   4.156
   42   2HD   LYS   5          HD1       LYS   5   4.058   6.641   4.736
   43   1HE   LYS   5          HE2       LYS   5   4.709   5.590   6.938
   44   2HE   LYS   5          HE1       LYS   5   6.380   5.527   6.345
   45   1HZ   LYS   5          HZ1       LYS   5   5.768   7.605   7.595
   46   2HZ   LYS   5          HZ2       LYS   5   4.744   8.001   6.298
   47   3HZ   LYS   5          HZ3       LYS   5   6.418   7.856   6.049
   48    H    LEU   6           HN       LEU   6   1.466   1.697   3.065
   49    HA   LEU   6           HA       LEU   6   0.224   2.398   0.449
   50   1HB   LEU   6          HB2       LEU   6   0.433   0.033   1.025
   51   2HB   LEU   6          HB1       LEU   6  -0.359   0.307   2.575
   52    HG   LEU   6           HG       LEU   6  -2.388   1.123   1.245
   53   1HD1  LEU   6          HD11      LEU   6  -2.460   0.145  -1.108
   54   2HD1  LEU   6          HD12      LEU   6  -0.711  -0.056  -0.978
   55   3HD1  LEU   6          HD13      LEU   6  -1.421   1.556  -0.899
   56   1HD2  LEU   6          HD21      LEU   6  -2.824  -1.379   0.436
   57   2HD2  LEU   6          HD22      LEU   6  -2.769  -0.969   2.151
   58   3HD2  LEU   6          HD23      LEU   6  -1.356  -1.680   1.367
   59    H    ILE   7           HN       ILE   7  -1.487   3.811   0.381
   60    HA   ILE   7           HA       ILE   7  -2.469   5.032   2.856
   61    HB   ILE   7           HB       ILE   7  -2.014   5.954   0.381
   62   1HG1  ILE   7          HG12      ILE   7  -3.826   7.735   0.926
   63   2HG1  ILE   7          HG11      ILE   7  -4.066   6.799   2.402
   64   1HG2  ILE   7          HG21      ILE   7  -3.779   4.505  -0.653
   65   2HG2  ILE   7          HG22      ILE   7  -4.030   6.227  -0.935
   66   3HG2  ILE   7          HG23      ILE   7  -4.988   5.384   0.281
   67   1HD1  ILE   7          HD11      ILE   7  -1.540   8.167   1.460
   68   2HD1  ILE   7          HD12      ILE   7  -1.530   6.942   2.728
   69   3HD1  ILE   7          HD13      ILE   7  -2.429   8.441   2.959
   70    H    ILE   8           HN       ILE   8  -5.015   5.177   3.061
   71    HA   ILE   8           HA       ILE   8  -6.220   2.539   2.303
   72    HB   ILE   8           HB       ILE   8  -6.330   3.969   4.978
   73   1HG1  ILE   8          HG12      ILE   8  -5.020   1.339   4.226
   74   2HG1  ILE   8          HG11      ILE   8  -4.147   2.861   4.407
   75   1HG2  ILE   8          HG21      ILE   8  -7.267   1.160   4.478
   76   2HG2  ILE   8          HG22      ILE   8  -8.339   2.508   4.105
   77   3HG2  ILE   8          HG23      ILE   8  -7.746   2.285   5.749
   78   1HD1  ILE   8          HD11      ILE   8  -4.485   2.939   6.709
   79   2HD1  ILE   8          HD12      ILE   8  -4.331   1.203   6.449
   80   3HD1  ILE   8          HD13      ILE   8  -5.928   1.928   6.635
   81    H    ASN   9           HN       ASN   9  -7.097   4.135   0.585
   82    HA   ASN   9           HA       ASN   9  -9.269   5.895   1.597
   83   1HB   ASN   9          HB2       ASN   9  -7.531   5.672  -0.743
   84   2HB   ASN   9          HB1       ASN   9  -9.216   5.882  -1.214
   85   1HD2  ASN   9          HD21      ASN   9  -6.865   7.840  -1.274
   86   2HD2  ASN   9          HD22      ASN   9  -7.427   9.198  -0.424
   87    H    GLY  10           HN       GLY  10  -9.812   3.288   2.197
   88   1HA   GLY  10          HA2       GLY  10 -11.734   2.391   0.088
   89   2HA   GLY  10          HA1       GLY  10 -10.946   1.300   1.230
   90    H    LYS  11           HN       LYS  11 -13.790   1.570   0.841
   91    HA   LYS  11           HA       LYS  11 -14.974   3.143   2.969
   92   1HB   LYS  11          HB2       LYS  11 -15.930   0.757   1.353
   93   2HB   LYS  11          HB1       LYS  11 -16.970   1.748   2.375
   94   1HG   LYS  11          HG2       LYS  11 -16.287   3.753   1.037
   95   2HG   LYS  11          HG1       LYS  11 -15.396   2.679  -0.042
   96   1HD   LYS  11          HD2       LYS  11 -18.352   2.371   0.547
   97   2HD   LYS  11          HD1       LYS  11 -17.723   3.260  -0.841
   98   1HE   LYS  11          HE2       LYS  11 -16.393   1.098  -1.382
   99   2HE   LYS  11          HE1       LYS  11 -17.518   0.301  -0.264
  100   1HZ   LYS  11          HZ1       LYS  11 -19.364   1.284  -1.498
  101   2HZ   LYS  11          HZ2       LYS  11 -18.418   0.294  -2.503
  102   3HZ   LYS  11          HZ3       LYS  11 -18.276   1.984  -2.595
  103    H    THR  12           HN       THR  12 -13.244   0.151   2.956
  104    HA   THR  12           HA       THR  12 -14.596  -0.943   5.338
  105    HB   THR  12           HB       THR  12 -12.063  -1.847   3.943
  106    HG1  THR  12           HG1      THR  12 -13.454  -1.901   2.322
  107   1HG2  THR  12          HG21      THR  12 -12.315  -3.818   5.082
  108   2HG2  THR  12          HG22      THR  12 -14.076  -3.713   5.082
  109   3HG2  THR  12          HG23      THR  12 -13.136  -2.768   6.237
  110    H    LEU  13           HN       LEU  13 -11.578   0.743   4.502
  111    HA   LEU  13           HA       LEU  13 -11.097   1.167   7.421
  112   1HB   LEU  13          HB2       LEU  13  -9.466  -0.350   5.447
  113   2HB   LEU  13          HB1       LEU  13  -8.579   0.684   6.567
  114    HG   LEU  13           HG       LEU  13 -10.732  -1.121   7.622
  115   1HD1  LEU  13          HD11      LEU  13  -8.639  -2.685   8.060
  116   2HD1  LEU  13          HD12      LEU  13  -8.024  -1.904   6.603
  117   3HD1  LEU  13          HD13      LEU  13  -9.541  -2.803   6.550
  118   1HD2  LEU  13          HD21      LEU  13  -9.060  -1.120   9.556
  119   2HD2  LEU  13          HD22      LEU  13  -9.821   0.431   9.201
  120   3HD2  LEU  13          HD23      LEU  13  -8.172   0.114   8.663
  121    H    LYS  14           HN       LYS  14  -9.506   2.928   7.801
  122    HA   LYS  14           HA       LYS  14  -9.033   4.745   5.481
  123   1HB   LYS  14          HB2       LYS  14 -10.856   5.081   7.788
  124   2HB   LYS  14          HB1       LYS  14  -9.826   6.474   7.453
  125   1HG   LYS  14          HG2       LYS  14 -10.624   5.853   4.930
  126   2HG   LYS  14          HG1       LYS  14 -12.039   5.328   5.844
  127   1HD   LYS  14          HD2       LYS  14 -12.363   7.493   6.785
  128   2HD   LYS  14          HD1       LYS  14 -10.766   8.036   6.270
  129   1HE   LYS  14          HE2       LYS  14 -11.851   8.921   4.466
  130   2HE   LYS  14          HE1       LYS  14 -11.955   7.250   3.878
  131   1HZ   LYS  14          HZ1       LYS  14 -14.164   8.098   3.992
  132   2HZ   LYS  14          HZ2       LYS  14 -13.930   8.689   5.567
  133   3HZ   LYS  14          HZ3       LYS  14 -13.982   7.015   5.284
  134    H    GLY  15           HN       GLY  15  -7.045   5.770   5.647
  135   1HA   GLY  15          HA2       GLY  15  -5.531   6.930   7.401
  136   2HA   GLY  15          HA1       GLY  15  -5.511   5.343   8.171
  137    H    GLU  16           HN       GLU  16  -3.297   4.937   7.857
  138    HA   GLU  16           HA       GLU  16  -2.526   4.279   5.051
  139   1HB   GLU  16          HB2       GLU  16  -1.805   6.601   5.611
  140   2HB   GLU  16          HB1       GLU  16  -0.893   5.962   6.980
  141   1HG   GLU  16          HG2       GLU  16   0.601   4.769   5.564
  142   2HG   GLU  16          HG1       GLU  16  -0.447   4.973   4.160
  143    H    THR  17           HN       THR  17  -0.465   2.949   5.050
  144    HA   THR  17           HA       THR  17   0.029   1.510   7.625
  145    HB   THR  17           HB       THR  17  -0.341   0.120   4.965
  146    HG1  THR  17           HG1      THR  17  -2.261   0.733   6.957
  147   1HG2  THR  17          HG21      THR  17   0.732  -1.279   6.552
  148   2HG2  THR  17          HG22      THR  17  -0.966  -1.751   6.609
  149   3HG2  THR  17          HG23      THR  17  -0.297  -0.711   7.866
  150    H    THR  18           HN       THR  18   2.040   0.085   7.393
  151    HA   THR  18           HA       THR  18   3.970   1.142   5.361
  152    HB   THR  18           HB       THR  18   5.605   1.153   7.367
  153    HG1  THR  18           HG1      THR  18   4.129  -0.005   8.726
  154   1HG2  THR  18          HG21      THR  18   3.336   3.069   6.915
  155   2HG2  THR  18          HG22      THR  18   5.050   3.270   6.550
  156   3HG2  THR  18          HG23      THR  18   4.487   3.364   8.219
  157    H    THR  19           HN       THR  19   5.944  -0.288   5.230
  158    HA   THR  19           HA       THR  19   5.578  -3.050   6.274
  159    HB   THR  19           HB       THR  19   4.401  -2.945   4.113
  160    HG1  THR  19           HG1      THR  19   5.273  -4.760   3.472
  161   1HG2  THR  19          HG21      THR  19   5.587  -1.037   3.133
  162   2HG2  THR  19          HG22      THR  19   5.678  -2.425   2.048
  163   3HG2  THR  19          HG23      THR  19   7.070  -1.987   3.038
  164    H    GLU  20           HN       GLU  20   7.583  -4.362   5.931
  165    HA   GLU  20           HA       GLU  20  10.020  -2.617   5.854
  166   1HB   GLU  20          HB2       GLU  20   9.127  -4.105   7.887
  167   2HB   GLU  20          HB1       GLU  20   9.981  -5.377   7.012
  168   1HG   GLU  20          HG2       GLU  20  12.041  -4.055   7.037
  169   2HG   GLU  20          HG1       GLU  20  11.200  -2.725   7.835
  170    H    ALA  21           HN       ALA  21  10.215  -2.814   3.507
  171    HA   ALA  21           HA       ALA  21  11.122  -5.534   2.614
  172   1HB   ALA  21          HB1       ALA  21  10.256  -4.320   0.339
  173   2HB   ALA  21          HB2       ALA  21   9.196  -3.555   1.523
  174   3HB   ALA  21          HB3       ALA  21   9.213  -5.311   1.359
  175    H    VAL  22           HN       VAL  22  12.247  -4.965   0.239
  176    HA   VAL  22           HA       VAL  22  14.379  -2.961   0.892
  177    HB   VAL  22           HB       VAL  22  15.068  -5.327   0.802
  178   1HG1  VAL  22          HG11      VAL  22  13.819  -5.195  -1.949
  179   2HG1  VAL  22          HG12      VAL  22  13.435  -6.309  -0.637
  180   3HG1  VAL  22          HG13      VAL  22  14.972  -6.448  -1.492
  181   1HG2  VAL  22          HG21      VAL  22  15.983  -3.572  -1.489
  182   2HG2  VAL  22          HG22      VAL  22  16.768  -5.098  -1.083
  183   3HG2  VAL  22          HG23      VAL  22  16.751  -3.777   0.085
  184    H    ASP  23           HN       ASP  23  12.011  -3.983  -1.487
  185    HA   ASP  23           HA       ASP  23  12.259  -1.454  -2.934
  186   1HB   ASP  23          HB2       ASP  23  14.075  -3.321  -3.629
  187   2HB   ASP  23          HB1       ASP  23  12.735  -3.842  -4.652
  188    H    ALA  24           HN       ALA  24  10.728  -1.589  -4.954
  189    HA   ALA  24           HA       ALA  24   8.107  -2.245  -4.185
  190   1HB   ALA  24          HB1       ALA  24   9.346  -0.989  -6.270
  191   2HB   ALA  24          HB2       ALA  24   7.622  -1.362  -6.238
  192   3HB   ALA  24          HB3       ALA  24   8.743  -2.441  -7.069
  193    H    ALA  25           HN       ALA  25  10.598  -4.327  -5.494
  194    HA   ALA  25           HA       ALA  25   9.079  -6.441  -6.622
  195   1HB   ALA  25          HB1       ALA  25  11.505  -6.279  -6.776
  196   2HB   ALA  25          HB2       ALA  25  11.104  -7.796  -5.973
  197   3HB   ALA  25          HB3       ALA  25  11.662  -6.417  -5.025
  198    H    THR  26           HN       THR  26  10.033  -5.870  -3.230
  199    HA   THR  26           HA       THR  26   8.525  -8.235  -2.298
  200    HB   THR  26           HB       THR  26  10.027  -6.028  -0.845
  201    HG1  THR  26           HG1      THR  26  11.746  -7.331  -0.986
  202   1HG2  THR  26          HG21      THR  26   8.313  -7.369   0.474
  203   2HG2  THR  26          HG22      THR  26   9.968  -7.450   1.080
  204   3HG2  THR  26          HG23      THR  26   9.303  -8.792   0.148
  205    H    ALA  27           HN       ALA  27   8.272  -4.706  -2.337
  206    HA   ALA  27           HA       ALA  27   6.046  -4.408  -0.551
  207   1HB   ALA  27          HB1       ALA  27   5.998  -2.198  -1.412
  208   2HB   ALA  27          HB2       ALA  27   6.571  -2.714  -2.998
  209   3HB   ALA  27          HB3       ALA  27   7.679  -2.691  -1.625
  210    H    GLU  28           HN       GLU  28   3.900  -3.402  -1.651
  211    HA   GLU  28           HA       GLU  28   1.936  -3.795  -2.909
  212   1HB   GLU  28          HB2       GLU  28   3.912  -3.712  -4.704
  213   2HB   GLU  28          HB1       GLU  28   3.507  -5.420  -4.882
  214   1HG   GLU  28          HG2       GLU  28   1.415  -4.976  -5.744
  215   2HG   GLU  28          HG1       GLU  28   1.249  -3.468  -4.845
  216    H    LYS  29           HN       LYS  29   3.915  -6.784  -3.342
  217    HA   LYS  29           HA       LYS  29   1.792  -8.642  -3.193
  218   1HB   LYS  29          HB2       LYS  29   4.680  -8.793  -2.271
  219   2HB   LYS  29          HB1       LYS  29   3.633 -10.201  -2.441
  220   1HG   LYS  29          HG2       LYS  29   4.135 -10.295  -4.633
  221   2HG   LYS  29          HG1       LYS  29   3.404  -8.707  -4.859
  222   1HD   LYS  29          HD2       LYS  29   5.672  -7.794  -3.952
  223   2HD   LYS  29          HD1       LYS  29   6.291  -9.398  -4.350
  224   1HE   LYS  29          HE2       LYS  29   4.653  -8.070  -6.456
  225   2HE   LYS  29          HE1       LYS  29   6.266  -7.393  -6.157
  226   1HZ   LYS  29          HZ1       LYS  29   7.242  -9.539  -6.397
  227   2HZ   LYS  29          HZ2       LYS  29   6.252  -9.283  -7.754
  228   3HZ   LYS  29          HZ3       LYS  29   5.726 -10.293  -6.493
  229    H    VAL  30           HN       VAL  30   3.573  -7.037  -0.587
  230    HA   VAL  30           HA       VAL  30   2.270  -8.585   1.545
  231    HB   VAL  30           HB       VAL  30   4.022  -6.101   1.480
  232   1HG1  VAL  30          HG11      VAL  30   2.880  -6.024   3.569
  233   2HG1  VAL  30          HG12      VAL  30   4.433  -6.786   3.922
  234   3HG1  VAL  30          HG13      VAL  30   2.979  -7.774   3.774
  235   1HG2  VAL  30          HG21      VAL  30   5.411  -7.820   0.764
  236   2HG2  VAL  30          HG22      VAL  30   4.513  -9.053   1.650
  237   3HG2  VAL  30          HG23      VAL  30   5.603  -7.965   2.511
  238    H    PHE  31           HN       PHE  31   2.173  -5.183   0.411
  239    HA   PHE  31           HA       PHE  31   0.071  -4.319   2.153
  240   1HB   PHE  31          HB2       PHE  31   1.328  -3.427  -0.418
  241   2HB   PHE  31          HB1       PHE  31  -0.173  -2.650   0.080
  242    HD1  PHE  31           HD1      PHE  31   0.010  -2.499   2.981
  243    HD2  PHE  31           HD2      PHE  31   3.089  -1.970   0.034
  244    HE1  PHE  31           HE1      PHE  31   1.276  -1.070   4.562
  245    HE2  PHE  31           HE2      PHE  31   4.355  -0.544   1.616
  246    HZ   PHE  31           HZ       PHE  31   3.451  -0.094   3.879
  247    H    LYS  32           HN       LYS  32   0.044  -5.894  -1.015
  248    HA   LYS  32           HA       LYS  32  -2.724  -5.513  -1.638
  249   1HB   LYS  32          HB2       LYS  32  -0.556  -7.461  -2.388
  250   2HB   LYS  32          HB1       LYS  32  -2.204  -7.750  -2.937
  251   1HG   LYS  32          HG2       LYS  32  -1.766  -5.025  -3.453
  252   2HG   LYS  32          HG1       LYS  32  -0.256  -5.811  -3.911
  253   1HD   LYS  32          HD2       LYS  32  -1.442  -6.062  -5.881
  254   2HD   LYS  32          HD1       LYS  32  -1.913  -7.549  -5.057
  255   1HE   LYS  32          HE2       LYS  32  -4.041  -6.717  -4.495
  256   2HE   LYS  32          HE1       LYS  32  -3.531  -5.027  -4.686
  257   1HZ   LYS  32          HZ1       LYS  32  -4.765  -5.691  -6.626
  258   2HZ   LYS  32          HZ2       LYS  32  -3.778  -7.057  -6.844
  259   3HZ   LYS  32          HZ3       LYS  32  -3.136  -5.498  -7.056
  260    H    GLN  33           HN       GLN  33  -0.985  -8.059   0.144
  261    HA   GLN  33           HA       GLN  33  -3.182  -9.817   0.623
  262   1HB   GLN  33          HB2       GLN  33  -0.770 -10.320   0.973
  263   2HB   GLN  33          HB1       GLN  33  -0.753  -9.197   2.334
  264   1HG   GLN  33          HG2       GLN  33  -1.030 -11.445   3.206
  265   2HG   GLN  33          HG1       GLN  33  -2.552 -10.578   3.414
  266   1HE2  GLN  33          HE21      GLN  33  -4.402 -11.437   2.383
  267   2HE2  GLN  33          HE22      GLN  33  -4.367 -12.770   1.333
  268    H    TYR  34           HN       TYR  34  -2.128  -6.892   2.189
  269    HA   TYR  34           HA       TYR  34  -3.834  -7.078   4.530
  270   1HB   TYR  34          HB2       TYR  34  -1.987  -5.669   4.786
  271   2HB   TYR  34          HB1       TYR  34  -2.089  -5.063   3.138
  272    HD1  TYR  34           HD1      TYR  34  -3.325  -3.082   2.626
  273    HD2  TYR  34           HD2      TYR  34  -3.587  -4.850   6.525
  274    HE1  TYR  34           HE1      TYR  34  -4.506  -1.066   3.451
  275    HE2  TYR  34           HE2      TYR  34  -4.773  -2.833   7.361
  276    HH   TYR  34           HH       TYR  34  -6.242  -0.670   5.508
  277    H    ALA  35           HN       ALA  35  -4.017  -5.073   1.564
  278    HA   ALA  35           HA       ALA  35  -6.680  -4.098   2.026
  279   1HB   ALA  35          HB1       ALA  35  -5.519  -2.836   0.480
  280   2HB   ALA  35          HB2       ALA  35  -6.364  -3.900  -0.644
  281   3HB   ALA  35          HB3       ALA  35  -4.693  -4.244  -0.194
  282    H    ASN  36           HN       ASN  36  -5.462  -6.756  -0.037
  283    HA   ASN  36           HA       ASN  36  -7.899  -7.621  -1.147
  284   1HB   ASN  36          HB2       ASN  36  -5.523  -8.330  -1.676
  285   2HB   ASN  36          HB1       ASN  36  -5.591  -9.367  -0.251
  286   1HD2  ASN  36          HD21      ASN  36  -5.444 -11.315  -1.612
  287   2HD2  ASN  36          HD22      ASN  36  -6.773 -11.835  -2.531
  288    H    ASP  37           HN       ASP  37  -6.577  -8.136   2.064
  289    HA   ASP  37           HA       ASP  37  -8.478 -10.248   2.794
  290   1HB   ASP  37          HB2       ASP  37  -6.136  -9.960   3.678
  291   2HB   ASP  37          HB1       ASP  37  -6.681  -8.501   4.506
  292    H    ASN  38           HN       ASN  38  -8.108  -6.757   3.386
  293    HA   ASN  38           HA       ASN  38 -10.480  -6.580   5.092
  294   1HB   ASN  38          HB2       ASN  38  -8.724  -4.541   3.686
  295   2HB   ASN  38          HB1       ASN  38  -9.967  -4.132   4.869
  296   1HD2  ASN  38          HD21      ASN  38  -6.729  -4.377   4.729
  297   2HD2  ASN  38          HD22      ASN  38  -6.388  -4.987   6.276
  298    H    GLY  39           HN       GLY  39  -9.664  -5.582   1.753
  299   1HA   GLY  39          HA2       GLY  39 -11.493  -6.118   0.064
  300   2HA   GLY  39          HA1       GLY  39 -12.596  -5.351   1.206
  301    H    ILE  40           HN       ILE  40  -9.449  -4.537  -0.313
  302    HA   ILE  40           HA       ILE  40 -10.590  -1.829  -0.925
  303    HB   ILE  40           HB       ILE  40  -7.810  -2.667  -0.037
  304   1HG1  ILE  40          HG12      ILE  40  -9.881  -0.868   1.260
  305   2HG1  ILE  40          HG11      ILE  40  -9.591  -2.548   1.713
  306   1HG2  ILE  40          HG21      ILE  40  -8.870  -0.104  -1.191
  307   2HG2  ILE  40          HG22      ILE  40  -7.300  -0.870  -1.444
  308   3HG2  ILE  40          HG23      ILE  40  -7.636  -0.021   0.066
  309   1HD1  ILE  40          HD11      ILE  40  -7.515  -0.339   1.805
  310   2HD1  ILE  40          HD12      ILE  40  -7.273  -2.011   2.312
  311   3HD1  ILE  40          HD13      ILE  40  -8.387  -0.971   3.202
  312    H    ASP  41           HN       ASP  41 -11.118  -3.260  -2.969
  313    HA   ASP  41           HA       ASP  41  -8.812  -3.661  -4.785
  314   1HB   ASP  41          HB2       ASP  41 -11.683  -4.397  -4.587
  315   2HB   ASP  41          HB1       ASP  41 -11.071  -4.171  -6.226
  316    H    GLY  42           HN       GLY  42  -8.890  -1.023  -4.158
  317   1HA   GLY  42          HA2       GLY  42 -10.596   0.502  -5.976
  318   2HA   GLY  42          HA1       GLY  42  -9.352   1.156  -4.908
  319    H    GLU  43           HN       GLU  43  -8.168   2.362  -6.320
  320    HA   GLU  43           HA       GLU  43  -7.034   0.983  -8.683
  321   1HB   GLU  43          HB2       GLU  43  -6.861   3.268  -9.656
  322   2HB   GLU  43          HB1       GLU  43  -8.521   2.861  -9.230
  323   1HG   GLU  43          HG2       GLU  43  -7.357   4.030  -6.912
  324   2HG   GLU  43          HG1       GLU  43  -6.892   5.044  -8.274
  325    H    TRP  44           HN       TRP  44  -5.123   0.210  -7.863
  326    HA   TRP  44           HA       TRP  44  -3.539   1.560  -5.912
  327   1HB   TRP  44          HB2       TRP  44  -3.141  -0.750  -7.796
  328   2HB   TRP  44          HB1       TRP  44  -1.855  -0.220  -6.704
  329    HD1  TRP  44           HD1      TRP  44  -5.604  -1.153  -6.502
  330    HE1  TRP  44           HE1      TRP  44  -6.019  -2.287  -4.222
  331    HE3  TRP  44           HE3      TRP  44  -0.929  -0.805  -4.472
  332    HZ2  TRP  44           HZ2      TRP  44  -4.568  -2.933  -1.853
  333    HZ3  TRP  44           HZ3      TRP  44  -0.474  -1.691  -2.203
  334    HH2  TRP  44           HH2      TRP  44  -2.287  -2.761  -0.892
  335    H    THR  45           HN       THR  45  -1.719   2.764  -6.099
  336    HA   THR  45           HA       THR  45  -0.460   3.301  -8.707
  337    HB   THR  45           HB       THR  45  -0.829   5.807  -8.257
  338    HG1  THR  45           HG1      THR  45  -2.803   6.136  -7.026
  339   1HG2  THR  45          HG21      THR  45  -2.659   5.796  -9.662
  340   2HG2  THR  45          HG22      THR  45  -3.477   4.521  -8.759
  341   3HG2  THR  45          HG23      THR  45  -2.147   4.118  -9.845
  342    H    TYR  46           HN       TYR  46   1.695   3.545  -8.304
  343    HA   TYR  46           HA       TYR  46   2.548   3.926  -5.471
  344   1HB   TYR  46          HB2       TYR  46   3.366   1.908  -6.422
  345   2HB   TYR  46          HB1       TYR  46   3.695   2.666  -7.973
  346    HD1  TYR  46           HD1      TYR  46   5.004   1.911  -4.651
  347    HD2  TYR  46           HD2      TYR  46   5.638   4.230  -8.210
  348    HE1  TYR  46           HE1      TYR  46   7.344   2.296  -3.979
  349    HE2  TYR  46           HE2      TYR  46   7.990   4.620  -7.534
  350    HH   TYR  46           HH       TYR  46   9.599   2.862  -5.403
  351    H    ASP  47           HN       ASP  47   4.040   5.570  -4.945
  352    HA   ASP  47           HA       ASP  47   4.542   7.628  -7.071
  353   1HB   ASP  47          HB2       ASP  47   3.617   7.688  -4.240
  354   2HB   ASP  47          HB1       ASP  47   4.699   8.989  -4.739
  355    H    ASP  48           HN       ASP  48   6.682   7.615  -7.613
  356    HA   ASP  48           HA       ASP  48   8.745   6.393  -5.988
  357   1HB   ASP  48          HB2       ASP  48   8.549   6.730  -8.547
  358   2HB   ASP  48          HB1       ASP  48   9.149   8.361  -8.244
  359    H    ALA  49           HN       ALA  49   7.398   9.613  -6.141
  360    HA   ALA  49           HA       ALA  49   9.513  11.246  -5.295
  361   1HB   ALA  49          HB1       ALA  49   6.695  11.440  -4.229
  362   2HB   ALA  49          HB2       ALA  49   7.060  11.757  -5.925
  363   3HB   ALA  49          HB3       ALA  49   7.788  12.753  -4.665
  364    H    THR  50           HN       THR  50   7.371   9.191  -3.322
  365    HA   THR  50           HA       THR  50   9.369   9.317  -1.111
  366    HB   THR  50           HB       THR  50   7.507   9.809   0.469
  367    HG1  THR  50           HG1      THR  50   5.836   8.965  -0.826
  368   1HG2  THR  50          HG21      THR  50   7.612  11.816  -1.797
  369   2HG2  THR  50          HG22      THR  50   8.888  11.630  -0.593
  370   3HG2  THR  50          HG23      THR  50   7.276  12.147  -0.097
  371    H    LYS  51           HN       LYS  51   8.012   7.293  -3.144
  372    HA   LYS  51           HA       LYS  51   7.332   5.034  -3.106
  373   1HB   LYS  51          HB2       LYS  51   9.403   5.562  -1.148
  374   2HB   LYS  51          HB1       LYS  51   8.374   4.245  -0.588
  375   1HG   LYS  51          HG2       LYS  51   9.783   3.002  -1.899
  376   2HG   LYS  51          HG1       LYS  51   8.658   3.503  -3.165
  377   1HD   LYS  51          HD2       LYS  51  10.892   3.962  -3.960
  378   2HD   LYS  51          HD1       LYS  51  10.144   5.510  -3.562
  379   1HE   LYS  51          HE2       LYS  51  11.561   5.886  -1.793
  380   2HE   LYS  51          HE1       LYS  51  11.623   4.168  -1.351
  381   1HZ   LYS  51          HZ1       LYS  51  12.919   3.760  -3.376
  382   2HZ   LYS  51          HZ2       LYS  51  13.718   4.827  -2.323
  383   3HZ   LYS  51          HZ3       LYS  51  12.932   5.424  -3.706
  384    H    THR  52           HN       THR  52   5.037   5.360  -2.858
  385    HA   THR  52           HA       THR  52   3.980   4.408  -0.278
  386    HB   THR  52           HB       THR  52   3.270   7.140  -1.393
  387    HG1  THR  52           HG1      THR  52   4.677   6.442   0.965
  388   1HG2  THR  52          HG21      THR  52   1.538   5.698  -0.078
  389   2HG2  THR  52          HG22      THR  52   1.788   7.374   0.410
  390   3HG2  THR  52          HG23      THR  52   2.544   6.068   1.323
  391    H    PHE  53           HN       PHE  53   2.827   2.737  -1.238
  392    HA   PHE  53           HA       PHE  53   1.471   2.838  -3.765
  393   1HB   PHE  53          HB2       PHE  53   1.100   1.169  -1.252
  394   2HB   PHE  53          HB1       PHE  53   0.295   0.812  -2.780
  395    HD1  PHE  53           HD1      PHE  53   1.548   0.004  -4.713
  396    HD2  PHE  53           HD2      PHE  53   3.531   0.905  -1.011
  397    HE1  PHE  53           HE1      PHE  53   3.573  -1.189  -5.505
  398    HE2  PHE  53           HE2      PHE  53   5.554  -0.285  -1.802
  399    HZ   PHE  53           HZ       PHE  53   5.576  -1.332  -4.051
  400    H    THR  54           HN       THR  54  -0.648   3.537  -4.268
  401    HA   THR  54           HA       THR  54  -2.278   4.569  -1.955
  402    HB   THR  54           HB       THR  54  -1.895   5.861  -4.666
  403    HG1  THR  54           HG1      THR  54  -0.107   6.557  -3.869
  404   1HG2  THR  54          HG21      THR  54  -2.826   7.239  -2.174
  405   2HG2  THR  54          HG22      THR  54  -3.974   6.269  -3.097
  406   3HG2  THR  54          HG23      THR  54  -3.160   7.635  -3.860
  407    H    VAL  55           HN       VAL  55  -3.966   3.032  -1.967
  408    HA   VAL  55           HA       VAL  55  -5.374   2.549  -4.522
  409    HB   VAL  55           HB       VAL  55  -4.627   0.572  -3.159
  410   1HG1  VAL  55          HG11      VAL  55  -6.741   1.441  -1.202
  411   2HG1  VAL  55          HG12      VAL  55  -5.023   1.748  -0.939
  412   3HG1  VAL  55          HG13      VAL  55  -5.615   0.086  -1.040
  413   1HG2  VAL  55          HG21      VAL  55  -6.701  -0.642  -3.331
  414   2HG2  VAL  55          HG22      VAL  55  -6.644   0.516  -4.660
  415   3HG2  VAL  55          HG23      VAL  55  -7.633   0.850  -3.239
  416    H    THR  56           HN       THR  56  -7.830   2.509  -4.284
  417    HA   THR  56           HA       THR  56  -9.015   4.111  -2.129
  418    HB   THR  56           HB       THR  56  -8.756   5.083  -4.989
  419    HG1  THR  56           HG1      THR  56  -7.254   6.368  -4.237
  420   1HG2  THR  56          HG21      THR  56  -9.771   6.963  -2.980
  421   2HG2  THR  56          HG22      THR  56 -10.849   5.592  -3.239
  422   3HG2  THR  56          HG23      THR  56 -10.381   6.615  -4.597
  423    H    GLU  57           HN       GLU  57 -10.853   2.897  -1.800
  424    HA   GLU  57           HA       GLU  57 -12.182   1.547  -4.088
  425   1HB   GLU  57          HB2       GLU  57 -11.564   0.670  -1.656
  426   2HB   GLU  57          HB1       GLU  57 -13.102   1.425  -1.236
  427   1HG   GLU  57          HG2       GLU  57 -13.915   0.118  -3.419
  428   2HG   GLU  57          HG1       GLU  57 -12.564  -0.932  -2.990
  Start of MODEL   21
    1   1H    MET   1          HT1       MET   1  16.847  -0.588   4.689
    2   2H    MET   1          HT2       MET   1  17.885  -0.675   3.347
    3   3H    MET   1          HT3       MET   1  17.775  -1.983   4.426
    4    HA   MET   1           HA       MET   1  16.542  -2.375   2.328
    5   1HB   MET   1          HB2       MET   1  15.393  -2.283   5.098
    6   2HB   MET   1          HB1       MET   1  14.355  -2.810   3.771
    7   1HG   MET   1          HG2       MET   1  17.110  -3.971   4.217
    8   2HG   MET   1          HG1       MET   1  15.669  -4.650   4.975
    9   1HE   MET   1          HE1       MET   1  18.022  -5.262   2.785
   10   2HE   MET   1          HE2       MET   1  17.606  -4.149   1.485
   11   3HE   MET   1          HE3       MET   1  17.406  -5.883   1.247
   12    H    THR   2           HN       THR   2  13.905  -1.998   1.936
   13    HA   THR   2           HA       THR   2  13.615   0.968   1.578
   14    HB   THR   2           HB       THR   2  12.520  -1.346  -0.055
   15    HG1  THR   2           HG1      THR   2  14.231  -1.107  -1.293
   16   1HG2  THR   2          HG21      THR   2  11.144   0.692  -0.167
   17   2HG2  THR   2          HG22      THR   2  11.981   0.411  -1.696
   18   3HG2  THR   2          HG23      THR   2  12.577   1.637  -0.576
   19    H    THR   3           HN       THR   3  12.148   1.683   3.086
   20    HA   THR   3           HA       THR   3   9.982  -0.058   4.016
   21    HB   THR   3           HB       THR   3  10.636   2.781   4.816
   22    HG1  THR   3           HG1      THR   3  12.157   1.986   6.141
   23   1HG2  THR   3          HG21      THR   3   8.521   1.332   5.546
   24   2HG2  THR   3          HG22      THR   3   9.357   2.377   6.694
   25   3HG2  THR   3          HG23      THR   3   9.688   0.645   6.675
   26    H    PHE   4           HN       PHE   4   8.335  -0.103   2.467
   27    HA   PHE   4           HA       PHE   4   7.524   2.338   1.032
   28   1HB   PHE   4          HB2       PHE   4   6.589  -0.539   1.146
   29   2HB   PHE   4          HB1       PHE   4   5.792   0.673   0.149
   30    HD1  PHE   4           HD1      PHE   4   6.997   1.733  -1.741
   31    HD2  PHE   4           HD2      PHE   4   8.757  -1.415   0.592
   32    HE1  PHE   4           HE1      PHE   4   8.702   1.378  -3.506
   33    HE2  PHE   4           HE2      PHE   4  10.463  -1.768  -1.171
   34    HZ   PHE   4           HZ       PHE   4  10.434  -0.373  -3.220
   35    H    LYS   5           HN       LYS   5   5.096   2.862   1.041
   36    HA   LYS   5           HA       LYS   5   3.814   2.393   3.702
   37   1HB   LYS   5          HB2       LYS   5   5.203   4.571   3.441
   38   2HB   LYS   5          HB1       LYS   5   3.907   5.102   2.368
   39   1HG   LYS   5          HG2       LYS   5   2.295   4.485   4.267
   40   2HG   LYS   5          HG1       LYS   5   3.722   4.387   5.299
   41   1HD   LYS   5          HD2       LYS   5   3.252   6.825   3.598
   42   2HD   LYS   5          HD1       LYS   5   2.436   6.656   5.152
   43   1HE   LYS   5          HE2       LYS   5   4.351   7.616   5.976
   44   2HE   LYS   5          HE1       LYS   5   5.019   5.979   5.820
   45   1HZ   LYS   5          HZ1       LYS   5   6.416   7.492   4.611
   46   2HZ   LYS   5          HZ2       LYS   5   5.085   8.129   3.769
   47   3HZ   LYS   5          HZ3       LYS   5   5.580   6.528   3.493
   48    H    LEU   6           HN       LEU   6   1.527   2.342   3.578
   49    HA   LEU   6           HA       LEU   6   0.355   2.665   0.832
   50   1HB   LEU   6          HB2       LEU   6   0.557   0.316   1.508
   51   2HB   LEU   6          HB1       LEU   6  -0.246   0.662   3.038
   52    HG   LEU   6           HG       LEU   6  -2.235   1.484   1.599
   53   1HD1  LEU   6          HD11      LEU   6  -2.378   0.690  -0.653
   54   2HD1  LEU   6          HD12      LEU   6  -0.906  -0.268  -0.473
   55   3HD1  LEU   6          HD13      LEU   6  -0.814   1.492  -0.511
   56   1HD2  LEU   6          HD21      LEU   6  -2.604  -0.502   2.785
   57   2HD2  LEU   6          HD22      LEU   6  -1.335  -1.368   1.916
   58   3HD2  LEU   6          HD23      LEU   6  -2.862  -1.005   1.113
   59    H    ILE   7           HN       ILE   7  -1.447   3.962   0.714
   60    HA   ILE   7           HA       ILE   7  -2.405   5.272   3.182
   61    HB   ILE   7           HB       ILE   7  -1.909   6.245   0.752
   62   1HG1  ILE   7          HG12      ILE   7  -3.812   7.939   1.196
   63   2HG1  ILE   7          HG11      ILE   7  -4.152   6.964   2.627
   64   1HG2  ILE   7          HG21      ILE   7  -3.702   6.295  -0.770
   65   2HG2  ILE   7          HG22      ILE   7  -4.860   5.732   0.432
   66   3HG2  ILE   7          HG23      ILE   7  -3.668   4.618  -0.232
   67   1HD1  ILE   7          HD11      ILE   7  -1.331   7.839   2.085
   68   2HD1  ILE   7          HD12      ILE   7  -2.110   7.477   3.625
   69   3HD1  ILE   7          HD13      ILE   7  -2.470   8.987   2.790
   70    H    ILE   8           HN       ILE   8  -4.731   5.161   3.760
   71    HA   ILE   8           HA       ILE   8  -6.025   2.652   2.744
   72    HB   ILE   8           HB       ILE   8  -6.085   3.932   5.494
   73   1HG1  ILE   8          HG12      ILE   8  -3.905   2.900   4.943
   74   2HG1  ILE   8          HG11      ILE   8  -4.748   1.966   6.175
   75   1HG2  ILE   8          HG21      ILE   8  -7.411   2.106   6.215
   76   2HG2  ILE   8          HG22      ILE   8  -7.110   1.192   4.739
   77   3HG2  ILE   8          HG23      ILE   8  -8.149   2.614   4.698
   78   1HD1  ILE   8          HD11      ILE   8  -3.814   0.445   4.517
   79   2HD1  ILE   8          HD12      ILE   8  -4.607   1.328   3.213
   80   3HD1  ILE   8          HD13      ILE   8  -5.572   0.429   4.384
   81    H    ASN   9           HN       ASN   9  -6.976   4.258   1.121
   82    HA   ASN   9           HA       ASN   9  -9.105   6.001   2.256
   83   1HB   ASN   9          HB2       ASN   9  -7.514   5.765  -0.228
   84   2HB   ASN   9          HB1       ASN   9  -9.198   6.212  -0.487
   85   1HD2  ASN   9          HD21      ASN   9  -7.266   8.129  -1.089
   86   2HD2  ASN   9          HD22      ASN   9  -7.290   9.368   0.071
   87    H    GLY  10           HN       GLY  10  -9.563   3.317   2.710
   88   1HA   GLY  10          HA2       GLY  10 -11.591   2.547   0.653
   89   2HA   GLY  10          HA1       GLY  10 -10.748   1.394   1.695
   90    H    LYS  11           HN       LYS  11 -13.642   1.769   1.440
   91    HA   LYS  11           HA       LYS  11 -14.675   3.192   3.735
   92   1HB   LYS  11          HB2       LYS  11 -15.850   2.432   1.592
   93   2HB   LYS  11          HB1       LYS  11 -15.909   0.824   2.314
   94   1HG   LYS  11          HG2       LYS  11 -16.910   2.135   4.383
   95   2HG   LYS  11          HG1       LYS  11 -17.325   3.328   3.152
   96   1HD   LYS  11          HD2       LYS  11 -18.693   1.810   1.968
   97   2HD   LYS  11          HD1       LYS  11 -17.984   0.410   2.775
   98   1HE   LYS  11          HE2       LYS  11 -19.206   0.752   4.739
   99   2HE   LYS  11          HE1       LYS  11 -19.420   2.485   4.419
  100   1HZ   LYS  11          HZ1       LYS  11 -20.782   1.908   2.491
  101   2HZ   LYS  11          HZ2       LYS  11 -21.455   1.292   3.924
  102   3HZ   LYS  11          HZ3       LYS  11 -20.625   0.260   2.859
  103    H    THR  12           HN       THR  12 -12.923   0.244   3.480
  104    HA   THR  12           HA       THR  12 -14.168  -1.046   5.817
  105    HB   THR  12           HB       THR  12 -11.675  -1.709   4.217
  106    HG1  THR  12           HG1      THR  12 -12.960  -2.546   2.775
  107   1HG2  THR  12          HG21      THR  12 -13.317  -3.127   6.283
  108   2HG2  THR  12          HG22      THR  12 -11.565  -3.084   6.084
  109   3HG2  THR  12          HG23      THR  12 -12.551  -4.074   5.008
  110    H    LEU  13           HN       LEU  13 -11.153   0.685   4.997
  111    HA   LEU  13           HA       LEU  13 -10.634   0.972   7.937
  112   1HB   LEU  13          HB2       LEU  13  -8.835  -0.074   5.749
  113   2HB   LEU  13          HB1       LEU  13  -8.167   0.594   7.238
  114    HG   LEU  13           HG       LEU  13 -10.331  -1.485   7.386
  115   1HD1  LEU  13          HD11      LEU  13  -8.827  -3.269   7.142
  116   2HD1  LEU  13          HD12      LEU  13  -7.416  -2.236   7.368
  117   3HD1  LEU  13          HD13      LEU  13  -8.325  -2.169   5.858
  118   1HD2  LEU  13          HD21      LEU  13  -7.955  -1.302   9.190
  119   2HD2  LEU  13          HD22      LEU  13  -9.629  -1.700   9.578
  120   3HD2  LEU  13          HD23      LEU  13  -9.164  -0.022   9.300
  121    H    LYS  14           HN       LYS  14  -8.828   2.672   8.266
  122    HA   LYS  14           HA       LYS  14  -8.648   4.719   6.128
  123   1HB   LYS  14          HB2       LYS  14 -10.453   4.772   8.436
  124   2HB   LYS  14          HB1       LYS  14  -9.403   6.187   8.384
  125   1HG   LYS  14          HG2       LYS  14 -10.189   6.842   6.257
  126   2HG   LYS  14          HG1       LYS  14 -10.862   5.247   5.918
  127   1HD   LYS  14          HD2       LYS  14 -12.699   6.728   6.455
  128   2HD   LYS  14          HD1       LYS  14 -12.487   5.614   7.807
  129   1HE   LYS  14          HE2       LYS  14 -12.669   7.713   8.880
  130   2HE   LYS  14          HE1       LYS  14 -10.912   7.493   8.761
  131   1HZ   LYS  14          HZ1       LYS  14 -11.452   9.636   7.875
  132   2HZ   LYS  14          HZ2       LYS  14 -12.656   8.981   6.872
  133   3HZ   LYS  14          HZ3       LYS  14 -11.020   8.630   6.579
  134    H    GLY  15           HN       GLY  15  -6.688   5.784   6.266
  135   1HA   GLY  15          HA2       GLY  15  -5.068   6.889   7.903
  136   2HA   GLY  15          HA1       GLY  15  -5.064   5.336   8.739
  137    H    GLU  16           HN       GLU  16  -2.866   4.869   8.390
  138    HA   GLU  16           HA       GLU  16  -2.188   4.045   5.610
  139   1HB   GLU  16          HB2       GLU  16  -0.036   5.276   5.788
  140   2HB   GLU  16          HB1       GLU  16  -1.417   6.367   5.894
  141   1HG   GLU  16          HG2       GLU  16  -1.097   5.781   8.521
  142   2HG   GLU  16          HG1       GLU  16   0.571   5.622   7.973
  143    H    THR  17           HN       THR  17   0.146   2.964   5.748
  144    HA   THR  17           HA       THR  17   0.762   1.679   8.325
  145    HB   THR  17           HB       THR  17  -0.292   0.103   5.952
  146    HG1  THR  17           HG1      THR  17  -1.416   0.570   8.513
  147   1HG2  THR  17          HG21      THR  17  -0.062  -1.840   7.343
  148   2HG2  THR  17          HG22      THR  17   0.348  -0.858   8.749
  149   3HG2  THR  17          HG23      THR  17   1.481  -0.987   7.403
  150    H    THR  18           HN       THR  18   2.811   0.570   8.239
  151    HA   THR  18           HA       THR  18   4.361   0.978   5.698
  152    HB   THR  18           HB       THR  18   6.289   1.319   7.366
  153    HG1  THR  18           HG1      THR  18   5.756   0.983   9.351
  154   1HG2  THR  18          HG21      THR  18   3.975   3.154   6.902
  155   2HG2  THR  18          HG22      THR  18   5.649   3.303   6.366
  156   3HG2  THR  18          HG23      THR  18   5.224   3.658   8.040
  157    H    THR  19           HN       THR  19   6.227  -0.546   5.498
  158    HA   THR  19           HA       THR  19   6.096  -3.017   7.136
  159    HB   THR  19           HB       THR  19   4.424  -3.297   5.345
  160    HG1  THR  19           HG1      THR  19   5.105  -5.258   5.209
  161   1HG2  THR  19          HG21      THR  19   6.756  -2.738   3.488
  162   2HG2  THR  19          HG22      THR  19   5.346  -1.707   3.724
  163   3HG2  THR  19          HG23      THR  19   5.163  -3.292   2.974
  164    H    GLU  20           HN       GLU  20   7.773  -4.636   5.777
  165    HA   GLU  20           HA       GLU  20  10.217  -2.979   5.245
  166   1HB   GLU  20          HB2       GLU  20  11.464  -4.812   6.384
  167   2HB   GLU  20          HB1       GLU  20  10.288  -4.045   7.448
  168   1HG   GLU  20          HG2       GLU  20   8.951  -6.179   6.090
  169   2HG   GLU  20          HG1       GLU  20  10.479  -6.811   6.697
  170    H    ALA  21           HN       ALA  21  10.173  -3.133   2.984
  171    HA   ALA  21           HA       ALA  21  10.419  -5.898   1.846
  172   1HB   ALA  21          HB1       ALA  21   9.341  -3.693   0.169
  173   2HB   ALA  21          HB2       ALA  21   8.307  -4.218   1.499
  174   3HB   ALA  21          HB3       ALA  21   8.825  -5.377   0.274
  175    H    VAL  22           HN       VAL  22  11.971  -6.095   0.163
  176    HA   VAL  22           HA       VAL  22  14.241  -4.355   0.259
  177    HB   VAL  22           HB       VAL  22  14.265  -6.748  -0.385
  178   1HG1  VAL  22          HG11      VAL  22  12.074  -6.407  -1.787
  179   2HG1  VAL  22          HG12      VAL  22  13.269  -7.581  -2.334
  180   3HG1  VAL  22          HG13      VAL  22  13.186  -5.989  -3.089
  181   1HG2  VAL  22          HG21      VAL  22  15.622  -6.414  -2.569
  182   2HG2  VAL  22          HG22      VAL  22  16.191  -5.597  -1.114
  183   3HG2  VAL  22          HG23      VAL  22  15.298  -4.696  -2.339
  184    H    ASP  23           HN       ASP  23  11.463  -4.517  -1.942
  185    HA   ASP  23           HA       ASP  23  11.788  -1.745  -2.750
  186   1HB   ASP  23          HB2       ASP  23  13.541  -3.325  -3.974
  187   2HB   ASP  23          HB1       ASP  23  12.156  -3.684  -5.005
  188    H    ALA  24           HN       ALA  24  10.297  -1.533  -4.938
  189    HA   ALA  24           HA       ALA  24   7.633  -2.018  -4.205
  190   1HB   ALA  24          HB1       ALA  24   8.211  -0.398  -5.875
  191   2HB   ALA  24          HB2       ALA  24   7.237  -1.619  -6.695
  192   3HB   ALA  24          HB3       ALA  24   8.991  -1.621  -6.878
  193    H    ALA  25           HN       ALA  25   9.899  -4.163  -5.806
  194    HA   ALA  25           HA       ALA  25   8.093  -6.009  -7.018
  195   1HB   ALA  25          HB1       ALA  25  10.070  -7.563  -6.761
  196   2HB   ALA  25          HB2       ALA  25  10.839  -6.325  -5.767
  197   3HB   ALA  25          HB3       ALA  25  10.479  -5.997  -7.462
  198    H    THR  26           HN       THR  26   9.099  -5.596  -3.671
  199    HA   THR  26           HA       THR  26   7.513  -8.022  -2.897
  200    HB   THR  26           HB       THR  26   9.551  -6.536  -1.232
  201    HG1  THR  26           HG1      THR  26  11.017  -8.146  -2.064
  202   1HG2  THR  26          HG21      THR  26   9.775  -9.149  -0.603
  203   2HG2  THR  26          HG22      THR  26   8.089  -9.120  -1.121
  204   3HG2  THR  26          HG23      THR  26   8.627  -8.072   0.192
  205    H    ALA  27           HN       ALA  27   7.878  -4.556  -2.478
  206    HA   ALA  27           HA       ALA  27   6.387  -4.124  -0.096
  207   1HB   ALA  27          HB1       ALA  27   6.175  -2.308  -2.479
  208   2HB   ALA  27          HB2       ALA  27   7.756  -2.577  -1.745
  209   3HB   ALA  27          HB3       ALA  27   6.442  -1.895  -0.786
  210    H    GLU  28           HN       GLU  28   5.159  -3.753  -3.447
  211    HA   GLU  28           HA       GLU  28   2.394  -3.575  -2.789
  212   1HB   GLU  28          HB2       GLU  28   3.828  -3.259  -5.003
  213   2HB   GLU  28          HB1       GLU  28   3.347  -4.933  -5.292
  214   1HG   GLU  28          HG2       GLU  28   0.947  -4.089  -4.699
  215   2HG   GLU  28          HG1       GLU  28   1.608  -2.489  -5.042
  216    H    LYS  29           HN       LYS  29   4.465  -6.415  -3.307
  217    HA   LYS  29           HA       LYS  29   2.465  -8.430  -3.484
  218   1HB   LYS  29          HB2       LYS  29   5.047  -8.480  -3.743
  219   2HB   LYS  29          HB1       LYS  29   5.073  -8.739  -1.999
  220   1HG   LYS  29          HG2       LYS  29   3.816 -10.768  -2.188
  221   2HG   LYS  29          HG1       LYS  29   3.423 -10.443  -3.877
  222   1HD   LYS  29          HD2       LYS  29   6.297 -10.669  -3.017
  223   2HD   LYS  29          HD1       LYS  29   5.352 -12.124  -3.334
  224   1HE   LYS  29          HE2       LYS  29   4.724 -10.602  -5.531
  225   2HE   LYS  29          HE1       LYS  29   6.411 -10.132  -5.240
  226   1HZ   LYS  29          HZ1       LYS  29   6.458 -12.110  -6.531
  227   2HZ   LYS  29          HZ2       LYS  29   5.328 -12.882  -5.524
  228   3HZ   LYS  29          HZ3       LYS  29   6.893 -12.551  -4.953
  229    H    VAL  30           HN       VAL  30   3.897  -6.827  -0.664
  230    HA   VAL  30           HA       VAL  30   2.411  -8.491   1.260
  231    HB   VAL  30           HB       VAL  30   4.147  -6.004   1.494
  232   1HG1  VAL  30          HG11      VAL  30   2.913  -7.820   3.576
  233   2HG1  VAL  30          HG12      VAL  30   2.803  -6.062   3.462
  234   3HG1  VAL  30          HG13      VAL  30   4.328  -6.823   3.919
  235   1HG2  VAL  30          HG21      VAL  30   5.854  -7.617   2.278
  236   2HG2  VAL  30          HG22      VAL  30   5.326  -7.993   0.637
  237   3HG2  VAL  30          HG23      VAL  30   4.723  -8.941   1.997
  238    H    PHE  31           HN       PHE  31   2.412  -5.059   0.229
  239    HA   PHE  31           HA       PHE  31   0.181  -4.227   1.813
  240   1HB   PHE  31          HB2       PHE  31   1.590  -3.288  -0.669
  241   2HB   PHE  31          HB1       PHE  31   0.096  -2.489  -0.183
  242    HD1  PHE  31           HD1      PHE  31   0.161  -2.420   2.701
  243    HD2  PHE  31           HD2      PHE  31   3.406  -1.953  -0.075
  244    HE1  PHE  31           HE1      PHE  31   1.412  -1.103   4.387
  245    HE2  PHE  31           HE2      PHE  31   4.657  -0.639   1.614
  246    HZ   PHE  31           HZ       PHE  31   3.662  -0.215   3.844
  247    H    LYS  32           HN       LYS  32   0.378  -5.648  -1.440
  248    HA   LYS  32           HA       LYS  32  -2.364  -5.294  -2.190
  249   1HB   LYS  32          HB2       LYS  32  -0.491  -5.947  -3.697
  250   2HB   LYS  32          HB1       LYS  32  -0.399  -7.509  -2.882
  251   1HG   LYS  32          HG2       LYS  32  -2.574  -8.142  -3.643
  252   2HG   LYS  32          HG1       LYS  32  -2.937  -6.502  -4.182
  253   1HD   LYS  32          HD2       LYS  32  -0.531  -7.299  -5.495
  254   2HD   LYS  32          HD1       LYS  32  -1.673  -8.633  -5.650
  255   1HE   LYS  32          HE2       LYS  32  -2.604  -5.817  -6.186
  256   2HE   LYS  32          HE1       LYS  32  -1.743  -6.727  -7.444
  257   1HZ   LYS  32          HZ1       LYS  32  -3.290  -8.602  -6.965
  258   2HZ   LYS  32          HZ2       LYS  32  -4.044  -7.243  -7.650
  259   3HZ   LYS  32          HZ3       LYS  32  -4.194  -7.553  -5.986
  260    H    GLN  33           HN       GLN  33  -0.671  -8.017  -0.610
  261    HA   GLN  33           HA       GLN  33  -2.964  -9.693  -0.240
  262   1HB   GLN  33          HB2       GLN  33  -0.446 -10.190  -0.041
  263   2HB   GLN  33          HB1       GLN  33  -0.563  -9.511   1.582
  264   1HG   GLN  33          HG2       GLN  33  -0.869 -11.875   1.826
  265   2HG   GLN  33          HG1       GLN  33  -2.468 -11.151   1.996
  266   1HE2  GLN  33          HE21      GLN  33  -3.617 -13.024   1.187
  267   2HE2  GLN  33          HE22      GLN  33  -3.516 -13.509  -0.437
  268    H    TYR  34           HN       TYR  34  -1.581  -7.079   1.605
  269    HA   TYR  34           HA       TYR  34  -3.149  -7.354   4.009
  270   1HB   TYR  34          HB2       TYR  34  -1.169  -6.035   4.083
  271   2HB   TYR  34          HB1       TYR  34  -1.593  -5.160   2.617
  272    HD1  TYR  34           HD1      TYR  34  -2.278  -5.519   6.231
  273    HD2  TYR  34           HD2      TYR  34  -3.073  -3.254   2.674
  274    HE1  TYR  34           HE1      TYR  34  -3.313  -3.726   7.604
  275    HE2  TYR  34           HE2      TYR  34  -4.109  -1.462   4.037
  276    HH   TYR  34           HH       TYR  34  -4.878  -1.898   7.358
  277    H    ALA  35           HN       ALA  35  -3.503  -5.191   1.175
  278    HA   ALA  35           HA       ALA  35  -6.068  -4.127   1.912
  279   1HB   ALA  35          HB1       ALA  35  -4.307  -4.282  -0.496
  280   2HB   ALA  35          HB2       ALA  35  -4.994  -2.862   0.302
  281   3HB   ALA  35          HB3       ALA  35  -5.997  -3.846  -0.766
  282    H    ASN  36           HN       ASN  36  -5.140  -6.793  -0.286
  283    HA   ASN  36           HA       ASN  36  -7.724  -7.522  -1.171
  284   1HB   ASN  36          HB2       ASN  36  -5.509  -8.292  -2.055
  285   2HB   ASN  36          HB1       ASN  36  -5.336  -9.308  -0.624
  286   1HD2  ASN  36          HD21      ASN  36  -8.037  -8.657  -2.944
  287   2HD2  ASN  36          HD22      ASN  36  -8.392 -10.296  -3.208
  288    H    ASP  37           HN       ASP  37  -5.937  -8.448   1.751
  289    HA   ASP  37           HA       ASP  37  -7.744 -10.485   2.678
  290   1HB   ASP  37          HB2       ASP  37  -5.403 -10.088   3.451
  291   2HB   ASP  37          HB1       ASP  37  -5.937  -8.595   4.226
  292    H    ASN  38           HN       ASN  38  -7.411  -7.055   3.677
  293    HA   ASN  38           HA       ASN  38  -9.812  -7.045   5.291
  294   1HB   ASN  38          HB2       ASN  38  -8.123  -4.877   4.002
  295   2HB   ASN  38          HB1       ASN  38  -9.411  -4.551   5.163
  296   1HD2  ASN  38          HD21      ASN  38  -6.145  -5.837   4.807
  297   2HD2  ASN  38          HD22      ASN  38  -5.836  -6.010   6.467
  298    H    GLY  39           HN       GLY  39  -9.084  -5.747   2.032
  299   1HA   GLY  39          HA2       GLY  39 -10.921  -6.313   0.336
  300   2HA   GLY  39          HA1       GLY  39 -12.025  -5.619   1.522
  301    H    ILE  40           HN       ILE  40  -8.860  -4.593   0.167
  302    HA   ILE  40           HA       ILE  40 -10.132  -1.941  -0.431
  303    HB   ILE  40           HB       ILE  40  -7.311  -2.646   0.455
  304   1HG1  ILE  40          HG12      ILE  40  -9.530  -1.077   1.811
  305   2HG1  ILE  40          HG11      ILE  40  -9.083  -2.735   2.207
  306   1HG2  ILE  40          HG21      ILE  40  -8.569  -0.071  -0.500
  307   2HG2  ILE  40          HG22      ILE  40  -7.003  -0.758  -0.945
  308   3HG2  ILE  40          HG23      ILE  40  -7.234  -0.038   0.650
  309   1HD1  ILE  40          HD11      ILE  40  -6.984  -0.582   2.249
  310   2HD1  ILE  40          HD12      ILE  40  -7.037  -2.099   3.146
  311   3HD1  ILE  40          HD13      ILE  40  -8.085  -0.758   3.615
  312    H    ASP  41           HN       ASP  41 -10.590  -3.240  -2.532
  313    HA   ASP  41           HA       ASP  41  -8.235  -3.450  -4.339
  314   1HB   ASP  41          HB2       ASP  41 -11.149  -4.257  -4.398
  315   2HB   ASP  41          HB1       ASP  41 -10.165  -4.309  -5.862
  316    H    GLY  42           HN       GLY  42  -8.696  -0.849  -3.547
  317   1HA   GLY  42          HA2       GLY  42 -10.512   0.575  -5.293
  318   2HA   GLY  42          HA1       GLY  42  -9.282   1.294  -4.255
  319    H    GLU  43           HN       GLU  43  -8.274   2.650  -5.651
  320    HA   GLU  43           HA       GLU  43  -7.224   1.545  -8.190
  321   1HB   GLU  43          HB2       GLU  43  -7.922   4.326  -7.225
  322   2HB   GLU  43          HB1       GLU  43  -7.043   4.045  -8.728
  323   1HG   GLU  43          HG2       GLU  43  -9.689   2.708  -8.135
  324   2HG   GLU  43          HG1       GLU  43  -9.583   4.274  -8.940
  325    H    TRP  44           HN       TRP  44  -5.136   0.886  -7.862
  326    HA   TRP  44           HA       TRP  44  -3.512   2.053  -5.768
  327   1HB   TRP  44          HB2       TRP  44  -3.234  -0.149  -7.785
  328   2HB   TRP  44          HB1       TRP  44  -1.864   0.341  -6.780
  329    HD1  TRP  44           HD1      TRP  44  -5.552  -0.725  -6.364
  330    HE1  TRP  44           HE1      TRP  44  -5.781  -1.934  -4.095
  331    HE3  TRP  44           HE3      TRP  44  -0.789  -0.201  -4.598
  332    HZ2  TRP  44           HZ2      TRP  44  -4.158  -2.570  -1.833
  333    HZ3  TRP  44           HZ3      TRP  44  -0.158  -1.118  -2.384
  334    HH2  TRP  44           HH2      TRP  44  -1.837  -2.307  -0.999
  335    H    THR  45           HN       THR  45  -1.722   3.273  -5.966
  336    HA   THR  45           HA       THR  45  -0.565   3.963  -8.582
  337    HB   THR  45           HB       THR  45  -0.896   6.459  -7.838
  338    HG1  THR  45           HG1      THR  45  -2.655   6.788  -6.557
  339   1HG2  THR  45          HG21      THR  45  -2.855   6.606  -9.200
  340   2HG2  THR  45          HG22      THR  45  -3.338   4.959  -8.798
  341   3HG2  THR  45          HG23      THR  45  -1.927   5.240  -9.819
  342    H    TYR  46           HN       TYR  46   1.607   4.216  -8.242
  343    HA   TYR  46           HA       TYR  46   2.564   4.307  -5.424
  344   1HB   TYR  46          HB2       TYR  46   3.318   2.443  -6.735
  345   2HB   TYR  46          HB1       TYR  46   3.707   3.472  -8.107
  346    HD1  TYR  46           HD1      TYR  46   4.800   2.346  -4.757
  347    HD2  TYR  46           HD2      TYR  46   5.754   4.779  -8.166
  348    HE1  TYR  46           HE1      TYR  46   7.124   2.547  -3.956
  349    HE2  TYR  46           HE2      TYR  46   8.087   4.989  -7.358
  350    HH   TYR  46           HH       TYR  46   9.274   4.831  -5.105
  351    H    ASP  47           HN       ASP  47   3.977   5.926  -4.721
  352    HA   ASP  47           HA       ASP  47   4.403   8.242  -6.581
  353   1HB   ASP  47          HB2       ASP  47   2.862   8.402  -4.522
  354   2HB   ASP  47          HB1       ASP  47   4.331   8.279  -3.555
  355    H    ASP  48           HN       ASP  48   6.516   8.096  -7.270
  356    HA   ASP  48           HA       ASP  48   8.645   6.807  -5.821
  357   1HB   ASP  48          HB2       ASP  48   8.336   7.379  -8.337
  358   2HB   ASP  48          HB1       ASP  48   8.982   8.963  -7.906
  359    H    ALA  49           HN       ALA  49   7.307  10.032  -5.668
  360    HA   ALA  49           HA       ALA  49   9.453  11.589  -4.771
  361   1HB   ALA  49          HB1       ALA  49   7.743  13.017  -3.880
  362   2HB   ALA  49          HB2       ALA  49   6.644  11.657  -3.649
  363   3HB   ALA  49          HB3       ALA  49   7.031  12.212  -5.278
  364    H    THR  50           HN       THR  50   7.390   9.372  -2.890
  365    HA   THR  50           HA       THR  50   9.485   9.265  -0.780
  366    HB   THR  50           HB       THR  50   7.775   9.760   0.949
  367    HG1  THR  50           HG1      THR  50   5.747   9.940   0.425
  368   1HG2  THR  50          HG21      THR  50   9.156  11.577  -0.188
  369   2HG2  THR  50          HG22      THR  50   7.671  12.121   0.593
  370   3HG2  THR  50          HG23      THR  50   7.726  11.925  -1.160
  371    H    LYS  51           HN       LYS  51   8.015   7.440  -2.857
  372    HA   LYS  51           HA       LYS  51   7.229   5.211  -2.938
  373   1HB   LYS  51          HB2       LYS  51   9.265   5.540  -0.902
  374   2HB   LYS  51          HB1       LYS  51   8.146   4.266  -0.421
  375   1HG   LYS  51          HG2       LYS  51   9.489   2.974  -1.742
  376   2HG   LYS  51          HG1       LYS  51   8.476   3.626  -3.032
  377   1HD   LYS  51          HD2       LYS  51  10.811   3.912  -3.659
  378   2HD   LYS  51          HD1       LYS  51  10.126   5.497  -3.302
  379   1HE   LYS  51          HE2       LYS  51  11.940   5.742  -1.931
  380   2HE   LYS  51          HE1       LYS  51  11.054   4.678  -0.820
  381   1HZ   LYS  51          HZ1       LYS  51  13.010   3.880  -2.904
  382   2HZ   LYS  51          HZ2       LYS  51  11.994   2.775  -2.108
  383   3HZ   LYS  51          HZ3       LYS  51  13.146   3.661  -1.228
  384    H    THR  52           HN       THR  52   4.938   5.628  -2.736
  385    HA   THR  52           HA       THR  52   3.811   4.767  -0.130
  386    HB   THR  52           HB       THR  52   3.000   7.367  -1.451
  387    HG1  THR  52           HG1      THR  52   4.308   8.369   0.012
  388   1HG2  THR  52          HG21      THR  52   1.547   5.925   0.245
  389   2HG2  THR  52          HG22      THR  52   1.607   7.684   0.365
  390   3HG2  THR  52          HG23      THR  52   2.600   6.692   1.433
  391    H    PHE  53           HN       PHE  53   2.745   2.990  -1.064
  392    HA   PHE  53           HA       PHE  53   1.338   3.004  -3.579
  393   1HB   PHE  53          HB2       PHE  53   1.098   1.356  -1.038
  394   2HB   PHE  53          HB1       PHE  53   0.259   0.953  -2.535
  395    HD1  PHE  53           HD1      PHE  53   1.559   0.376  -4.585
  396    HD2  PHE  53           HD2      PHE  53   3.454   0.959  -0.774
  397    HE1  PHE  53           HE1      PHE  53   3.592  -0.774  -5.418
  398    HE2  PHE  53           HE2      PHE  53   5.486  -0.194  -1.604
  399    HZ   PHE  53           HZ       PHE  53   5.554  -1.062  -3.929
  400    H    THR  54           HN       THR  54  -0.562   4.097  -4.020
  401    HA   THR  54           HA       THR  54  -2.227   4.960  -1.672
  402    HB   THR  54           HB       THR  54  -1.876   6.145  -4.439
  403    HG1  THR  54           HG1      THR  54  -0.394   7.395  -3.543
  404   1HG2  THR  54          HG21      THR  54  -3.993   6.539  -2.769
  405   2HG2  THR  54          HG22      THR  54  -3.378   7.763  -3.880
  406   3HG2  THR  54          HG23      THR  54  -2.880   7.777  -2.189
  407    H    VAL  55           HN       VAL  55  -3.792   3.215  -1.614
  408    HA   VAL  55           HA       VAL  55  -5.350   2.745  -4.077
  409    HB   VAL  55           HB       VAL  55  -4.470   0.791  -2.768
  410   1HG1  VAL  55          HG11      VAL  55  -5.325   0.252  -0.613
  411   2HG1  VAL  55          HG12      VAL  55  -6.537   1.538  -0.715
  412   3HG1  VAL  55          HG13      VAL  55  -4.832   1.947  -0.521
  413   1HG2  VAL  55          HG21      VAL  55  -6.561   0.712  -4.184
  414   2HG2  VAL  55          HG22      VAL  55  -7.481   0.931  -2.695
  415   3HG2  VAL  55          HG23      VAL  55  -6.478  -0.503  -2.908
  416    H    THR  56           HN       THR  56  -7.780   2.611  -3.720
  417    HA   THR  56           HA       THR  56  -8.893   4.215  -1.514
  418    HB   THR  56           HB       THR  56  -8.938   5.063  -4.426
  419    HG1  THR  56           HG1      THR  56  -7.783   6.342  -2.180
  420   1HG2  THR  56          HG21      THR  56 -10.920   5.975  -3.730
  421   2HG2  THR  56          HG22      THR  56  -9.854   7.203  -3.047
  422   3HG2  THR  56          HG23      THR  56 -10.471   5.904  -2.026
  423    H    GLU  57           HN       GLU  57 -10.444   2.652  -1.015
  424    HA   GLU  57           HA       GLU  57 -11.985   1.347  -3.193
  425   1HB   GLU  57          HB2       GLU  57 -10.892   0.378  -0.962
  426   2HB   GLU  57          HB1       GLU  57 -12.431   0.887  -0.267
  427   1HG   GLU  57          HG2       GLU  57 -12.519  -0.635  -2.834
  428   2HG   GLU  57          HG1       GLU  57 -12.124  -1.532  -1.367
  Start of MODEL   22
    1   1H    MET   1          HT1       MET   1 -17.679   2.356   3.954
    2   2H    MET   1          HT2       MET   1 -16.986   0.831   4.238
    3   3H    MET   1          HT3       MET   1 -17.716   1.171   2.742
    4    HA   MET   1           HA       MET   1 -16.009   2.719   2.157
    5   1HB   MET   1          HB2       MET   1 -14.253   3.221   3.854
    6   2HB   MET   1          HB1       MET   1 -15.860   3.683   4.411
    7   1HG   MET   1          HG2       MET   1 -16.017   1.820   5.867
    8   2HG   MET   1          HG1       MET   1 -14.685   0.980   5.072
    9   1HE   MET   1          HE1       MET   1 -13.774   0.401   7.204
   10   2HE   MET   1          HE2       MET   1 -12.489   1.355   7.941
   11   3HE   MET   1          HE3       MET   1 -12.364   0.879   6.249
   12    H    THR   2           HN       THR   2 -13.913   2.014   1.334
   13    HA   THR   2           HA       THR   2 -13.583  -0.946   1.427
   14    HB   THR   2           HB       THR   2 -12.377   1.169  -0.385
   15    HG1  THR   2           HG1      THR   2 -14.627  -0.522  -0.735
   16   1HG2  THR   2          HG21      THR   2 -12.130  -0.859  -1.898
   17   2HG2  THR   2          HG22      THR   2 -12.520  -1.849  -0.491
   18   3HG2  THR   2          HG23      THR   2 -11.075  -0.837  -0.484
   19    H    THR   3           HN       THR   3 -12.165  -1.575   3.010
   20    HA   THR   3           HA       THR   3  -9.983   0.142   3.893
   21    HB   THR   3           HB       THR   3 -10.577  -2.715   4.666
   22    HG1  THR   3           HG1      THR   3 -12.237  -2.037   5.795
   23   1HG2  THR   3          HG21      THR   3  -9.346  -2.281   6.569
   24   2HG2  THR   3          HG22      THR   3  -9.731  -0.560   6.551
   25   3HG2  THR   3          HG23      THR   3  -8.523  -1.204   5.440
   26    H    PHE   4           HN       PHE   4  -8.580   0.202   2.017
   27    HA   PHE   4           HA       PHE   4  -7.626  -2.217   0.712
   28   1HB   PHE   4          HB2       PHE   4  -6.674   0.664   0.808
   29   2HB   PHE   4          HB1       PHE   4  -5.986  -0.554  -0.265
   30    HD1  PHE   4           HD1      PHE   4  -7.344  -1.556  -2.072
   31    HD2  PHE   4           HD2      PHE   4  -8.876   1.590   0.419
   32    HE1  PHE   4           HE1      PHE   4  -9.174  -1.158  -3.699
   33    HE2  PHE   4           HE2      PHE   4 -10.705   1.988  -1.207
   34    HZ   PHE   4           HZ       PHE   4 -10.854   0.614  -3.266
   35    H    LYS   5           HN       LYS   5  -5.166  -2.682   0.711
   36    HA   LYS   5           HA       LYS   5  -3.904  -2.164   3.371
   37   1HB   LYS   5          HB2       LYS   5  -5.215  -4.306   3.363
   38   2HB   LYS   5          HB1       LYS   5  -4.185  -4.882   2.051
   39   1HG   LYS   5          HG2       LYS   5  -2.297  -5.025   3.414
   40   2HG   LYS   5          HG1       LYS   5  -2.922  -3.852   4.574
   41   1HD   LYS   5          HD2       LYS   5  -3.207  -5.864   5.729
   42   2HD   LYS   5          HD1       LYS   5  -4.789  -5.649   4.978
   43   1HE   LYS   5          HE2       LYS   5  -3.669  -6.999   2.981
   44   2HE   LYS   5          HE1       LYS   5  -2.616  -7.594   4.281
   45   1HZ   LYS   5          HZ1       LYS   5  -5.580  -7.520   4.448
   46   2HZ   LYS   5          HZ2       LYS   5  -4.510  -8.228   5.561
   47   3HZ   LYS   5          HZ3       LYS   5  -4.697  -8.901   4.012
   48    H    LEU   6           HN       LEU   6  -1.681  -1.925   3.236
   49    HA   LEU   6           HA       LEU   6  -0.425  -2.326   0.542
   50   1HB   LEU   6          HB2       LEU   6  -0.579   0.005   1.226
   51   2HB   LEU   6          HB1       LEU   6   0.095  -0.372   2.809
   52    HG   LEU   6           HG       LEU   6   2.202  -1.144   1.621
   53   1HD1  LEU   6          HD11      LEU   6   1.330  -1.540  -0.596
   54   2HD1  LEU   6          HD12      LEU   6   2.488  -0.215  -0.706
   55   3HD1  LEU   6          HD13      LEU   6   0.756   0.122  -0.721
   56   1HD2  LEU   6          HD21      LEU   6   1.173   1.631   1.820
   57   2HD2  LEU   6          HD22      LEU   6   2.606   1.421   0.814
   58   3HD2  LEU   6          HD23      LEU   6   2.636   0.918   2.505
   59    H    ILE   7           HN       ILE   7   1.026  -4.010   0.517
   60    HA   ILE   7           HA       ILE   7   1.960  -5.286   2.955
   61    HB   ILE   7           HB       ILE   7   1.541  -6.149   0.473
   62   1HG1  ILE   7          HG12      ILE   7   3.334  -7.950   0.937
   63   2HG1  ILE   7          HG11      ILE   7   3.658  -7.046   2.415
   64   1HG2  ILE   7          HG21      ILE   7   3.370  -4.601  -0.426
   65   2HG2  ILE   7          HG22      ILE   7   3.451  -6.286  -0.933
   66   3HG2  ILE   7          HG23      ILE   7   4.524  -5.695   0.333
   67   1HD1  ILE   7          HD11      ILE   7   1.912  -8.964   2.523
   68   2HD1  ILE   7          HD12      ILE   7   0.847  -7.842   1.677
   69   3HD1  ILE   7          HD13      ILE   7   1.491  -7.420   3.263
   70    H    ILE   8           HN       ILE   8   4.412  -5.482   3.390
   71    HA   ILE   8           HA       ILE   8   5.802  -2.924   2.667
   72    HB   ILE   8           HB       ILE   8   5.801  -4.395   5.322
   73   1HG1  ILE   8          HG12      ILE   8   4.547  -1.736   4.565
   74   2HG1  ILE   8          HG11      ILE   8   3.647  -3.239   4.766
   75   1HG2  ILE   8          HG21      ILE   8   7.884  -3.068   4.599
   76   2HG2  ILE   8          HG22      ILE   8   7.162  -2.629   6.147
   77   3HG2  ILE   8          HG23      ILE   8   6.867  -1.633   4.723
   78   1HD1  ILE   8          HD11      ILE   8   4.251  -3.376   7.096
   79   2HD1  ILE   8          HD12      ILE   8   3.658  -1.741   6.807
   80   3HD1  ILE   8          HD13      ILE   8   5.391  -2.041   6.934
   81    H    ASN   9           HN       ASN   9   6.661  -4.523   0.946
   82    HA   ASN   9           HA       ASN   9   8.689  -6.427   1.993
   83   1HB   ASN   9          HB2       ASN   9   7.043  -6.080  -0.383
   84   2HB   ASN   9          HB1       ASN   9   8.732  -6.303  -0.832
   85   1HD2  ASN   9          HD21      ASN   9   6.336  -8.213  -0.991
   86   2HD2  ASN   9          HD22      ASN   9   6.865  -9.613  -0.190
   87    H    GLY  10           HN       GLY  10   9.331  -3.847   2.664
   88   1HA   GLY  10          HA2       GLY  10  11.437  -3.064   0.691
   89   2HA   GLY  10          HA1       GLY  10  10.633  -1.921   1.772
   90    H    LYS  11           HN       LYS  11  13.517  -2.570   1.527
   91    HA   LYS  11           HA       LYS  11  14.388  -4.133   3.783
   92   1HB   LYS  11          HB2       LYS  11  15.677  -3.391   1.719
   93   2HB   LYS  11          HB1       LYS  11  15.789  -1.795   2.459
   94   1HG   LYS  11          HG2       LYS  11  16.560  -3.689   4.449
   95   2HG   LYS  11          HG1       LYS  11  17.406  -4.125   2.965
   96   1HD   LYS  11          HD2       LYS  11  17.330  -1.282   3.987
   97   2HD   LYS  11          HD1       LYS  11  18.578  -2.424   4.483
   98   1HE   LYS  11          HE2       LYS  11  18.657  -2.786   1.786
   99   2HE   LYS  11          HE1       LYS  11  18.202  -1.072   1.870
  100   1HZ   LYS  11          HZ1       LYS  11  20.579  -1.234   2.016
  101   2HZ   LYS  11          HZ2       LYS  11  20.478  -2.380   3.267
  102   3HZ   LYS  11          HZ3       LYS  11  19.983  -0.777   3.537
  103    H    THR  12           HN       THR  12  12.928  -1.005   3.599
  104    HA   THR  12           HA       THR  12  14.187   0.059   6.031
  105    HB   THR  12           HB       THR  12  11.723   1.059   4.592
  106    HG1  THR  12           HG1      THR  12  12.952   1.785   3.011
  107   1HG2  THR  12          HG21      THR  12  12.926   2.005   6.805
  108   2HG2  THR  12          HG22      THR  12  12.166   3.063   5.615
  109   3HG2  THR  12          HG23      THR  12  13.911   2.811   5.585
  110    H    LEU  13           HN       LEU  13  11.065  -1.402   5.092
  111    HA   LEU  13           HA       LEU  13  10.485  -1.805   8.002
  112   1HB   LEU  13          HB2       LEU  13   8.936  -0.298   5.926
  113   2HB   LEU  13          HB1       LEU  13   8.042  -1.162   7.177
  114    HG   LEU  13           HG       LEU  13  10.345   0.618   7.933
  115   1HD1  LEU  13          HD11      LEU  13   8.845   1.974   6.504
  116   2HD1  LEU  13          HD12      LEU  13   8.763   2.487   8.189
  117   3HD1  LEU  13          HD13      LEU  13   7.473   1.499   7.504
  118   1HD2  LEU  13          HD21      LEU  13   9.339  -0.902   9.610
  119   2HD2  LEU  13          HD22      LEU  13   7.757  -0.183   9.305
  120   3HD2  LEU  13          HD23      LEU  13   9.044   0.788  10.022
  121    H    LYS  14           HN       LYS  14   8.571  -3.358   8.250
  122    HA   LYS  14           HA       LYS  14   8.137  -5.197   5.961
  123   1HB   LYS  14          HB2       LYS  14   9.901  -5.630   8.289
  124   2HB   LYS  14          HB1       LYS  14   8.778  -6.954   7.979
  125   1HG   LYS  14          HG2       LYS  14   9.612  -7.299   5.787
  126   2HG   LYS  14          HG1       LYS  14  10.431  -5.737   5.765
  127   1HD   LYS  14          HD2       LYS  14  12.238  -7.093   6.233
  128   2HD   LYS  14          HD1       LYS  14  11.685  -6.779   7.878
  129   1HE   LYS  14          HE2       LYS  14  11.695  -9.074   8.028
  130   2HE   LYS  14          HE1       LYS  14  10.126  -8.934   7.209
  131   1HZ   LYS  14          HZ1       LYS  14  12.717  -9.037   5.766
  132   2HZ   LYS  14          HZ2       LYS  14  11.158  -9.151   5.101
  133   3HZ   LYS  14          HZ3       LYS  14  11.769 -10.412   6.062
  134    H    GLY  15           HN       GLY  15   6.137  -6.245   6.133
  135   1HA   GLY  15          HA2       GLY  15   4.511  -7.253   7.856
  136   2HA   GLY  15          HA1       GLY  15   4.548  -5.652   8.594
  137    H    GLU  16           HN       GLU  16   2.306  -5.293   8.225
  138    HA   GLU  16           HA       GLU  16   1.654  -4.532   5.417
  139   1HB   GLU  16          HB2       GLU  16  -0.504  -5.759   5.637
  140   2HB   GLU  16          HB1       GLU  16   0.882  -6.842   5.753
  141   1HG   GLU  16          HG2       GLU  16   0.719  -6.843   8.195
  142   2HG   GLU  16          HG1       GLU  16  -0.607  -5.682   8.129
  143    H    THR  17           HN       THR  17  -0.237  -3.072   5.326
  144    HA   THR  17           HA       THR  17  -1.128  -1.895   7.910
  145    HB   THR  17           HB       THR  17   0.035  -0.216   5.676
  146    HG1  THR  17           HG1      THR  17   1.836  -1.114   6.299
  147   1HG2  THR  17          HG21      THR  17  -0.827   0.232   8.521
  148   2HG2  THR  17          HG22      THR  17  -1.240   1.159   7.078
  149   3HG2  THR  17          HG23      THR  17   0.372   1.292   7.780
  150    H    THR  18           HN       THR  18  -3.155  -0.836   7.716
  151    HA   THR  18           HA       THR  18  -4.484  -1.067   5.033
  152    HB   THR  18           HB       THR  18  -6.543  -1.459   6.391
  153    HG1  THR  18           HG1      THR  18  -6.416  -1.518   8.554
  154   1HG2  THR  18          HG21      THR  18  -4.667  -3.248   5.732
  155   2HG2  THR  18          HG22      THR  18  -6.091  -3.697   6.671
  156   3HG2  THR  18          HG23      THR  18  -4.557  -3.393   7.487
  157    H    THR  19           HN       THR  19  -6.425   0.507   4.900
  158    HA   THR  19           HA       THR  19  -5.982   3.034   6.422
  159    HB   THR  19           HB       THR  19  -4.638   3.148   4.361
  160    HG1  THR  19           HG1      THR  19  -5.285   5.127   4.405
  161   1HG2  THR  19          HG21      THR  19  -5.943   1.493   3.054
  162   2HG2  THR  19          HG22      THR  19  -5.711   2.994   2.158
  163   3HG2  THR  19          HG23      THR  19  -7.263   2.655   2.924
  164    H    GLU  20           HN       GLU  20  -7.795   4.652   5.235
  165    HA   GLU  20           HA       GLU  20 -10.372   3.111   5.246
  166   1HB   GLU  20          HB2       GLU  20  -9.660   5.782   6.504
  167   2HB   GLU  20          HB1       GLU  20 -11.282   5.090   6.481
  168   1HG   GLU  20          HG2       GLU  20 -10.644   4.214   8.493
  169   2HG   GLU  20          HG1       GLU  20  -9.884   2.986   7.481
  170    H    ALA  21           HN       ALA  21 -10.378   3.189   2.892
  171    HA   ALA  21           HA       ALA  21 -11.001   5.911   1.794
  172   1HB   ALA  21          HB1       ALA  21  -8.961   3.916   1.093
  173   2HB   ALA  21          HB2       ALA  21  -9.042   5.627   0.675
  174   3HB   ALA  21          HB3       ALA  21  -9.916   4.441  -0.294
  175    H    VAL  22           HN       VAL  22 -12.844   5.972   0.516
  176    HA   VAL  22           HA       VAL  22 -14.762   3.885   0.568
  177    HB   VAL  22           HB       VAL  22 -15.881   5.319  -1.120
  178   1HG1  VAL  22          HG11      VAL  22 -15.849   5.903   1.320
  179   2HG1  VAL  22          HG12      VAL  22 -16.057   7.294   0.256
  180   3HG1  VAL  22          HG13      VAL  22 -14.487   6.973   0.990
  181   1HG2  VAL  22          HG21      VAL  22 -13.689   5.838  -2.333
  182   2HG2  VAL  22          HG22      VAL  22 -13.394   7.030  -1.069
  183   3HG2  VAL  22          HG23      VAL  22 -14.797   7.192  -2.123
  184    H    ASP  23           HN       ASP  23 -12.094   4.485  -1.635
  185    HA   ASP  23           HA       ASP  23 -12.351   1.863  -2.848
  186   1HB   ASP  23          HB2       ASP  23 -12.884   2.736  -5.146
  187   2HB   ASP  23          HB1       ASP  23 -14.201   2.948  -3.997
  188    H    ALA  24           HN       ALA  24 -10.825   1.874  -4.946
  189    HA   ALA  24           HA       ALA  24  -8.189   2.456  -4.156
  190   1HB   ALA  24          HB1       ALA  24  -8.073   2.463  -6.887
  191   2HB   ALA  24          HB2       ALA  24  -9.653   1.728  -6.619
  192   3HB   ALA  24          HB3       ALA  24  -8.211   0.998  -5.914
  193    H    ALA  25           HN       ALA  25 -10.586   4.578  -5.570
  194    HA   ALA  25           HA       ALA  25  -8.985   6.573  -6.789
  195   1HB   ALA  25          HB1       ALA  25 -11.618   6.163  -6.350
  196   2HB   ALA  25          HB2       ALA  25 -10.975   7.736  -6.824
  197   3HB   ALA  25          HB3       ALA  25 -11.318   7.399  -5.127
  198    H    THR  26           HN       THR  26  -9.988   6.263  -3.371
  199    HA   THR  26           HA       THR  26  -8.349   8.580  -2.566
  200    HB   THR  26           HB       THR  26  -9.915   6.523  -0.970
  201    HG1  THR  26           HG1      THR  26 -11.545   8.082  -1.039
  202   1HG2  THR  26          HG21      THR  26  -9.221   9.342  -0.157
  203   2HG2  THR  26          HG22      THR  26  -8.131   7.996   0.177
  204   3HG2  THR  26          HG23      THR  26  -9.756   8.007   0.862
  205    H    ALA  27           HN       ALA  27  -8.218   5.056  -2.498
  206    HA   ALA  27           HA       ALA  27  -6.047   4.704  -0.663
  207   1HB   ALA  27          HB1       ALA  27  -6.411   2.964  -3.082
  208   2HB   ALA  27          HB2       ALA  27  -7.734   3.074  -1.920
  209   3HB   ALA  27          HB3       ALA  27  -6.150   2.494  -1.402
  210    H    GLU  28           HN       GLU  28  -3.913   3.591  -1.749
  211    HA   GLU  28           HA       GLU  28  -1.918   3.919  -2.971
  212   1HB   GLU  28          HB2       GLU  28  -3.775   3.895  -4.819
  213   2HB   GLU  28          HB1       GLU  28  -3.485   5.634  -4.894
  214   1HG   GLU  28          HG2       GLU  28  -1.029   5.126  -5.190
  215   2HG   GLU  28          HG1       GLU  28  -1.462   3.423  -5.341
  216    H    LYS  29           HN       LYS  29  -3.756   7.006  -3.316
  217    HA   LYS  29           HA       LYS  29  -1.539   8.753  -3.108
  218   1HB   LYS  29          HB2       LYS  29  -4.422   9.055  -2.204
  219   2HB   LYS  29          HB1       LYS  29  -3.299  10.399  -2.412
  220   1HG   LYS  29          HG2       LYS  29  -3.253  10.183  -4.727
  221   2HG   LYS  29          HG1       LYS  29  -3.692   8.475  -4.679
  222   1HD   LYS  29          HD2       LYS  29  -5.970   9.148  -3.862
  223   2HD   LYS  29          HD1       LYS  29  -5.512  10.833  -4.116
  224   1HE   LYS  29          HE2       LYS  29  -5.162   8.883  -6.379
  225   2HE   LYS  29          HE1       LYS  29  -6.775   9.543  -6.039
  226   1HZ   LYS  29          HZ1       LYS  29  -5.649  11.044  -7.507
  227   2HZ   LYS  29          HZ2       LYS  29  -4.279  11.086  -6.504
  228   3HZ   LYS  29          HZ3       LYS  29  -5.740  11.775  -5.980
  229    H    VAL  30           HN       VAL  30  -3.442   7.176  -0.573
  230    HA   VAL  30           HA       VAL  30  -2.104   8.627   1.609
  231    HB   VAL  30           HB       VAL  30  -3.987   6.242   1.499
  232   1HG1  VAL  30          HG11      VAL  30  -2.917   7.891   3.796
  233   2HG1  VAL  30          HG12      VAL  30  -2.913   6.136   3.619
  234   3HG1  VAL  30          HG13      VAL  30  -4.427   6.988   3.921
  235   1HG2  VAL  30          HG21      VAL  30  -5.477   8.227   2.488
  236   2HG2  VAL  30          HG22      VAL  30  -5.303   7.989   0.749
  237   3HG2  VAL  30          HG23      VAL  30  -4.333   9.210   1.573
  238    H    PHE  31           HN       PHE  31  -2.183   5.243   0.421
  239    HA   PHE  31           HA       PHE  31  -0.176   4.227   2.199
  240   1HB   PHE  31          HB2       PHE  31  -1.381   3.449  -0.443
  241   2HB   PHE  31          HB1       PHE  31   0.011   2.551   0.155
  242    HD1  PHE  31           HD1      PHE  31  -3.302   2.175  -0.097
  243    HD2  PHE  31           HD2      PHE  31  -0.360   2.411   3.024
  244    HE1  PHE  31           HE1      PHE  31  -4.786   0.876   1.403
  245    HE2  PHE  31           HE2      PHE  31  -1.848   1.113   4.524
  246    HZ   PHE  31           HZ       PHE  31  -4.061   0.346   3.712
  247    H    LYS  32           HN       LYS  32  -0.005   5.824  -0.946
  248    HA   LYS  32           HA       LYS  32   2.753   5.313  -1.530
  249   1HB   LYS  32          HB2       LYS  32   1.034   6.173  -3.114
  250   2HB   LYS  32          HB1       LYS  32   0.993   7.694  -2.220
  251   1HG   LYS  32          HG2       LYS  32   3.063   8.363  -2.988
  252   2HG   LYS  32          HG1       LYS  32   3.653   6.709  -3.154
  253   1HD   LYS  32          HD2       LYS  32   3.345   7.577  -5.380
  254   2HD   LYS  32          HD1       LYS  32   2.039   6.429  -5.084
  255   1HE   LYS  32          HE2       LYS  32   0.565   8.357  -4.417
  256   2HE   LYS  32          HE1       LYS  32   1.865   9.457  -4.918
  257   1HZ   LYS  32          HZ1       LYS  32   1.829   8.568  -7.103
  258   2HZ   LYS  32          HZ2       LYS  32   0.217   8.923  -6.703
  259   3HZ   LYS  32          HZ3       LYS  32   0.773   7.318  -6.661
  260    H    GLN  33           HN       GLN  33   1.114   7.926   0.254
  261    HA   GLN  33           HA       GLN  33   3.413   9.547   0.782
  262   1HB   GLN  33          HB2       GLN  33   0.986  10.161   1.048
  263   2HB   GLN  33          HB1       GLN  33   0.931   9.123   2.473
  264   1HG   GLN  33          HG2       GLN  33   1.335  11.292   3.341
  265   2HG   GLN  33          HG1       GLN  33   2.920  10.517   3.342
  266   1HE2  GLN  33          HE21      GLN  33   4.453  12.021   2.669
  267   2HE2  GLN  33          HE22      GLN  33   4.247  13.118   1.390
  268    H    TYR  34           HN       TYR  34   2.058   6.747   2.357
  269    HA   TYR  34           HA       TYR  34   3.679   6.797   4.750
  270   1HB   TYR  34          HB2       TYR  34   1.718   5.500   4.845
  271   2HB   TYR  34          HB1       TYR  34   1.961   4.833   3.236
  272    HD1  TYR  34           HD1      TYR  34   3.045   4.664   6.773
  273    HD2  TYR  34           HD2      TYR  34   3.259   2.840   2.895
  274    HE1  TYR  34           HE1      TYR  34   4.091   2.649   7.780
  275    HE2  TYR  34           HE2      TYR  34   4.303   0.826   3.891
  276    HH   TYR  34           HH       TYR  34   5.629   0.271   5.946
  277    H    ALA  35           HN       ALA  35   3.925   4.934   1.703
  278    HA   ALA  35           HA       ALA  35   6.491   3.756   2.301
  279   1HB   ALA  35          HB1       ALA  35   5.425   2.587   0.640
  280   2HB   ALA  35          HB2       ALA  35   6.276   3.716  -0.417
  281   3HB   ALA  35          HB3       ALA  35   4.598   4.023   0.034
  282    H    ASN  36           HN       ASN  36   5.551   6.509   0.203
  283    HA   ASN  36           HA       ASN  36   8.111   7.268  -0.692
  284   1HB   ASN  36          HB2       ASN  36   5.757   8.093  -1.328
  285   2HB   ASN  36          HB1       ASN  36   5.898   9.188   0.049
  286   1HD2  ASN  36          HD21      ASN  36   6.348  11.213  -0.868
  287   2HD2  ASN  36          HD22      ASN  36   7.576  11.502  -2.004
  288    H    ASP  37           HN       ASP  37   6.529   7.841   2.395
  289    HA   ASP  37           HA       ASP  37   8.265   9.913   3.390
  290   1HB   ASP  37          HB2       ASP  37   6.243   7.987   4.394
  291   2HB   ASP  37          HB1       ASP  37   7.385   8.577   5.602
  292    H    ASN  38           HN       ASN  38   8.373   6.359   3.572
  293    HA   ASN  38           HA       ASN  38  10.908   6.401   5.095
  294   1HB   ASN  38          HB2       ASN  38   8.876   4.403   4.159
  295   2HB   ASN  38          HB1       ASN  38  10.486   3.823   4.589
  296   1HD2  ASN  38          HD21      ASN  38   8.006   6.082   5.947
  297   2HD2  ASN  38          HD22      ASN  38   8.227   5.582   7.554
  298    H    GLY  39           HN       GLY  39   9.728   5.373   1.886
  299   1HA   GLY  39          HA2       GLY  39  11.298   6.004  -0.013
  300   2HA   GLY  39          HA1       GLY  39  12.573   5.279   0.966
  301    H    ILE  40           HN       ILE  40   9.275   4.020   0.510
  302    HA   ILE  40           HA       ILE  40  10.445   1.450  -0.404
  303    HB   ILE  40           HB       ILE  40   7.662   2.338   0.428
  304   1HG1  ILE  40          HG12      ILE  40   9.703   0.556   1.795
  305   2HG1  ILE  40          HG11      ILE  40   9.421   2.249   2.201
  306   1HG2  ILE  40          HG21      ILE  40   7.148   0.508  -0.938
  307   2HG2  ILE  40          HG22      ILE  40   7.454  -0.301   0.601
  308   3HG2  ILE  40          HG23      ILE  40   8.705  -0.270  -0.640
  309   1HD1  ILE  40          HD11      ILE  40   8.150   0.178   3.423
  310   2HD1  ILE  40          HD12      ILE  40   6.999   0.543   2.136
  311   3HD1  ILE  40          HD13      ILE  40   7.464   1.797   3.286
  312    H    ASP  41           HN       ASP  41  10.994   2.904  -2.461
  313    HA   ASP  41           HA       ASP  41   8.721   3.207  -4.332
  314   1HB   ASP  41          HB2       ASP  41  11.708   3.728  -4.427
  315   2HB   ASP  41          HB1       ASP  41  10.645   4.017  -5.804
  316    H    GLY  42           HN       GLY  42   8.799   0.597  -3.681
  317   1HA   GLY  42          HA2       GLY  42  10.597  -0.951  -5.379
  318   2HA   GLY  42          HA1       GLY  42   9.290  -1.589  -4.381
  319    H    GLU  43           HN       GLU  43   8.142  -2.793  -5.807
  320    HA   GLU  43           HA       GLU  43   7.227  -1.506  -8.314
  321   1HB   GLU  43          HB2       GLU  43   7.758  -4.370  -7.505
  322   2HB   GLU  43          HB1       GLU  43   6.888  -3.961  -8.984
  323   1HG   GLU  43          HG2       GLU  43   9.477  -2.564  -8.506
  324   2HG   GLU  43          HG1       GLU  43   9.553  -4.270  -8.946
  325    H    TRP  44           HN       TRP  44   5.283  -0.602  -7.678
  326    HA   TRP  44           HA       TRP  44   3.528  -1.831  -5.772
  327   1HB   TRP  44          HB2       TRP  44   3.355   0.484  -7.685
  328   2HB   TRP  44          HB1       TRP  44   2.006   0.039  -6.632
  329    HD1  TRP  44           HD1      TRP  44   5.784   0.792  -6.333
  330    HE1  TRP  44           HE1      TRP  44   6.193   1.916  -4.046
  331    HE3  TRP  44           HE3      TRP  44   1.052   0.649  -4.415
  332    HZ2  TRP  44           HZ2      TRP  44   4.711   2.637  -1.716
  333    HZ3  TRP  44           HZ3      TRP  44   0.580   1.562  -2.160
  334    HH2  TRP  44           HH2      TRP  44   2.403   2.561  -0.809
  335    H    THR  45           HN       THR  45   1.681  -2.947  -6.060
  336    HA   THR  45           HA       THR  45   0.526  -3.397  -8.734
  337    HB   THR  45           HB       THR  45   0.689  -5.934  -8.197
  338    HG1  THR  45           HG1      THR  45   2.119  -6.513  -6.714
  339   1HG2  THR  45          HG21      THR  45   2.767  -6.104  -9.387
  340   2HG2  THR  45          HG22      THR  45   3.286  -4.515  -8.825
  341   3HG2  THR  45          HG23      THR  45   1.959  -4.652  -9.979
  342    H    TYR  46           HN       TYR  46  -1.655  -3.510  -8.455
  343    HA   TYR  46           HA       TYR  46  -2.681  -3.828  -5.667
  344   1HB   TYR  46          HB2       TYR  46  -3.202  -1.704  -6.591
  345   2HB   TYR  46          HB1       TYR  46  -3.538  -2.376  -8.180
  346    HD1  TYR  46           HD1      TYR  46  -5.669  -3.494  -8.654
  347    HD2  TYR  46           HD2      TYR  46  -4.884  -1.732  -4.816
  348    HE1  TYR  46           HE1      TYR  46  -8.086  -3.583  -8.118
  349    HE2  TYR  46           HE2      TYR  46  -7.296  -1.821  -4.279
  350    HH   TYR  46           HH       TYR  46  -9.581  -1.909  -6.110
  351    H    ASP  47           HN       ASP  47  -3.419  -5.886  -5.314
  352    HA   ASP  47           HA       ASP  47  -4.395  -7.574  -7.530
  353   1HB   ASP  47          HB2       ASP  47  -3.545  -7.838  -4.693
  354   2HB   ASP  47          HB1       ASP  47  -4.737  -9.012  -5.252
  355    H    ASP  48           HN       ASP  48  -6.509  -7.438  -8.123
  356    HA   ASP  48           HA       ASP  48  -8.541  -6.098  -6.562
  357   1HB   ASP  48          HB2       ASP  48  -8.244  -6.565  -9.134
  358   2HB   ASP  48          HB1       ASP  48  -9.095  -8.066  -8.770
  359    H    ALA  49           HN       ALA  49  -7.417  -9.409  -6.722
  360    HA   ALA  49           HA       ALA  49  -9.629 -10.903  -5.895
  361   1HB   ALA  49          HB1       ALA  49  -7.021 -11.474  -4.595
  362   2HB   ALA  49          HB2       ALA  49  -6.997 -11.342  -6.353
  363   3HB   ALA  49          HB3       ALA  49  -8.042 -12.529  -5.572
  364    H    THR  50           HN       THR  50  -7.468  -8.894  -3.904
  365    HA   THR  50           HA       THR  50  -9.479  -9.014  -1.704
  366    HB   THR  50           HB       THR  50  -7.620  -9.481  -0.112
  367    HG1  THR  50           HG1      THR  50  -5.623 -10.066  -0.991
  368   1HG2  THR  50          HG21      THR  50  -8.995 -11.313  -1.150
  369   2HG2  THR  50          HG22      THR  50  -7.381 -11.823  -0.656
  370   3HG2  THR  50          HG23      THR  50  -7.724 -11.509  -2.358
  371    H    LYS  51           HN       LYS  51  -8.032  -6.992  -3.734
  372    HA   LYS  51           HA       LYS  51  -7.344  -4.733  -3.669
  373   1HB   LYS  51          HB2       LYS  51  -9.497  -5.250  -1.773
  374   2HB   LYS  51          HB1       LYS  51  -8.513  -3.882  -1.252
  375   1HG   LYS  51          HG2       LYS  51 -10.091  -2.868  -2.661
  376   2HG   LYS  51          HG1       LYS  51  -8.711  -3.108  -3.734
  377   1HD   LYS  51          HD2       LYS  51  -9.737  -4.815  -4.904
  378   2HD   LYS  51          HD1       LYS  51 -10.703  -5.325  -3.518
  379   1HE   LYS  51          HE2       LYS  51 -11.241  -2.611  -4.674
  380   2HE   LYS  51          HE1       LYS  51 -11.850  -4.035  -5.541
  381   1HZ   LYS  51          HZ1       LYS  51 -12.212  -3.577  -2.628
  382   2HZ   LYS  51          HZ2       LYS  51 -12.898  -4.821  -3.560
  383   3HZ   LYS  51          HZ3       LYS  51 -13.388  -3.211  -3.794
  384    H    THR  52           HN       THR  52  -5.061  -5.237  -3.265
  385    HA   THR  52           HA       THR  52  -4.154  -4.247  -0.622
  386    HB   THR  52           HB       THR  52  -3.379  -6.956  -1.746
  387    HG1  THR  52           HG1      THR  52  -5.084  -7.623  -0.759
  388   1HG2  THR  52          HG21      THR  52  -2.650  -7.012   0.842
  389   2HG2  THR  52          HG22      THR  52  -2.466  -5.287   0.538
  390   3HG2  THR  52          HG23      THR  52  -1.569  -6.452  -0.433
  391    H    PHE  53           HN       PHE  53  -2.874  -2.590  -1.419
  392    HA   PHE  53           HA       PHE  53  -1.380  -2.658  -3.881
  393   1HB   PHE  53          HB2       PHE  53  -1.095  -1.048  -1.316
  394   2HB   PHE  53          HB1       PHE  53  -0.256  -0.664  -2.819
  395    HD1  PHE  53           HD1      PHE  53  -1.484   0.144  -4.785
  396    HD2  PHE  53           HD2      PHE  53  -3.507  -0.725  -1.097
  397    HE1  PHE  53           HE1      PHE  53  -3.484   1.367  -5.593
  398    HE2  PHE  53           HE2      PHE  53  -5.506   0.498  -1.903
  399    HZ   PHE  53           HZ       PHE  53  -5.495   1.545  -4.152
  400    H    THR  54           HN       THR  54   0.468  -3.847  -4.273
  401    HA   THR  54           HA       THR  54   2.019  -4.803  -1.880
  402    HB   THR  54           HB       THR  54   1.650  -5.988  -4.645
  403    HG1  THR  54           HG1      THR  54   0.602  -6.763  -2.131
  404   1HG2  THR  54          HG21      THR  54   3.729  -6.471  -2.927
  405   2HG2  THR  54          HG22      THR  54   3.102  -7.643  -4.084
  406   3HG2  THR  54          HG23      THR  54   2.557  -7.681  -2.408
  407    H    VAL  55           HN       VAL  55   3.696  -3.196  -1.777
  408    HA   VAL  55           HA       VAL  55   5.299  -2.745  -4.214
  409    HB   VAL  55           HB       VAL  55   4.539  -0.793  -2.819
  410   1HG1  VAL  55          HG11      VAL  55   5.418  -0.404  -0.645
  411   2HG1  VAL  55          HG12      VAL  55   6.552  -1.754  -0.803
  412   3HG1  VAL  55          HG13      VAL  55   4.826  -2.070  -0.625
  413   1HG2  VAL  55          HG21      VAL  55   6.621  -0.756  -4.232
  414   2HG2  VAL  55          HG22      VAL  55   7.536  -1.152  -2.777
  415   3HG2  VAL  55          HG23      VAL  55   6.646   0.365  -2.872
  416    H    THR  56           HN       THR  56   7.731  -2.797  -3.851
  417    HA   THR  56           HA       THR  56   8.755  -4.501  -1.692
  418    HB   THR  56           HB       THR  56   8.617  -5.376  -4.592
  419    HG1  THR  56           HG1      THR  56   6.732  -5.938  -3.780
  420   1HG2  THR  56          HG21      THR  56   9.455  -7.567  -3.239
  421   2HG2  THR  56          HG22      THR  56  10.219  -6.307  -2.271
  422   3HG2  THR  56          HG23      THR  56  10.565  -6.425  -3.996
  423    H    GLU  57           HN       GLU  57  10.501  -3.164  -1.240
  424    HA   GLU  57           HA       GLU  57  11.921  -1.613  -3.230
  425   1HB   GLU  57          HB2       GLU  57  11.633  -1.519  -0.557
  426   2HB   GLU  57          HB1       GLU  57  13.176  -2.372  -0.629
  427   1HG   GLU  57          HG2       GLU  57  14.172  -0.600  -1.936
  428   2HG   GLU  57          HG1       GLU  57  12.615   0.209  -2.112
  Start of MODEL   23
    1   1H    MET   1          HT1       MET   1 -16.973  -0.424   4.451
    2   2H    MET   1          HT2       MET   1 -17.399  -0.078   2.843
    3   3H    MET   1          HT3       MET   1 -17.737   1.043   4.075
    4    HA   MET   1           HA       MET   1 -15.820   1.813   2.861
    5   1HB   MET   1          HB2       MET   1 -15.396   0.621   5.615
    6   2HB   MET   1          HB1       MET   1 -14.248   1.735   4.872
    7   1HG   MET   1          HG2       MET   1 -16.389   3.224   4.493
    8   2HG   MET   1          HG1       MET   1 -17.052   2.253   5.808
    9   1HE   MET   1          HE1       MET   1 -15.767   3.594   8.886
   10   2HE   MET   1          HE2       MET   1 -16.447   2.200   8.051
   11   3HE   MET   1          HE3       MET   1 -17.212   3.778   7.881
   12    H    THR   2           HN       THR   2 -13.731   1.358   1.984
   13    HA   THR   2           HA       THR   2 -13.157  -1.550   1.608
   14    HB   THR   2           HB       THR   2 -11.985   0.815   0.130
   15    HG1  THR   2           HG1      THR   2 -13.731   0.792  -1.176
   16   1HG2  THR   2          HG21      THR   2 -12.399  -2.119  -0.461
   17   2HG2  THR   2          HG22      THR   2 -10.874  -1.237  -0.374
   18   3HG2  THR   2          HG23      THR   2 -11.987  -0.947  -1.713
   19    H    THR   3           HN       THR   3 -11.642  -2.293   3.038
   20    HA   THR   3           HA       THR   3  -9.585  -0.480   4.090
   21    HB   THR   3           HB       THR   3 -10.925  -1.837   5.628
   22    HG1  THR   3           HG1      THR   3  -9.194  -2.771   6.726
   23   1HG2  THR   3          HG21      THR   3 -10.414  -3.884   3.646
   24   2HG2  THR   3          HG22      THR   3 -11.568  -3.891   4.979
   25   3HG2  THR   3          HG23      THR   3  -9.914  -4.438   5.244
   26    H    PHE   4           HN       PHE   4  -8.413  -0.444   1.956
   27    HA   PHE   4           HA       PHE   4  -7.280  -2.779   0.740
   28   1HB   PHE   4          HB2       PHE   4  -6.382   0.119   0.882
   29   2HB   PHE   4          HB1       PHE   4  -5.691  -1.069  -0.220
   30    HD1  PHE   4           HD1      PHE   4  -7.109  -2.103  -1.995
   31    HD2  PHE   4           HD2      PHE   4  -8.537   1.095   0.493
   32    HE1  PHE   4           HE1      PHE   4  -8.952  -1.678  -3.599
   33    HE2  PHE   4           HE2      PHE   4 -10.381   1.519  -1.109
   34    HZ   PHE   4           HZ       PHE   4 -10.587   0.133  -3.155
   35    H    LYS   5           HN       LYS   5  -4.866  -3.291   0.797
   36    HA   LYS   5           HA       LYS   5  -3.631  -2.731   3.468
   37   1HB   LYS   5          HB2       LYS   5  -4.856  -4.890   3.470
   38   2HB   LYS   5          HB1       LYS   5  -3.899  -5.421   2.087
   39   1HG   LYS   5          HG2       LYS   5  -1.872  -5.395   3.365
   40   2HG   LYS   5          HG1       LYS   5  -2.651  -4.548   4.702
   41   1HD   LYS   5          HD2       LYS   5  -2.458  -6.899   5.288
   42   2HD   LYS   5          HD1       LYS   5  -4.159  -6.529   5.002
   43   1HE   LYS   5          HE2       LYS   5  -3.884  -7.374   2.643
   44   2HE   LYS   5          HE1       LYS   5  -2.249  -7.905   3.083
   45   1HZ   LYS   5          HZ1       LYS   5  -4.005  -9.628   3.415
   46   2HZ   LYS   5          HZ2       LYS   5  -4.684  -8.636   4.616
   47   3HZ   LYS   5          HZ3       LYS   5  -3.117  -9.262   4.813
   48    H    LEU   6           HN       LEU   6  -1.608  -1.919   3.122
   49    HA   LEU   6           HA       LEU   6  -0.225  -2.486   0.542
   50   1HB   LEU   6          HB2       LEU   6  -0.548  -0.150   1.191
   51   2HB   LEU   6          HB1       LEU   6   0.194  -0.453   2.761
   52    HG   LEU   6           HG       LEU   6   2.308  -1.118   1.538
   53   1HD1  LEU   6          HD11      LEU   6   0.640  -0.160  -0.786
   54   2HD1  LEU   6          HD12      LEU   6   1.552  -1.661  -0.638
   55   3HD1  LEU   6          HD13      LEU   6   2.404  -0.129  -0.843
   56   1HD2  LEU   6          HD21      LEU   6   2.525   1.017   2.401
   57   2HD2  LEU   6          HD22      LEU   6   1.111   1.623   1.535
   58   3HD2  LEU   6          HD23      LEU   6   2.636   1.389   0.680
   59    H    ILE   7           HN       ILE   7   1.539  -3.838   0.512
   60    HA   ILE   7           HA       ILE   7   2.463  -5.074   3.013
   61    HB   ILE   7           HB       ILE   7   2.074  -6.040   0.566
   62   1HG1  ILE   7          HG12      ILE   7   3.986  -7.714   1.080
   63   2HG1  ILE   7          HG11      ILE   7   4.227  -6.752   2.538
   64   1HG2  ILE   7          HG21      ILE   7   3.955  -6.103  -0.866
   65   2HG2  ILE   7          HG22      ILE   7   5.029  -5.463   0.376
   66   3HG2  ILE   7          HG23      ILE   7   3.828  -4.415  -0.376
   67   1HD1  ILE   7          HD11      ILE   7   1.540  -7.888   1.728
   68   2HD1  ILE   7          HD12      ILE   7   1.974  -7.161   3.274
   69   3HD1  ILE   7          HD13      ILE   7   2.653  -8.722   2.813
   70    H    ILE   8           HN       ILE   8   4.912  -5.107   3.457
   71    HA   ILE   8           HA       ILE   8   6.134  -2.478   2.673
   72    HB   ILE   8           HB       ILE   8   6.279  -3.983   5.311
   73   1HG1  ILE   8          HG12      ILE   8   4.977  -1.308   4.762
   74   2HG1  ILE   8          HG11      ILE   8   4.078  -2.823   4.671
   75   1HG2  ILE   8          HG21      ILE   8   7.167  -1.146   4.865
   76   2HG2  ILE   8          HG22      ILE   8   8.261  -2.473   4.477
   77   3HG2  ILE   8          HG23      ILE   8   7.660  -2.278   6.123
   78   1HD1  ILE   8          HD11      ILE   8   3.710  -2.337   6.891
   79   2HD1  ILE   8          HD12      ILE   8   5.217  -1.435   7.052
   80   3HD1  ILE   8          HD13      ILE   8   5.240  -3.199   7.056
   81    H    ASN   9           HN       ASN   9   7.056  -3.983   0.909
   82    HA   ASN   9           HA       ASN   9   9.237  -5.757   1.882
   83   1HB   ASN   9          HB2       ASN   9   7.455  -5.593  -0.388
   84   2HB   ASN   9          HB1       ASN   9   9.120  -5.576  -0.966
   85   1HD2  ASN   9          HD21      ASN   9   6.669  -7.696  -0.301
   86   2HD2  ASN   9          HD22      ASN   9   7.577  -9.065   0.124
   87    H    GLY  10           HN       GLY  10   9.660  -3.093   2.495
   88   1HA   GLY  10          HA2       GLY  10  11.552  -2.099   0.421
   89   2HA   GLY  10          HA1       GLY  10  10.826  -1.101   1.682
   90    H    LYS  11           HN       LYS  11  13.632  -1.275   1.168
   91    HA   LYS  11           HA       LYS  11  14.899  -3.029   3.124
   92   1HB   LYS  11          HB2       LYS  11  15.885  -2.126   0.980
   93   2HB   LYS  11          HB1       LYS  11  15.950  -0.539   1.746
   94   1HG   LYS  11          HG2       LYS  11  17.607  -1.177   3.245
   95   2HG   LYS  11          HG1       LYS  11  17.160  -2.882   3.172
   96   1HD   LYS  11          HD2       LYS  11  18.252  -1.479   0.740
   97   2HD   LYS  11          HD1       LYS  11  19.340  -2.131   1.965
   98   1HE   LYS  11          HE2       LYS  11  18.492  -4.367   1.651
   99   2HE   LYS  11          HE1       LYS  11  17.167  -3.777   0.628
  100   1HZ   LYS  11          HZ1       LYS  11  18.819  -2.882  -0.910
  101   2HZ   LYS  11          HZ2       LYS  11  18.994  -4.563  -0.739
  102   3HZ   LYS  11          HZ3       LYS  11  20.070  -3.509   0.047
  103    H    THR  12           HN       THR  12  13.079  -0.180   3.478
  104    HA   THR  12           HA       THR  12  14.650   0.806   5.805
  105    HB   THR  12           HB       THR  12  12.116   1.940   4.606
  106    HG1  THR  12           HG1      THR  12  13.347   2.953   3.110
  107   1HG2  THR  12          HG21      THR  12  13.398   2.705   6.818
  108   2HG2  THR  12          HG22      THR  12  12.669   3.879   5.722
  109   3HG2  THR  12          HG23      THR  12  14.401   3.555   5.642
  110    H    LEU  13           HN       LEU  13  11.469  -0.559   4.955
  111    HA   LEU  13           HA       LEU  13  11.030  -1.120   7.867
  112   1HB   LEU  13          HB2       LEU  13   9.634   0.723   6.151
  113   2HB   LEU  13          HB1       LEU  13   8.529  -0.557   6.648
  114    HG   LEU  13           HG       LEU  13   8.507   1.284   8.269
  115   1HD1  LEU  13          HD11      LEU  13   9.992  -0.964   9.598
  116   2HD1  LEU  13          HD12      LEU  13   8.376  -1.216   8.939
  117   3HD1  LEU  13          HD13      LEU  13   8.632  -0.026  10.214
  118   1HD2  LEU  13          HD21      LEU  13  11.276   0.691   9.177
  119   2HD2  LEU  13          HD22      LEU  13  10.381   2.210   9.224
  120   3HD2  LEU  13          HD23      LEU  13  11.105   1.661   7.713
  121    H    LYS  14           HN       LYS  14   9.362  -2.851   8.182
  122    HA   LYS  14           HA       LYS  14   8.793  -4.565   5.830
  123   1HB   LYS  14          HB2       LYS  14  11.101  -4.913   7.244
  124   2HB   LYS  14          HB1       LYS  14  10.007  -5.965   8.142
  125   1HG   LYS  14          HG2       LYS  14   9.776  -7.436   6.404
  126   2HG   LYS  14          HG1       LYS  14   9.847  -6.164   5.184
  127   1HD   LYS  14          HD2       LYS  14  12.314  -6.803   6.768
  128   2HD   LYS  14          HD1       LYS  14  11.852  -7.858   5.432
  129   1HE   LYS  14          HE2       LYS  14  11.766  -4.942   4.852
  130   2HE   LYS  14          HE1       LYS  14  13.379  -5.651   5.068
  131   1HZ   LYS  14          HZ1       LYS  14  12.751  -5.970   2.802
  132   2HZ   LYS  14          HZ2       LYS  14  11.234  -6.595   3.242
  133   3HZ   LYS  14          HZ3       LYS  14  12.648  -7.478   3.572
  134    H    GLY  15           HN       GLY  15   6.867  -5.691   6.121
  135   1HA   GLY  15          HA2       GLY  15   5.606  -6.956   8.038
  136   2HA   GLY  15          HA1       GLY  15   5.506  -5.342   8.742
  137    H    GLU  16           HN       GLU  16   3.289  -5.014   8.552
  138    HA   GLU  16           HA       GLU  16   2.265  -4.643   5.777
  139   1HB   GLU  16          HB2       GLU  16   1.445  -6.640   7.817
  140   2HB   GLU  16          HB1       GLU  16   0.129  -5.819   6.978
  141   1HG   GLU  16          HG2       GLU  16   0.635  -6.774   4.958
  142   2HG   GLU  16          HG1       GLU  16   2.370  -6.777   5.278
  143    H    THR  17           HN       THR  17   0.352  -3.252   5.730
  144    HA   THR  17           HA       THR  17  -0.356  -1.856   8.265
  145    HB   THR  17           HB       THR  17   0.608  -0.475   5.738
  146    HG1  THR  17           HG1      THR  17   2.460  -0.060   6.945
  147   1HG2  THR  17          HG21      THR  17  -0.997   0.844   7.040
  148   2HG2  THR  17          HG22      THR  17   0.621   1.530   7.196
  149   3HG2  THR  17          HG23      THR  17  -0.059   0.564   8.506
  150    H    THR  18           HN       THR  18  -2.513  -1.246   8.266
  151    HA   THR  18           HA       THR  18  -4.029  -1.555   5.692
  152    HB   THR  18           HB       THR  18  -5.896  -2.257   7.220
  153    HG1  THR  18           HG1      THR  18  -5.575  -2.323   9.331
  154   1HG2  THR  18          HG21      THR  18  -4.226  -3.862   6.164
  155   2HG2  THR  18          HG22      THR  18  -5.047  -4.461   7.606
  156   3HG2  THR  18          HG23      THR  18  -3.388  -3.872   7.716
  157    H    THR  19           HN       THR  19  -6.030  -0.188   5.608
  158    HA   THR  19           HA       THR  19  -6.105   2.175   7.393
  159    HB   THR  19           HB       THR  19  -4.427   2.711   5.668
  160    HG1  THR  19           HG1      THR  19  -5.476   4.574   4.873
  161   1HG2  THR  19          HG21      THR  19  -5.428   1.108   3.965
  162   2HG2  THR  19          HG22      THR  19  -4.931   2.674   3.324
  163   3HG2  THR  19          HG23      THR  19  -6.636   2.348   3.632
  164    H    GLU  20           HN       GLU  20  -7.819   3.750   5.942
  165    HA   GLU  20           HA       GLU  20 -10.140   1.977   5.278
  166   1HB   GLU  20          HB2       GLU  20 -11.547   3.539   6.582
  167   2HB   GLU  20          HB1       GLU  20 -10.275   2.850   7.588
  168   1HG   GLU  20          HG2       GLU  20  -8.901   4.932   7.068
  169   2HG   GLU  20          HG1       GLU  20 -10.366   5.618   6.368
  170    H    ALA  21           HN       ALA  21 -10.856   2.441   3.250
  171    HA   ALA  21           HA       ALA  21 -10.952   5.256   2.312
  172   1HB   ALA  21          HB1       ALA  21  -8.755   3.725   1.799
  173   2HB   ALA  21          HB2       ALA  21  -9.323   4.998   0.719
  174   3HB   ALA  21          HB3       ALA  21  -9.760   3.318   0.408
  175    H    VAL  22           HN       VAL  22 -12.317   5.463   0.377
  176    HA   VAL  22           HA       VAL  22 -14.542   3.574   0.353
  177    HB   VAL  22           HB       VAL  22 -14.816   6.011   0.120
  178   1HG1  VAL  22          HG11      VAL  22 -14.158   6.955  -2.205
  179   2HG1  VAL  22          HG12      VAL  22 -13.060   5.581  -2.294
  180   3HG1  VAL  22          HG13      VAL  22 -12.885   6.766  -1.002
  181   1HG2  VAL  22          HG21      VAL  22 -16.565   4.703  -0.881
  182   2HG2  VAL  22          HG22      VAL  22 -15.576   4.355  -2.299
  183   3HG2  VAL  22          HG23      VAL  22 -16.179   5.989  -2.025
  184    H    ASP  23           HN       ASP  23 -11.652   4.086  -1.569
  185    HA   ASP  23           HA       ASP  23 -11.955   1.560  -2.946
  186   1HB   ASP  23          HB2       ASP  23 -12.253   2.576  -5.229
  187   2HB   ASP  23          HB1       ASP  23 -13.648   2.791  -4.177
  188    H    ALA  24           HN       ALA  24 -10.261   1.582  -4.909
  189    HA   ALA  24           HA       ALA  24  -7.680   2.010  -3.870
  190   1HB   ALA  24          HB1       ALA  24  -8.027   0.502  -5.685
  191   2HB   ALA  24          HB2       ALA  24  -7.059   1.815  -6.356
  192   3HB   ALA  24          HB3       ALA  24  -8.794   1.751  -6.667
  193    H    ALA  25           HN       ALA  25  -9.824   4.238  -5.520
  194    HA   ALA  25           HA       ALA  25  -7.975   6.186  -6.458
  195   1HB   ALA  25          HB1       ALA  25  -9.897   7.444  -6.792
  196   2HB   ALA  25          HB2       ALA  25 -10.583   6.994  -5.231
  197   3HB   ALA  25          HB3       ALA  25 -10.622   5.851  -6.574
  198    H    THR  26           HN       THR  26  -9.129   5.494  -3.211
  199    HA   THR  26           HA       THR  26  -7.709   7.917  -2.167
  200    HB   THR  26           HB       THR  26  -9.773   6.086  -0.898
  201    HG1  THR  26           HG1      THR  26 -10.914   7.168  -2.335
  202   1HG2  THR  26          HG21      THR  26  -9.710   7.432   0.963
  203   2HG2  THR  26          HG22      THR  26  -9.243   8.862   0.042
  204   3HG2  THR  26          HG23      THR  26  -8.038   7.637   0.438
  205    H    ALA  27           HN       ALA  27  -7.846   4.403  -2.057
  206    HA   ALA  27           HA       ALA  27  -6.291   3.890   0.275
  207   1HB   ALA  27          HB1       ALA  27  -6.462   1.738  -0.486
  208   2HB   ALA  27          HB2       ALA  27  -5.874   2.159  -2.094
  209   3HB   ALA  27          HB3       ALA  27  -7.561   2.447  -1.668
  210    H    GLU  28           HN       GLU  28  -5.178   4.021  -3.136
  211    HA   GLU  28           HA       GLU  28  -2.383   3.831  -2.605
  212   1HB   GLU  28          HB2       GLU  28  -3.684   3.631  -4.797
  213   2HB   GLU  28          HB1       GLU  28  -3.704   5.396  -4.839
  214   1HG   GLU  28          HG2       GLU  28  -1.158   5.278  -4.552
  215   2HG   GLU  28          HG1       GLU  28  -1.304   3.561  -4.928
  216    H    LYS  29           HN       LYS  29  -4.487   6.714  -2.880
  217    HA   LYS  29           HA       LYS  29  -2.487   8.724  -2.680
  218   1HB   LYS  29          HB2       LYS  29  -5.387   8.485  -1.907
  219   2HB   LYS  29          HB1       LYS  29  -4.498   9.971  -1.579
  220   1HG   LYS  29          HG2       LYS  29  -3.964  10.256  -3.916
  221   2HG   LYS  29          HG1       LYS  29  -4.621   8.666  -4.308
  222   1HD   LYS  29          HD2       LYS  29  -6.374  10.117  -4.900
  223   2HD   LYS  29          HD1       LYS  29  -6.833   9.582  -3.283
  224   1HE   LYS  29          HE2       LYS  29  -6.275  11.633  -2.301
  225   2HE   LYS  29          HE1       LYS  29  -5.151  12.062  -3.606
  226   1HZ   LYS  29          HZ1       LYS  29  -6.991  12.244  -5.128
  227   2HZ   LYS  29          HZ2       LYS  29  -7.286  13.247  -3.788
  228   3HZ   LYS  29          HZ3       LYS  29  -8.090  11.756  -3.931
  229    H    VAL  30           HN       VAL  30  -4.097   6.815  -0.171
  230    HA   VAL  30           HA       VAL  30  -2.819   8.275   2.041
  231    HB   VAL  30           HB       VAL  30  -4.456   5.720   1.845
  232   1HG1  VAL  30          HG11      VAL  30  -3.415   5.506   3.925
  233   2HG1  VAL  30          HG12      VAL  30  -4.873   6.406   4.348
  234   3HG1  VAL  30          HG13      VAL  30  -3.334   7.250   4.176
  235   1HG2  VAL  30          HG21      VAL  30  -5.536   7.903   1.136
  236   2HG2  VAL  30          HG22      VAL  30  -5.288   8.478   2.785
  237   3HG2  VAL  30          HG23      VAL  30  -6.332   7.088   2.483
  238    H    PHE  31           HN       PHE  31  -2.595   4.979   0.649
  239    HA   PHE  31           HA       PHE  31  -0.431   4.098   2.319
  240   1HB   PHE  31          HB2       PHE  31  -1.742   3.273  -0.243
  241   2HB   PHE  31          HB1       PHE  31  -0.205   2.519   0.179
  242    HD1  PHE  31           HD1      PHE  31  -3.534   1.891   0.309
  243    HD2  PHE  31           HD2      PHE  31  -0.194   2.149   2.995
  244    HE1  PHE  31           HE1      PHE  31  -4.700   0.394   1.904
  245    HE2  PHE  31           HE2      PHE  31  -1.360   0.651   4.591
  246    HZ   PHE  31           HZ       PHE  31  -3.614  -0.226   4.044
  247    H    LYS  32           HN       LYS  32  -0.509   5.765  -0.819
  248    HA   LYS  32           HA       LYS  32   2.275   5.499  -1.456
  249   1HB   LYS  32          HB2       LYS  32   0.459   6.219  -3.007
  250   2HB   LYS  32          HB1       LYS  32   0.317   7.730  -2.107
  251   1HG   LYS  32          HG2       LYS  32   2.888   7.939  -2.563
  252   2HG   LYS  32          HG1       LYS  32   2.575   6.775  -3.849
  253   1HD   LYS  32          HD2       LYS  32   0.534   8.779  -3.983
  254   2HD   LYS  32          HD1       LYS  32   2.087   9.604  -3.852
  255   1HE   LYS  32          HE2       LYS  32   2.956   8.221  -5.742
  256   2HE   LYS  32          HE1       LYS  32   1.345   7.494  -5.911
  257   1HZ   LYS  32          HZ1       LYS  32   1.490   9.387  -7.363
  258   2HZ   LYS  32          HZ2       LYS  32   2.016  10.384  -6.092
  259   3HZ   LYS  32          HZ3       LYS  32   0.434   9.765  -6.091
  260    H    GLN  33           HN       GLN  33   0.444   7.967   0.352
  261    HA   GLN  33           HA       GLN  33   2.582   9.787   0.850
  262   1HB   GLN  33          HB2       GLN  33   0.143  10.186   1.207
  263   2HB   GLN  33          HB1       GLN  33   0.192   9.081   2.581
  264   1HG   GLN  33          HG2       GLN  33   0.488  11.125   3.654
  265   2HG   GLN  33          HG1       GLN  33   2.164  10.649   3.379
  266   1HE2  GLN  33          HE21      GLN  33   3.440  12.081   2.167
  267   2HE2  GLN  33          HE22      GLN  33   2.831  13.392   1.278
  268    H    TYR  34           HN       TYR  34   1.682   6.780   2.348
  269    HA   TYR  34           HA       TYR  34   3.363   7.031   4.708
  270   1HB   TYR  34          HB2       TYR  34   1.575   5.542   4.943
  271   2HB   TYR  34          HB1       TYR  34   1.723   4.941   3.297
  272    HD1  TYR  34           HD1      TYR  34   3.044   3.016   2.801
  273    HD2  TYR  34           HD2      TYR  34   3.210   4.808   6.695
  274    HE1  TYR  34           HE1      TYR  34   4.311   1.058   3.640
  275    HE2  TYR  34           HE2      TYR  34   4.483   2.851   7.544
  276    HH   TYR  34           HH       TYR  34   6.116   0.979   6.145
  277    H    ALA  35           HN       ALA  35   3.651   5.106   1.694
  278    HA   ALA  35           HA       ALA  35   6.337   4.207   2.158
  279   1HB   ALA  35          HB1       ALA  35   4.386   4.383  -0.089
  280   2HB   ALA  35          HB2       ALA  35   5.265   2.980   0.524
  281   3HB   ALA  35          HB3       ALA  35   6.076   4.139  -0.530
  282    H    ASN  36           HN       ASN  36   5.049   6.973   0.295
  283    HA   ASN  36           HA       ASN  36   7.454   7.963  -0.785
  284   1HB   ASN  36          HB2       ASN  36   5.091   8.685  -1.262
  285   2HB   ASN  36          HB1       ASN  36   5.102   9.556   0.272
  286   1HD2  ASN  36          HD21      ASN  36   5.532  10.074  -2.975
  287   2HD2  ASN  36          HD22      ASN  36   6.593  11.397  -2.916
  288    H    ASP  37           HN       ASP  37   6.033   8.469   2.427
  289    HA   ASP  37           HA       ASP  37   8.004  10.435   3.287
  290   1HB   ASP  37          HB2       ASP  37   5.545   9.774   4.086
  291   2HB   ASP  37          HB1       ASP  37   6.440   8.715   5.177
  292    H    ASN  38           HN       ASN  38   7.468   6.973   4.055
  293    HA   ASN  38           HA       ASN  38   9.840   6.652   5.653
  294   1HB   ASN  38          HB2       ASN  38   7.901   4.882   4.186
  295   2HB   ASN  38          HB1       ASN  38   9.351   4.170   4.894
  296   1HD2  ASN  38          HD21      ASN  38   6.743   6.481   5.865
  297   2HD2  ASN  38          HD22      ASN  38   6.605   5.881   7.447
  298    H    GLY  39           HN       GLY  39   9.161   5.844   2.232
  299   1HA   GLY  39          HA2       GLY  39  11.017   6.494   0.625
  300   2HA   GLY  39          HA1       GLY  39  12.116   5.730   1.774
  301    H    ILE  40           HN       ILE  40   9.074   4.869   0.071
  302    HA   ILE  40           HA       ILE  40  10.354   2.248  -0.627
  303    HB   ILE  40           HB       ILE  40   7.521   2.821   0.304
  304   1HG1  ILE  40          HG12      ILE  40   9.759   1.226   1.593
  305   2HG1  ILE  40          HG11      ILE  40   9.299   2.862   2.064
  306   1HG2  ILE  40          HG21      ILE  40   7.607   0.178   0.370
  307   2HG2  ILE  40          HG22      ILE  40   8.853   0.391  -0.858
  308   3HG2  ILE  40          HG23      ILE  40   7.221   1.005  -1.141
  309   1HD1  ILE  40          HD11      ILE  40   7.335   0.561   2.037
  310   2HD1  ILE  40          HD12      ILE  40   7.132   2.145   2.787
  311   3HD1  ILE  40          HD13      ILE  40   8.282   0.989   3.462
  312    H    ASP  41           HN       ASP  41  10.800   3.492  -2.686
  313    HA   ASP  41           HA       ASP  41   8.408   3.936  -4.409
  314   1HB   ASP  41          HB2       ASP  41  10.628   5.410  -4.011
  315   2HB   ASP  41          HB1       ASP  41  11.216   4.388  -5.324
  316    H    GLY  42           HN       GLY  42   9.037   1.244  -3.677
  317   1HA   GLY  42          HA2       GLY  42  10.654  -0.127  -5.595
  318   2HA   GLY  42          HA1       GLY  42   9.389  -0.863  -4.607
  319    H    GLU  43           HN       GLU  43   8.241  -2.019  -6.070
  320    HA   GLU  43           HA       GLU  43   7.143  -0.580  -8.413
  321   1HB   GLU  43          HB2       GLU  43   7.142  -2.808  -9.532
  322   2HB   GLU  43          HB1       GLU  43   8.761  -2.324  -9.034
  323   1HG   GLU  43          HG2       GLU  43   7.629  -3.702  -6.823
  324   2HG   GLU  43          HG1       GLU  43   7.247  -4.657  -8.251
  325    H    TRP  44           HN       TRP  44   5.183   0.021  -7.593
  326    HA   TRP  44           HA       TRP  44   3.643  -1.497  -5.753
  327   1HB   TRP  44          HB2       TRP  44   3.152   0.835  -7.577
  328   2HB   TRP  44          HB1       TRP  44   1.849   0.172  -6.581
  329    HD1  TRP  44           HD1      TRP  44   5.521   1.303  -6.112
  330    HE1  TRP  44           HE1      TRP  44   5.727   2.373  -3.772
  331    HE3  TRP  44           HE3      TRP  44   0.747   0.656  -4.418
  332    HZ2  TRP  44           HZ2      TRP  44   4.091   2.854  -1.486
  333    HZ3  TRP  44           HZ3      TRP  44   0.098   1.433  -2.156
  334    HH2  TRP  44           HH2      TRP  44   1.763   2.539  -0.689
  335    H    THR  45           HN       THR  45   1.941  -2.825  -5.993
  336    HA   THR  45           HA       THR  45   0.787  -3.420  -8.643
  337    HB   THR  45           HB       THR  45   1.254  -5.904  -8.125
  338    HG1  THR  45           HG1      THR  45   3.295  -4.739  -6.544
  339   1HG2  THR  45          HG21      THR  45   3.752  -4.294  -8.643
  340   2HG2  THR  45          HG22      THR  45   2.444  -4.375  -9.824
  341   3HG2  THR  45          HG23      THR  45   3.285  -5.847  -9.338
  342    H    TYR  46           HN       TYR  46  -1.368  -3.791  -8.322
  343    HA   TYR  46           HA       TYR  46  -2.309  -4.112  -5.512
  344   1HB   TYR  46          HB2       TYR  46  -3.165  -2.174  -6.592
  345   2HB   TYR  46          HB1       TYR  46  -3.419  -3.024  -8.110
  346    HD1  TYR  46           HD1      TYR  46  -5.332  -4.565  -8.385
  347    HD2  TYR  46           HD2      TYR  46  -4.810  -2.252  -4.804
  348    HE1  TYR  46           HE1      TYR  46  -7.692  -4.991  -7.764
  349    HE2  TYR  46           HE2      TYR  46  -7.164  -2.675  -4.184
  350    HH   TYR  46           HH       TYR  46  -9.285  -3.265  -5.314
  351    H    ASP  47           HN       ASP  47  -3.184  -6.047  -4.902
  352    HA   ASP  47           HA       ASP  47  -3.645  -8.146  -6.962
  353   1HB   ASP  47          HB2       ASP  47  -3.115  -8.000  -4.010
  354   2HB   ASP  47          HB1       ASP  47  -3.877  -9.449  -4.666
  355    H    ASP  48           HN       ASP  48  -5.726  -8.018  -7.755
  356    HA   ASP  48           HA       ASP  48  -7.992  -6.972  -6.328
  357   1HB   ASP  48          HB2       ASP  48  -7.493  -7.388  -8.869
  358   2HB   ASP  48          HB1       ASP  48  -8.166  -8.988  -8.557
  359    H    ALA  49           HN       ALA  49  -6.459 -10.105  -6.285
  360    HA   ALA  49           HA       ALA  49  -8.547 -11.857  -5.643
  361   1HB   ALA  49          HB1       ALA  49  -6.376 -12.727  -5.987
  362   2HB   ALA  49          HB2       ALA  49  -6.650 -12.970  -4.262
  363   3HB   ALA  49          HB3       ALA  49  -5.658 -11.621  -4.815
  364    H    THR  50           HN       THR  50  -6.811  -9.596  -3.508
  365    HA   THR  50           HA       THR  50  -9.023  -9.817  -1.531
  366    HB   THR  50           HB       THR  50  -7.352 -10.232   0.268
  367    HG1  THR  50           HG1      THR  50  -5.263 -10.453  -0.215
  368   1HG2  THR  50          HG21      THR  50  -8.522 -12.101  -1.005
  369   2HG2  THR  50          HG22      THR  50  -7.021 -12.555  -0.197
  370   3HG2  THR  50          HG23      THR  50  -7.036 -12.275  -1.939
  371    H    LYS  51           HN       LYS  51  -7.671  -7.730  -3.410
  372    HA   LYS  51           HA       LYS  51  -7.088  -5.441  -3.323
  373   1HB   LYS  51          HB2       LYS  51  -9.234  -6.079  -1.506
  374   2HB   LYS  51          HB1       LYS  51  -8.273  -4.775  -0.812
  375   1HG   LYS  51          HG2       LYS  51  -9.536  -3.435  -2.146
  376   2HG   LYS  51          HG1       LYS  51  -8.437  -3.966  -3.419
  377   1HD   LYS  51          HD2       LYS  51 -10.660  -4.334  -4.247
  378   2HD   LYS  51          HD1       LYS  51 -10.022  -5.920  -3.809
  379   1HE   LYS  51          HE2       LYS  51 -11.139  -5.494  -1.494
  380   2HE   LYS  51          HE1       LYS  51 -12.070  -4.250  -2.351
  381   1HZ   LYS  51          HZ1       LYS  51 -13.081  -6.523  -2.411
  382   2HZ   LYS  51          HZ2       LYS  51 -11.754  -7.029  -3.344
  383   3HZ   LYS  51          HZ3       LYS  51 -12.807  -5.833  -3.936
  384    H    THR  52           HN       THR  52  -4.786  -5.703  -2.975
  385    HA   THR  52           HA       THR  52  -3.888  -4.752  -0.326
  386    HB   THR  52           HB       THR  52  -3.003  -7.406  -1.501
  387    HG1  THR  52           HG1      THR  52  -4.318  -8.316  -0.068
  388   1HG2  THR  52          HG21      THR  52  -2.449  -6.551   1.305
  389   2HG2  THR  52          HG22      THR  52  -1.475  -5.835   0.021
  390   3HG2  THR  52          HG23      THR  52  -1.499  -7.585   0.238
  391    H    PHE  53           HN       PHE  53  -2.744  -3.007  -1.145
  392    HA   PHE  53           HA       PHE  53  -1.298  -2.933  -3.624
  393   1HB   PHE  53          HB2       PHE  53  -1.137  -1.391  -1.017
  394   2HB   PHE  53          HB1       PHE  53  -0.188  -0.950  -2.436
  395    HD1  PHE  53           HD1      PHE  53  -1.233  -0.008  -4.414
  396    HD2  PHE  53           HD2      PHE  53  -3.597  -1.210  -1.036
  397    HE1  PHE  53           HE1      PHE  53  -3.182   1.213  -5.343
  398    HE2  PHE  53           HE2      PHE  53  -5.546   0.011  -1.961
  399    HZ   PHE  53           HZ       PHE  53  -5.337   1.224  -4.117
  400    H    THR  54           HN       THR  54   0.806  -3.624  -4.101
  401    HA   THR  54           HA       THR  54   2.435  -4.660  -1.787
  402    HB   THR  54           HB       THR  54   2.037  -5.857  -4.545
  403    HG1  THR  54           HG1      THR  54   0.220  -6.250  -3.447
  404   1HG2  THR  54          HG21      THR  54   3.613  -7.414  -4.036
  405   2HG2  THR  54          HG22      THR  54   3.128  -7.488  -2.342
  406   3HG2  THR  54          HG23      THR  54   4.198  -6.201  -2.898
  407    H    VAL  55           HN       VAL  55   4.059  -3.019  -1.734
  408    HA   VAL  55           HA       VAL  55   5.476  -2.431  -4.259
  409    HB   VAL  55           HB       VAL  55   4.619  -0.520  -2.867
  410   1HG1  VAL  55          HG11      VAL  55   6.786  -1.284  -0.928
  411   2HG1  VAL  55          HG12      VAL  55   5.096  -1.720  -0.664
  412   3HG1  VAL  55          HG13      VAL  55   5.565  -0.016  -0.740
  413   1HG2  VAL  55          HG21      VAL  55   7.634  -0.651  -2.963
  414   2HG2  VAL  55          HG22      VAL  55   6.631   0.795  -3.031
  415   3HG2  VAL  55          HG23      VAL  55   6.622  -0.346  -4.374
  416    H    THR  56           HN       THR  56   7.897  -2.293  -4.040
  417    HA   THR  56           HA       THR  56   9.220  -3.797  -1.905
  418    HB   THR  56           HB       THR  56   8.857  -4.874  -4.716
  419    HG1  THR  56           HG1      THR  56   7.828  -6.566  -3.615
  420   1HG2  THR  56          HG21      THR  56  11.161  -5.252  -3.767
  421   2HG2  THR  56          HG22      THR  56  10.265  -6.740  -4.077
  422   3HG2  THR  56          HG23      THR  56  10.408  -6.123  -2.431
  423    H    GLU  57           HN       GLU  57  11.041  -2.483  -1.701
  424    HA   GLU  57           HA       GLU  57  12.417  -1.624  -4.228
  425   1HB   GLU  57          HB2       GLU  57  13.054   0.412  -2.948
  426   2HB   GLU  57          HB1       GLU  57  11.305   0.230  -3.061
  427   1HG   GLU  57          HG2       GLU  57  11.077  -0.317  -0.818
  428   2HG   GLU  57          HG1       GLU  57  12.711  -0.967  -0.703
  Start of MODEL   24
    1   1H    MET   1          HT1       MET   1  17.275  -1.756   0.197
    2   2H    MET   1          HT2       MET   1  17.392  -3.273   0.952
    3   3H    MET   1          HT3       MET   1  17.458  -1.850   1.880
    4    HA   MET   1           HA       MET   1  15.077  -2.609   0.274
    5   1HB   MET   1          HB2       MET   1  14.211  -3.475   2.447
    6   2HB   MET   1          HB1       MET   1  15.628  -4.368   1.899
    7   1HG   MET   1          HG2       MET   1  17.065  -3.074   3.400
    8   2HG   MET   1          HG1       MET   1  15.690  -2.090   3.903
    9   1HE   MET   1          HE1       MET   1  16.838  -5.555   3.222
   10   2HE   MET   1          HE2       MET   1  16.398  -6.541   4.614
   11   3HE   MET   1          HE3       MET   1  17.718  -5.382   4.746
   12    H    THR   2           HN       THR   2  13.436  -1.086   0.499
   13    HA   THR   2           HA       THR   2  14.078   1.340   2.132
   14    HB   THR   2           HB       THR   2  13.943   1.610  -0.309
   15    HG1  THR   2           HG1      THR   2  13.127   3.449   0.217
   16   1HG2  THR   2          HG21      THR   2  11.272   1.382  -0.958
   17   2HG2  THR   2          HG22      THR   2  11.545  -0.031   0.062
   18   3HG2  THR   2          HG23      THR   2  12.527   0.218  -1.381
   19    H    THR   3           HN       THR   3  11.653   2.513   2.392
   20    HA   THR   3           HA       THR   3   9.910   0.482   3.665
   21    HB   THR   3           HB       THR   3  10.586   3.241   4.706
   22    HG1  THR   3           HG1      THR   3  11.938   2.148   6.127
   23   1HG2  THR   3          HG21      THR   3   9.645   2.249   6.831
   24   2HG2  THR   3          HG22      THR   3   9.107   0.871   5.871
   25   3HG2  THR   3          HG23      THR   3   8.461   2.479   5.544
   26    H    PHE   4           HN       PHE   4   8.325   0.537   2.003
   27    HA   PHE   4           HA       PHE   4   7.277   3.054   0.944
   28   1HB   PHE   4          HB2       PHE   4   6.408   0.149   0.817
   29   2HB   PHE   4          HB1       PHE   4   5.620   1.439  -0.089
   30    HD1  PHE   4           HD1      PHE   4   7.067   2.856  -1.673
   31    HD2  PHE   4           HD2      PHE   4   8.365  -0.880   0.003
   32    HE1  PHE   4           HE1      PHE   4   8.793   2.659  -3.444
   33    HE2  PHE   4           HE2      PHE   4  10.090  -1.075  -1.767
   34    HZ   PHE   4           HZ       PHE   4  10.304   0.695  -3.491
   35    H    LYS   5           HN       LYS   5   4.830   3.470   1.142
   36    HA   LYS   5           HA       LYS   5   3.731   2.642   3.798
   37   1HB   LYS   5          HB2       LYS   5   4.563   5.319   2.815
   38   2HB   LYS   5          HB1       LYS   5   3.027   5.264   3.681
   39   1HG   LYS   5          HG2       LYS   5   4.095   4.191   5.593
   40   2HG   LYS   5          HG1       LYS   5   5.627   4.102   4.723
   41   1HD   LYS   5          HD2       LYS   5   5.237   6.724   4.481
   42   2HD   LYS   5          HD1       LYS   5   4.272   6.475   5.936
   43   1HE   LYS   5          HE2       LYS   5   6.352   5.150   6.808
   44   2HE   LYS   5          HE1       LYS   5   7.227   6.034   5.542
   45   1HZ   LYS   5          HZ1       LYS   5   5.435   7.296   7.548
   46   2HZ   LYS   5          HZ2       LYS   5   6.380   8.099   6.387
   47   3HZ   LYS   5          HZ3       LYS   5   7.126   7.264   7.665
   48    H    LEU   6           HN       LEU   6   1.818   1.671   3.245
   49    HA   LEU   6           HA       LEU   6   0.281   2.623   0.891
   50   1HB   LEU   6          HB2       LEU   6   0.694   0.229   1.160
   51   2HB   LEU   6          HB1       LEU   6   0.024   0.265   2.790
   52    HG   LEU   6           HG       LEU   6  -2.166   1.038   1.771
   53   1HD1  LEU   6          HD11      LEU   6  -2.357   0.399  -0.712
   54   2HD1  LEU   6          HD12      LEU   6  -0.593   0.457  -0.739
   55   3HD1  LEU   6          HD13      LEU   6  -1.519   1.903  -0.338
   56   1HD2  LEU   6          HD21      LEU   6  -2.431  -1.347   0.560
   57   2HD2  LEU   6          HD22      LEU   6  -2.329  -1.192   2.315
   58   3HD2  LEU   6          HD23      LEU   6  -0.896  -1.630   1.382
   59    H    ILE   7           HN       ILE   7  -1.336   4.108   1.207
   60    HA   ILE   7           HA       ILE   7  -2.248   4.841   3.872
   61    HB   ILE   7           HB       ILE   7  -2.010   6.172   1.583
   62   1HG1  ILE   7          HG12      ILE   7  -3.842   7.738   2.427
   63   2HG1  ILE   7          HG11      ILE   7  -4.161   6.529   3.671
   64   1HG2  ILE   7          HG21      ILE   7  -3.910   4.554   0.649
   65   2HG2  ILE   7          HG22      ILE   7  -3.814   6.242   0.149
   66   3HG2  ILE   7          HG23      ILE   7  -4.963   5.756   1.395
   67   1HD1  ILE   7          HD11      ILE   7  -2.091   6.839   4.695
   68   2HD1  ILE   7          HD12      ILE   7  -2.449   8.476   4.147
   69   3HD1  ILE   7          HD13      ILE   7  -1.343   7.459   3.224
   70    H    ILE   8           HN       ILE   8  -4.694   4.742   4.392
   71    HA   ILE   8           HA       ILE   8  -5.888   2.229   3.266
   72    HB   ILE   8           HB       ILE   8  -5.882   3.197   6.142
   73   1HG1  ILE   8          HG12      ILE   8  -4.452   0.812   4.932
   74   2HG1  ILE   8          HG11      ILE   8  -3.665   2.360   5.243
   75   1HG2  ILE   8          HG21      ILE   8  -6.774   0.540   4.995
   76   2HG2  ILE   8          HG22      ILE   8  -7.881   1.855   5.385
   77   3HG2  ILE   8          HG23      ILE   8  -6.938   1.089   6.662
   78   1HD1  ILE   8          HD11      ILE   8  -4.673   2.053   7.658
   79   2HD1  ILE   8          HD12      ILE   8  -3.189   1.210   7.213
   80   3HD1  ILE   8          HD13      ILE   8  -4.729   0.350   7.202
   81    H    ASN   9           HN       ASN   9  -6.985   4.010   1.897
   82    HA   ASN   9           HA       ASN   9  -9.118   5.485   3.353
   83   1HB   ASN   9          HB2       ASN   9  -7.684   5.624   0.770
   84   2HB   ASN   9          HB1       ASN   9  -9.399   6.012   0.666
   85   1HD2  ASN   9          HD21      ASN   9  -7.732   8.121   0.158
   86   2HD2  ASN   9          HD22      ASN   9  -7.675   9.194   1.472
   87    H    GLY  10           HN       GLY  10  -9.488   2.780   3.555
   88   1HA   GLY  10          HA2       GLY  10 -11.603   2.158   1.534
   89   2HA   GLY  10          HA1       GLY  10 -10.647   0.925   2.364
   90    H    LYS  11           HN       LYS  11 -13.575   1.253   2.342
   91    HA   LYS  11           HA       LYS  11 -14.461   2.315   4.881
   92   1HB   LYS  11          HB2       LYS  11 -16.541   1.084   4.282
   93   2HB   LYS  11          HB1       LYS  11 -15.917   2.018   2.923
   94   1HG   LYS  11          HG2       LYS  11 -15.110   0.099   1.816
   95   2HG   LYS  11          HG1       LYS  11 -15.145  -0.876   3.285
   96   1HD   LYS  11          HD2       LYS  11 -17.755  -0.233   3.143
   97   2HD   LYS  11          HD1       LYS  11 -17.359  -0.169   1.426
   98   1HE   LYS  11          HE2       LYS  11 -17.440  -2.431   1.337
   99   2HE   LYS  11          HE1       LYS  11 -16.128  -2.523   2.528
  100   1HZ   LYS  11          HZ1       LYS  11 -18.262  -3.546   3.277
  101   2HZ   LYS  11          HZ2       LYS  11 -18.964  -1.999   3.239
  102   3HZ   LYS  11          HZ3       LYS  11 -17.679  -2.326   4.302
  103    H    THR  12           HN       THR  12 -12.684  -0.522   4.115
  104    HA   THR  12           HA       THR  12 -13.771  -2.129   6.342
  105    HB   THR  12           HB       THR  12 -11.374  -2.654   4.568
  106    HG1  THR  12           HG1      THR  12 -12.736  -3.368   3.043
  107   1HG2  THR  12          HG21      THR  12 -12.080  -4.070   6.664
  108   2HG2  THR  12          HG22      THR  12 -11.643  -4.891   5.166
  109   3HG2  THR  12          HG23      THR  12 -13.341  -4.677   5.591
  110    H    LEU  13           HN       LEU  13 -10.907  -0.172   5.565
  111    HA   LEU  13           HA       LEU  13 -10.100  -0.357   8.439
  112   1HB   LEU  13          HB2       LEU  13  -8.546  -1.131   5.980
  113   2HB   LEU  13          HB1       LEU  13  -7.697  -0.588   7.428
  114    HG   LEU  13           HG       LEU  13  -9.740  -2.826   7.394
  115   1HD1  LEU  13          HD11      LEU  13  -6.806  -3.249   7.834
  116   2HD1  LEU  13          HD12      LEU  13  -7.397  -3.084   6.180
  117   3HD1  LEU  13          HD13      LEU  13  -8.017  -4.372   7.214
  118   1HD2  LEU  13          HD21      LEU  13  -8.285  -3.207   9.618
  119   2HD2  LEU  13          HD22      LEU  13  -9.703  -2.158   9.603
  120   3HD2  LEU  13          HD23      LEU  13  -8.088  -1.460   9.473
  121    H    LYS  14           HN       LYS  14  -8.241   1.278   8.841
  122    HA   LYS  14           HA       LYS  14  -8.158   3.592   7.010
  123   1HB   LYS  14          HB2       LYS  14  -9.799   3.389   9.476
  124   2HB   LYS  14          HB1       LYS  14  -8.886   4.886   9.288
  125   1HG   LYS  14          HG2       LYS  14  -9.833   4.881   6.858
  126   2HG   LYS  14          HG1       LYS  14 -11.022   3.747   7.499
  127   1HD   LYS  14          HD2       LYS  14 -11.218   5.569   9.423
  128   2HD   LYS  14          HD1       LYS  14 -10.614   6.638   8.156
  129   1HE   LYS  14          HE2       LYS  14 -12.853   6.788   7.628
  130   2HE   LYS  14          HE1       LYS  14 -12.527   5.269   6.770
  131   1HZ   LYS  14          HZ1       LYS  14 -14.365   4.967   8.295
  132   2HZ   LYS  14          HZ2       LYS  14 -13.425   5.532   9.593
  133   3HZ   LYS  14          HZ3       LYS  14 -13.030   4.067   8.828
  134    H    GLY  15           HN       GLY  15  -6.256   4.767   7.329
  135   1HA   GLY  15          HA2       GLY  15  -4.641   5.594   9.144
  136   2HA   GLY  15          HA1       GLY  15  -4.525   3.896   9.607
  137    H    GLU  16           HN       GLU  16  -2.474   3.310   9.007
  138    HA   GLU  16           HA       GLU  16  -1.828   3.205   6.147
  139   1HB   GLU  16          HB2       GLU  16   0.220   4.600   6.414
  140   2HB   GLU  16          HB1       GLU  16  -1.250   5.520   6.725
  141   1HG   GLU  16          HG2       GLU  16  -0.902   5.521   9.058
  142   2HG   GLU  16          HG1       GLU  16   0.233   4.174   8.980
  143    H    THR  17           HN       THR  17   0.300   2.065   5.816
  144    HA   THR  17           HA       THR  17   1.199   0.495   8.200
  145    HB   THR  17           HB       THR  17   0.439  -0.592   5.468
  146    HG1  THR  17           HG1      THR  17  -1.430  -0.223   6.471
  147   1HG2  THR  17          HG21      THR  17   1.551  -1.831   7.979
  148   2HG2  THR  17          HG22      THR  17   2.112  -2.018   6.317
  149   3HG2  THR  17          HG23      THR  17   0.610  -2.786   6.833
  150    H    THR  18           HN       THR  18   3.315  -0.606   7.760
  151    HA   THR  18           HA       THR  18   4.903   0.662   5.560
  152    HB   THR  18           HB       THR  18   6.713   0.934   7.329
  153    HG1  THR  18           HG1      THR  18   6.197  -0.181   9.046
  154   1HG2  THR  18          HG21      THR  18   5.799   2.997   8.172
  155   2HG2  THR  18          HG22      THR  18   4.148   2.424   7.933
  156   3HG2  THR  18          HG23      THR  18   5.171   2.773   6.540
  157    H    THR  19           HN       THR  19   6.911  -0.566   5.095
  158    HA   THR  19           HA       THR  19   7.401  -3.165   6.304
  159    HB   THR  19           HB       THR  19   5.321  -3.633   5.073
  160    HG1  THR  19           HG1      THR  19   6.252  -5.451   4.685
  161   1HG2  THR  19          HG21      THR  19   6.788  -2.919   2.531
  162   2HG2  THR  19          HG22      THR  19   5.772  -1.754   3.380
  163   3HG2  THR  19          HG23      THR  19   5.067  -3.240   2.743
  164    H    GLU  20           HN       GLU  20   9.379  -4.053   5.536
  165    HA   GLU  20           HA       GLU  20  11.118  -2.194   4.078
  166   1HB   GLU  20          HB2       GLU  20  11.423  -4.908   5.382
  167   2HB   GLU  20          HB1       GLU  20  12.762  -4.103   4.561
  168   1HG   GLU  20          HG2       GLU  20  12.623  -2.205   6.057
  169   2HG   GLU  20          HG1       GLU  20  11.149  -2.836   6.793
  170    H    ALA  21           HN       ALA  21  11.624  -2.345   1.897
  171    HA   ALA  21           HA       ALA  21  11.318  -4.925   0.475
  172   1HB   ALA  21          HB1       ALA  21   9.727  -3.862  -1.149
  173   2HB   ALA  21          HB2       ALA  21   9.665  -2.445  -0.100
  174   3HB   ALA  21          HB3       ALA  21   9.060  -3.998   0.478
  175    H    VAL  22           HN       VAL  22  12.683  -5.008  -1.318
  176    HA   VAL  22           HA       VAL  22  14.811  -3.163  -1.621
  177    HB   VAL  22           HB       VAL  22  15.215  -4.468  -3.685
  178   1HG1  VAL  22          HG11      VAL  22  15.577  -6.545  -2.624
  179   2HG1  VAL  22          HG12      VAL  22  14.155  -6.359  -1.598
  180   3HG1  VAL  22          HG13      VAL  22  15.590  -5.376  -1.304
  181   1HG2  VAL  22          HG21      VAL  22  13.206  -4.853  -4.770
  182   2HG2  VAL  22          HG22      VAL  22  12.341  -5.176  -3.268
  183   3HG2  VAL  22          HG23      VAL  22  13.408  -6.402  -3.951
  184    H    ASP  23           HN       ASP  23  11.639  -3.312  -3.181
  185    HA   ASP  23           HA       ASP  23  11.785  -0.536  -4.020
  186   1HB   ASP  23          HB2       ASP  23  11.763  -1.065  -6.477
  187   2HB   ASP  23          HB1       ASP  23  13.277  -1.493  -5.686
  188    H    ALA  24           HN       ALA  24   9.836  -0.168  -5.678
  189    HA   ALA  24           HA       ALA  24   7.414  -0.827  -4.409
  190   1HB   ALA  24          HB1       ALA  24   6.483   0.394  -6.143
  191   2HB   ALA  24          HB2       ALA  24   7.491  -0.384  -7.363
  192   3HB   ALA  24          HB3       ALA  24   8.172   0.869  -6.325
  193    H    ALA  25           HN       ALA  25   9.282  -2.674  -6.724
  194    HA   ALA  25           HA       ALA  25   7.297  -4.402  -7.799
  195   1HB   ALA  25          HB1       ALA  25  10.037  -5.376  -7.047
  196   2HB   ALA  25          HB2       ALA  25   9.887  -4.056  -8.207
  197   3HB   ALA  25          HB3       ALA  25   9.145  -5.619  -8.548
  198    H    THR  26           HN       THR  26   9.035  -4.526  -4.708
  199    HA   THR  26           HA       THR  26   7.685  -7.077  -3.982
  200    HB   THR  26           HB       THR  26   9.664  -5.450  -2.375
  201    HG1  THR  26           HG1      THR  26  10.217  -7.402  -4.355
  202   1HG2  THR  26          HG21      THR  26   8.589  -8.229  -2.366
  203   2HG2  THR  26          HG22      THR  26   9.034  -7.191  -1.012
  204   3HG2  THR  26          HG23      THR  26  10.287  -8.017  -1.938
  205    H    ALA  27           HN       ALA  27   7.612  -3.639  -3.275
  206    HA   ALA  27           HA       ALA  27   6.228  -3.734  -0.753
  207   1HB   ALA  27          HB1       ALA  27   5.767  -1.525  -2.706
  208   2HB   ALA  27          HB2       ALA  27   7.434  -1.841  -2.227
  209   3HB   ALA  27          HB3       ALA  27   6.226  -1.437  -1.006
  210    H    GLU  28           HN       GLU  28   4.933  -2.971  -4.013
  211    HA   GLU  28           HA       GLU  28   2.173  -3.002  -3.337
  212   1HB   GLU  28          HB2       GLU  28   3.581  -2.384  -5.506
  213   2HB   GLU  28          HB1       GLU  28   3.152  -4.029  -5.980
  214   1HG   GLU  28          HG2       GLU  28   0.735  -3.390  -5.357
  215   2HG   GLU  28          HG1       GLU  28   1.305  -1.721  -5.365
  216    H    LYS  29           HN       LYS  29   4.268  -5.692  -4.434
  217    HA   LYS  29           HA       LYS  29   2.299  -7.717  -4.684
  218   1HB   LYS  29          HB2       LYS  29   5.203  -7.701  -3.844
  219   2HB   LYS  29          HB1       LYS  29   4.304  -9.202  -4.066
  220   1HG   LYS  29          HG2       LYS  29   3.705  -8.413  -6.383
  221   2HG   LYS  29          HG1       LYS  29   4.807  -7.057  -6.144
  222   1HD   LYS  29          HD2       LYS  29   6.699  -8.498  -5.956
  223   2HD   LYS  29          HD1       LYS  29   5.682  -9.929  -5.791
  224   1HE   LYS  29          HE2       LYS  29   5.004  -9.836  -8.086
  225   2HE   LYS  29          HE1       LYS  29   5.666  -8.201  -8.284
  226   1HZ   LYS  29          HZ1       LYS  29   7.262  -9.750  -9.127
  227   2HZ   LYS  29          HZ2       LYS  29   7.187 -10.690  -7.714
  228   3HZ   LYS  29          HZ3       LYS  29   7.864  -9.132  -7.668
  229    H    VAL  30           HN       VAL  30   4.057  -6.600  -1.798
  230    HA   VAL  30           HA       VAL  30   2.755  -8.532  -0.015
  231    HB   VAL  30           HB       VAL  30   4.467  -6.054   0.405
  232   1HG1  VAL  30          HG11      VAL  30   3.419  -8.126   2.342
  233   2HG1  VAL  30          HG12      VAL  30   3.317  -6.368   2.463
  234   3HG1  VAL  30          HG13      VAL  30   4.868  -7.180   2.684
  235   1HG2  VAL  30          HG21      VAL  30   5.279  -8.932   0.791
  236   2HG2  VAL  30          HG22      VAL  30   6.307  -7.522   0.541
  237   3HG2  VAL  30          HG23      VAL  30   5.365  -8.174  -0.799
  238    H    PHE  31           HN       PHE  31   2.589  -4.983  -0.496
  239    HA   PHE  31           HA       PHE  31   0.499  -4.485   1.386
  240   1HB   PHE  31          HB2       PHE  31   1.687  -3.127  -1.007
  241   2HB   PHE  31          HB1       PHE  31   0.194  -2.474  -0.335
  242    HD1  PHE  31           HD1      PHE  31   0.365  -2.751   2.495
  243    HD2  PHE  31           HD2      PHE  31   3.530  -1.901  -0.281
  244    HE1  PHE  31           HE1      PHE  31   1.658  -1.657   4.305
  245    HE2  PHE  31           HE2      PHE  31   4.823  -0.810   1.531
  246    HZ   PHE  31           HZ       PHE  31   3.888  -0.687   3.824
  247    H    LYS  32           HN       LYS  32   0.428  -5.598  -1.964
  248    HA   LYS  32           HA       LYS  32  -2.365  -5.138  -2.475
  249   1HB   LYS  32          HB2       LYS  32  -0.198  -6.940  -3.544
  250   2HB   LYS  32          HB1       LYS  32  -1.857  -7.160  -4.095
  251   1HG   LYS  32          HG2       LYS  32  -0.835  -4.368  -4.076
  252   2HG   LYS  32          HG1       LYS  32  -0.151  -5.447  -5.292
  253   1HD   LYS  32          HD2       LYS  32  -2.563  -6.100  -5.855
  254   2HD   LYS  32          HD1       LYS  32  -3.054  -4.711  -4.883
  255   1HE   LYS  32          HE2       LYS  32  -1.597  -3.252  -6.318
  256   2HE   LYS  32          HE1       LYS  32  -1.288  -4.659  -7.355
  257   1HZ   LYS  32          HZ1       LYS  32  -3.637  -4.922  -7.706
  258   2HZ   LYS  32          HZ2       LYS  32  -3.206  -3.329  -8.112
  259   3HZ   LYS  32          HZ3       LYS  32  -3.991  -3.651  -6.640
  260    H    GLN  33           HN       GLN  33  -0.548  -7.920  -1.187
  261    HA   GLN  33           HA       GLN  33  -2.761  -9.700  -0.830
  262   1HB   GLN  33          HB2       GLN  33  -0.354 -10.317  -0.780
  263   2HB   GLN  33          HB1       GLN  33  -0.167  -9.414   0.724
  264   1HG   GLN  33          HG2       GLN  33  -0.467 -11.659   1.423
  265   2HG   GLN  33          HG1       GLN  33  -2.052 -10.917   1.645
  266   1HE2  GLN  33          HE21      GLN  33  -3.694 -12.240   0.875
  267   2HE2  GLN  33          HE22      GLN  33  -3.572 -13.274  -0.466
  268    H    TYR  34           HN       TYR  34  -1.490  -7.069   1.062
  269    HA   TYR  34           HA       TYR  34  -2.966  -7.588   3.504
  270   1HB   TYR  34          HB2       TYR  34  -1.032  -6.246   3.689
  271   2HB   TYR  34          HB1       TYR  34  -1.421  -5.315   2.249
  272    HD1  TYR  34           HD1      TYR  34  -2.232  -5.834   5.824
  273    HD2  TYR  34           HD2      TYR  34  -2.832  -3.371   2.360
  274    HE1  TYR  34           HE1      TYR  34  -3.277  -4.087   7.247
  275    HE2  TYR  34           HE2      TYR  34  -3.874  -1.624   3.774
  276    HH   TYR  34           HH       TYR  34  -5.175  -1.905   6.377
  277    H    ALA  35           HN       ALA  35  -3.447  -5.308   0.781
  278    HA   ALA  35           HA       ALA  35  -6.023  -4.355   1.691
  279   1HB   ALA  35          HB1       ALA  35  -4.281  -4.193  -0.725
  280   2HB   ALA  35          HB2       ALA  35  -5.031  -2.892   0.205
  281   3HB   ALA  35          HB3       ALA  35  -5.989  -3.814  -0.955
  282    H    ASN  36           HN       ASN  36  -5.020  -6.806  -0.703
  283    HA   ASN  36           HA       ASN  36  -7.566  -7.502  -1.710
  284   1HB   ASN  36          HB2       ASN  36  -5.339  -8.182  -2.602
  285   2HB   ASN  36          HB1       ASN  36  -5.151  -9.271  -1.227
  286   1HD2  ASN  36          HD21      ASN  36  -6.179  -9.191  -4.429
  287   2HD2  ASN  36          HD22      ASN  36  -7.181 -10.561  -4.416
  288    H    ASP  37           HN       ASP  37  -5.838  -8.661   1.171
  289    HA   ASP  37           HA       ASP  37  -7.755 -10.721   1.867
  290   1HB   ASP  37          HB2       ASP  37  -5.321 -10.484   2.572
  291   2HB   ASP  37          HB1       ASP  37  -5.845  -9.207   3.671
  292    H    ASN  38           HN       ASN  38  -7.143  -7.450   3.204
  293    HA   ASN  38           HA       ASN  38  -9.418  -7.443   4.972
  294   1HB   ASN  38          HB2       ASN  38  -7.771  -5.240   3.684
  295   2HB   ASN  38          HB1       ASN  38  -8.918  -4.975   4.998
  296   1HD2  ASN  38          HD21      ASN  38  -5.750  -5.010   4.716
  297   2HD2  ASN  38          HD22      ASN  38  -5.279  -5.879   6.096
  298    H    GLY  39           HN       GLY  39  -8.907  -5.973   1.743
  299   1HA   GLY  39          HA2       GLY  39 -10.858  -6.310   0.149
  300   2HA   GLY  39          HA1       GLY  39 -11.880  -5.770   1.481
  301    H    ILE  40           HN       ILE  40  -8.921  -4.604  -0.194
  302    HA   ILE  40           HA       ILE  40 -10.210  -1.897  -0.290
  303    HB   ILE  40           HB       ILE  40  -7.322  -2.669   0.249
  304   1HG1  ILE  40          HG12      ILE  40  -9.407  -1.295   1.977
  305   2HG1  ILE  40          HG11      ILE  40  -8.937  -2.988   2.125
  306   1HG2  ILE  40          HG21      ILE  40  -7.268  -0.089   0.763
  307   2HG2  ILE  40          HG22      ILE  40  -8.665  -0.028  -0.308
  308   3HG2  ILE  40          HG23      ILE  40  -7.115  -0.625  -0.913
  309   1HD1  ILE  40          HD11      ILE  40  -7.802  -1.219   3.678
  310   2HD1  ILE  40          HD12      ILE  40  -6.845  -0.828   2.249
  311   3HD1  ILE  40          HD13      ILE  40  -6.798  -2.457   2.923
  312    H    ASP  41           HN       ASP  41 -10.835  -3.027  -2.476
  313    HA   ASP  41           HA       ASP  41  -8.666  -3.027  -4.497
  314   1HB   ASP  41          HB2       ASP  41 -10.976  -4.472  -4.092
  315   2HB   ASP  41          HB1       ASP  41 -11.499  -3.305  -5.306
  316    H    GLY  42           HN       GLY  42  -8.828  -0.524  -3.461
  317   1HA   GLY  42          HA2       GLY  42 -10.740   1.141  -4.919
  318   2HA   GLY  42          HA1       GLY  42  -9.482   1.706  -3.817
  319    H    GLU  43           HN       GLU  43  -8.510   3.221  -5.094
  320    HA   GLU  43           HA       GLU  43  -7.444   2.339  -7.711
  321   1HB   GLU  43          HB2       GLU  43  -7.356   4.809  -8.186
  322   2HB   GLU  43          HB1       GLU  43  -8.983   4.215  -7.873
  323   1HG   GLU  43          HG2       GLU  43  -9.214   5.599  -6.111
  324   2HG   GLU  43          HG1       GLU  43  -7.734   4.992  -5.377
  325    H    TRP  44           HN       TRP  44  -5.376   1.679  -7.432
  326    HA   TRP  44           HA       TRP  44  -3.732   2.659  -5.271
  327   1HB   TRP  44          HB2       TRP  44  -3.454   0.716  -7.537
  328   2HB   TRP  44          HB1       TRP  44  -2.061   1.128  -6.529
  329    HD1  TRP  44           HD1      TRP  44  -5.708  -0.074  -6.108
  330    HE1  TRP  44           HE1      TRP  44  -5.820  -1.551  -3.993
  331    HE3  TRP  44           HE3      TRP  44  -0.889   0.356  -4.471
  332    HZ2  TRP  44           HZ2      TRP  44  -4.096  -2.412  -1.885
  333    HZ3  TRP  44           HZ3      TRP  44  -0.151  -0.804  -2.409
  334    HH2  TRP  44           HH2      TRP  44  -1.748  -2.192  -1.115
  335    H    THR  45           HN       THR  45  -1.961   3.939  -5.363
  336    HA   THR  45           HA       THR  45  -0.871   4.958  -7.892
  337    HB   THR  45           HB       THR  45  -1.325   7.350  -6.946
  338    HG1  THR  45           HG1      THR  45  -2.945   7.504  -5.522
  339   1HG2  THR  45          HG21      THR  45  -2.406   6.092  -8.955
  340   2HG2  THR  45          HG22      THR  45  -3.211   7.530  -8.327
  341   3HG2  THR  45          HG23      THR  45  -3.801   5.927  -7.888
  342    H    TYR  46           HN       TYR  46   1.284   5.282  -7.533
  343    HA   TYR  46           HA       TYR  46   2.228   5.274  -4.698
  344   1HB   TYR  46          HB2       TYR  46   3.025   3.397  -5.904
  345   2HB   TYR  46          HB1       TYR  46   3.274   4.330  -7.373
  346    HD1  TYR  46           HD1      TYR  46   5.247   5.767  -7.637
  347    HD2  TYR  46           HD2      TYR  46   4.701   3.366  -4.118
  348    HE1  TYR  46           HE1      TYR  46   7.634   6.078  -7.051
  349    HE2  TYR  46           HE2      TYR  46   7.078   3.674  -3.535
  350    HH   TYR  46           HH       TYR  46   9.081   5.976  -5.132
  351    H    ASP  47           HN       ASP  47   3.720   6.866  -4.023
  352    HA   ASP  47           HA       ASP  47   4.133   9.171  -5.901
  353   1HB   ASP  47          HB2       ASP  47   2.572   9.403  -3.893
  354   2HB   ASP  47          HB1       ASP  47   3.999   9.212  -2.874
  355    H    ASP  48           HN       ASP  48   6.253   9.192  -6.528
  356    HA   ASP  48           HA       ASP  48   8.380   7.843  -5.120
  357   1HB   ASP  48          HB2       ASP  48   9.767   8.966  -6.850
  358   2HB   ASP  48          HB1       ASP  48   8.319   8.242  -7.548
  359    H    ALA  49           HN       ALA  49   7.040  11.072  -4.913
  360    HA   ALA  49           HA       ALA  49   9.154  12.597  -3.902
  361   1HB   ALA  49          HB1       ALA  49   7.401  13.973  -2.956
  362   2HB   ALA  49          HB2       ALA  49   6.292  12.603  -2.906
  363   3HB   ALA  49          HB3       ALA  49   6.785  13.282  -4.457
  364    H    THR  50           HN       THR  50   7.116  10.242  -2.190
  365    HA   THR  50           HA       THR  50   9.114  10.168   0.015
  366    HB   THR  50           HB       THR  50   7.266  10.442   1.663
  367    HG1  THR  50           HG1      THR  50   5.534   9.778   0.442
  368   1HG2  THR  50          HG21      THR  50   8.624  12.388   0.758
  369   2HG2  THR  50          HG22      THR  50   7.048  12.817   1.423
  370   3HG2  THR  50          HG23      THR  50   7.272  12.723  -0.324
  371    H    LYS  51           HN       LYS  51   7.774   8.362  -2.222
  372    HA   LYS  51           HA       LYS  51   7.105   6.105  -2.427
  373   1HB   LYS  51          HB2       LYS  51   9.199   6.441  -0.442
  374   2HB   LYS  51          HB1       LYS  51   8.202   5.044  -0.042
  375   1HG   LYS  51          HG2       LYS  51   9.503   3.938  -1.536
  376   2HG   LYS  51          HG1       LYS  51   8.515   4.739  -2.756
  377   1HD   LYS  51          HD2       LYS  51  10.128   6.590  -2.872
  378   2HD   LYS  51          HD1       LYS  51  11.102   5.834  -1.611
  379   1HE   LYS  51          HE2       LYS  51  10.806   3.789  -3.480
  380   2HE   LYS  51          HE1       LYS  51  11.023   5.240  -4.478
  381   1HZ   LYS  51          HZ1       LYS  51  12.747   4.346  -2.231
  382   2HZ   LYS  51          HZ2       LYS  51  12.885   5.861  -2.987
  383   3HZ   LYS  51          HZ3       LYS  51  13.176   4.438  -3.869
  384    H    THR  52           HN       THR  52   4.805   6.321  -2.104
  385    HA   THR  52           HA       THR  52   3.839   5.134   0.423
  386    HB   THR  52           HB       THR  52   3.016   7.910  -0.484
  387    HG1  THR  52           HG1      THR  52   4.532   7.091   1.766
  388   1HG2  THR  52          HG21      THR  52   1.305   6.453   0.718
  389   2HG2  THR  52          HG22      THR  52   1.681   7.990   1.498
  390   3HG2  THR  52          HG23      THR  52   2.385   6.494   2.112
  391    H    PHE  53           HN       PHE  53   2.697   3.495  -0.616
  392    HA   PHE  53           HA       PHE  53   1.236   3.774  -3.085
  393   1HB   PHE  53          HB2       PHE  53   1.150   1.851  -0.741
  394   2HB   PHE  53          HB1       PHE  53   0.154   1.624  -2.179
  395    HD1  PHE  53           HD1      PHE  53   1.196   1.205  -4.383
  396    HD2  PHE  53           HD2      PHE  53   3.541   1.502  -0.797
  397    HE1  PHE  53           HE1      PHE  53   3.120   0.167  -5.555
  398    HE2  PHE  53           HE2      PHE  53   5.465   0.465  -1.967
  399    HZ   PHE  53           HZ       PHE  53   5.254  -0.204  -4.348
  400    H    THR  54           HN       THR  54  -0.882   4.510  -3.416
  401    HA   THR  54           HA       THR  54  -2.451   5.196  -0.939
  402    HB   THR  54           HB       THR  54  -2.209   6.733  -3.539
  403    HG1  THR  54           HG1      THR  54  -1.045   8.182  -2.122
  404   1HG2  THR  54          HG21      THR  54  -4.307   6.850  -1.876
  405   2HG2  THR  54          HG22      THR  54  -3.665   8.288  -2.670
  406   3HG2  THR  54          HG23      THR  54  -3.219   7.929  -1.002
  407    H    VAL  55           HN       VAL  55  -4.017   3.503  -1.036
  408    HA   VAL  55           HA       VAL  55  -5.594   3.284  -3.531
  409    HB   VAL  55           HB       VAL  55  -4.597   1.185  -2.573
  410   1HG1  VAL  55          HG11      VAL  55  -6.568   1.598  -0.337
  411   2HG1  VAL  55          HG12      VAL  55  -4.841   1.926  -0.173
  412   3HG1  VAL  55          HG13      VAL  55  -5.399   0.280  -0.499
  413   1HG2  VAL  55          HG21      VAL  55  -6.577  -0.150  -2.811
  414   2HG2  VAL  55          HG22      VAL  55  -6.735   1.224  -3.905
  415   3HG2  VAL  55          HG23      VAL  55  -7.607   1.211  -2.372
  416    H    THR  56           HN       THR  56  -8.005   3.008  -3.118
  417    HA   THR  56           HA       THR  56  -9.104   4.143  -0.645
  418    HB   THR  56           HB       THR  56  -9.146   5.585  -3.313
  419    HG1  THR  56           HG1      THR  56  -7.889   7.076  -2.266
  420   1HG2  THR  56          HG21      THR  56 -11.157   6.322  -2.515
  421   2HG2  THR  56          HG22      THR  56 -10.146   7.361  -1.511
  422   3HG2  THR  56          HG23      THR  56 -10.783   5.852  -0.857
  423    H    GLU  57           HN       GLU  57 -10.766   2.669  -0.412
  424    HA   GLU  57           HA       GLU  57 -12.115   1.432  -2.691
  425   1HB   GLU  57          HB2       GLU  57 -11.583   0.581  -0.260
  426   2HB   GLU  57          HB1       GLU  57 -13.089   1.401   0.156
  427   1HG   GLU  57          HG2       GLU  57 -12.942  -0.530  -2.159
  428   2HG   GLU  57          HG1       GLU  57 -13.245  -1.090  -0.514
  Start of MODEL   25
    1   1H    MET   1          HT1       MET   1  17.457   0.157   3.243
    2   2H    MET   1          HT2       MET   1  17.808  -0.530   1.729
    3   3H    MET   1          HT3       MET   1  18.100  -1.410   3.153
    4    HA   MET   1           HA       MET   1  16.052  -2.114   1.934
    5   1HB   MET   1          HB2       MET   1  14.786  -2.195   4.079
    6   2HB   MET   1          HB1       MET   1  16.496  -2.556   4.313
    7   1HG   MET   1          HG2       MET   1  16.925  -0.307   5.111
    8   2HG   MET   1          HG1       MET   1  15.281   0.193   4.713
    9   1HE   MET   1          HE1       MET   1  17.378  -0.958   7.905
   10   2HE   MET   1          HE2       MET   1  16.109   0.072   8.563
   11   3HE   MET   1          HE3       MET   1  16.940   0.546   7.083
   12    H    THR   2           HN       THR   2  13.909  -1.528   1.317
   13    HA   THR   2           HA       THR   2  13.387   1.424   1.251
   14    HB   THR   2           HB       THR   2  12.435  -0.820  -0.560
   15    HG1  THR   2           HG1      THR   2  14.284  -0.574  -1.483
   16   1HG2  THR   2          HG21      THR   2  12.199   2.194  -0.702
   17   2HG2  THR   2          HG22      THR   2  10.884   1.022  -0.617
   18   3HG2  THR   2          HG23      THR   2  11.880   1.126  -2.070
   19    H    THR   3           HN       THR   3  11.891   1.914   2.818
   20    HA   THR   3           HA       THR   3   9.812  -0.031   3.546
   21    HB   THR   3           HB       THR   3  10.551   2.666   4.708
   22    HG1  THR   3           HG1      THR   3  11.695   1.401   6.214
   23   1HG2  THR   3          HG21      THR   3   9.151   0.391   6.105
   24   2HG2  THR   3          HG22      THR   3   8.245   1.592   5.184
   25   3HG2  THR   3          HG23      THR   3   9.218   2.091   6.568
   26    H    PHE   4           HN       PHE   4   8.331   0.143   1.775
   27    HA   PHE   4           HA       PHE   4   7.404   2.689   0.733
   28   1HB   PHE   4          HB2       PHE   4   6.344  -0.151   0.617
   29   2HB   PHE   4          HB1       PHE   4   5.693   1.177  -0.340
   30    HD1  PHE   4           HD1      PHE   4   7.185   2.363  -1.989
   31    HD2  PHE   4           HD2      PHE   4   8.370  -1.242   0.022
   32    HE1  PHE   4           HE1      PHE   4   8.972   2.010  -3.673
   33    HE2  PHE   4           HE2      PHE   4  10.156  -1.596  -1.660
   34    HZ   PHE   4           HZ       PHE   4  10.456   0.030  -3.508
   35    H    LYS   5           HN       LYS   5   5.021   3.305   0.884
   36    HA   LYS   5           HA       LYS   5   3.856   2.648   3.569
   37   1HB   LYS   5          HB2       LYS   5   4.584   5.254   2.280
   38   2HB   LYS   5          HB1       LYS   5   3.174   5.212   3.339
   39   1HG   LYS   5          HG2       LYS   5   4.448   4.550   5.212
   40   2HG   LYS   5          HG1       LYS   5   5.803   4.024   4.213
   41   1HD   LYS   5          HD2       LYS   5   4.965   6.899   4.101
   42   2HD   LYS   5          HD1       LYS   5   5.905   6.342   5.486
   43   1HE   LYS   5          HE2       LYS   5   7.798   5.958   4.219
   44   2HE   LYS   5          HE1       LYS   5   6.864   5.537   2.769
   45   1HZ   LYS   5          HZ1       LYS   5   6.155   7.863   2.623
   46   2HZ   LYS   5          HZ2       LYS   5   7.844   7.718   2.502
   47   3HZ   LYS   5          HZ3       LYS   5   7.135   8.250   3.952
   48    H    LEU   6           HN       LEU   6   1.906   1.690   3.145
   49    HA   LEU   6           HA       LEU   6   0.410   2.344   0.668
   50   1HB   LEU   6          HB2       LEU   6   0.971   0.039   1.924
   51   2HB   LEU   6          HB1       LEU   6  -0.513   0.430   2.772
   52    HG   LEU   6           HG       LEU   6  -0.100  -0.438  -0.045
   53   1HD1  LEU   6          HD11      LEU   6  -2.642  -1.076   0.638
   54   2HD1  LEU   6          HD12      LEU   6  -1.935  -0.899   2.243
   55   3HD1  LEU   6          HD13      LEU   6  -1.245  -2.048   1.097
   56   1HD2  LEU   6          HD21      LEU   6  -1.002   1.666  -0.691
   57   2HD2  LEU   6          HD22      LEU   6  -2.087   1.726   0.698
   58   3HD2  LEU   6          HD23      LEU   6  -2.406   0.602  -0.624
   59    H    ILE   7           HN       ILE   7  -0.931   4.147   0.883
   60    HA   ILE   7           HA       ILE   7  -1.946   5.117   3.393
   61    HB   ILE   7           HB       ILE   7  -1.654   6.143   0.932
   62   1HG1  ILE   7          HG12      ILE   7  -3.290   7.946   1.628
   63   2HG1  ILE   7          HG11      ILE   7  -3.738   6.911   2.984
   64   1HG2  ILE   7          HG21      ILE   7  -3.531   6.210  -0.426
   65   2HG2  ILE   7          HG22      ILE   7  -4.638   5.880   0.904
   66   3HG2  ILE   7          HG23      ILE   7  -3.667   4.576   0.221
   67   1HD1  ILE   7          HD11      ILE   7  -1.804   7.334   4.106
   68   2HD1  ILE   7          HD12      ILE   7  -1.707   8.747   3.056
   69   3HD1  ILE   7          HD13      ILE   7  -0.827   7.277   2.638
   70    H    ILE   8           HN       ILE   8  -4.472   5.225   3.763
   71    HA   ILE   8           HA       ILE   8  -5.706   2.617   2.953
   72    HB   ILE   8           HB       ILE   8  -5.690   3.890   5.709
   73   1HG1  ILE   8          HG12      ILE   8  -4.329   1.360   4.726
   74   2HG1  ILE   8          HG11      ILE   8  -3.500   2.896   4.980
   75   1HG2  ILE   8          HG21      ILE   8  -7.742   2.572   5.103
   76   2HG2  ILE   8          HG22      ILE   8  -6.821   1.873   6.433
   77   3HG2  ILE   8          HG23      ILE   8  -6.702   1.176   4.818
   78   1HD1  ILE   8          HD11      ILE   8  -3.618   1.037   6.900
   79   2HD1  ILE   8          HD12      ILE   8  -5.155   1.838   7.229
   80   3HD1  ILE   8          HD13      ILE   8  -3.652   2.760   7.277
   81    H    ASN   9           HN       ASN   9  -6.755   4.220   1.382
   82    HA   ASN   9           HA       ASN   9  -8.851   5.928   2.630
   83   1HB   ASN   9          HB2       ASN   9  -7.261   5.877   0.196
   84   2HB   ASN   9          HB1       ASN   9  -8.974   5.988  -0.202
   85   1HD2  ASN   9          HD21      ASN   9  -6.318   7.894   0.483
   86   2HD2  ASN   9          HD22      ASN   9  -7.115   9.275   1.065
   87    H    GLY  10           HN       GLY  10  -9.259   3.250   3.110
   88   1HA   GLY  10          HA2       GLY  10 -11.359   2.436   1.145
   89   2HA   GLY  10          HA1       GLY  10 -10.453   1.304   2.152
   90    H    LYS  11           HN       LYS  11 -13.317   1.507   2.044
   91    HA   LYS  11           HA       LYS  11 -14.298   2.921   4.392
   92   1HB   LYS  11          HB2       LYS  11 -15.317   0.896   2.422
   93   2HB   LYS  11          HB1       LYS  11 -16.261   1.261   3.865
   94   1HG   LYS  11          HG2       LYS  11 -15.218   3.600   2.358
   95   2HG   LYS  11          HG1       LYS  11 -16.497   2.673   1.573
   96   1HD   LYS  11          HD2       LYS  11 -17.849   2.857   3.674
   97   2HD   LYS  11          HD1       LYS  11 -16.601   3.913   4.337
   98   1HE   LYS  11          HE2       LYS  11 -16.976   5.248   2.070
   99   2HE   LYS  11          HE1       LYS  11 -18.565   4.459   2.138
  100   1HZ   LYS  11          HZ1       LYS  11 -18.748   5.191   4.463
  101   2HZ   LYS  11          HZ2       LYS  11 -18.639   6.504   3.390
  102   3HZ   LYS  11          HZ3       LYS  11 -17.287   6.039   4.308
  103    H    THR  12           HN       THR  12 -12.431   0.087   4.047
  104    HA   THR  12           HA       THR  12 -13.620  -1.310   6.370
  105    HB   THR  12           HB       THR  12 -11.158  -1.969   4.731
  106    HG1  THR  12           HG1      THR  12 -13.846  -2.744   4.275
  107   1HG2  THR  12          HG21      THR  12 -13.074  -3.927   5.954
  108   2HG2  THR  12          HG22      THR  12 -11.860  -3.152   6.971
  109   3HG2  THR  12          HG23      THR  12 -11.360  -4.126   5.588
  110    H    LEU  13           HN       LEU  13 -10.661   0.465   5.460
  111    HA   LEU  13           HA       LEU  13 -10.011   0.690   8.378
  112   1HB   LEU  13          HB2       LEU  13  -8.368  -0.411   6.111
  113   2HB   LEU  13          HB1       LEU  13  -7.559   0.360   7.477
  114    HG   LEU  13           HG       LEU  13  -9.682  -1.664   8.057
  115   1HD1  LEU  13          HD11      LEU  13  -6.831  -2.372   7.303
  116   2HD1  LEU  13          HD12      LEU  13  -8.245  -2.695   6.300
  117   3HD1  LEU  13          HD13      LEU  13  -8.071  -3.493   7.864
  118   1HD2  LEU  13          HD21      LEU  13  -7.200  -0.552   9.328
  119   2HD2  LEU  13          HD22      LEU  13  -7.765  -2.151   9.811
  120   3HD2  LEU  13          HD23      LEU  13  -8.813  -0.747  10.015
  121    H    LYS  14           HN       LYS  14  -8.091   2.351   8.582
  122    HA   LYS  14           HA       LYS  14  -7.986   4.411   6.480
  123   1HB   LYS  14          HB2       LYS  14 -10.076   4.463   8.273
  124   2HB   LYS  14          HB1       LYS  14  -8.895   5.503   9.069
  125   1HG   LYS  14          HG2       LYS  14  -8.893   7.059   7.337
  126   2HG   LYS  14          HG1       LYS  14  -9.425   5.878   6.140
  127   1HD   LYS  14          HD2       LYS  14 -11.605   5.782   7.595
  128   2HD   LYS  14          HD1       LYS  14 -11.053   7.346   8.195
  129   1HE   LYS  14          HE2       LYS  14 -11.512   8.401   6.217
  130   2HE   LYS  14          HE1       LYS  14 -10.947   7.026   5.246
  131   1HZ   LYS  14          HZ1       LYS  14 -12.925   5.815   5.784
  132   2HZ   LYS  14          HZ2       LYS  14 -13.389   7.329   5.168
  133   3HZ   LYS  14          HZ3       LYS  14 -13.454   7.032   6.840
  134    H    GLY  15           HN       GLY  15  -6.078   5.588   6.673
  135   1HA   GLY  15          HA2       GLY  15  -4.533   6.688   8.408
  136   2HA   GLY  15          HA1       GLY  15  -4.433   5.075   9.116
  137    H    GLU  16           HN       GLU  16  -2.332   4.483   8.695
  138    HA   GLU  16           HA       GLU  16  -1.554   4.220   5.827
  139   1HB   GLU  16          HB2       GLU  16  -0.745   6.391   6.929
  140   2HB   GLU  16          HB1       GLU  16   0.276   5.373   7.945
  141   1HG   GLU  16          HG2       GLU  16   1.365   4.434   5.962
  142   2HG   GLU  16          HG1       GLU  16   0.309   5.381   4.912
  143    H    THR  17           HN       THR  17   0.321   2.723   5.583
  144    HA   THR  17           HA       THR  17   0.908   0.990   7.933
  145    HB   THR  17           HB       THR  17  -0.028  -0.135   5.285
  146    HG1  THR  17           HG1      THR  17  -1.990   0.287   5.847
  147   1HG2  THR  17          HG21      THR  17  -0.700  -1.953   7.122
  148   2HG2  THR  17          HG22      THR  17   0.607  -1.170   8.011
  149   3HG2  THR  17          HG23      THR  17   0.923  -1.893   6.434
  150    H    THR  18           HN       THR  18   3.061   0.463   7.907
  151    HA   THR  18           HA       THR  18   4.575   0.834   5.345
  152    HB   THR  18           HB       THR  18   6.484   1.261   6.902
  153    HG1  THR  18           HG1      THR  18   6.255   0.883   8.952
  154   1HG2  THR  18          HG21      THR  18   3.955   2.845   6.944
  155   2HG2  THR  18          HG22      THR  18   5.545   3.285   6.323
  156   3HG2  THR  18          HG23      THR  18   5.238   3.315   8.059
  157    H    THR  19           HN       THR  19   6.678  -0.578   5.401
  158    HA   THR  19           HA       THR  19   6.553  -3.122   6.828
  159    HB   THR  19           HB       THR  19   4.767  -3.414   5.161
  160    HG1  THR  19           HG1      THR  19   5.461  -5.341   4.590
  161   1HG2  THR  19          HG21      THR  19   6.884  -2.978   3.043
  162   2HG2  THR  19          HG22      THR  19   5.755  -1.721   3.549
  163   3HG2  THR  19          HG23      THR  19   5.151  -3.200   2.801
  164    H    GLU  20           HN       GLU  20   8.137  -4.701   5.306
  165    HA   GLU  20           HA       GLU  20  10.560  -3.021   4.734
  166   1HB   GLU  20          HB2       GLU  20  10.043  -5.478   6.334
  167   2HB   GLU  20          HB1       GLU  20  11.559  -5.436   5.432
  168   1HG   GLU  20          HG2       GLU  20  12.284  -3.457   6.535
  169   2HG   GLU  20          HG1       GLU  20  10.672  -3.134   7.177
  170    H    ALA  21           HN       ALA  21  10.618  -2.995   2.492
  171    HA   ALA  21           HA       ALA  21  10.673  -5.649   1.103
  172   1HB   ALA  21          HB1       ALA  21   9.493  -4.160  -0.763
  173   2HB   ALA  21          HB2       ALA  21   8.991  -3.213   0.638
  174   3HB   ALA  21          HB3       ALA  21   8.545  -4.915   0.518
  175    H    VAL  22           HN       VAL  22  12.269  -5.781  -0.482
  176    HA   VAL  22           HA       VAL  22  14.447  -3.927  -0.493
  177    HB   VAL  22           HB       VAL  22  14.580  -6.316  -1.109
  178   1HG1  VAL  22          HG11      VAL  22  13.436  -7.269  -2.869
  179   2HG1  VAL  22          HG12      VAL  22  13.414  -5.774  -3.803
  180   3HG1  VAL  22          HG13      VAL  22  12.292  -5.992  -2.461
  181   1HG2  VAL  22          HG21      VAL  22  15.905  -6.032  -3.238
  182   2HG2  VAL  22          HG22      VAL  22  16.350  -4.902  -1.959
  183   3HG2  VAL  22          HG23      VAL  22  15.339  -4.363  -3.300
  184    H    ASP  23           HN       ASP  23  11.527  -4.151  -2.452
  185    HA   ASP  23           HA       ASP  23  11.819  -1.420  -3.407
  186   1HB   ASP  23          HB2       ASP  23  12.105  -2.045  -5.795
  187   2HB   ASP  23          HB1       ASP  23  13.468  -2.579  -4.817
  188    H    ALA  24           HN       ALA  24  10.060  -1.120  -5.280
  189    HA   ALA  24           HA       ALA  24   7.506  -1.645  -4.245
  190   1HB   ALA  24          HB1       ALA  24   7.548   0.025  -5.836
  191   2HB   ALA  24          HB2       ALA  24   6.975  -1.299  -6.851
  192   3HB   ALA  24          HB3       ALA  24   8.681  -0.849  -6.867
  193    H    ALA  25           HN       ALA  25   9.562  -3.738  -6.145
  194    HA   ALA  25           HA       ALA  25   7.641  -5.492  -7.305
  195   1HB   ALA  25          HB1       ALA  25   9.522  -6.700  -7.851
  196   2HB   ALA  25          HB2       ALA  25  10.175  -6.611  -6.215
  197   3HB   ALA  25          HB3       ALA  25  10.336  -5.234  -7.304
  198    H    THR  26           HN       THR  26   8.949  -5.326  -4.024
  199    HA   THR  26           HA       THR  26   7.404  -7.766  -3.254
  200    HB   THR  26           HB       THR  26   9.390  -6.188  -1.604
  201    HG1  THR  26           HG1      THR  26  10.602  -6.680  -3.307
  202   1HG2  THR  26          HG21      THR  26   9.742  -8.382  -0.539
  203   2HG2  THR  26          HG22      THR  26   8.569  -9.106  -1.638
  204   3HG2  THR  26          HG23      THR  26   8.046  -7.908  -0.455
  205    H    ALA  27           HN       ALA  27   7.608  -4.293  -2.755
  206    HA   ALA  27           HA       ALA  27   6.080  -4.028  -0.361
  207   1HB   ALA  27          HB1       ALA  27   6.222  -1.788  -0.878
  208   2HB   ALA  27          HB2       ALA  27   5.758  -2.046  -2.559
  209   3HB   ALA  27          HB3       ALA  27   7.407  -2.385  -2.040
  210    H    GLU  28           HN       GLU  28   4.929  -3.632  -3.741
  211    HA   GLU  28           HA       GLU  28   2.147  -3.480  -3.154
  212   1HB   GLU  28          HB2       GLU  28   3.652  -3.168  -5.333
  213   2HB   GLU  28          HB1       GLU  28   3.143  -4.830  -5.637
  214   1HG   GLU  28          HG2       GLU  28   0.765  -4.100  -5.299
  215   2HG   GLU  28          HG1       GLU  28   1.339  -2.436  -5.186
  216    H    LYS  29           HN       LYS  29   4.142  -6.344  -3.979
  217    HA   LYS  29           HA       LYS  29   2.116  -8.314  -4.035
  218   1HB   LYS  29          HB2       LYS  29   4.996  -8.353  -3.095
  219   2HB   LYS  29          HB1       LYS  29   4.037  -9.818  -3.313
  220   1HG   LYS  29          HG2       LYS  29   3.568  -8.985  -5.687
  221   2HG   LYS  29          HG1       LYS  29   4.845  -7.799  -5.414
  222   1HD   LYS  29          HD2       LYS  29   6.460  -9.569  -4.980
  223   2HD   LYS  29          HD1       LYS  29   5.197 -10.794  -5.103
  224   1HE   LYS  29          HE2       LYS  29   5.120 -10.676  -7.405
  225   2HE   LYS  29          HE1       LYS  29   5.512  -8.945  -7.429
  226   1HZ   LYS  29          HZ1       LYS  29   7.757  -9.496  -6.675
  227   2HZ   LYS  29          HZ2       LYS  29   7.411 -10.232  -8.167
  228   3HZ   LYS  29          HZ3       LYS  29   7.382 -11.149  -6.737
  229    H    VAL  30           HN       VAL  30   3.884  -6.999  -1.237
  230    HA   VAL  30           HA       VAL  30   2.486  -8.720   0.687
  231    HB   VAL  30           HB       VAL  30   4.306  -6.299   0.936
  232   1HG1  VAL  30          HG11      VAL  30   3.194  -8.215   2.995
  233   2HG1  VAL  30          HG12      VAL  30   3.134  -6.451   3.004
  234   3HG1  VAL  30          HG13      VAL  30   4.665  -7.284   3.278
  235   1HG2  VAL  30          HG21      VAL  30   6.088  -7.773   0.990
  236   2HG2  VAL  30          HG22      VAL  30   5.010  -8.658  -0.090
  237   3HG2  VAL  30          HG23      VAL  30   5.107  -9.100   1.614
  238    H    PHE  31           HN       PHE  31   2.476  -5.225  -0.111
  239    HA   PHE  31           HA       PHE  31   0.420  -4.489   1.741
  240   1HB   PHE  31          HB2       PHE  31   1.702  -3.358  -0.716
  241   2HB   PHE  31          HB1       PHE  31   0.223  -2.594  -0.138
  242    HD1  PHE  31           HD1      PHE  31   0.390  -2.775   2.762
  243    HD2  PHE  31           HD2      PHE  31   3.511  -2.018  -0.091
  244    HE1  PHE  31           HE1      PHE  31   1.689  -1.577   4.501
  245    HE2  PHE  31           HE2      PHE  31   4.809  -0.823   1.651
  246    HZ   PHE  31           HZ       PHE  31   3.900  -0.603   3.946
  247    H    LYS  32           HN       LYS  32   0.286  -5.754  -1.565
  248    HA   LYS  32           HA       LYS  32  -2.496  -5.209  -2.061
  249   1HB   LYS  32          HB2       LYS  32  -0.455  -7.200  -3.072
  250   2HB   LYS  32          HB1       LYS  32  -2.120  -7.243  -3.649
  251   1HG   LYS  32          HG2       LYS  32  -0.673  -4.620  -3.649
  252   2HG   LYS  32          HG1       LYS  32  -0.307  -5.791  -4.917
  253   1HD   LYS  32          HD2       LYS  32  -2.747  -5.944  -5.426
  254   2HD   LYS  32          HD1       LYS  32  -3.044  -4.677  -4.235
  255   1HE   LYS  32          HE2       LYS  32  -1.629  -3.115  -5.511
  256   2HE   LYS  32          HE1       LYS  32  -1.285  -4.387  -6.699
  257   1HZ   LYS  32          HZ1       LYS  32  -3.955  -3.285  -6.002
  258   2HZ   LYS  32          HZ2       LYS  32  -3.707  -4.626  -7.014
  259   3HZ   LYS  32          HZ3       LYS  32  -3.137  -3.093  -7.475
  260    H    GLN  33           HN       GLN  33  -0.768  -7.998  -0.663
  261    HA   GLN  33           HA       GLN  33  -3.055  -9.669  -0.214
  262   1HB   GLN  33          HB2       GLN  33  -0.590 -10.274  -0.164
  263   2HB   GLN  33          HB1       GLN  33  -0.505  -9.488   1.413
  264   1HG   GLN  33          HG2       GLN  33  -0.854 -11.830   1.828
  265   2HG   GLN  33          HG1       GLN  33  -2.387 -11.022   2.157
  266   1HE2  GLN  33          HE21      GLN  33  -4.002 -12.430   1.433
  267   2HE2  GLN  33          HE22      GLN  33  -4.007 -13.197  -0.081
  268    H    TYR  34           HN       TYR  34  -1.572  -7.080   1.585
  269    HA   TYR  34           HA       TYR  34  -3.018  -7.371   4.066
  270   1HB   TYR  34          HB2       TYR  34  -1.096  -6.046   4.188
  271   2HB   TYR  34          HB1       TYR  34  -1.385  -5.300   2.622
  272    HD1  TYR  34           HD1      TYR  34  -2.358  -5.302   6.191
  273    HD2  TYR  34           HD2      TYR  34  -2.676  -3.283   2.421
  274    HE1  TYR  34           HE1      TYR  34  -3.354  -3.331   7.332
  275    HE2  TYR  34           HE2      TYR  34  -3.672  -1.313   3.548
  276    HH   TYR  34           HH       TYR  34  -5.034  -1.000   5.831
  277    H    ALA  35           HN       ALA  35  -3.471  -5.082   1.346
  278    HA   ALA  35           HA       ALA  35  -5.986  -4.029   2.183
  279   1HB   ALA  35          HB1       ALA  35  -5.087  -2.757   0.502
  280   2HB   ALA  35          HB2       ALA  35  -6.011  -3.836  -0.544
  281   3HB   ALA  35          HB3       ALA  35  -4.300  -4.148  -0.251
  282    H    ASN  36           HN       ASN  36  -5.237  -6.699  -0.078
  283    HA   ASN  36           HA       ASN  36  -7.867  -7.378  -0.839
  284   1HB   ASN  36          HB2       ASN  36  -5.610  -8.190  -1.716
  285   2HB   ASN  36          HB1       ASN  36  -5.594  -9.316  -0.357
  286   1HD2  ASN  36          HD21      ASN  36  -7.491  -8.408  -3.261
  287   2HD2  ASN  36          HD22      ASN  36  -8.241  -9.921  -3.435
  288    H    ASP  37           HN       ASP  37  -6.021  -8.276   2.046
  289    HA   ASP  37           HA       ASP  37  -7.822 -10.300   3.031
  290   1HB   ASP  37          HB2       ASP  37  -5.583  -8.602   4.044
  291   2HB   ASP  37          HB1       ASP  37  -6.606  -9.386   5.249
  292    H    ASN  38           HN       ASN  38  -7.475  -6.825   3.830
  293    HA   ASN  38           HA       ASN  38  -9.809  -6.804   5.583
  294   1HB   ASN  38          HB2       ASN  38  -8.097  -4.663   4.281
  295   2HB   ASN  38          HB1       ASN  38  -9.351  -4.320   5.474
  296   1HD2  ASN  38          HD21      ASN  38  -6.083  -4.664   5.284
  297   2HD2  ASN  38          HD22      ASN  38  -5.759  -5.291   6.828
  298    H    GLY  39           HN       GLY  39  -9.121  -5.551   2.300
  299   1HA   GLY  39          HA2       GLY  39 -10.996  -6.008   0.637
  300   2HA   GLY  39          HA1       GLY  39 -12.073  -5.341   1.865
  301    H    ILE  40           HN       ILE  40  -9.129  -4.442   0.028
  302    HA   ILE  40           HA       ILE  40 -10.254  -1.669  -0.168
  303    HB   ILE  40           HB       ILE  40  -7.391  -2.584   0.266
  304   1HG1  ILE  40          HG12      ILE  40  -9.289  -0.984   2.015
  305   2HG1  ILE  40          HG11      ILE  40  -8.900  -2.687   2.248
  306   1HG2  ILE  40          HG21      ILE  40  -8.599   0.056  -0.483
  307   2HG2  ILE  40          HG22      ILE  40  -7.054  -0.641  -0.979
  308   3HG2  ILE  40          HG23      ILE  40  -7.236   0.054   0.633
  309   1HD1  ILE  40          HD11      ILE  40  -7.582  -0.954   3.644
  310   2HD1  ILE  40          HD12      ILE  40  -6.730  -0.593   2.143
  311   3HD1  ILE  40          HD13      ILE  40  -6.656  -2.216   2.830
  312    H    ASP  41           HN       ASP  41 -10.991  -3.142  -2.219
  313    HA   ASP  41           HA       ASP  41  -8.961  -3.307  -4.345
  314   1HB   ASP  41          HB2       ASP  41 -11.162  -4.720  -3.794
  315   2HB   ASP  41          HB1       ASP  41 -11.921  -3.484  -4.798
  316    H    GLY  42           HN       GLY  42  -8.745  -0.784  -3.668
  317   1HA   GLY  42          HA2       GLY  42 -10.700   0.907  -5.097
  318   2HA   GLY  42          HA1       GLY  42  -9.386   1.473  -4.066
  319    H    GLU  43           HN       GLU  43  -8.390   2.857  -5.471
  320    HA   GLU  43           HA       GLU  43  -7.400   1.746  -8.034
  321   1HB   GLU  43          HB2       GLU  43  -8.149   4.520  -7.097
  322   2HB   GLU  43          HB1       GLU  43  -7.236   4.256  -8.583
  323   1HG   GLU  43          HG2       GLU  43  -9.009   3.079  -9.607
  324   2HG   GLU  43          HG1       GLU  43  -9.826   2.800  -8.069
  325    H    TRP  44           HN       TRP  44  -5.361   1.006  -7.544
  326    HA   TRP  44           HA       TRP  44  -3.691   2.218  -5.545
  327   1HB   TRP  44          HB2       TRP  44  -3.332   0.094  -7.650
  328   2HB   TRP  44          HB1       TRP  44  -2.039   0.543  -6.532
  329    HD1  TRP  44           HD1      TRP  44  -5.702  -0.662  -6.457
  330    HE1  TRP  44           HE1      TRP  44  -6.069  -1.981  -4.270
  331    HE3  TRP  44           HE3      TRP  44  -1.137  -0.015  -4.258
  332    HZ2  TRP  44           HZ2      TRP  44  -4.620  -2.651  -1.905
  333    HZ3  TRP  44           HZ3      TRP  44  -0.660  -1.005  -2.037
  334    HH2  TRP  44           HH2      TRP  44  -2.395  -2.330  -0.861
  335    H    THR  45           HN       THR  45  -1.922   3.490  -5.769
  336    HA   THR  45           HA       THR  45  -0.876   4.245  -8.419
  337    HB   THR  45           HB       THR  45  -1.214   6.712  -7.664
  338    HG1  THR  45           HG1      THR  45  -2.388   6.996  -5.960
  339   1HG2  THR  45          HG21      THR  45  -2.460   5.358  -9.488
  340   2HG2  THR  45          HG22      THR  45  -3.220   6.835  -8.896
  341   3HG2  THR  45          HG23      THR  45  -3.775   5.265  -8.317
  342    H    TYR  46           HN       TYR  46   1.300   4.531  -8.186
  343    HA   TYR  46           HA       TYR  46   2.410   4.540  -5.424
  344   1HB   TYR  46          HB2       TYR  46   3.147   2.759  -6.847
  345   2HB   TYR  46          HB1       TYR  46   3.399   3.846  -8.206
  346    HD1  TYR  46           HD1      TYR  46   5.441   5.058  -8.474
  347    HD2  TYR  46           HD2      TYR  46   4.723   2.811  -4.884
  348    HE1  TYR  46           HE1      TYR  46   7.821   5.318  -7.834
  349    HE2  TYR  46           HE2      TYR  46   7.098   3.070  -4.245
  350    HH   TYR  46           HH       TYR  46   9.475   4.180  -6.426
  351    H    ASP  47           HN       ASP  47   3.433   6.336  -4.633
  352    HA   ASP  47           HA       ASP  47   3.794   8.689  -6.435
  353   1HB   ASP  47          HB2       ASP  47   3.240   8.174  -3.550
  354   2HB   ASP  47          HB1       ASP  47   4.166   9.625  -3.934
  355    H    ASP  48           HN       ASP  48   5.849   8.992  -7.171
  356    HA   ASP  48           HA       ASP  48   8.152   7.626  -6.017
  357   1HB   ASP  48          HB2       ASP  48   7.465   8.569  -8.461
  358   2HB   ASP  48          HB1       ASP  48   8.472   9.905  -7.902
  359    H    ALA  49           HN       ALA  49   6.649  10.745  -5.547
  360    HA   ALA  49           HA       ALA  49   8.778  12.372  -4.725
  361   1HB   ALA  49          HB1       ALA  49   5.876  12.094  -4.018
  362   2HB   ALA  49          HB2       ALA  49   6.689  13.399  -4.882
  363   3HB   ALA  49          HB3       ALA  49   6.862  13.258  -3.132
  364    H    THR  50           HN       THR  50   6.982   9.941  -2.831
  365    HA   THR  50           HA       THR  50   9.233   9.857  -0.884
  366    HB   THR  50           HB       THR  50   7.600  10.109   0.977
  367    HG1  THR  50           HG1      THR  50   5.498  10.690   0.472
  368   1HG2  THR  50          HG21      THR  50   7.325  12.394  -0.986
  369   2HG2  THR  50          HG22      THR  50   8.808  12.077  -0.085
  370   3HG2  THR  50          HG23      THR  50   7.323  12.481   0.776
  371    H    LYS  51           HN       LYS  51   7.706   8.055  -2.967
  372    HA   LYS  51           HA       LYS  51   7.060   5.791  -3.129
  373   1HB   LYS  51          HB2       LYS  51   9.276   6.132  -1.281
  374   2HB   LYS  51          HB1       LYS  51   8.317   4.722  -0.832
  375   1HG   LYS  51          HG2       LYS  51   9.665   3.719  -2.399
  376   2HG   LYS  51          HG1       LYS  51   8.414   4.323  -3.486
  377   1HD   LYS  51          HD2       LYS  51   9.756   5.983  -4.334
  378   2HD   LYS  51          HD1       LYS  51  10.619   6.205  -2.811
  379   1HE   LYS  51          HE2       LYS  51  11.517   3.754  -3.349
  380   2HE   LYS  51          HE1       LYS  51  11.153   4.248  -5.015
  381   1HZ   LYS  51          HZ1       LYS  51  12.355   6.339  -4.566
  382   2HZ   LYS  51          HZ2       LYS  51  13.361   4.974  -4.462
  383   3HZ   LYS  51          HZ3       LYS  51  12.810   5.736  -3.047
  384    H    THR  52           HN       THR  52   4.810   5.886  -2.685
  385    HA   THR  52           HA       THR  52   4.001   4.757  -0.086
  386    HB   THR  52           HB       THR  52   3.047   7.481  -1.024
  387    HG1  THR  52           HG1      THR  52   4.300   8.266   0.624
  388   1HG2  THR  52          HG21      THR  52   1.475   5.942   0.316
  389   2HG2  THR  52          HG22      THR  52   1.753   7.561   0.957
  390   3HG2  THR  52          HG23      THR  52   2.593   6.179   1.660
  391    H    PHE  53           HN       PHE  53   2.806   3.082  -0.956
  392    HA   PHE  53           HA       PHE  53   1.327   3.152  -3.413
  393   1HB   PHE  53          HB2       PHE  53   1.242   1.468  -0.898
  394   2HB   PHE  53          HB1       PHE  53   0.195   1.127  -2.275
  395    HD1  PHE  53           HD1      PHE  53   1.070   0.228  -4.328
  396    HD2  PHE  53           HD2      PHE  53   3.701   1.314  -1.116
  397    HE1  PHE  53           HE1      PHE  53   2.936  -0.955  -5.458
  398    HE2  PHE  53           HE2      PHE  53   5.569   0.133  -2.238
  399    HZ   PHE  53           HZ       PHE  53   5.186  -1.002  -4.414
  400    H    THR  54           HN       THR  54  -0.621   4.155  -3.831
  401    HA   THR  54           HA       THR  54  -2.271   4.970  -1.453
  402    HB   THR  54           HB       THR  54  -1.917   6.311  -4.146
  403    HG1  THR  54           HG1      THR  54  -0.136   6.913  -3.229
  404   1HG2  THR  54          HG21      THR  54  -4.048   6.588  -2.502
  405   2HG2  THR  54          HG22      THR  54  -3.406   7.912  -3.472
  406   3HG2  THR  54          HG23      THR  54  -2.953   7.763  -1.774
  407    H    VAL  55           HN       VAL  55  -3.964   3.474  -1.411
  408    HA   VAL  55           HA       VAL  55  -5.447   3.004  -3.932
  409    HB   VAL  55           HB       VAL  55  -4.514   0.991  -2.756
  410   1HG1  VAL  55          HG11      VAL  55  -5.353   0.303  -0.623
  411   2HG1  VAL  55          HG12      VAL  55  -6.522   1.635  -0.610
  412   3HG1  VAL  55          HG13      VAL  55  -4.798   1.972  -0.444
  413   1HG2  VAL  55          HG21      VAL  55  -6.500  -0.334  -2.922
  414   2HG2  VAL  55          HG22      VAL  55  -6.638   0.947  -4.126
  415   3HG2  VAL  55          HG23      VAL  55  -7.526   1.064  -2.606
  416    H    THR  56           HN       THR  56  -7.892   2.793  -3.526
  417    HA   THR  56           HA       THR  56  -8.978   4.243  -1.212
  418    HB   THR  56           HB       THR  56  -9.026   5.324  -4.043
  419    HG1  THR  56           HG1      THR  56  -7.525   6.666  -3.381
  420   1HG2  THR  56          HG21      THR  56 -10.981   5.660  -2.134
  421   2HG2  THR  56          HG22      THR  56 -10.635   6.807  -3.428
  422   3HG2  THR  56          HG23      THR  56  -9.930   7.043  -1.829
  423    H    GLU  57           HN       GLU  57 -10.611   2.767  -0.797
  424    HA   GLU  57           HA       GLU  57 -12.149   1.588  -3.055
  425   1HB   GLU  57          HB2       GLU  57 -11.086   0.531  -0.804
  426   2HB   GLU  57          HB1       GLU  57 -12.695   0.932  -0.202
  427   1HG   GLU  57          HG2       GLU  57 -12.218  -0.618  -2.759
  428   2HG   GLU  57          HG1       GLU  57 -12.492  -1.388  -1.196
  Start of MODEL   26
    1   1H    MET   1          HT1       MET   1  16.073  -0.917   5.227
    2   2H    MET   1          HT2       MET   1  17.250  -0.533   4.064
    3   3H    MET   1          HT3       MET   1  17.190  -2.094   4.733
    4    HA   MET   1           HA       MET   1  16.245  -2.016   2.466
    5   1HB   MET   1          HB2       MET   1  15.086  -2.950   4.987
    6   2HB   MET   1          HB1       MET   1  13.863  -2.774   3.730
    7   1HG   MET   1          HG2       MET   1  14.589  -4.910   3.243
    8   2HG   MET   1          HG1       MET   1  15.728  -3.992   2.259
    9   1HE   MET   1          HE1       MET   1  16.438  -7.252   4.346
   10   2HE   MET   1          HE2       MET   1  17.662  -6.834   3.149
   11   3HE   MET   1          HE3       MET   1  15.956  -6.605   2.772
   12    H    THR   2           HN       THR   2  13.838  -1.655   1.585
   13    HA   THR   2           HA       THR   2  13.287   1.256   1.882
   14    HB   THR   2           HB       THR   2  12.316  -0.822  -0.108
   15    HG1  THR   2           HG1      THR   2  14.430  -0.621  -0.482
   16   1HG2  THR   2          HG21      THR   2  11.820   1.216  -1.485
   17   2HG2  THR   2          HG22      THR   2  12.194   2.204  -0.072
   18   3HG2  THR   2          HG23      THR   2  10.828   1.089  -0.031
   19    H    THR   3           HN       THR   3  11.772   1.681   3.448
   20    HA   THR   3           HA       THR   3   9.640  -0.247   4.030
   21    HB   THR   3           HB       THR   3  10.305   2.415   5.304
   22    HG1  THR   3           HG1      THR   3  11.198  -0.206   5.918
   23   1HG2  THR   3          HG21      THR   3   8.512   0.116   5.962
   24   2HG2  THR   3          HG22      THR   3   8.248   1.845   6.191
   25   3HG2  THR   3          HG23      THR   3   9.305   0.960   7.292
   26    H    PHE   4           HN       PHE   4   8.272   0.021   2.157
   27    HA   PHE   4           HA       PHE   4   7.359   2.596   1.208
   28   1HB   PHE   4          HB2       PHE   4   6.298  -0.236   0.972
   29   2HB   PHE   4          HB1       PHE   4   5.657   1.124   0.052
   30    HD1  PHE   4           HD1      PHE   4   8.432  -1.220   0.451
   31    HD2  PHE   4           HD2      PHE   4   7.082   2.297  -1.612
   32    HE1  PHE   4           HE1      PHE   4  10.248  -1.499  -1.213
   33    HE2  PHE   4           HE2      PHE   4   8.898   2.018  -3.277
   34    HZ   PHE   4           HZ       PHE   4  10.480   0.118  -3.077
   35    H    LYS   5           HN       LYS   5   4.870   3.058   1.251
   36    HA   LYS   5           HA       LYS   5   3.671   2.370   3.904
   37   1HB   LYS   5          HB2       LYS   5   4.478   5.018   2.767
   38   2HB   LYS   5          HB1       LYS   5   3.017   4.955   3.752
   39   1HG   LYS   5          HG2       LYS   5   4.172   4.293   5.667
   40   2HG   LYS   5          HG1       LYS   5   5.522   3.630   4.745
   41   1HD   LYS   5          HD2       LYS   5   6.331   5.664   5.701
   42   2HD   LYS   5          HD1       LYS   5   6.015   6.025   4.004
   43   1HE   LYS   5          HE2       LYS   5   3.689   6.437   5.789
   44   2HE   LYS   5          HE1       LYS   5   5.051   7.540   6.068
   45   1HZ   LYS   5          HZ1       LYS   5   5.149   7.846   3.614
   46   2HZ   LYS   5          HZ2       LYS   5   3.734   8.460   4.325
   47   3HZ   LYS   5          HZ3       LYS   5   3.694   6.984   3.485
   48    H    LEU   6           HN       LEU   6   1.801   1.344   3.263
   49    HA   LEU   6           HA       LEU   6   0.342   2.223   0.843
   50   1HB   LEU   6          HB2       LEU   6   0.890  -0.184   1.861
   51   2HB   LEU   6          HB1       LEU   6  -0.585   0.114   2.761
   52    HG   LEU   6           HG       LEU   6  -0.211  -0.547  -0.103
   53   1HD1  LEU   6          HD11      LEU   6  -2.755  -1.146   0.449
   54   2HD1  LEU   6          HD12      LEU   6  -2.170  -0.993   2.106
   55   3HD1  LEU   6          HD13      LEU   6  -1.421  -2.154   1.008
   56   1HD2  LEU   6          HD21      LEU   6  -0.983   1.677  -0.574
   57   2HD2  LEU   6          HD22      LEU   6  -2.166   1.619   0.734
   58   3HD2  LEU   6          HD23      LEU   6  -2.400   0.635  -0.713
   59    H    ILE   7           HN       ILE   7  -0.969   4.031   1.214
   60    HA   ILE   7           HA       ILE   7  -2.068   4.731   3.771
   61    HB   ILE   7           HB       ILE   7  -1.687   6.018   1.456
   62   1HG1  ILE   7          HG12      ILE   7  -4.090   6.874   3.022
   63   2HG1  ILE   7          HG11      ILE   7  -2.525   6.765   3.827
   64   1HG2  ILE   7          HG21      ILE   7  -3.627   6.373   0.144
   65   2HG2  ILE   7          HG22      ILE   7  -4.674   5.601   1.334
   66   3HG2  ILE   7          HG23      ILE   7  -3.563   4.627   0.374
   67   1HD1  ILE   7          HD11      ILE   7  -3.216   8.434   1.397
   68   2HD1  ILE   7          HD12      ILE   7  -1.567   8.187   1.973
   69   3HD1  ILE   7          HD13      ILE   7  -2.742   9.017   2.993
   70    H    ILE   8           HN       ILE   8  -4.594   4.855   4.059
   71    HA   ILE   8           HA       ILE   8  -5.847   2.353   2.986
   72    HB   ILE   8           HB       ILE   8  -5.855   3.386   5.840
   73   1HG1  ILE   8          HG12      ILE   8  -4.559   0.899   4.685
   74   2HG1  ILE   8          HG11      ILE   8  -3.686   2.386   5.054
   75   1HG2  ILE   8          HG21      ILE   8  -7.216   1.574   6.411
   76   2HG2  ILE   8          HG22      ILE   8  -6.809   0.680   4.947
   77   3HG2  ILE   8          HG23      ILE   8  -7.895   2.066   4.861
   78   1HD1  ILE   8          HD11      ILE   8  -3.371   1.197   7.027
   79   2HD1  ILE   8          HD12      ILE   8  -4.952   0.422   6.932
   80   3HD1  ILE   8          HD13      ILE   8  -4.827   2.113   7.418
   81    H    ASN   9           HN       ASN   9  -6.779   4.201   1.554
   82    HA   ASN   9           HA       ASN   9  -8.900   5.778   2.918
   83   1HB   ASN   9          HB2       ASN   9  -7.266   5.923   0.484
   84   2HB   ASN   9          HB1       ASN   9  -8.965   6.275   0.171
   85   1HD2  ASN   9          HD21      ASN   9  -6.338   8.007   0.545
   86   2HD2  ASN   9          HD22      ASN   9  -6.867   9.253   1.569
   87    H    GLY  10           HN       GLY  10  -9.378   3.065   3.032
   88   1HA   GLY  10          HA2       GLY  10 -11.385   2.544   0.883
   89   2HA   GLY  10          HA1       GLY  10 -10.595   1.287   1.839
   90    H    LYS  11           HN       LYS  11 -13.409   1.513   1.594
   91    HA   LYS  11           HA       LYS  11 -14.526   2.816   3.952
   92   1HB   LYS  11          HB2       LYS  11 -15.657   2.326   1.731
   93   2HB   LYS  11          HB1       LYS  11 -15.699   0.629   2.212
   94   1HG   LYS  11          HG2       LYS  11 -17.224   1.011   3.929
   95   2HG   LYS  11          HG1       LYS  11 -16.763   2.705   4.099
   96   1HD   LYS  11          HD2       LYS  11 -18.005   3.367   2.223
   97   2HD   LYS  11          HD1       LYS  11 -18.041   1.735   1.553
   98   1HE   LYS  11          HE2       LYS  11 -19.509   1.021   3.449
   99   2HE   LYS  11          HE1       LYS  11 -19.546   2.705   4.008
  100   1HZ   LYS  11          HZ1       LYS  11 -20.406   3.395   1.888
  101   2HZ   LYS  11          HZ2       LYS  11 -21.408   2.170   2.505
  102   3HZ   LYS  11          HZ3       LYS  11 -20.293   1.819   1.272
  103    H    THR  12           HN       THR  12 -12.721  -0.056   3.533
  104    HA   THR  12           HA       THR  12 -14.077  -1.474   5.763
  105    HB   THR  12           HB       THR  12 -13.523  -2.663   3.674
  106    HG1  THR  12           HG1      THR  12 -13.413  -4.083   5.250
  107   1HG2  THR  12          HG21      THR  12 -11.105  -1.179   3.871
  108   2HG2  THR  12          HG22      THR  12 -11.594  -2.287   2.592
  109   3HG2  THR  12          HG23      THR  12 -10.681  -2.886   3.976
  110    H    LEU  13           HN       LEU  13 -11.196   0.401   5.053
  111    HA   LEU  13           HA       LEU  13 -10.388   0.157   7.912
  112   1HB   LEU  13          HB2       LEU  13  -8.794  -0.619   5.468
  113   2HB   LEU  13          HB1       LEU  13  -7.988  -0.160   6.967
  114    HG   LEU  13           HG       LEU  13 -10.071  -2.352   6.733
  115   1HD1  LEU  13          HD11      LEU  13  -7.911  -3.717   7.350
  116   2HD1  LEU  13          HD12      LEU  13  -7.068  -2.339   6.642
  117   3HD1  LEU  13          HD13      LEU  13  -8.207  -3.270   5.669
  118   1HD2  LEU  13          HD21      LEU  13 -10.153  -1.615   8.960
  119   2HD2  LEU  13          HD22      LEU  13  -8.441  -1.193   8.984
  120   3HD2  LEU  13          HD23      LEU  13  -8.933  -2.886   9.036
  121    H    LYS  14           HN       LYS  14  -8.758   1.852   8.483
  122    HA   LYS  14           HA       LYS  14  -8.495   4.103   6.561
  123   1HB   LYS  14          HB2       LYS  14 -10.566   3.962   8.405
  124   2HB   LYS  14          HB1       LYS  14  -9.367   4.949   9.238
  125   1HG   LYS  14          HG2       LYS  14  -9.433   5.871   6.550
  126   2HG   LYS  14          HG1       LYS  14 -11.111   5.684   7.055
  127   1HD   LYS  14          HD2       LYS  14 -10.899   7.230   8.797
  128   2HD   LYS  14          HD1       LYS  14  -9.147   7.039   8.884
  129   1HE   LYS  14          HE2       LYS  14  -8.770   8.417   7.028
  130   2HE   LYS  14          HE1       LYS  14 -10.400   8.150   6.378
  131   1HZ   LYS  14          HZ1       LYS  14 -10.301  10.307   7.428
  132   2HZ   LYS  14          HZ2       LYS  14  -9.715   9.622   8.869
  133   3HZ   LYS  14          HZ3       LYS  14 -11.296   9.284   8.345
  134    H    GLY  15           HN       GLY  15  -6.491   5.042   6.794
  135   1HA   GLY  15          HA2       GLY  15  -4.935   5.975   8.644
  136   2HA   GLY  15          HA1       GLY  15  -4.900   4.304   9.208
  137    H    GLU  16           HN       GLU  16  -2.740   3.839   8.779
  138    HA   GLU  16           HA       GLU  16  -2.015   3.609   5.898
  139   1HB   GLU  16          HB2       GLU  16  -0.933   5.465   7.912
  140   2HB   GLU  16          HB1       GLU  16   0.312   4.529   7.086
  141   1HG   GLU  16          HG2       GLU  16  -0.532   5.243   4.912
  142   2HG   GLU  16          HG1       GLU  16  -1.871   6.097   5.681
  143    H    THR  17           HN       THR  17   0.135   2.342   5.736
  144    HA   THR  17           HA       THR  17   0.631   0.521   8.038
  145    HB   THR  17           HB       THR  17  -0.011  -0.478   5.251
  146    HG1  THR  17           HG1      THR  17  -1.712  -0.414   7.514
  147   1HG2  THR  17          HG21      THR  17   0.462  -1.718   7.947
  148   2HG2  THR  17          HG22      THR  17   1.148  -2.164   6.385
  149   3HG2  THR  17          HG23      THR  17  -0.532  -2.553   6.754
  150    H    THR  18           HN       THR  18   2.670  -0.644   7.799
  151    HA   THR  18           HA       THR  18   4.431   0.278   5.562
  152    HB   THR  18           HB       THR  18   6.178   0.723   7.296
  153    HG1  THR  18           HG1      THR  18   4.023   0.372   9.101
  154   1HG2  THR  18          HG21      THR  18   4.710   2.540   6.453
  155   2HG2  THR  18          HG22      THR  18   5.195   2.803   8.128
  156   3HG2  THR  18          HG23      THR  18   3.576   2.206   7.762
  157    H    THR  19           HN       THR  19   6.245  -1.164   5.186
  158    HA   THR  19           HA       THR  19   6.399  -3.686   6.719
  159    HB   THR  19           HB       THR  19   4.551  -4.033   5.126
  160    HG1  THR  19           HG1      THR  19   5.301  -5.925   4.468
  161   1HG2  THR  19          HG21      THR  19   5.601  -2.287   3.489
  162   2HG2  THR  19          HG22      THR  19   4.721  -3.659   2.818
  163   3HG2  THR  19          HG23      THR  19   6.484  -3.672   2.849
  164    H    GLU  20           HN       GLU  20   8.291  -4.981   6.035
  165    HA   GLU  20           HA       GLU  20  10.499  -3.262   5.075
  166   1HB   GLU  20          HB2       GLU  20  10.211  -5.984   6.354
  167   2HB   GLU  20          HB1       GLU  20  11.766  -5.421   5.740
  168   1HG   GLU  20          HG2       GLU  20  11.720  -3.495   7.206
  169   2HG   GLU  20          HG1       GLU  20  10.075  -3.873   7.721
  170    H    ALA  21           HN       ALA  21  10.550  -3.140   2.841
  171    HA   ALA  21           HA       ALA  21  10.616  -5.729   1.330
  172   1HB   ALA  21          HB1       ALA  21   9.204  -3.134   0.626
  173   2HB   ALA  21          HB2       ALA  21   8.426  -4.649   1.084
  174   3HB   ALA  21          HB3       ALA  21   9.312  -4.537  -0.436
  175    H    VAL  22           HN       VAL  22  12.251  -5.819  -0.208
  176    HA   VAL  22           HA       VAL  22  14.454  -4.015  -0.134
  177    HB   VAL  22           HB       VAL  22  14.524  -6.363  -0.902
  178   1HG1  VAL  22          HG11      VAL  22  13.304  -5.542  -3.520
  179   2HG1  VAL  22          HG12      VAL  22  12.249  -5.989  -2.181
  180   3HG1  VAL  22          HG13      VAL  22  13.423  -7.148  -2.802
  181   1HG2  VAL  22          HG21      VAL  22  16.059  -6.054  -2.714
  182   2HG2  VAL  22          HG22      VAL  22  16.194  -4.610  -1.711
  183   3HG2  VAL  22          HG23      VAL  22  15.272  -4.556  -3.214
  184    H    ASP  23           HN       ASP  23  11.588  -4.103  -2.213
  185    HA   ASP  23           HA       ASP  23  11.871  -1.298  -2.924
  186   1HB   ASP  23          HB2       ASP  23  12.281  -1.731  -5.347
  187   2HB   ASP  23          HB1       ASP  23  13.617  -2.277  -4.338
  188    H    ALA  24           HN       ALA  24  10.236  -0.914  -4.921
  189    HA   ALA  24           HA       ALA  24   7.627  -1.527  -4.082
  190   1HB   ALA  24          HB1       ALA  24   6.998  -0.418  -6.047
  191   2HB   ALA  24          HB2       ALA  24   8.320  -1.124  -6.978
  192   3HB   ALA  24          HB3       ALA  24   8.648   0.161  -5.815
  193    H    ALA  25           HN       ALA  25   9.843  -3.475  -5.955
  194    HA   ALA  25           HA       ALA  25   8.070  -5.184  -7.367
  195   1HB   ALA  25          HB1       ALA  25   9.987  -6.502  -7.660
  196   2HB   ALA  25          HB2       ALA  25  10.577  -6.175  -6.030
  197   3HB   ALA  25          HB3       ALA  25  10.685  -4.929  -7.273
  198    H    THR  26           HN       THR  26   8.881  -5.083  -3.949
  199    HA   THR  26           HA       THR  26   7.281  -7.584  -3.505
  200    HB   THR  26           HB       THR  26   9.333  -6.250  -1.714
  201    HG1  THR  26           HG1      THR  26  10.721  -7.067  -3.034
  202   1HG2  THR  26          HG21      THR  26   7.831  -7.718  -0.502
  203   2HG2  THR  26          HG22      THR  26   9.382  -8.537  -0.685
  204   3HG2  THR  26          HG23      THR  26   8.023  -8.981  -1.718
  205    H    ALA  27           HN       ALA  27   7.593  -4.176  -2.727
  206    HA   ALA  27           HA       ALA  27   6.005  -4.005  -0.374
  207   1HB   ALA  27          HB1       ALA  27   6.032  -1.705  -0.839
  208   2HB   ALA  27          HB2       ALA  27   5.899  -1.960  -2.579
  209   3HB   ALA  27          HB3       ALA  27   7.426  -2.276  -1.756
  210    H    GLU  28           HN       GLU  28   4.921  -3.350  -3.732
  211    HA   GLU  28           HA       GLU  28   2.126  -3.243  -3.173
  212   1HB   GLU  28          HB2       GLU  28   3.579  -2.633  -5.267
  213   2HB   GLU  28          HB1       GLU  28   3.285  -4.306  -5.745
  214   1HG   GLU  28          HG2       GLU  28   1.058  -3.947  -6.141
  215   2HG   GLU  28          HG1       GLU  28   0.910  -2.765  -4.840
  216    H    LYS  29           HN       LYS  29   4.226  -6.002  -3.987
  217    HA   LYS  29           HA       LYS  29   2.252  -7.990  -4.433
  218   1HB   LYS  29          HB2       LYS  29   4.725  -8.165  -4.778
  219   2HB   LYS  29          HB1       LYS  29   4.933  -8.254  -3.029
  220   1HG   LYS  29          HG2       LYS  29   3.341 -10.247  -3.071
  221   2HG   LYS  29          HG1       LYS  29   3.517 -10.232  -4.826
  222   1HD   LYS  29          HD2       LYS  29   6.091 -10.199  -4.283
  223   2HD   LYS  29          HD1       LYS  29   5.573 -10.844  -2.725
  224   1HE   LYS  29          HE2       LYS  29   4.498 -12.087  -5.246
  225   2HE   LYS  29          HE1       LYS  29   6.121 -12.525  -4.676
  226   1HZ   LYS  29          HZ1       LYS  29   3.591 -12.654  -3.122
  227   2HZ   LYS  29          HZ2       LYS  29   5.134 -12.884  -2.449
  228   3HZ   LYS  29          HZ3       LYS  29   4.544 -13.965  -3.620
  229    H    VAL  30           HN       VAL  30   3.758  -6.964  -1.354
  230    HA   VAL  30           HA       VAL  30   2.123  -8.800   0.244
  231    HB   VAL  30           HB       VAL  30   3.938  -6.459   0.929
  232   1HG1  VAL  30          HG11      VAL  30   4.035  -7.758   3.168
  233   2HG1  VAL  30          HG12      VAL  30   2.548  -8.535   2.625
  234   3HG1  VAL  30          HG13      VAL  30   2.597  -6.786   2.851
  235   1HG2  VAL  30          HG21      VAL  30   5.627  -8.145   1.334
  236   2HG2  VAL  30          HG22      VAL  30   4.969  -8.421  -0.279
  237   3HG2  VAL  30          HG23      VAL  30   4.462  -9.442   1.067
  238    H    PHE  31           HN       PHE  31   2.205  -5.282  -0.369
  239    HA   PHE  31           HA       PHE  31   0.027  -4.599   1.372
  240   1HB   PHE  31          HB2       PHE  31   1.431  -3.363  -0.984
  241   2HB   PHE  31          HB1       PHE  31  -0.002  -2.581  -0.319
  242    HD1  PHE  31           HD1      PHE  31   3.324  -2.200  -0.267
  243    HD2  PHE  31           HD2      PHE  31   0.173  -2.992   2.544
  244    HE1  PHE  31           HE1      PHE  31   4.698  -1.231   1.553
  245    HE2  PHE  31           HE2      PHE  31   1.550  -2.022   4.362
  246    HZ   PHE  31           HZ       PHE  31   3.814  -1.141   3.866
  247    H    LYS  32           HN       LYS  32   0.142  -5.621  -2.032
  248    HA   LYS  32           HA       LYS  32  -2.593  -5.037  -2.690
  249   1HB   LYS  32          HB2       LYS  32  -0.476  -6.956  -3.683
  250   2HB   LYS  32          HB1       LYS  32  -2.098  -6.976  -4.375
  251   1HG   LYS  32          HG2       LYS  32  -0.593  -4.382  -4.121
  252   2HG   LYS  32          HG1       LYS  32  -0.297  -5.455  -5.489
  253   1HD   LYS  32          HD2       LYS  32  -2.980  -5.454  -5.554
  254   2HD   LYS  32          HD1       LYS  32  -2.731  -3.872  -4.814
  255   1HE   LYS  32          HE2       LYS  32  -1.228  -3.229  -6.673
  256   2HE   LYS  32          HE1       LYS  32  -1.491  -4.815  -7.426
  257   1HZ   LYS  32          HZ1       LYS  32  -3.563  -2.780  -6.798
  258   2HZ   LYS  32          HZ2       LYS  32  -3.902  -4.354  -7.341
  259   3HZ   LYS  32          HZ3       LYS  32  -3.061  -3.269  -8.342
  260    H    GLN  33           HN       GLN  33  -1.000  -7.980  -1.436
  261    HA   GLN  33           HA       GLN  33  -3.349  -9.613  -1.255
  262   1HB   GLN  33          HB2       GLN  33  -0.932 -10.330  -1.145
  263   2HB   GLN  33          HB1       GLN  33  -0.859  -9.638   0.476
  264   1HG   GLN  33          HG2       GLN  33  -1.309 -11.970   0.772
  265   2HG   GLN  33          HG1       GLN  33  -2.836 -11.137   1.066
  266   1HE2  GLN  33          HE21      GLN  33  -4.516 -12.290   0.112
  267   2HE2  GLN  33          HE22      GLN  33  -4.437 -13.061  -1.398
  268    H    TYR  34           HN       TYR  34  -1.914  -7.226   0.837
  269    HA   TYR  34           HA       TYR  34  -3.491  -7.710   3.206
  270   1HB   TYR  34          HB2       TYR  34  -1.551  -6.447   3.545
  271   2HB   TYR  34          HB1       TYR  34  -1.747  -5.551   2.044
  272    HD1  TYR  34           HD1      TYR  34  -2.927  -5.877   5.540
  273    HD2  TYR  34           HD2      TYR  34  -2.964  -3.487   1.978
  274    HE1  TYR  34           HE1      TYR  34  -3.947  -4.000   6.811
  275    HE2  TYR  34           HE2      TYR  34  -3.983  -1.610   3.235
  276    HH   TYR  34           HH       TYR  34  -4.096  -0.844   5.617
  277    H    ALA  35           HN       ALA  35  -3.762  -5.183   0.678
  278    HA   ALA  35           HA       ALA  35  -6.283  -4.127   1.478
  279   1HB   ALA  35          HB1       ALA  35  -4.514  -4.143  -0.907
  280   2HB   ALA  35          HB2       ALA  35  -5.258  -2.777  -0.070
  281   3HB   ALA  35          HB3       ALA  35  -6.201  -3.729  -1.218
  282    H    ASN  36           HN       ASN  36  -5.515  -6.666  -0.924
  283    HA   ASN  36           HA       ASN  36  -8.141  -7.214  -1.814
  284   1HB   ASN  36          HB2       ASN  36  -5.725  -8.038  -2.512
  285   2HB   ASN  36          HB1       ASN  36  -6.107  -9.387  -1.442
  286   1HD2  ASN  36          HD21      ASN  36  -6.261  -8.534  -4.639
  287   2HD2  ASN  36          HD22      ASN  36  -7.596  -9.465  -5.121
  288    H    ASP  37           HN       ASP  37  -6.410  -8.287   1.070
  289    HA   ASP  37           HA       ASP  37  -8.130 -10.411   1.900
  290   1HB   ASP  37          HB2       ASP  37  -5.816  -9.463   2.753
  291   2HB   ASP  37          HB1       ASP  37  -6.832  -8.503   3.829
  292    H    ASN  38           HN       ASN  38  -8.086  -7.036   3.118
  293    HA   ASN  38           HA       ASN  38 -10.680  -7.270   4.405
  294   1HB   ASN  38          HB2       ASN  38  -8.859  -4.963   3.655
  295   2HB   ASN  38          HB1       ASN  38 -10.334  -4.756   4.600
  296   1HD2  ASN  38          HD21      ASN  38  -7.044  -5.164   4.965
  297   2HD2  ASN  38          HD22      ASN  38  -7.023  -5.864   6.511
  298    H    GLY  39           HN       GLY  39  -9.528  -5.673   1.418
  299   1HA   GLY  39          HA2       GLY  39 -11.089  -5.995  -0.564
  300   2HA   GLY  39          HA1       GLY  39 -12.379  -5.493   0.528
  301    H    ILE  40           HN       ILE  40  -9.275  -4.333  -0.820
  302    HA   ILE  40           HA       ILE  40 -10.426  -1.562  -0.760
  303    HB   ILE  40           HB       ILE  40  -7.584  -2.546  -0.328
  304   1HG1  ILE  40          HG12      ILE  40  -9.527  -1.091   1.496
  305   2HG1  ILE  40          HG11      ILE  40  -9.177  -2.817   1.572
  306   1HG2  ILE  40          HG21      ILE  40  -7.121  -0.498  -1.313
  307   2HG2  ILE  40          HG22      ILE  40  -7.460   0.062   0.327
  308   3HG2  ILE  40          HG23      ILE  40  -8.710   0.160  -0.912
  309   1HD1  ILE  40          HD11      ILE  40  -7.888  -1.164   3.154
  310   2HD1  ILE  40          HD12      ILE  40  -6.915  -0.841   1.718
  311   3HD1  ILE  40          HD13      ILE  40  -7.006  -2.476   2.371
  312    H    ASP  41           HN       ASP  41 -11.119  -2.732  -2.990
  313    HA   ASP  41           HA       ASP  41  -9.038  -2.706  -5.068
  314   1HB   ASP  41          HB2       ASP  41 -11.938  -3.338  -4.768
  315   2HB   ASP  41          HB1       ASP  41 -11.398  -2.873  -6.382
  316    H    GLY  42           HN       GLY  42  -8.741  -0.295  -4.101
  317   1HA   GLY  42          HA2       GLY  42 -10.587   1.632  -5.367
  318   2HA   GLY  42          HA1       GLY  42  -9.278   2.020  -4.250
  319    H    GLU  43           HN       GLU  43  -8.184   3.506  -5.472
  320    HA   GLU  43           HA       GLU  43  -7.138   2.613  -8.098
  321   1HB   GLU  43          HB2       GLU  43  -7.856   5.326  -6.969
  322   2HB   GLU  43          HB1       GLU  43  -6.943   5.138  -8.467
  323   1HG   GLU  43          HG2       GLU  43  -9.651   3.870  -7.970
  324   2HG   GLU  43          HG1       GLU  43  -9.420   5.398  -8.821
  325    H    TRP  44           HN       TRP  44  -5.139   1.794  -7.573
  326    HA   TRP  44           HA       TRP  44  -3.527   2.804  -5.427
  327   1HB   TRP  44          HB2       TRP  44  -3.116   0.888  -7.714
  328   2HB   TRP  44          HB1       TRP  44  -1.849   1.218  -6.526
  329    HD1  TRP  44           HD1      TRP  44  -5.526   0.059  -6.650
  330    HE1  TRP  44           HE1      TRP  44  -5.954  -1.466  -4.612
  331    HE3  TRP  44           HE3      TRP  44  -1.004   0.428  -4.305
  332    HZ2  TRP  44           HZ2      TRP  44  -4.563  -2.388  -2.297
  333    HZ3  TRP  44           HZ3      TRP  44  -0.586  -0.782  -2.182
  334    HH2  TRP  44           HH2      TRP  44  -2.358  -2.195  -1.180
  335    H    THR  45           HN       THR  45  -1.728   4.056  -5.464
  336    HA   THR  45           HA       THR  45  -0.580   5.063  -7.984
  337    HB   THR  45           HB       THR  45  -0.917   7.446  -6.946
  338    HG1  THR  45           HG1      THR  45  -3.138   6.087  -5.834
  339   1HG2  THR  45          HG21      THR  45  -2.049   6.272  -9.005
  340   2HG2  THR  45          HG22      THR  45  -2.730   7.771  -8.374
  341   3HG2  THR  45          HG23      THR  45  -3.465   6.224  -7.955
  342    H    TYR  46           HN       TYR  46   1.593   5.301  -7.638
  343    HA   TYR  46           HA       TYR  46   2.569   5.095  -4.827
  344   1HB   TYR  46          HB2       TYR  46   3.310   3.334  -6.267
  345   2HB   TYR  46          HB1       TYR  46   3.660   4.449  -7.582
  346    HD1  TYR  46           HD1      TYR  46   4.875   3.027  -4.410
  347    HD2  TYR  46           HD2      TYR  46   5.677   5.846  -7.551
  348    HE1  TYR  46           HE1      TYR  46   7.225   3.195  -3.656
  349    HE2  TYR  46           HE2      TYR  46   8.031   6.019  -6.793
  350    HH   TYR  46           HH       TYR  46   9.621   4.133  -5.312
  351    H    ASP  47           HN       ASP  47   3.864   6.703  -3.961
  352    HA   ASP  47           HA       ASP  47   4.390   9.116  -5.662
  353   1HB   ASP  47          HB2       ASP  47   2.830   8.980  -3.508
  354   2HB   ASP  47          HB1       ASP  47   4.371   9.134  -2.663
  355    H    ASP  48           HN       ASP  48   6.522   9.397  -6.124
  356    HA   ASP  48           HA       ASP  48   8.620   7.845  -4.830
  357   1HB   ASP  48          HB2       ASP  48   8.367   8.742  -7.263
  358   2HB   ASP  48          HB1       ASP  48   9.003  10.252  -6.607
  359    H    ALA  49           HN       ALA  49   7.191  10.972  -4.255
  360    HA   ALA  49           HA       ALA  49   9.287  12.454  -3.127
  361   1HB   ALA  49          HB1       ALA  49   7.559  13.778  -2.264
  362   2HB   ALA  49          HB2       ALA  49   6.548  12.382  -1.894
  363   3HB   ALA  49          HB3       ALA  49   6.737  12.916  -3.564
  364    H    THR  50           HN       THR  50   7.280   9.928  -1.623
  365    HA   THR  50           HA       THR  50   9.327   9.615   0.513
  366    HB   THR  50           HB       THR  50   7.526   9.759   2.228
  367    HG1  THR  50           HG1      THR  50   5.529   9.862   1.617
  368   1HG2  THR  50          HG21      THR  50   7.339  12.146   2.223
  369   2HG2  THR  50          HG22      THR  50   7.502  12.218   0.468
  370   3HG2  THR  50          HG23      THR  50   8.886  11.769   1.464
  371    H    LYS  51           HN       LYS  51   7.928   8.055  -1.854
  372    HA   LYS  51           HA       LYS  51   7.230   5.838  -2.269
  373   1HB   LYS  51          HB2       LYS  51   9.348   5.946  -0.315
  374   2HB   LYS  51          HB1       LYS  51   8.297   4.582   0.062
  375   1HG   LYS  51          HG2       LYS  51   9.554   3.498  -1.501
  376   2HG   LYS  51          HG1       LYS  51   8.496   4.325  -2.645
  377   1HD   LYS  51          HD2       LYS  51  10.805   4.711  -3.306
  378   2HD   LYS  51          HD1       LYS  51  10.131   6.225  -2.700
  379   1HE   LYS  51          HE2       LYS  51  11.550   6.273  -0.909
  380   2HE   LYS  51          HE1       LYS  51  11.398   4.526  -0.629
  381   1HZ   LYS  51          HZ1       LYS  51  12.743   4.150  -2.626
  382   2HZ   LYS  51          HZ2       LYS  51  13.601   5.030  -1.453
  383   3HZ   LYS  51          HZ3       LYS  51  12.951   5.824  -2.807
  384    H    THR  52           HN       THR  52   4.947   6.013  -1.964
  385    HA   THR  52           HA       THR  52   3.933   4.688   0.478
  386    HB   THR  52           HB       THR  52   3.126   7.502  -0.327
  387    HG1  THR  52           HG1      THR  52   4.728   8.045   0.883
  388   1HG2  THR  52          HG21      THR  52   1.617   7.479   1.470
  389   2HG2  THR  52          HG22      THR  52   2.404   6.099   2.235
  390   3HG2  THR  52          HG23      THR  52   1.427   5.865   0.786
  391    H    PHE  53           HN       PHE  53   2.751   3.108  -0.578
  392    HA   PHE  53           HA       PHE  53   1.405   3.439  -3.109
  393   1HB   PHE  53          HB2       PHE  53   1.164   1.498  -0.788
  394   2HB   PHE  53          HB1       PHE  53   0.242   1.305  -2.278
  395    HD1  PHE  53           HD1      PHE  53   1.305   0.643  -4.337
  396    HD2  PHE  53           HD2      PHE  53   3.622   1.328  -0.792
  397    HE1  PHE  53           HE1      PHE  53   3.268  -0.433  -5.414
  398    HE2  PHE  53           HE2      PHE  53   5.586   0.254  -1.860
  399    HZ   PHE  53           HZ       PHE  53   5.409  -0.627  -4.174
  400    H    THR  54           HN       THR  54  -0.535   4.506  -3.475
  401    HA   THR  54           HA       THR  54  -2.233   5.083  -1.061
  402    HB   THR  54           HB       THR  54  -1.827   6.698  -3.591
  403    HG1  THR  54           HG1      THR  54  -0.294   7.710  -2.537
  404   1HG2  THR  54          HG21      THR  54  -2.871   7.865  -1.061
  405   2HG2  THR  54          HG22      THR  54  -3.971   6.834  -1.975
  406   3HG2  THR  54          HG23      THR  54  -3.269   8.263  -2.732
  407    H    VAL  55           HN       VAL  55  -3.908   3.544  -1.241
  408    HA   VAL  55           HA       VAL  55  -5.344   3.389  -3.823
  409    HB   VAL  55           HB       VAL  55  -4.496   1.254  -2.795
  410   1HG1  VAL  55          HG11      VAL  55  -4.896   2.042  -0.415
  411   2HG1  VAL  55          HG12      VAL  55  -5.434   0.398  -0.774
  412   3HG1  VAL  55          HG13      VAL  55  -6.607   1.723  -0.702
  413   1HG2  VAL  55          HG21      VAL  55  -6.504   0.005  -3.181
  414   2HG2  VAL  55          HG22      VAL  55  -6.546   1.395  -4.266
  415   3HG2  VAL  55          HG23      VAL  55  -7.510   1.400  -2.788
  416    H    THR  56           HN       THR  56  -7.799   3.225  -3.532
  417    HA   THR  56           HA       THR  56  -8.941   4.462  -1.125
  418    HB   THR  56           HB       THR  56  -8.818   5.840  -3.822
  419    HG1  THR  56           HG1      THR  56  -7.388   7.142  -2.895
  420   1HG2  THR  56          HG21      THR  56 -10.814   6.694  -3.104
  421   2HG2  THR  56          HG22      THR  56  -9.780   7.706  -2.094
  422   3HG2  THR  56          HG23      THR  56 -10.512   6.248  -1.424
  423    H    GLU  57           HN       GLU  57 -10.659   3.045  -0.926
  424    HA   GLU  57           HA       GLU  57 -12.141   2.183  -3.367
  425   1HB   GLU  57          HB2       GLU  57 -11.173   0.808  -1.245
  426   2HB   GLU  57          HB1       GLU  57 -12.791   1.172  -0.644
  427   1HG   GLU  57          HG2       GLU  57 -12.239  -0.067  -3.354
  428   2HG   GLU  57          HG1       GLU  57 -12.650  -0.996  -1.912
  Start of MODEL   27
    1   1H    MET   1          HT1       MET   1  16.640  -1.283   4.825
    2   2H    MET   1          HT2       MET   1  17.577  -0.926   3.454
    3   3H    MET   1          HT3       MET   1  17.754  -2.421   4.242
    4    HA   MET   1           HA       MET   1  16.469  -2.848   2.305
    5   1HB   MET   1          HB2       MET   1  15.032  -2.668   4.955
    6   2HB   MET   1          HB1       MET   1  14.254  -3.392   3.547
    7   1HG   MET   1          HG2       MET   1  16.976  -4.248   4.560
    8   2HG   MET   1          HG1       MET   1  15.473  -5.036   5.039
    9   1HE   MET   1          HE1       MET   1  14.379  -7.190   3.082
   10   2HE   MET   1          HE2       MET   1  13.791  -5.979   1.946
   11   3HE   MET   1          HE3       MET   1  13.793  -5.629   3.672
   12    H    THR   2           HN       THR   2  13.986  -2.472   1.574
   13    HA   THR   2           HA       THR   2  13.721   0.471   1.137
   14    HB   THR   2           HB       THR   2  12.554  -1.946  -0.285
   15    HG1  THR   2           HG1      THR   2  14.584  -1.953  -0.899
   16   1HG2  THR   2          HG21      THR   2  11.898  -0.364  -2.024
   17   2HG2  THR   2          HG22      THR   2  12.588   0.972  -1.101
   18   3HG2  THR   2          HG23      THR   2  11.173   0.114  -0.487
   19    H    THR   3           HN       THR   3  12.316   1.377   2.598
   20    HA   THR   3           HA       THR   3  10.078  -0.174   3.687
   21    HB   THR   3           HB       THR   3  11.074   2.632   4.246
   22    HG1  THR   3           HG1      THR   3  12.404   1.737   5.641
   23   1HG2  THR   3          HG21      THR   3   9.127   0.793   5.645
   24   2HG2  THR   3          HG22      THR   3   8.842   2.433   5.060
   25   3HG2  THR   3          HG23      THR   3   9.884   2.164   6.457
   26    H    PHE   4           HN       PHE   4   8.309  -0.205   2.318
   27    HA   PHE   4           HA       PHE   4   7.654   2.127   0.624
   28   1HB   PHE   4          HB2       PHE   4   6.565  -0.661   1.046
   29   2HB   PHE   4          HB1       PHE   4   5.781   0.491  -0.033
   30    HD1  PHE   4           HD1      PHE   4   6.974   1.329  -2.047
   31    HD2  PHE   4           HD2      PHE   4   8.648  -1.702   0.493
   32    HE1  PHE   4           HE1      PHE   4   8.596   0.734  -3.826
   33    HE2  PHE   4           HE2      PHE   4  10.270  -2.296  -1.283
   34    HZ   PHE   4           HZ       PHE   4  10.243  -1.081  -3.441
   35    H    LYS   5           HN       LYS   5   5.190   2.710   0.620
   36    HA   LYS   5           HA       LYS   5   4.017   2.646   3.366
   37   1HB   LYS   5          HB2       LYS   5   5.471   4.678   2.986
   38   2HB   LYS   5          HB1       LYS   5   4.371   5.148   1.690
   39   1HG   LYS   5          HG2       LYS   5   2.486   5.073   3.351
   40   2HG   LYS   5          HG1       LYS   5   3.680   4.798   4.620
   41   1HD   LYS   5          HD2       LYS   5   4.112   7.109   2.775
   42   2HD   LYS   5          HD1       LYS   5   2.858   7.260   4.006
   43   1HE   LYS   5          HE2       LYS   5   4.555   7.880   5.402
   44   2HE   LYS   5          HE1       LYS   5   4.997   6.161   5.417
   45   1HZ   LYS   5          HZ1       LYS   5   6.236   6.593   3.315
   46   2HZ   LYS   5          HZ2       LYS   5   6.891   7.372   4.675
   47   3HZ   LYS   5          HZ3       LYS   5   5.973   8.252   3.548
   48    H    LEU   6           HN       LEU   6   2.032   1.728   2.979
   49    HA   LEU   6           HA       LEU   6   0.594   2.285   0.434
   50   1HB   LEU   6          HB2       LEU   6   1.018   0.010   1.745
   51   2HB   LEU   6          HB1       LEU   6  -0.382   0.528   2.668
   52    HG   LEU   6           HG       LEU   6  -0.224  -0.568  -0.071
   53   1HD1  LEU   6          HD11      LEU   6  -2.778  -0.831   0.641
   54   2HD1  LEU   6          HD12      LEU   6  -2.121  -0.456   2.234
   55   3HD1  LEU   6          HD13      LEU   6  -1.518  -1.850   1.336
   56   1HD2  LEU   6          HD21      LEU   6  -0.803   1.645  -0.841
   57   2HD2  LEU   6          HD22      LEU   6  -1.966   1.863   0.467
   58   3HD2  LEU   6          HD23      LEU   6  -2.297   0.706  -0.824
   59    H    ILE   7           HN       ILE   7  -0.677   4.142   0.529
   60    HA   ILE   7           HA       ILE   7  -1.633   5.302   2.984
   61    HB   ILE   7           HB       ILE   7  -1.265   6.181   0.479
   62   1HG1  ILE   7          HG12      ILE   7  -3.540   7.425   1.974
   63   2HG1  ILE   7          HG11      ILE   7  -1.947   7.343   2.726
   64   1HG2  ILE   7          HG21      ILE   7  -3.250   6.474  -0.796
   65   2HG2  ILE   7          HG22      ILE   7  -4.275   5.924   0.529
   66   3HG2  ILE   7          HG23      ILE   7  -3.252   4.773  -0.330
   67   1HD1  ILE   7          HD11      ILE   7  -0.964   8.456   0.745
   68   2HD1  ILE   7          HD12      ILE   7  -2.199   9.460   1.504
   69   3HD1  ILE   7          HD13      ILE   7  -2.570   8.573   0.026
   70    H    ILE   8           HN       ILE   8  -4.146   5.621   3.285
   71    HA   ILE   8           HA       ILE   8  -5.568   3.063   2.642
   72    HB   ILE   8           HB       ILE   8  -5.454   4.517   5.305
   73   1HG1  ILE   8          HG12      ILE   8  -4.316   1.815   4.519
   74   2HG1  ILE   8          HG11      ILE   8  -3.357   3.289   4.656
   75   1HG2  ILE   8          HG21      ILE   8  -6.595   1.777   4.784
   76   2HG2  ILE   8          HG22      ILE   8  -7.590   3.221   4.603
   77   3HG2  ILE   8          HG23      ILE   8  -6.867   2.839   6.164
   78   1HD1  ILE   8          HD11      ILE   8  -3.174   2.050   6.739
   79   2HD1  ILE   8          HD12      ILE   8  -4.930   1.946   6.871
   80   3HD1  ILE   8          HD13      ILE   8  -4.125   3.507   7.030
   81    H    ASN   9           HN       ASN   9  -6.432   4.710   0.957
   82    HA   ASN   9           HA       ASN   9  -8.411   6.622   2.088
   83   1HB   ASN   9          HB2       ASN   9  -6.807   6.309  -0.333
   84   2HB   ASN   9          HB1       ASN   9  -8.495   6.629  -0.726
   85   1HD2  ASN   9          HD21      ASN   9  -6.095   8.464  -0.950
   86   2HD2  ASN   9          HD22      ASN   9  -6.504   9.835  -0.036
   87    H    GLY  10           HN       GLY  10  -9.050   3.991   2.635
   88   1HA   GLY  10          HA2       GLY  10 -11.152   3.280   0.637
   89   2HA   GLY  10          HA1       GLY  10 -10.420   2.139   1.767
   90    H    LYS  11           HN       LYS  11 -13.217   2.506   1.548
   91    HA   LYS  11           HA       LYS  11 -14.169   4.246   3.693
   92   1HB   LYS  11          HB2       LYS  11 -15.434   3.585   1.629
   93   2HB   LYS  11          HB1       LYS  11 -15.510   1.936   2.251
   94   1HG   LYS  11          HG2       LYS  11 -17.076   2.460   3.834
   95   2HG   LYS  11          HG1       LYS  11 -16.396   4.061   4.124
   96   1HD   LYS  11          HD2       LYS  11 -18.381   4.623   3.052
   97   2HD   LYS  11          HD1       LYS  11 -17.276   4.539   1.680
   98   1HE   LYS  11          HE2       LYS  11 -18.642   2.005   2.501
   99   2HE   LYS  11          HE1       LYS  11 -19.598   3.223   1.634
  100   1HZ   LYS  11          HZ1       LYS  11 -18.517   1.885   0.007
  101   2HZ   LYS  11          HZ2       LYS  11 -17.015   2.027   0.788
  102   3HZ   LYS  11          HZ3       LYS  11 -17.715   3.379   0.033
  103    H    THR  12           HN       THR  12 -12.496   1.309   3.764
  104    HA   THR  12           HA       THR  12 -13.941   0.287   6.160
  105    HB   THR  12           HB       THR  12 -11.626  -0.941   4.644
  106    HG1  THR  12           HG1      THR  12 -13.203  -1.949   3.381
  107   1HG2  THR  12          HG21      THR  12 -12.083  -2.063   6.709
  108   2HG2  THR  12          HG22      THR  12 -12.814  -3.044   5.438
  109   3HG2  THR  12          HG23      THR  12 -13.824  -1.995   6.434
  110    H    LEU  13           HN       LEU  13 -10.864   1.670   5.093
  111    HA   LEU  13           HA       LEU  13 -10.057   1.917   7.967
  112   1HB   LEU  13          HB2       LEU  13  -8.532   0.728   5.643
  113   2HB   LEU  13          HB1       LEU  13  -7.710   1.306   7.092
  114    HG   LEU  13           HG       LEU  13  -9.986  -0.687   7.174
  115   1HD1  LEU  13          HD11      LEU  13  -8.064  -2.319   7.660
  116   2HD1  LEU  13          HD12      LEU  13  -6.998  -1.092   6.976
  117   3HD1  LEU  13          HD13      LEU  13  -8.262  -1.814   5.982
  118   1HD2  LEU  13          HD21      LEU  13  -8.900  -1.142   9.431
  119   2HD2  LEU  13          HD22      LEU  13  -9.669   0.437   9.277
  120   3HD2  LEU  13          HD23      LEU  13  -7.915   0.295   9.156
  121    H    LYS  14           HN       LYS  14  -8.265   3.556   8.212
  122    HA   LYS  14           HA       LYS  14  -7.955   5.483   5.976
  123   1HB   LYS  14          HB2       LYS  14 -10.039   5.773   7.687
  124   2HB   LYS  14          HB1       LYS  14  -8.791   6.640   8.585
  125   1HG   LYS  14          HG2       LYS  14  -8.293   7.959   6.514
  126   2HG   LYS  14          HG1       LYS  14  -9.663   7.171   5.730
  127   1HD   LYS  14          HD2       LYS  14 -10.105   8.483   8.385
  128   2HD   LYS  14          HD1       LYS  14  -9.965   9.506   6.955
  129   1HE   LYS  14          HE2       LYS  14 -11.850   8.498   5.909
  130   2HE   LYS  14          HE1       LYS  14 -11.831   7.121   7.028
  131   1HZ   LYS  14          HZ1       LYS  14 -12.269   8.639   8.856
  132   2HZ   LYS  14          HZ2       LYS  14 -13.498   8.756   7.687
  133   3HZ   LYS  14          HZ3       LYS  14 -12.300   9.957   7.788
  134    H    GLY  15           HN       GLY  15  -5.894   6.325   6.037
  135   1HA   GLY  15          HA2       GLY  15  -4.252   7.457   7.679
  136   2HA   GLY  15          HA1       GLY  15  -4.313   5.917   8.536
  137    H    GLU  16           HN       GLU  16  -2.342   4.989   8.175
  138    HA   GLU  16           HA       GLU  16  -1.648   4.161   5.448
  139   1HB   GLU  16          HB2       GLU  16   0.537   5.366   5.488
  140   2HB   GLU  16          HB1       GLU  16  -0.833   6.474   5.498
  141   1HG   GLU  16          HG2       GLU  16  -0.406   7.198   7.627
  142   2HG   GLU  16          HG1       GLU  16   0.153   5.615   8.166
  143    H    THR  17           HN       THR  17   0.225   2.678   5.463
  144    HA   THR  17           HA       THR  17   1.065   1.715   8.165
  145    HB   THR  17           HB       THR  17  -0.031   0.009   5.905
  146    HG1  THR  17           HG1      THR  17  -1.889   0.318   6.797
  147   1HG2  THR  17          HG21      THR  17   0.330  -0.912   8.729
  148   2HG2  THR  17          HG22      THR  17   1.744  -0.840   7.677
  149   3HG2  THR  17          HG23      THR  17   0.365  -1.847   7.234
  150    H    THR  18           HN       THR  18   3.178   0.893   8.177
  151    HA   THR  18           HA       THR  18   4.628   0.881   5.546
  152    HB   THR  18           HB       THR  18   6.562   1.705   6.914
  153    HG1  THR  18           HG1      THR  18   6.159   2.306   9.026
  154   1HG2  THR  18          HG21      THR  18   3.988   3.174   6.605
  155   2HG2  THR  18          HG22      THR  18   5.571   3.521   5.910
  156   3HG2  THR  18          HG23      THR  18   5.238   3.933   7.591
  157    H    THR  19           HN       THR  19   6.235  -0.752   5.300
  158    HA   THR  19           HA       THR  19   6.502  -2.776   7.473
  159    HB   THR  19           HB       THR  19   4.623  -3.463   6.039
  160    HG1  THR  19           HG1      THR  19   5.878  -5.135   6.759
  161   1HG2  THR  19          HG21      THR  19   6.523  -3.640   3.709
  162   2HG2  THR  19          HG22      THR  19   5.619  -2.159   4.021
  163   3HG2  THR  19          HG23      THR  19   4.760  -3.664   3.700
  164    H    GLU  20           HN       GLU  20   8.052  -4.624   6.282
  165    HA   GLU  20           HA       GLU  20  10.405  -3.070   5.255
  166   1HB   GLU  20          HB2       GLU  20  10.076  -5.513   7.008
  167   2HB   GLU  20          HB1       GLU  20  11.627  -5.101   6.274
  168   1HG   GLU  20          HG2       GLU  20  11.707  -2.992   7.413
  169   2HG   GLU  20          HG1       GLU  20  10.031  -3.143   7.940
  170    H    ALA  21           HN       ALA  21  10.403  -3.368   3.045
  171    HA   ALA  21           HA       ALA  21  10.252  -6.186   2.030
  172   1HB   ALA  21          HB1       ALA  21   8.567  -3.862   1.512
  173   2HB   ALA  21          HB2       ALA  21   8.313  -5.542   1.044
  174   3HB   ALA  21          HB3       ALA  21   9.278  -4.478   0.020
  175    H    VAL  22           HN       VAL  22  11.674  -6.623   0.280
  176    HA   VAL  22           HA       VAL  22  14.076  -5.047   0.097
  177    HB   VAL  22           HB       VAL  22  13.913  -7.491  -0.304
  178   1HG1  VAL  22          HG11      VAL  22  12.374  -6.644  -2.777
  179   2HG1  VAL  22          HG12      VAL  22  11.750  -7.593  -1.428
  180   3HG1  VAL  22          HG13      VAL  22  12.982  -8.273  -2.489
  181   1HG2  VAL  22          HG21      VAL  22  14.935  -5.705  -2.510
  182   2HG2  VAL  22          HG22      VAL  22  15.134  -7.455  -2.594
  183   3HG2  VAL  22          HG23      VAL  22  15.852  -6.550  -1.262
  184    H    ASP  23           HN       ASP  23  11.090  -5.147  -1.774
  185    HA   ASP  23           HA       ASP  23  11.531  -2.530  -2.928
  186   1HB   ASP  23          HB2       ASP  23  13.062  -4.332  -4.137
  187   2HB   ASP  23          HB1       ASP  23  11.565  -4.711  -4.989
  188    H    ALA  24           HN       ALA  24   9.855  -2.429  -4.990
  189    HA   ALA  24           HA       ALA  24   7.250  -2.621  -3.986
  190   1HB   ALA  24          HB1       ALA  24   7.659  -1.257  -5.869
  191   2HB   ALA  24          HB2       ALA  24   6.693  -2.581  -6.522
  192   3HB   ALA  24          HB3       ALA  24   8.441  -2.567  -6.753
  193    H    ALA  25           HN       ALA  25   9.206  -5.128  -5.451
  194    HA   ALA  25           HA       ALA  25   7.201  -6.956  -6.309
  195   1HB   ALA  25          HB1       ALA  25   9.720  -7.894  -4.981
  196   2HB   ALA  25          HB2       ALA  25   9.858  -6.877  -6.415
  197   3HB   ALA  25          HB3       ALA  25   9.002  -8.416  -6.505
  198    H    THR  26           HN       THR  26   8.621  -6.416  -3.092
  199    HA   THR  26           HA       THR  26   6.855  -8.524  -1.934
  200    HB   THR  26           HB       THR  26   8.984  -6.875  -0.558
  201    HG1  THR  26           HG1      THR  26   9.351  -9.320  -1.940
  202   1HG2  THR  26          HG21      THR  26   7.298  -8.499   0.610
  203   2HG2  THR  26          HG22      THR  26   9.008  -8.591   1.031
  204   3HG2  THR  26          HG23      THR  26   8.311  -9.766  -0.084
  205    H    ALA  27           HN       ALA  27   7.384  -5.043  -1.975
  206    HA   ALA  27           HA       ALA  27   5.875  -4.291   0.331
  207   1HB   ALA  27          HB1       ALA  27   6.250  -2.171  -0.486
  208   2HB   ALA  27          HB2       ALA  27   5.771  -2.610  -2.125
  209   3HB   ALA  27          HB3       ALA  27   7.377  -3.035  -1.533
  210    H    GLU  28           HN       GLU  28   4.792  -4.143  -3.086
  211    HA   GLU  28           HA       GLU  28   2.021  -3.750  -2.518
  212   1HB   GLU  28          HB2       GLU  28   3.327  -3.437  -4.690
  213   2HB   GLU  28          HB1       GLU  28   3.214  -5.185  -4.908
  214   1HG   GLU  28          HG2       GLU  28   0.722  -4.993  -4.716
  215   2HG   GLU  28          HG1       GLU  28   0.901  -3.239  -4.673
  216    H    LYS  29           HN       LYS  29   3.921  -6.730  -2.945
  217    HA   LYS  29           HA       LYS  29   1.806  -8.624  -3.054
  218   1HB   LYS  29          HB2       LYS  29   4.336  -8.891  -3.367
  219   2HB   LYS  29          HB1       LYS  29   4.441  -8.984  -1.609
  220   1HG   LYS  29          HG2       LYS  29   3.128 -10.964  -1.528
  221   2HG   LYS  29          HG1       LYS  29   2.578 -10.759  -3.192
  222   1HD   LYS  29          HD2       LYS  29   4.731 -11.294  -4.074
  223   2HD   LYS  29          HD1       LYS  29   5.491 -11.159  -2.487
  224   1HE   LYS  29          HE2       LYS  29   5.262 -13.470  -2.598
  225   2HE   LYS  29          HE1       LYS  29   3.676 -13.069  -1.910
  226   1HZ   LYS  29          HZ1       LYS  29   3.512 -14.459  -3.927
  227   2HZ   LYS  29          HZ2       LYS  29   4.262 -13.223  -4.820
  228   3HZ   LYS  29          HZ3       LYS  29   2.744 -12.957  -4.105
  229    H    VAL  30           HN       VAL  30   3.478  -7.236  -0.219
  230    HA   VAL  30           HA       VAL  30   1.817  -8.707   1.699
  231    HB   VAL  30           HB       VAL  30   3.764  -6.386   1.951
  232   1HG1  VAL  30          HG11      VAL  30   2.439  -6.378   3.931
  233   2HG1  VAL  30          HG12      VAL  30   3.897  -7.274   4.356
  234   3HG1  VAL  30          HG13      VAL  30   2.403  -8.140   4.004
  235   1HG2  VAL  30          HG21      VAL  30   5.401  -8.060   2.536
  236   2HG2  VAL  30          HG22      VAL  30   4.647  -8.572   1.027
  237   3HG2  VAL  30          HG23      VAL  30   4.177  -9.328   2.549
  238    H    PHE  31           HN       PHE  31   2.090  -5.313   0.603
  239    HA   PHE  31           HA       PHE  31  -0.006  -4.263   2.250
  240   1HB   PHE  31          HB2       PHE  31   1.403  -3.468  -0.286
  241   2HB   PHE  31          HB1       PHE  31   0.034  -2.514   0.282
  242    HD1  PHE  31           HD1      PHE  31   3.397  -2.375   0.244
  243    HD2  PHE  31           HD2      PHE  31   0.233  -2.477   3.150
  244    HE1  PHE  31           HE1      PHE  31   4.865  -1.241   1.889
  245    HE2  PHE  31           HE2      PHE  31   1.703  -1.342   4.791
  246    HZ   PHE  31           HZ       PHE  31   4.020  -0.725   4.161
  247    H    LYS  32           HN       LYS  32  -0.039  -5.832  -0.929
  248    HA   LYS  32           HA       LYS  32  -2.748  -5.175  -1.648
  249   1HB   LYS  32          HB2       LYS  32  -1.033  -6.063  -3.200
  250   2HB   LYS  32          HB1       LYS  32  -1.005  -7.584  -2.308
  251   1HG   LYS  32          HG2       LYS  32  -2.591  -8.277  -3.773
  252   2HG   LYS  32          HG1       LYS  32  -3.700  -7.262  -2.851
  253   1HD   LYS  32          HD2       LYS  32  -2.933  -5.333  -4.371
  254   2HD   LYS  32          HD1       LYS  32  -2.232  -6.581  -5.402
  255   1HE   LYS  32          HE2       LYS  32  -5.066  -6.967  -4.525
  256   2HE   LYS  32          HE1       LYS  32  -4.745  -5.752  -5.778
  257   1HZ   LYS  32          HZ1       LYS  32  -3.626  -8.500  -5.839
  258   2HZ   LYS  32          HZ2       LYS  32  -3.584  -7.340  -7.080
  259   3HZ   LYS  32          HZ3       LYS  32  -5.056  -8.064  -6.640
  260    H    GLN  33           HN       GLN  33  -1.308  -7.966   0.061
  261    HA   GLN  33           HA       GLN  33  -3.742  -9.403   0.526
  262   1HB   GLN  33          HB2       GLN  33  -1.433 -10.303   0.753
  263   2HB   GLN  33          HB1       GLN  33  -1.186  -9.262   2.156
  264   1HG   GLN  33          HG2       GLN  33  -1.878 -11.136   3.283
  265   2HG   GLN  33          HG1       GLN  33  -3.473 -10.480   2.912
  266   1HE2  GLN  33          HE21      GLN  33  -4.819 -11.696   1.515
  267   2HE2  GLN  33          HE22      GLN  33  -4.331 -13.129   0.747
  268    H    TYR  34           HN       TYR  34  -2.137  -6.801   2.199
  269    HA   TYR  34           HA       TYR  34  -3.698  -6.777   4.618
  270   1HB   TYR  34          HB2       TYR  34  -1.715  -5.549   4.720
  271   2HB   TYR  34          HB1       TYR  34  -1.880  -4.946   3.076
  272    HD1  TYR  34           HD1      TYR  34  -3.050  -4.551   6.567
  273    HD2  TYR  34           HD2      TYR  34  -2.999  -2.874   2.620
  274    HE1  TYR  34           HE1      TYR  34  -3.975  -2.424   7.460
  275    HE2  TYR  34           HE2      TYR  34  -3.922  -0.749   3.500
  276    HH   TYR  34           HH       TYR  34  -3.936   0.046   6.726
  277    H    ALA  35           HN       ALA  35  -3.929  -4.774   1.658
  278    HA   ALA  35           HA       ALA  35  -6.400  -3.488   2.306
  279   1HB   ALA  35          HB1       ALA  35  -5.370  -2.434   0.550
  280   2HB   ALA  35          HB2       ALA  35  -6.317  -3.557  -0.427
  281   3HB   ALA  35          HB3       ALA  35  -4.637  -3.931  -0.036
  282    H    ASN  36           HN       ASN  36  -5.715  -6.430   0.395
  283    HA   ASN  36           HA       ASN  36  -8.343  -7.035  -0.440
  284   1HB   ASN  36          HB2       ASN  36  -5.755  -8.409  -0.071
  285   2HB   ASN  36          HB1       ASN  36  -7.156  -9.479  -0.064
  286   1HD2  ASN  36          HD21      ASN  36  -4.959  -8.832  -2.192
  287   2HD2  ASN  36          HD22      ASN  36  -5.861  -8.550  -3.602
  288    H    ASP  37           HN       ASP  37  -6.690  -7.728   2.618
  289    HA   ASP  37           HA       ASP  37  -8.592  -9.534   3.753
  290   1HB   ASP  37          HB2       ASP  37  -6.180  -8.532   4.444
  291   2HB   ASP  37          HB1       ASP  37  -7.206  -7.541   5.482
  292    H    ASN  38           HN       ASN  38  -8.374  -5.973   3.888
  293    HA   ASN  38           HA       ASN  38 -10.861  -5.744   5.443
  294   1HB   ASN  38          HB2       ASN  38  -8.982  -3.770   4.105
  295   2HB   ASN  38          HB1       ASN  38 -10.345  -3.298   5.121
  296   1HD2  ASN  38          HD21      ASN  38  -7.035  -4.135   5.197
  297   2HD2  ASN  38          HD22      ASN  38  -6.896  -4.398   6.868
  298    H    GLY  39           HN       GLY  39  -9.762  -5.057   2.119
  299   1HA   GLY  39          HA2       GLY  39 -11.403  -5.632   0.304
  300   2HA   GLY  39          HA1       GLY  39 -12.636  -4.872   1.310
  301    H    ILE  40           HN       ILE  40  -9.332  -3.795   0.445
  302    HA   ILE  40           HA       ILE  40 -10.475  -1.149  -0.292
  303    HB   ILE  40           HB       ILE  40  -7.655  -2.162   0.207
  304   1HG1  ILE  40          HG12      ILE  40  -9.476  -0.339   1.814
  305   2HG1  ILE  40          HG11      ILE  40  -9.175  -2.037   2.178
  306   1HG2  ILE  40          HG21      ILE  40  -7.432   0.523   0.394
  307   2HG2  ILE  40          HG22      ILE  40  -8.706   0.436  -0.820
  308   3HG2  ILE  40          HG23      ILE  40  -7.147  -0.336  -1.122
  309   1HD1  ILE  40          HD11      ILE  40  -7.763  -0.077   3.329
  310   2HD1  ILE  40          HD12      ILE  40  -6.794  -0.262   1.867
  311   3HD1  ILE  40          HD13      ILE  40  -7.037  -1.637   2.943
  312    H    ASP  41           HN       ASP  41 -11.313  -2.606  -2.266
  313    HA   ASP  41           HA       ASP  41  -9.318  -3.062  -4.381
  314   1HB   ASP  41          HB2       ASP  41 -12.330  -3.245  -4.112
  315   2HB   ASP  41          HB1       ASP  41 -11.515  -3.542  -5.648
  316    H    GLY  42           HN       GLY  42  -8.890  -0.521  -3.817
  317   1HA   GLY  42          HA2       GLY  42 -10.676   1.259  -5.345
  318   2HA   GLY  42          HA1       GLY  42  -9.292   1.754  -4.367
  319    H    GLU  43           HN       GLU  43  -8.155   2.916  -5.852
  320    HA   GLU  43           HA       GLU  43  -7.279   1.512  -8.312
  321   1HB   GLU  43          HB2       GLU  43  -7.713   4.454  -7.718
  322   2HB   GLU  43          HB1       GLU  43  -7.063   3.838  -9.238
  323   1HG   GLU  43          HG2       GLU  43  -9.178   2.408  -9.397
  324   2HG   GLU  43          HG1       GLU  43  -9.822   3.395  -8.085
  325    H    TRP  44           HN       TRP  44  -5.318   0.693  -7.656
  326    HA   TRP  44           HA       TRP  44  -3.592   1.987  -5.784
  327   1HB   TRP  44          HB2       TRP  44  -3.326  -0.308  -7.714
  328   2HB   TRP  44          HB1       TRP  44  -2.010   0.169  -6.633
  329    HD1  TRP  44           HD1      TRP  44  -5.733  -0.839  -6.459
  330    HE1  TRP  44           HE1      TRP  44  -6.152  -1.956  -4.171
  331    HE3  TRP  44           HE3      TRP  44  -1.126  -0.254  -4.331
  332    HZ2  TRP  44           HZ2      TRP  44  -4.725  -2.505  -1.763
  333    HZ3  TRP  44           HZ3      TRP  44  -0.686  -1.083  -2.037
  334    HH2  TRP  44           HH2      TRP  44  -2.479  -2.214  -0.752
  335    H    THR  45           HN       THR  45  -1.776   3.158  -6.066
  336    HA   THR  45           HA       THR  45  -0.683   3.692  -8.759
  337    HB   THR  45           HB       THR  45  -0.831   6.208  -8.073
  338    HG1  THR  45           HG1      THR  45  -2.653   6.610  -6.760
  339   1HG2  THR  45          HG21      THR  45  -2.219   4.750  -9.813
  340   2HG2  THR  45          HG22      THR  45  -2.659   6.423  -9.466
  341   3HG2  THR  45          HG23      THR  45  -3.535   5.102  -8.693
  342    H    TYR  46           HN       TYR  46   1.510   3.818  -8.547
  343    HA   TYR  46           HA       TYR  46   2.622   4.041  -5.780
  344   1HB   TYR  46          HB2       TYR  46   3.072   1.937  -6.823
  345   2HB   TYR  46          HB1       TYR  46   3.461   2.693  -8.362
  346    HD1  TYR  46           HD1      TYR  46   4.683   2.030  -4.922
  347    HD2  TYR  46           HD2      TYR  46   5.642   3.620  -8.795
  348    HE1  TYR  46           HE1      TYR  46   7.079   2.052  -4.317
  349    HE2  TYR  46           HE2      TYR  46   8.044   3.649  -8.187
  350    HH   TYR  46           HH       TYR  46   9.302   1.973  -5.620
  351    H    ASP  47           HN       ASP  47   3.674   5.922  -5.332
  352    HA   ASP  47           HA       ASP  47   4.556   7.676  -7.574
  353   1HB   ASP  47          HB2       ASP  47   4.518   9.421  -5.832
  354   2HB   ASP  47          HB1       ASP  47   2.992   8.541  -5.848
  355    H    ASP  48           HN       ASP  48   6.687   7.551  -8.093
  356    HA   ASP  48           HA       ASP  48   8.652   6.199  -6.452
  357   1HB   ASP  48          HB2       ASP  48   8.586   6.378  -8.964
  358   2HB   ASP  48          HB1       ASP  48   9.039   8.076  -8.803
  359    H    ALA  49           HN       ALA  49   7.526   9.494  -6.588
  360    HA   ALA  49           HA       ALA  49   9.740  11.013  -5.812
  361   1HB   ALA  49          HB1       ALA  49   7.232  11.577  -6.293
  362   2HB   ALA  49          HB2       ALA  49   8.129  12.602  -5.173
  363   3HB   ALA  49          HB3       ALA  49   7.029  11.370  -4.554
  364    H    THR  50           HN       THR  50   7.658   8.963  -3.789
  365    HA   THR  50           HA       THR  50   9.742   9.005  -1.663
  366    HB   THR  50           HB       THR  50   7.976   9.542   0.010
  367    HG1  THR  50           HG1      THR  50   6.381  10.046  -2.277
  368   1HG2  THR  50          HG21      THR  50   8.000  11.601  -2.205
  369   2HG2  THR  50          HG22      THR  50   9.385  11.310  -1.152
  370   3HG2  THR  50          HG23      THR  50   7.864  11.885  -0.469
  371    H    LYS  51           HN       LYS  51   8.223   7.060  -3.660
  372    HA   LYS  51           HA       LYS  51   7.435   4.835  -3.619
  373   1HB   LYS  51          HB2       LYS  51   9.685   5.234  -1.879
  374   2HB   LYS  51          HB1       LYS  51   8.629   4.030  -1.140
  375   1HG   LYS  51          HG2       LYS  51   9.741   2.592  -2.521
  376   2HG   LYS  51          HG1       LYS  51   8.588   3.180  -3.721
  377   1HD   LYS  51          HD2       LYS  51  10.841   3.332  -4.647
  378   2HD   LYS  51          HD1       LYS  51  10.230   4.962  -4.354
  379   1HE   LYS  51          HE2       LYS  51  11.722   5.352  -2.635
  380   2HE   LYS  51          HE1       LYS  51  11.743   3.650  -2.131
  381   1HZ   LYS  51          HZ1       LYS  51  12.888   4.668  -4.678
  382   2HZ   LYS  51          HZ2       LYS  51  12.978   3.076  -4.091
  383   3HZ   LYS  51          HZ3       LYS  51  13.801   4.327  -3.290
  384    H    THR  52           HN       THR  52   5.174   5.418  -3.183
  385    HA   THR  52           HA       THR  52   4.267   4.436  -0.534
  386    HB   THR  52           HB       THR  52   3.609   7.176  -1.667
  387    HG1  THR  52           HG1      THR  52   5.436   7.577  -0.713
  388   1HG2  THR  52          HG21      THR  52   2.064   7.447   0.000
  389   2HG2  THR  52          HG22      THR  52   2.945   6.418   1.127
  390   3HG2  THR  52          HG23      THR  52   1.952   5.693  -0.136
  391    H    PHE  53           HN       PHE  53   2.983   2.779  -1.362
  392    HA   PHE  53           HA       PHE  53   1.479   2.863  -3.806
  393   1HB   PHE  53          HB2       PHE  53   1.136   1.296  -1.223
  394   2HB   PHE  53          HB1       PHE  53   0.294   0.918  -2.725
  395    HD1  PHE  53           HD1      PHE  53   1.603   0.250  -4.757
  396    HD2  PHE  53           HD2      PHE  53   3.423   0.706  -0.896
  397    HE1  PHE  53           HE1      PHE  53   3.572  -1.046  -5.534
  398    HE2  PHE  53           HE2      PHE  53   5.394  -0.589  -1.668
  399    HZ   PHE  53           HZ       PHE  53   5.467  -1.466  -3.989
  400    H    THR  54           HN       THR  54  -0.440   3.938  -4.232
  401    HA   THR  54           HA       THR  54  -1.978   4.949  -1.855
  402    HB   THR  54           HB       THR  54  -1.595   6.185  -4.594
  403    HG1  THR  54           HG1      THR  54  -0.464   6.780  -2.064
  404   1HG2  THR  54          HG21      THR  54  -3.653   6.638  -2.858
  405   2HG2  THR  54          HG22      THR  54  -3.011   7.853  -3.964
  406   3HG2  THR  54          HG23      THR  54  -2.467   7.812  -2.287
  407    H    VAL  55           HN       VAL  55  -3.719   3.468  -1.765
  408    HA   VAL  55           HA       VAL  55  -5.247   3.005  -4.252
  409    HB   VAL  55           HB       VAL  55  -4.481   1.027  -2.900
  410   1HG1  VAL  55          HG11      VAL  55  -5.416   0.557  -0.755
  411   2HG1  VAL  55          HG12      VAL  55  -6.518   1.938  -0.880
  412   3HG1  VAL  55          HG13      VAL  55  -4.786   2.208  -0.675
  413   1HG2  VAL  55          HG21      VAL  55  -6.553  -0.162  -3.050
  414   2HG2  VAL  55          HG22      VAL  55  -6.557   1.036  -4.344
  415   3HG2  VAL  55          HG23      VAL  55  -7.483   1.324  -2.871
  416    H    THR  56           HN       THR  56  -7.696   3.015  -3.902
  417    HA   THR  56           HA       THR  56  -8.722   4.702  -1.727
  418    HB   THR  56           HB       THR  56  -8.602   5.581  -4.624
  419    HG1  THR  56           HG1      THR  56  -7.151   7.039  -3.916
  420   1HG2  THR  56          HG21      THR  56  -9.656   7.673  -3.798
  421   2HG2  THR  56          HG22      THR  56  -9.825   6.940  -2.202
  422   3HG2  THR  56          HG23      THR  56 -10.712   6.277  -3.576
  423    H    GLU  57           HN       GLU  57 -10.486   3.409  -1.255
  424    HA   GLU  57           HA       GLU  57 -12.076   2.226  -3.484
  425   1HB   GLU  57          HB2       GLU  57 -11.114   1.168  -1.193
  426   2HB   GLU  57          HB1       GLU  57 -12.680   1.732  -0.607
  427   1HG   GLU  57          HG2       GLU  57 -12.305   0.004  -3.070
  428   2HG   GLU  57          HG1       GLU  57 -12.745  -0.617  -1.478
  Start of MODEL   28
    1   1H    MET   1          HT1       MET   1 -17.167   2.750   3.808
    2   2H    MET   1          HT2       MET   1 -16.539   1.250   4.302
    3   3H    MET   1          HT3       MET   1 -17.368   1.382   2.826
    4    HA   MET   1           HA       MET   1 -15.633   2.639   1.837
    5   1HB   MET   1          HB2       MET   1 -13.741   3.393   3.282
    6   2HB   MET   1          HB1       MET   1 -15.285   4.065   3.801
    7   1HG   MET   1          HG2       MET   1 -14.482   1.463   5.017
    8   2HG   MET   1          HG1       MET   1 -13.572   2.887   5.517
    9   1HE   MET   1          HE1       MET   1 -15.610   2.397   8.485
   10   2HE   MET   1          HE2       MET   1 -14.493   1.519   7.443
   11   3HE   MET   1          HE3       MET   1 -16.190   1.048   7.499
   12    H    THR   2           HN       THR   2 -13.678   1.646   1.022
   13    HA   THR   2           HA       THR   2 -13.470  -1.237   1.668
   14    HB   THR   2           HB       THR   2 -12.133   0.496  -0.436
   15    HG1  THR   2           HG1      THR   2 -14.471  -1.107  -0.486
   16   1HG2  THR   2          HG21      THR   2 -12.373  -2.491  -0.040
   17   2HG2  THR   2          HG22      THR   2 -10.898  -1.534  -0.184
   18   3HG2  THR   2          HG23      THR   2 -11.941  -1.766  -1.589
   19    H    THR   3           HN       THR   3 -12.110  -1.688   3.364
   20    HA   THR   3           HA       THR   3  -9.861   0.009   4.064
   21    HB   THR   3           HB       THR   3 -10.535  -2.746   5.099
   22    HG1  THR   3           HG1      THR   3 -11.692  -0.236   5.717
   23   1HG2  THR   3          HG21      THR   3  -8.508  -1.953   6.038
   24   2HG2  THR   3          HG22      THR   3  -9.737  -1.581   7.248
   25   3HG2  THR   3          HG23      THR   3  -9.128  -0.309   6.189
   26    H    PHE   4           HN       PHE   4  -8.213  -0.099   2.511
   27    HA   PHE   4           HA       PHE   4  -7.374  -2.701   1.386
   28   1HB   PHE   4          HB2       PHE   4  -6.541   0.193   1.064
   29   2HB   PHE   4          HB1       PHE   4  -5.725  -1.123   0.222
   30    HD1  PHE   4           HD1      PHE   4  -7.080  -2.625  -1.314
   31    HD2  PHE   4           HD2      PHE   4  -8.619   1.042   0.310
   32    HE1  PHE   4           HE1      PHE   4  -8.848  -2.595  -3.054
   33    HE2  PHE   4           HE2      PHE   4 -10.385   1.071  -1.429
   34    HZ   PHE   4           HZ       PHE   4 -10.499  -0.746  -3.111
   35    H    LYS   5           HN       LYS   5  -4.963  -3.227   1.482
   36    HA   LYS   5           HA       LYS   5  -3.696  -2.313   4.043
   37   1HB   LYS   5          HB2       LYS   5  -4.509  -5.012   3.093
   38   2HB   LYS   5          HB1       LYS   5  -2.942  -4.910   3.897
   39   1HG   LYS   5          HG2       LYS   5  -3.920  -3.969   5.875
   40   2HG   LYS   5          HG1       LYS   5  -5.471  -3.732   5.069
   41   1HD   LYS   5          HD2       LYS   5  -5.623  -6.222   4.767
   42   2HD   LYS   5          HD1       LYS   5  -4.166  -6.382   5.749
   43   1HE   LYS   5          HE2       LYS   5  -5.257  -5.468   7.685
   44   2HE   LYS   5          HE1       LYS   5  -6.654  -4.942   6.724
   45   1HZ   LYS   5          HZ1       LYS   5  -7.121  -7.225   6.163
   46   2HZ   LYS   5          HZ2       LYS   5  -7.056  -7.075   7.854
   47   3HZ   LYS   5          HZ3       LYS   5  -5.752  -7.760   7.008
   48    H    LEU   6           HN       LEU   6  -1.753  -1.408   3.500
   49    HA   LEU   6           HA       LEU   6  -0.361  -2.266   1.010
   50   1HB   LEU   6          HB2       LEU   6  -0.977   0.158   1.952
   51   2HB   LEU   6          HB1       LEU   6   0.530  -0.053   2.824
   52    HG   LEU   6           HG       LEU   6   0.063   0.483  -0.052
   53   1HD1  LEU   6          HD11      LEU   6   2.061   1.077   2.086
   54   2HD1  LEU   6          HD12      LEU   6   1.239   2.173   0.974
   55   3HD1  LEU   6          HD13      LEU   6   2.593   1.195   0.409
   56   1HD2  LEU   6          HD21      LEU   6   2.119  -1.576   0.815
   57   2HD2  LEU   6          HD22      LEU   6   2.278  -0.642  -0.674
   58   3HD2  LEU   6          HD23      LEU   6   0.908  -1.729  -0.457
   59    H    ILE   7           HN       ILE   7   1.101  -3.945   1.373
   60    HA   ILE   7           HA       ILE   7   2.263  -4.530   3.947
   61    HB   ILE   7           HB       ILE   7   1.879  -5.929   1.710
   62   1HG1  ILE   7          HG12      ILE   7   3.739  -7.486   2.503
   63   2HG1  ILE   7          HG11      ILE   7   4.135  -6.243   3.691
   64   1HG2  ILE   7          HG21      ILE   7   3.747  -4.359   0.632
   65   2HG2  ILE   7          HG22      ILE   7   3.607  -6.060   0.186
   66   3HG2  ILE   7          HG23      ILE   7   4.822  -5.553   1.359
   67   1HD1  ILE   7          HD11      ILE   7   2.174  -6.553   4.874
   68   2HD1  ILE   7          HD12      ILE   7   2.398  -8.188   4.252
   69   3HD1  ILE   7          HD13      ILE   7   1.277  -7.086   3.452
   70    H    ILE   8           HN       ILE   8   4.742  -4.441   4.292
   71    HA   ILE   8           HA       ILE   8   5.877  -1.965   3.029
   72    HB   ILE   8           HB       ILE   8   6.054  -2.866   5.923
   73   1HG1  ILE   8          HG12      ILE   8   4.563  -0.499   4.753
   74   2HG1  ILE   8          HG11      ILE   8   3.790  -2.032   5.156
   75   1HG2  ILE   8          HG21      ILE   8   7.148  -0.746   6.321
   76   2HG2  ILE   8          HG22      ILE   8   6.898  -0.251   4.647
   77   3HG2  ILE   8          HG23      ILE   8   8.013  -1.565   5.022
   78   1HD1  ILE   8          HD11      ILE   8   5.031  -0.004   6.996
   79   2HD1  ILE   8          HD12      ILE   8   4.922  -1.692   7.492
   80   3HD1  ILE   8          HD13      ILE   8   3.456  -0.789   7.111
   81    H    ASN   9           HN       ASN   9   6.873  -3.805   1.639
   82    HA   ASN   9           HA       ASN   9   9.097  -5.229   3.015
   83   1HB   ASN   9          HB2       ASN   9   7.395  -5.588   0.665
   84   2HB   ASN   9          HB1       ASN   9   9.097  -5.816   0.269
   85   1HD2  ASN   9          HD21      ASN   9   6.393  -7.460   1.394
   86   2HD2  ASN   9          HD22      ASN   9   7.173  -8.742   2.187
   87    H    GLY  10           HN       GLY  10   9.438  -2.499   3.008
   88   1HA   GLY  10          HA2       GLY  10  11.260  -1.879   0.736
   89   2HA   GLY  10          HA1       GLY  10  10.562  -0.690   1.841
   90    H    LYS  11           HN       LYS  11  13.276  -0.654   1.358
   91    HA   LYS  11           HA       LYS  11  14.673  -2.084   3.523
   92   1HB   LYS  11          HB2       LYS  11  15.548  -1.608   1.184
   93   2HB   LYS  11          HB1       LYS  11  15.662   0.088   1.655
   94   1HG   LYS  11          HG2       LYS  11  17.443  -0.277   3.053
   95   2HG   LYS  11          HG1       LYS  11  16.883  -1.884   3.516
   96   1HD   LYS  11          HD2       LYS  11  17.539  -2.725   1.261
   97   2HD   LYS  11          HD1       LYS  11  18.190  -1.129   0.886
   98   1HE   LYS  11          HE2       LYS  11  20.010  -1.391   2.288
   99   2HE   LYS  11          HE1       LYS  11  19.120  -2.434   3.415
  100   1HZ   LYS  11          HZ1       LYS  11  19.058  -4.146   1.676
  101   2HZ   LYS  11          HZ2       LYS  11  20.651  -3.765   2.129
  102   3HZ   LYS  11          HZ3       LYS  11  20.011  -3.163   0.674
  103    H    THR  12           HN       THR  12  12.635   0.502   3.620
  104    HA   THR  12           HA       THR  12  14.318   2.031   5.571
  105    HB   THR  12           HB       THR  12  11.815   2.945   4.136
  106    HG1  THR  12           HG1      THR  12  12.989   2.854   2.410
  107   1HG2  THR  12          HG21      THR  12  13.888   4.154   5.872
  108   2HG2  THR  12          HG22      THR  12  12.199   4.612   5.645
  109   3HG2  THR  12          HG23      THR  12  13.415   5.114   4.471
  110    H    LEU  13           HN       LEU  13  11.218   0.402   5.019
  111    HA   LEU  13           HA       LEU  13  10.728   0.508   7.969
  112   1HB   LEU  13          HB2       LEU  13   9.481   2.173   6.142
  113   2HB   LEU  13          HB1       LEU  13   8.328   0.849   6.298
  114    HG   LEU  13           HG       LEU  13   8.778   1.145   8.876
  115   1HD1  LEU  13          HD11      LEU  13   9.420   3.344   9.551
  116   2HD1  LEU  13          HD12      LEU  13   9.315   3.958   7.901
  117   3HD1  LEU  13          HD13      LEU  13  10.613   2.850   8.349
  118   1HD2  LEU  13          HD21      LEU  13   7.125   3.019   7.159
  119   2HD2  LEU  13          HD22      LEU  13   6.966   2.916   8.912
  120   3HD2  LEU  13          HD23      LEU  13   6.596   1.513   7.909
  121    H    LYS  14           HN       LYS  14   8.893  -1.055   8.546
  122    HA   LYS  14           HA       LYS  14   8.438  -3.248   6.612
  123   1HB   LYS  14          HB2       LYS  14  10.684  -3.445   7.953
  124   2HB   LYS  14          HB1       LYS  14   9.634  -3.900   9.296
  125   1HG   LYS  14          HG2       LYS  14   8.567  -5.539   7.534
  126   2HG   LYS  14          HG1       LYS  14  10.105  -5.328   6.696
  127   1HD   LYS  14          HD2       LYS  14  11.314  -6.012   8.739
  128   2HD   LYS  14          HD1       LYS  14   9.775  -6.233   9.572
  129   1HE   LYS  14          HE2       LYS  14   9.268  -8.173   8.410
  130   2HE   LYS  14          HE1       LYS  14  10.165  -7.663   6.966
  131   1HZ   LYS  14          HZ1       LYS  14  11.338  -9.396   8.252
  132   2HZ   LYS  14          HZ2       LYS  14  11.415  -8.336   9.578
  133   3HZ   LYS  14          HZ3       LYS  14  12.226  -7.956   8.135
  134    H    GLY  15           HN       GLY  15   6.546  -4.396   7.102
  135   1HA   GLY  15          HA2       GLY  15   5.106  -5.152   9.113
  136   2HA   GLY  15          HA1       GLY  15   5.025  -3.428   9.480
  137    H    GLU  16           HN       GLU  16   2.851  -3.057   9.086
  138    HA   GLU  16           HA       GLU  16   1.998  -3.106   6.250
  139   1HB   GLU  16          HB2       GLU  16   1.516  -5.300   7.712
  140   2HB   GLU  16          HB1       GLU  16   0.138  -4.334   8.242
  141   1HG   GLU  16          HG2       GLU  16   0.772  -4.564   5.311
  142   2HG   GLU  16          HG1       GLU  16  -0.122  -5.849   6.125
  143    H    THR  17           HN       THR  17   0.105  -1.750   5.905
  144    HA   THR  17           HA       THR  17  -0.708  -0.064   8.246
  145    HB   THR  17           HB       THR  17  -0.116   0.971   5.463
  146    HG1  THR  17           HG1      THR  17   1.891   1.592   6.331
  147   1HG2  THR  17          HG21      THR  17   0.193   3.103   6.837
  148   2HG2  THR  17          HG22      THR  17  -0.524   2.220   8.184
  149   3HG2  THR  17          HG23      THR  17  -1.458   2.495   6.714
  150    H    THR  18           HN       THR  18  -2.724   1.247   7.657
  151    HA   THR  18           HA       THR  18  -4.411   0.077   5.515
  152    HB   THR  18           HB       THR  18  -6.174  -0.445   7.239
  153    HG1  THR  18           HG1      THR  18  -5.720   0.575   9.038
  154   1HG2  THR  18          HG21      THR  18  -3.629  -1.908   7.915
  155   2HG2  THR  18          HG22      THR  18  -4.386  -2.084   6.332
  156   3HG2  THR  18          HG23      THR  18  -5.267  -2.549   7.786
  157    H    THR  19           HN       THR  19  -6.180   1.462   4.975
  158    HA   THR  19           HA       THR  19  -6.683   3.894   6.571
  159    HB   THR  19           HB       THR  19  -4.674   4.448   5.264
  160    HG1  THR  19           HG1      THR  19  -5.679   6.278   5.193
  161   1HG2  THR  19          HG21      THR  19  -6.026   4.317   2.648
  162   2HG2  THR  19          HG22      THR  19  -5.686   2.743   3.367
  163   3HG2  THR  19          HG23      THR  19  -4.373   3.886   3.084
  164    H    GLU  20           HN       GLU  20  -8.736   4.734   6.131
  165    HA   GLU  20           HA       GLU  20 -10.639   3.083   4.734
  166   1HB   GLU  20          HB2       GLU  20 -12.163   4.983   5.261
  167   2HB   GLU  20          HB1       GLU  20 -11.183   4.523   6.652
  168   1HG   GLU  20          HG2       GLU  20  -9.578   6.394   5.410
  169   2HG   GLU  20          HG1       GLU  20 -11.194   7.035   5.112
  170    H    ALA  21           HN       ALA  21 -11.004   3.011   2.561
  171    HA   ALA  21           HA       ALA  21 -10.687   5.483   0.930
  172   1HB   ALA  21          HB1       ALA  21  -9.512   2.970  -0.156
  173   2HB   ALA  21          HB2       ALA  21  -8.630   3.743   1.161
  174   3HB   ALA  21          HB3       ALA  21  -8.952   4.634  -0.326
  175    H    VAL  22           HN       VAL  22 -12.161   5.539  -0.769
  176    HA   VAL  22           HA       VAL  22 -14.445   3.844  -0.784
  177    HB   VAL  22           HB       VAL  22 -14.325   6.133  -1.705
  178   1HG1  VAL  22          HG11      VAL  22 -11.972   5.575  -2.744
  179   2HG1  VAL  22          HG12      VAL  22 -13.030   6.732  -3.549
  180   3HG1  VAL  22          HG13      VAL  22 -12.925   5.075  -4.141
  181   1HG2  VAL  22          HG21      VAL  22 -16.154   4.855  -2.548
  182   2HG2  VAL  22          HG22      VAL  22 -15.104   3.919  -3.612
  183   3HG2  VAL  22          HG23      VAL  22 -15.425   5.618  -3.961
  184    H    ASP  23           HN       ASP  23 -11.415   3.659  -2.614
  185    HA   ASP  23           HA       ASP  23 -11.732   0.824  -3.123
  186   1HB   ASP  23          HB2       ASP  23 -11.968   1.061  -5.609
  187   2HB   ASP  23          HB1       ASP  23 -13.372   1.653  -4.726
  188    H    ALA  24           HN       ALA  24 -10.053   0.403  -5.201
  189    HA   ALA  24           HA       ALA  24  -7.460   0.880  -4.213
  190   1HB   ALA  24          HB1       ALA  24  -7.446  -0.806  -5.755
  191   2HB   ALA  24          HB2       ALA  24  -7.087   0.494  -6.892
  192   3HB   ALA  24          HB3       ALA  24  -8.745  -0.075  -6.698
  193    H    ALA  25           HN       ALA  25  -9.499   2.907  -6.215
  194    HA   ALA  25           HA       ALA  25  -7.558   4.599  -7.429
  195   1HB   ALA  25          HB1       ALA  25  -9.420   5.939  -7.921
  196   2HB   ALA  25          HB2       ALA  25 -10.189   5.606  -6.369
  197   3HB   ALA  25          HB3       ALA  25 -10.171   4.370  -7.627
  198    H    THR  26           HN       THR  26  -9.338   5.080  -4.350
  199    HA   THR  26           HA       THR  26  -7.628   7.358  -3.609
  200    HB   THR  26           HB       THR  26  -9.755   5.831  -2.070
  201    HG1  THR  26           HG1      THR  26 -11.072   7.590  -2.841
  202   1HG2  THR  26          HG21      THR  26  -8.162   7.398  -0.823
  203   2HG2  THR  26          HG22      THR  26  -9.884   7.744  -0.657
  204   3HG2  THR  26          HG23      THR  26  -8.892   8.709  -1.751
  205    H    ALA  27           HN       ALA  27  -7.864   3.921  -2.901
  206    HA   ALA  27           HA       ALA  27  -6.363   3.809  -0.474
  207   1HB   ALA  27          HB1       ALA  27  -6.386   1.505  -0.883
  208   2HB   ALA  27          HB2       ALA  27  -6.168   1.714  -2.621
  209   3HB   ALA  27          HB3       ALA  27  -7.734   2.048  -1.883
  210    H    GLU  28           HN       GLU  28  -5.195   3.121  -3.797
  211    HA   GLU  28           HA       GLU  28  -2.411   3.058  -3.137
  212   1HB   GLU  28          HB2       GLU  28  -3.816   2.355  -5.256
  213   2HB   GLU  28          HB1       GLU  28  -3.456   3.995  -5.797
  214   1HG   GLU  28          HG2       GLU  28  -0.994   3.357  -5.076
  215   2HG   GLU  28          HG1       GLU  28  -1.581   1.709  -5.306
  216    H    LYS  29           HN       LYS  29  -4.571   5.735  -3.984
  217    HA   LYS  29           HA       LYS  29  -2.655   7.755  -4.552
  218   1HB   LYS  29          HB2       LYS  29  -5.173   7.807  -4.797
  219   2HB   LYS  29          HB1       LYS  29  -5.276   8.052  -3.053
  220   1HG   LYS  29          HG2       LYS  29  -4.361  10.186  -3.160
  221   2HG   LYS  29          HG1       LYS  29  -3.499   9.851  -4.662
  222   1HD   LYS  29          HD2       LYS  29  -6.499   9.808  -4.661
  223   2HD   LYS  29          HD1       LYS  29  -5.661  11.360  -4.700
  224   1HE   LYS  29          HE2       LYS  29  -4.356  10.562  -6.686
  225   2HE   LYS  29          HE1       LYS  29  -5.337   9.083  -6.686
  226   1HZ   LYS  29          HZ1       LYS  29  -6.477  11.824  -6.729
  227   2HZ   LYS  29          HZ2       LYS  29  -7.318  10.360  -6.920
  228   3HZ   LYS  29          HZ3       LYS  29  -6.239  10.887  -8.122
  229    H    VAL  30           HN       VAL  30  -4.082   6.805  -1.409
  230    HA   VAL  30           HA       VAL  30  -2.433   8.704   0.094
  231    HB   VAL  30           HB       VAL  30  -4.193   6.358   0.893
  232   1HG1  VAL  30          HG11      VAL  30  -2.777   6.785   2.756
  233   2HG1  VAL  30          HG12      VAL  30  -4.257   7.682   3.099
  234   3HG1  VAL  30          HG13      VAL  30  -2.832   8.529   2.497
  235   1HG2  VAL  30          HG21      VAL  30  -5.910   8.006   1.262
  236   2HG2  VAL  30          HG22      VAL  30  -5.263   8.293  -0.353
  237   3HG2  VAL  30          HG23      VAL  30  -4.777   9.330   0.988
  238    H    PHE  31           HN       PHE  31  -2.463   5.173  -0.440
  239    HA   PHE  31           HA       PHE  31  -0.238   4.565   1.275
  240   1HB   PHE  31          HB2       PHE  31  -1.653   3.251  -1.036
  241   2HB   PHE  31          HB1       PHE  31  -0.212   2.505  -0.349
  242    HD1  PHE  31           HD1      PHE  31  -0.375   2.982   2.493
  243    HD2  PHE  31           HD2      PHE  31  -3.545   2.118  -0.275
  244    HE1  PHE  31           HE1      PHE  31  -1.740   2.060   4.345
  245    HE2  PHE  31           HE2      PHE  31  -4.909   1.198   1.579
  246    HZ   PHE  31           HZ       PHE  31  -4.008   1.169   3.888
  247    H    LYS  32           HN       LYS  32  -0.459   5.549  -2.124
  248    HA   LYS  32           HA       LYS  32   2.260   4.988  -2.869
  249   1HB   LYS  32          HB2       LYS  32   0.421   5.461  -4.452
  250   2HB   LYS  32          HB1       LYS  32   0.287   7.105  -3.825
  251   1HG   LYS  32          HG2       LYS  32   2.173   7.817  -4.916
  252   2HG   LYS  32          HG1       LYS  32   2.990   6.264  -4.736
  253   1HD   LYS  32          HD2       LYS  32   0.587   6.427  -6.519
  254   2HD   LYS  32          HD1       LYS  32   2.127   7.050  -7.112
  255   1HE   LYS  32          HE2       LYS  32   2.020   4.321  -5.836
  256   2HE   LYS  32          HE1       LYS  32   1.567   4.528  -7.540
  257   1HZ   LYS  32          HZ1       LYS  32   4.093   5.467  -6.286
  258   2HZ   LYS  32          HZ2       LYS  32   3.648   5.713  -7.907
  259   3HZ   LYS  32          HZ3       LYS  32   3.945   4.141  -7.333
  260    H    GLN  33           HN       GLN  33   0.677   7.957  -1.644
  261    HA   GLN  33           HA       GLN  33   3.041   9.576  -1.523
  262   1HB   GLN  33          HB2       GLN  33   0.705  10.410  -1.440
  263   2HB   GLN  33          HB1       GLN  33   0.492   9.629   0.125
  264   1HG   GLN  33          HG2       GLN  33   0.988  12.011   0.441
  265   2HG   GLN  33          HG1       GLN  33   2.316  11.029   1.059
  266   1HE2  GLN  33          HE21      GLN  33   1.578  11.926  -2.356
  267   2HE2  GLN  33          HE22      GLN  33   3.058  12.710  -2.623
  268    H    TYR  34           HN       TYR  34   1.587   7.266   0.645
  269    HA   TYR  34           HA       TYR  34   3.160   7.782   3.001
  270   1HB   TYR  34          HB2       TYR  34   1.228   6.489   3.323
  271   2HB   TYR  34          HB1       TYR  34   1.482   5.558   1.853
  272    HD1  TYR  34           HD1      TYR  34   2.536   5.999   5.371
  273    HD2  TYR  34           HD2      TYR  34   2.808   3.546   1.861
  274    HE1  TYR  34           HE1      TYR  34   3.585   4.192   6.716
  275    HE2  TYR  34           HE2      TYR  34   3.858   1.739   3.195
  276    HH   TYR  34           HH       TYR  34   5.092   1.473   5.275
  277    H    ALA  35           HN       ALA  35   3.483   5.290   0.455
  278    HA   ALA  35           HA       ALA  35   6.019   4.266   1.282
  279   1HB   ALA  35          HB1       ALA  35   5.012   2.873  -0.238
  280   2HB   ALA  35          HB2       ALA  35   5.927   3.826  -1.407
  281   3HB   ALA  35          HB3       ALA  35   4.235   4.211  -1.090
  282    H    ASN  36           HN       ASN  36   5.155   6.867  -0.999
  283    HA   ASN  36           HA       ASN  36   7.723   7.414  -2.045
  284   1HB   ASN  36          HB2       ASN  36   5.276   8.307  -2.533
  285   2HB   ASN  36          HB1       ASN  36   5.768   9.606  -1.446
  286   1HD2  ASN  36          HD21      ASN  36   7.071  11.245  -2.332
  287   2HD2  ASN  36          HD22      ASN  36   7.802  11.165  -3.862
  288    H    ASP  37           HN       ASP  37   6.166   8.537   0.940
  289    HA   ASP  37           HA       ASP  37   8.119  10.497   1.697
  290   1HB   ASP  37          HB2       ASP  37   5.801  10.168   2.618
  291   2HB   ASP  37          HB1       ASP  37   6.385   8.728   3.453
  292    H    ASN  38           HN       ASN  38   7.869   7.004   2.364
  293    HA   ASN  38           HA       ASN  38  10.346   7.000   3.965
  294   1HB   ASN  38          HB2       ASN  38   8.339   4.946   3.010
  295   2HB   ASN  38          HB1       ASN  38   9.791   4.486   3.899
  296   1HD2  ASN  38          HD21      ASN  38   7.006   6.769   4.178
  297   2HD2  ASN  38          HD22      ASN  38   6.895   6.652   5.868
  298    H    GLY  39           HN       GLY  39   9.307   6.240   0.688
  299   1HA   GLY  39          HA2       GLY  39  10.873   6.267  -1.172
  300   2HA   GLY  39          HA1       GLY  39  12.153   5.784  -0.058
  301    H    ILE  40           HN       ILE  40   8.898   4.436  -0.691
  302    HA   ILE  40           HA       ILE  40  10.164   1.742  -0.931
  303    HB   ILE  40           HB       ILE  40   7.326   2.680  -0.391
  304   1HG1  ILE  40          HG12      ILE  40   9.368   1.308   1.387
  305   2HG1  ILE  40          HG11      ILE  40   9.002   3.032   1.428
  306   1HG2  ILE  40          HG21      ILE  40   6.920   0.593  -1.352
  307   2HG2  ILE  40          HG22      ILE  40   7.232   0.113   0.319
  308   3HG2  ILE  40          HG23      ILE  40   8.506  -0.032  -0.890
  309   1HD1  ILE  40          HD11      ILE  40   6.972   2.716   2.455
  310   2HD1  ILE  40          HD12      ILE  40   7.778   1.259   3.039
  311   3HD1  ILE  40          HD13      ILE  40   6.689   1.170   1.654
  312    H    ASP  41           HN       ASP  41  10.729   2.872  -3.215
  313    HA   ASP  41           HA       ASP  41   8.526   2.721  -5.176
  314   1HB   ASP  41          HB2       ASP  41  11.473   3.384  -5.175
  315   2HB   ASP  41          HB1       ASP  41  10.609   3.161  -6.697
  316    H    GLY  42           HN       GLY  42   8.514   0.307  -4.103
  317   1HA   GLY  42          HA2       GLY  42  10.408  -1.516  -5.419
  318   2HA   GLY  42          HA1       GLY  42   9.141  -1.965  -4.277
  319    H    GLU  43           HN       GLU  43   8.078  -3.509  -5.423
  320    HA   GLU  43           HA       GLU  43   6.975  -2.751  -8.069
  321   1HB   GLU  43          HB2       GLU  43   7.842  -5.382  -6.855
  322   2HB   GLU  43          HB1       GLU  43   6.874  -5.307  -8.328
  323   1HG   GLU  43          HG2       GLU  43   8.595  -4.010  -9.454
  324   2HG   GLU  43          HG1       GLU  43   9.539  -3.909  -7.968
  325    H    TRP  44           HN       TRP  44   4.972  -1.967  -7.507
  326    HA   TRP  44           HA       TRP  44   3.426  -2.969  -5.319
  327   1HB   TRP  44          HB2       TRP  44   2.899  -1.152  -7.659
  328   2HB   TRP  44          HB1       TRP  44   1.672  -1.493  -6.434
  329    HD1  TRP  44           HD1      TRP  44   5.299  -0.191  -6.665
  330    HE1  TRP  44           HE1      TRP  44   5.688   1.433  -4.697
  331    HE3  TRP  44           HE3      TRP  44   0.827  -0.647  -4.243
  332    HZ2  TRP  44           HZ2      TRP  44   4.288   2.391  -2.401
  333    HZ3  TRP  44           HZ3      TRP  44   0.384   0.631  -2.165
  334    HH2  TRP  44           HH2      TRP  44   2.108   2.155  -1.246
  335    H    THR  45           HN       THR  45   1.739  -4.332  -5.265
  336    HA   THR  45           HA       THR  45   0.606  -5.481  -7.750
  337    HB   THR  45           HB       THR  45   0.891  -7.752  -6.364
  338    HG1  THR  45           HG1      THR  45   2.763  -7.764  -5.193
  339   1HG2  THR  45          HG21      THR  45   1.776  -7.823  -8.495
  340   2HG2  THR  45          HG22      THR  45   3.264  -7.871  -7.551
  341   3HG2  THR  45          HG23      THR  45   2.723  -6.353  -8.266
  342    H    TYR  46           HN       TYR  46  -1.578  -5.699  -7.447
  343    HA   TYR  46           HA       TYR  46  -2.624  -5.254  -4.686
  344   1HB   TYR  46          HB2       TYR  46  -3.283  -3.587  -6.276
  345   2HB   TYR  46          HB1       TYR  46  -3.633  -4.790  -7.510
  346    HD1  TYR  46           HD1      TYR  46  -4.779  -3.487  -4.198
  347    HD2  TYR  46           HD2      TYR  46  -5.787  -5.742  -7.711
  348    HE1  TYR  46           HE1      TYR  46  -7.146  -3.526  -3.492
  349    HE2  TYR  46           HE2      TYR  46  -8.160  -5.789  -7.000
  350    HH   TYR  46           HH       TYR  46  -9.632  -4.141  -5.419
  351    H    ASP  47           HN       ASP  47  -3.172  -7.156  -3.702
  352    HA   ASP  47           HA       ASP  47  -3.939  -9.545  -5.243
  353   1HB   ASP  47          HB2       ASP  47  -3.700  -8.905  -2.283
  354   2HB   ASP  47          HB1       ASP  47  -4.002 -10.518  -2.929
  355    H    ASP  48           HN       ASP  48  -6.009  -9.340  -6.092
  356    HA   ASP  48           HA       ASP  48  -8.191  -7.940  -4.864
  357   1HB   ASP  48          HB2       ASP  48  -9.504  -9.147  -6.601
  358   2HB   ASP  48          HB1       ASP  48  -8.015  -8.467  -7.259
  359    H    ALA  49           HN       ALA  49  -6.939 -11.183  -4.425
  360    HA   ALA  49           HA       ALA  49  -9.153 -12.585  -3.427
  361   1HB   ALA  49          HB1       ALA  49  -7.495 -14.001  -2.403
  362   2HB   ALA  49          HB2       ALA  49  -6.339 -12.672  -2.313
  363   3HB   ALA  49          HB3       ALA  49  -6.773 -13.359  -3.878
  364    H    THR  50           HN       THR  50  -7.105 -10.194  -1.796
  365    HA   THR  50           HA       THR  50  -9.116 -10.030   0.401
  366    HB   THR  50           HB       THR  50  -7.236 -10.138   2.039
  367    HG1  THR  50           HG1      THR  50  -5.722 -10.897  -0.233
  368   1HG2  THR  50          HG21      THR  50  -7.118 -12.474   2.050
  369   2HG2  THR  50          HG22      THR  50  -7.036 -12.575   0.292
  370   3HG2  THR  50          HG23      THR  50  -8.562 -12.181   1.082
  371    H    LYS  51           HN       LYS  51  -7.787  -8.324  -1.952
  372    HA   LYS  51           HA       LYS  51  -7.189  -6.066  -2.289
  373   1HB   LYS  51          HB2       LYS  51  -9.343  -6.347  -0.377
  374   2HB   LYS  51          HB1       LYS  51  -8.398  -4.909   0.008
  375   1HG   LYS  51          HG2       LYS  51  -9.780  -3.972  -1.566
  376   2HG   LYS  51          HG1       LYS  51  -8.549  -4.607  -2.659
  377   1HD   LYS  51          HD2       LYS  51  -9.870  -6.407  -3.322
  378   2HD   LYS  51          HD1       LYS  51 -10.825  -6.382  -1.840
  379   1HE   LYS  51          HE2       LYS  51 -11.336  -3.880  -2.963
  380   2HE   LYS  51          HE1       LYS  51 -11.306  -4.973  -4.361
  381   1HZ   LYS  51          HZ1       LYS  51 -13.495  -4.907  -3.246
  382   2HZ   LYS  51          HZ2       LYS  51 -12.772  -5.515  -1.833
  383   3HZ   LYS  51          HZ3       LYS  51 -12.804  -6.457  -3.247
  384    H    THR  52           HN       THR  52  -4.894  -6.268  -1.873
  385    HA   THR  52           HA       THR  52  -4.023  -4.838   0.568
  386    HB   THR  52           HB       THR  52  -3.119  -7.651  -0.129
  387    HG1  THR  52           HG1      THR  52  -4.748  -8.199   1.045
  388   1HG2  THR  52          HG21      THR  52  -1.493  -5.953   0.994
  389   2HG2  THR  52          HG22      THR  52  -1.681  -7.546   1.725
  390   3HG2  THR  52          HG23      THR  52  -2.519  -6.157   2.413
  391    H    PHE  53           HN       PHE  53  -2.879  -3.244  -0.520
  392    HA   PHE  53           HA       PHE  53  -1.435  -3.566  -2.979
  393   1HB   PHE  53          HB2       PHE  53  -1.251  -1.626  -0.654
  394   2HB   PHE  53          HB1       PHE  53  -0.332  -1.416  -2.144
  395    HD1  PHE  53           HD1      PHE  53  -1.437  -0.884  -4.247
  396    HD2  PHE  53           HD2      PHE  53  -3.679  -1.393  -0.624
  397    HE1  PHE  53           HE1      PHE  53  -3.417   0.150  -5.330
  398    HE2  PHE  53           HE2      PHE  53  -5.660  -0.359  -1.701
  399    HZ   PHE  53           HZ       PHE  53  -5.528   0.413  -4.055
  400    H    THR  54           HN       THR  54   0.489  -4.660  -3.296
  401    HA   THR  54           HA       THR  54   2.203  -5.122  -0.868
  402    HB   THR  54           HB       THR  54   1.784  -6.846  -3.323
  403    HG1  THR  54           HG1      THR  54   0.267  -7.795  -2.214
  404   1HG2  THR  54          HG21      THR  54   3.980  -6.891  -1.783
  405   2HG2  THR  54          HG22      THR  54   3.262  -8.366  -2.429
  406   3HG2  THR  54          HG23      THR  54   2.925  -7.875  -0.769
  407    H    VAL  55           HN       VAL  55   3.794  -3.496  -1.149
  408    HA   VAL  55           HA       VAL  55   5.241  -3.437  -3.727
  409    HB   VAL  55           HB       VAL  55   4.336  -1.286  -2.789
  410   1HG1  VAL  55          HG11      VAL  55   6.451  -1.619  -0.676
  411   2HG1  VAL  55          HG12      VAL  55   4.745  -1.957  -0.379
  412   3HG1  VAL  55          HG13      VAL  55   5.257  -0.320  -0.805
  413   1HG2  VAL  55          HG21      VAL  55   7.351  -1.341  -2.773
  414   2HG2  VAL  55          HG22      VAL  55   6.304   0.003  -3.227
  415   3HG2  VAL  55          HG23      VAL  55   6.392  -1.430  -4.251
  416    H    THR  56           HN       THR  56   7.683  -3.186  -3.457
  417    HA   THR  56           HA       THR  56   8.890  -4.264  -1.007
  418    HB   THR  56           HB       THR  56   8.792  -5.777  -3.633
  419    HG1  THR  56           HG1      THR  56   7.341  -6.991  -2.686
  420   1HG2  THR  56          HG21      THR  56   9.844  -7.153  -1.260
  421   2HG2  THR  56          HG22      THR  56  10.851  -5.804  -1.786
  422   3HG2  THR  56          HG23      THR  56  10.475  -7.113  -2.906
  423    H    GLU  57           HN       GLU  57  10.535  -2.741  -0.919
  424    HA   GLU  57           HA       GLU  57  11.852  -1.769  -3.370
  425   1HB   GLU  57          HB2       GLU  57  11.187  -0.606  -1.058
  426   2HB   GLU  57          HB1       GLU  57  12.797  -1.160  -0.597
  427   1HG   GLU  57          HG2       GLU  57  13.450  -0.125  -2.958
  428   2HG   GLU  57          HG1       GLU  57  12.005   0.845  -2.671
  Start of MODEL   29
    1   1H    MET   1          HT1       MET   1 -16.174   0.717   5.287
    2   2H    MET   1          HT2       MET   1 -16.379   2.380   5.566
    3   3H    MET   1          HT3       MET   1 -14.934   1.611   6.022
    4    HA   MET   1           HA       MET   1 -15.892   2.219   3.278
    5   1HB   MET   1          HB2       MET   1 -13.699   3.017   5.167
    6   2HB   MET   1          HB1       MET   1 -13.395   3.101   3.432
    7   1HG   MET   1          HG2       MET   1 -14.298   5.198   3.719
    8   2HG   MET   1          HG1       MET   1 -15.794   4.299   3.470
    9   1HE   MET   1          HE1       MET   1 -15.457   7.257   5.353
   10   2HE   MET   1          HE2       MET   1 -13.849   6.549   5.227
   11   3HE   MET   1          HE3       MET   1 -14.554   6.838   6.815
   12    H    THR   2           HN       THR   2 -13.669   1.728   1.876
   13    HA   THR   2           HA       THR   2 -13.451  -1.205   1.891
   14    HB   THR   2           HB       THR   2 -12.188   0.948   0.161
   15    HG1  THR   2           HG1      THR   2 -14.064   1.053  -0.738
   16   1HG2  THR   2          HG21      THR   2 -12.535  -2.035  -0.244
   17   2HG2  THR   2          HG22      THR   2 -11.008  -1.178  -0.026
   18   3HG2  THR   2          HG23      THR   2 -11.969  -0.912  -1.482
   19    H    THR   3           HN       THR   3 -12.015  -2.076   3.340
   20    HA   THR   3           HA       THR   3  -9.674  -0.633   4.266
   21    HB   THR   3           HB       THR   3 -11.005  -2.072   5.739
   22    HG1  THR   3           HG1      THR   3  -9.177  -2.392   6.674
   23   1HG2  THR   3          HG21      THR   3 -10.105  -4.645   4.760
   24   2HG2  THR   3          HG22      THR   3 -11.033  -3.805   3.517
   25   3HG2  THR   3          HG23      THR   3 -11.746  -4.100   5.103
   26    H    PHE   4           HN       PHE   4  -8.041  -0.436   2.751
   27    HA   PHE   4           HA       PHE   4  -7.396  -2.679   0.928
   28   1HB   PHE   4          HB2       PHE   4  -6.522   0.186   1.310
   29   2HB   PHE   4          HB1       PHE   4  -5.683  -0.881   0.185
   30    HD1  PHE   4           HD1      PHE   4  -8.753   0.987   0.873
   31    HD2  PHE   4           HD2      PHE   4  -6.861  -1.808  -1.784
   32    HE1  PHE   4           HE1      PHE   4 -10.512   1.409  -0.822
   33    HE2  PHE   4           HE2      PHE   4  -8.623  -1.388  -3.479
   34    HZ   PHE   4           HZ       PHE   4 -10.448   0.221  -2.998
   35    H    LYS   5           HN       LYS   5  -5.059  -3.370   0.771
   36    HA   LYS   5           HA       LYS   5  -3.639  -3.196   3.410
   37   1HB   LYS   5          HB2       LYS   5  -4.432  -5.532   1.692
   38   2HB   LYS   5          HB1       LYS   5  -3.003  -5.656   2.719
   39   1HG   LYS   5          HG2       LYS   5  -4.236  -5.420   4.693
   40   2HG   LYS   5          HG1       LYS   5  -5.587  -4.639   3.871
   41   1HD   LYS   5          HD2       LYS   5  -6.400  -6.662   3.007
   42   2HD   LYS   5          HD1       LYS   5  -4.847  -7.476   3.196
   43   1HE   LYS   5          HE2       LYS   5  -6.225  -6.457   5.662
   44   2HE   LYS   5          HE1       LYS   5  -6.800  -7.964   4.919
   45   1HZ   LYS   5          HZ1       LYS   5  -4.957  -8.295   6.532
   46   2HZ   LYS   5          HZ2       LYS   5  -3.947  -7.386   5.513
   47   3HZ   LYS   5          HZ3       LYS   5  -4.602  -8.858   4.972
   48    H    LEU   6           HN       LEU   6  -1.629  -2.343   3.106
   49    HA   LEU   6           HA       LEU   6  -0.354  -2.531   0.408
   50   1HB   LEU   6          HB2       LEU   6  -0.900  -0.386   1.903
   51   2HB   LEU   6          HB1       LEU   6   0.612  -0.822   2.676
   52    HG   LEU   6           HG       LEU   6   0.125   0.413   0.036
   53   1HD1  LEU   6          HD11      LEU   6   2.200   0.373   2.186
   54   2HD1  LEU   6          HD12      LEU   6   1.388   1.743   1.428
   55   3HD1  LEU   6          HD13      LEU   6   2.685   0.907   0.577
   56   1HD2  LEU   6          HD21      LEU   6   2.076  -1.894   0.287
   57   2HD2  LEU   6          HD22      LEU   6   2.307  -0.599  -0.889
   58   3HD2  LEU   6          HD23      LEU   6   0.871  -1.620  -0.971
   59    H    ILE   7           HN       ILE   7   1.024  -4.329   0.363
   60    HA   ILE   7           HA       ILE   7   2.215  -5.527   2.681
   61    HB   ILE   7           HB       ILE   7   1.799  -6.307   0.167
   62   1HG1  ILE   7          HG12      ILE   7   3.750  -7.992   0.558
   63   2HG1  ILE   7          HG11      ILE   7   3.922  -7.161   2.103
   64   1HG2  ILE   7          HG21      ILE   7   3.521  -6.090  -1.346
   65   2HG2  ILE   7          HG22      ILE   7   4.749  -5.938  -0.092
   66   3HG2  ILE   7          HG23      ILE   7   3.714  -4.566  -0.483
   67   1HD1  ILE   7          HD11      ILE   7   1.248  -8.177   1.139
   68   2HD1  ILE   7          HD12      ILE   7   1.719  -7.728   2.778
   69   3HD1  ILE   7          HD13      ILE   7   2.355  -9.203   2.051
   70    H    ILE   8           HN       ILE   8   4.688  -5.583   3.033
   71    HA   ILE   8           HA       ILE   8   5.903  -2.916   2.399
   72    HB   ILE   8           HB       ILE   8   5.958  -4.446   5.023
   73   1HG1  ILE   8          HG12      ILE   8   4.599  -1.820   4.337
   74   2HG1  ILE   8          HG11      ILE   8   3.759  -3.369   4.425
   75   1HG2  ILE   8          HG21      ILE   8   7.972  -2.968   4.332
   76   2HG2  ILE   8          HG22      ILE   8   7.239  -2.668   5.907
   77   3HG2  ILE   8          HG23      ILE   8   6.869  -1.610   4.546
   78   1HD1  ILE   8          HD11      ILE   8   4.542  -3.618   6.781
   79   2HD1  ILE   8          HD12      ILE   8   3.514  -2.203   6.555
   80   3HD1  ILE   8          HD13      ILE   8   5.263  -2.012   6.681
   81    H    ASN   9           HN       ASN   9   6.873  -4.437   0.649
   82    HA   ASN   9           HA       ASN   9   9.041  -6.183   1.711
   83   1HB   ASN   9          HB2       ASN   9   7.550  -5.811  -0.856
   84   2HB   ASN   9          HB1       ASN   9   9.178  -6.479  -0.945
   85   1HD2  ASN   9          HD21      ASN   9   6.607  -7.911  -1.458
   86   2HD2  ASN   9          HD22      ASN   9   6.563  -9.195  -0.348
   87    H    GLY  10           HN       GLY  10   9.505  -3.545   2.283
   88   1HA   GLY  10          HA2       GLY  10  11.425  -2.606   0.194
   89   2HA   GLY  10          HA1       GLY  10  10.661  -1.558   1.392
   90    H    LYS  11           HN       LYS  11  13.444  -1.608   1.068
   91    HA   LYS  11           HA       LYS  11  14.676  -3.355   3.058
   92   1HB   LYS  11          HB2       LYS  11  16.679  -2.003   2.490
   93   2HB   LYS  11          HB1       LYS  11  15.839  -2.552   1.042
   94   1HG   LYS  11          HG2       LYS  11  14.959  -0.416   0.589
   95   2HG   LYS  11          HG1       LYS  11  15.212   0.142   2.242
   96   1HD   LYS  11          HD2       LYS  11  17.691  -0.060   1.854
   97   2HD   LYS  11          HD1       LYS  11  17.342  -0.402   0.159
   98   1HE   LYS  11          HE2       LYS  11  15.855   1.856   0.506
   99   2HE   LYS  11          HE1       LYS  11  17.200   2.173   1.620
  100   1HZ   LYS  11          HZ1       LYS  11  18.769   1.734  -0.085
  101   2HZ   LYS  11          HZ2       LYS  11  17.637   2.816  -0.744
  102   3HZ   LYS  11          HZ3       LYS  11  17.574   1.167  -1.147
  103    H    THR  12           HN       THR  12  12.713  -0.637   3.407
  104    HA   THR  12           HA       THR  12  14.173   0.323   5.834
  105    HB   THR  12           HB       THR  12  11.853   1.568   4.331
  106    HG1  THR  12           HG1      THR  12  13.316   1.801   2.842
  107   1HG2  THR  12          HG21      THR  12  13.951   2.812   6.123
  108   2HG2  THR  12          HG22      THR  12  12.345   2.335   6.676
  109   3HG2  THR  12          HG23      THR  12  12.519   3.598   5.457
  110    H    LEU  13           HN       LEU  13  11.179  -1.144   4.691
  111    HA   LEU  13           HA       LEU  13  10.329  -1.470   7.549
  112   1HB   LEU  13          HB2       LEU  13   8.638  -0.684   5.153
  113   2HB   LEU  13          HB1       LEU  13   8.008  -1.011   6.768
  114    HG   LEU  13           HG       LEU  13   9.967   0.801   7.349
  115   1HD1  LEU  13          HD11      LEU  13  10.324   2.335   5.680
  116   2HD1  LEU  13          HD12      LEU  13   8.722   2.102   4.980
  117   3HD1  LEU  13          HD13      LEU  13  10.004   0.936   4.656
  118   1HD2  LEU  13          HD21      LEU  13   7.155   1.542   6.482
  119   2HD2  LEU  13          HD22      LEU  13   8.163   2.394   7.652
  120   3HD2  LEU  13          HD23      LEU  13   7.539   0.788   8.029
  121    H    LYS  14           HN       LYS  14   8.742  -3.301   7.781
  122    HA   LYS  14           HA       LYS  14   8.653  -5.271   5.576
  123   1HB   LYS  14          HB2       LYS  14  10.791  -5.262   7.289
  124   2HB   LYS  14          HB1       LYS  14   9.695  -6.365   8.120
  125   1HG   LYS  14          HG2       LYS  14   9.857  -7.964   6.498
  126   2HG   LYS  14          HG1       LYS  14   9.934  -6.779   5.195
  127   1HD   LYS  14          HD2       LYS  14  12.236  -7.122   7.111
  128   2HD   LYS  14          HD1       LYS  14  12.070  -8.162   5.696
  129   1HE   LYS  14          HE2       LYS  14  11.965  -6.117   4.252
  130   2HE   LYS  14          HE1       LYS  14  12.286  -5.131   5.693
  131   1HZ   LYS  14          HZ1       LYS  14  14.324  -6.248   6.059
  132   2HZ   LYS  14          HZ2       LYS  14  14.314  -5.819   4.416
  133   3HZ   LYS  14          HZ3       LYS  14  13.988  -7.421   4.881
  134    H    GLY  15           HN       GLY  15   6.643  -6.203   5.663
  135   1HA   GLY  15          HA2       GLY  15   5.232  -7.609   7.330
  136   2HA   GLY  15          HA1       GLY  15   5.162  -6.105   8.248
  137    H    GLU  16           HN       GLU  16   2.995  -5.601   8.026
  138    HA   GLU  16           HA       GLU  16   2.085  -4.872   5.281
  139   1HB   GLU  16          HB2       GLU  16   0.690  -6.705   7.257
  140   2HB   GLU  16          HB1       GLU  16  -0.076  -6.062   5.804
  141   1HG   GLU  16          HG2       GLU  16   2.081  -7.042   4.621
  142   2HG   GLU  16          HG1       GLU  16   2.128  -8.077   6.050
  143    H    THR  17           HN       THR  17  -0.080  -3.646   5.478
  144    HA   THR  17           HA       THR  17  -0.570  -2.333   8.080
  145    HB   THR  17           HB       THR  17   1.329  -1.097   7.125
  146    HG1  THR  17           HG1      THR  17   0.281   0.950   6.988
  147   1HG2  THR  17          HG21      THR  17   1.207  -1.537   4.801
  148   2HG2  THR  17          HG22      THR  17   0.844   0.183   4.943
  149   3HG2  THR  17          HG23      THR  17  -0.462  -0.976   4.698
  150    H    THR  18           HN       THR  18  -2.566  -1.044   8.015
  151    HA   THR  18           HA       THR  18  -4.233  -1.387   5.557
  152    HB   THR  18           HB       THR  18  -6.081  -2.095   7.184
  153    HG1  THR  18           HG1      THR  18  -5.250  -2.958   9.150
  154   1HG2  THR  18          HG21      THR  18  -5.210  -4.430   7.332
  155   2HG2  THR  18          HG22      THR  18  -3.624  -3.835   6.843
  156   3HG2  THR  18          HG23      THR  18  -4.990  -3.718   5.734
  157    H    THR  19           HN       THR  19  -5.859   0.222   5.334
  158    HA   THR  19           HA       THR  19  -6.099   2.295   7.455
  159    HB   THR  19           HB       THR  19  -4.224   2.961   5.999
  160    HG1  THR  19           HG1      THR  19  -5.468   4.642   6.712
  161   1HG2  THR  19          HG21      THR  19  -5.983   3.325   3.635
  162   2HG2  THR  19          HG22      THR  19  -5.508   1.667   4.000
  163   3HG2  THR  19          HG23      THR  19  -4.275   2.894   3.712
  164    H    GLU  20           HN       GLU  20  -7.958   3.765   6.998
  165    HA   GLU  20           HA       GLU  20 -10.185   2.294   5.731
  166   1HB   GLU  20          HB2       GLU  20  -9.842   4.759   7.442
  167   2HB   GLU  20          HB1       GLU  20 -11.401   4.369   6.714
  168   1HG   GLU  20          HG2       GLU  20 -11.430   2.202   7.826
  169   2HG   GLU  20          HG1       GLU  20  -9.809   2.474   8.466
  170    H    ALA  21           HN       ALA  21 -10.223   2.534   3.506
  171    HA   ALA  21           HA       ALA  21 -10.127   5.332   2.425
  172   1HB   ALA  21          HB1       ALA  21  -8.633   4.648   0.785
  173   2HB   ALA  21          HB2       ALA  21  -9.210   2.982   0.812
  174   3HB   ALA  21          HB3       ALA  21  -8.149   3.568   2.094
  175    H    VAL  22           HN       VAL  22 -11.784   5.810   0.992
  176    HA   VAL  22           HA       VAL  22 -14.129   4.192   0.856
  177    HB   VAL  22           HB       VAL  22 -14.034   6.639   0.539
  178   1HG1  VAL  22          HG11      VAL  22 -11.846   6.277  -0.944
  179   2HG1  VAL  22          HG12      VAL  22 -12.882   7.686  -1.166
  180   3HG1  VAL  22          HG13      VAL  22 -13.025   6.306  -2.254
  181   1HG2  VAL  22          HG21      VAL  22 -15.760   5.006  -0.643
  182   2HG2  VAL  22          HG22      VAL  22 -14.989   5.611  -2.109
  183   3HG2  VAL  22          HG23      VAL  22 -15.772   6.734  -0.997
  184    H    ASP  23           HN       ASP  23 -11.298   4.382  -1.251
  185    HA   ASP  23           HA       ASP  23 -11.865   1.811  -2.465
  186   1HB   ASP  23          HB2       ASP  23 -12.246   2.753  -4.777
  187   2HB   ASP  23          HB1       ASP  23 -13.554   3.089  -3.646
  188    H    ALA  24           HN       ALA  24 -10.323   1.629  -4.546
  189    HA   ALA  24           HA       ALA  24  -7.651   1.901  -3.702
  190   1HB   ALA  24          HB1       ALA  24  -8.458   0.377  -5.457
  191   2HB   ALA  24          HB2       ALA  24  -7.148   1.382  -6.078
  192   3HB   ALA  24          HB3       ALA  24  -8.821   1.756  -6.496
  193    H    ALA  25           HN       ALA  25  -9.695   4.151  -5.493
  194    HA   ALA  25           HA       ALA  25  -7.702   5.933  -6.487
  195   1HB   ALA  25          HB1       ALA  25 -10.588   5.839  -6.037
  196   2HB   ALA  25          HB2       ALA  25  -9.689   6.615  -7.339
  197   3HB   ALA  25          HB3       ALA  25  -9.946   7.466  -5.817
  198    H    THR  26           HN       THR  26  -9.079   5.551  -3.270
  199    HA   THR  26           HA       THR  26  -7.577   7.960  -2.315
  200    HB   THR  26           HB       THR  26  -9.708   6.336  -0.900
  201    HG1  THR  26           HG1      THR  26 -10.692   7.067  -2.708
  202   1HG2  THR  26          HG21      THR  26  -8.988   9.252  -0.587
  203   2HG2  THR  26          HG22      THR  26  -8.199   7.983   0.350
  204   3HG2  THR  26          HG23      THR  26  -9.937   8.243   0.505
  205    H    ALA  27           HN       ALA  27  -7.899   4.472  -1.973
  206    HA   ALA  27           HA       ALA  27  -6.479   4.062   0.465
  207   1HB   ALA  27          HB1       ALA  27  -6.177   2.206  -1.871
  208   2HB   ALA  27          HB2       ALA  27  -7.798   2.503  -1.242
  209   3HB   ALA  27          HB3       ALA  27  -6.553   1.830  -0.189
  210    H    GLU  28           HN       GLU  28  -5.227   3.893  -2.893
  211    HA   GLU  28           HA       GLU  28  -2.464   3.605  -2.225
  212   1HB   GLU  28          HB2       GLU  28  -3.679   3.295  -4.454
  213   2HB   GLU  28          HB1       GLU  28  -3.619   5.050  -4.626
  214   1HG   GLU  28          HG2       GLU  28  -1.213   5.053  -4.588
  215   2HG   GLU  28          HG1       GLU  28  -1.163   3.350  -4.131
  216    H    LYS  29           HN       LYS  29  -4.515   6.481  -2.483
  217    HA   LYS  29           HA       LYS  29  -2.514   8.498  -2.586
  218   1HB   LYS  29          HB2       LYS  29  -5.059   8.646  -2.801
  219   2HB   LYS  29          HB1       LYS  29  -5.113   8.631  -1.038
  220   1HG   LYS  29          HG2       LYS  29  -4.189  10.731  -0.851
  221   2HG   LYS  29          HG1       LYS  29  -3.240  10.558  -2.329
  222   1HD   LYS  29          HD2       LYS  29  -6.204  10.584  -2.628
  223   2HD   LYS  29          HD1       LYS  29  -5.428  12.114  -2.213
  224   1HE   LYS  29          HE2       LYS  29  -3.888  11.842  -4.151
  225   2HE   LYS  29          HE1       LYS  29  -4.739  10.347  -4.590
  226   1HZ   LYS  29          HZ1       LYS  29  -5.737  12.152  -5.781
  227   2HZ   LYS  29          HZ2       LYS  29  -5.915  13.067  -4.360
  228   3HZ   LYS  29          HZ3       LYS  29  -6.826  11.650  -4.581
  229    H    VAL  30           HN       VAL  30  -3.924   6.804   0.217
  230    HA   VAL  30           HA       VAL  30  -2.313   8.319   2.152
  231    HB   VAL  30           HB       VAL  30  -4.059   5.839   2.361
  232   1HG1  VAL  30          HG11      VAL  30  -2.653   5.856   4.285
  233   2HG1  VAL  30          HG12      VAL  30  -4.162   6.607   4.808
  234   3HG1  VAL  30          HG13      VAL  30  -2.760   7.611   4.439
  235   1HG2  VAL  30          HG21      VAL  30  -4.667   8.726   3.068
  236   2HG2  VAL  30          HG22      VAL  30  -5.787   7.365   3.130
  237   3HG2  VAL  30          HG23      VAL  30  -5.188   7.943   1.576
  238    H    PHE  31           HN       PHE  31  -2.367   4.988   0.854
  239    HA   PHE  31           HA       PHE  31  -0.119   4.023   2.362
  240   1HB   PHE  31          HB2       PHE  31  -1.602   3.236  -0.134
  241   2HB   PHE  31          HB1       PHE  31  -0.130   2.374   0.305
  242    HD1  PHE  31           HD1      PHE  31  -0.200   2.227   3.208
  243    HD2  PHE  31           HD2      PHE  31  -3.429   1.885   0.395
  244    HE1  PHE  31           HE1      PHE  31  -1.482   0.877   4.844
  245    HE2  PHE  31           HE2      PHE  31  -4.709   0.537   2.034
  246    HZ   PHE  31           HZ       PHE  31  -3.737   0.034   4.257
  247    H    LYS  32           HN       LYS  32  -0.386   5.586  -0.825
  248    HA   LYS  32           HA       LYS  32   2.322   5.212  -1.670
  249   1HB   LYS  32          HB2       LYS  32   0.424   5.970  -3.091
  250   2HB   LYS  32          HB1       LYS  32   0.386   7.498  -2.210
  251   1HG   LYS  32          HG2       LYS  32   1.762   8.170  -3.916
  252   2HG   LYS  32          HG1       LYS  32   3.001   7.441  -2.895
  253   1HD   LYS  32          HD2       LYS  32   2.559   5.256  -4.126
  254   2HD   LYS  32          HD1       LYS  32   1.599   6.196  -5.269
  255   1HE   LYS  32          HE2       LYS  32   3.453   7.272  -6.151
  256   2HE   LYS  32          HE1       LYS  32   4.363   7.167  -4.631
  257   1HZ   LYS  32          HZ1       LYS  32   5.120   5.576  -6.375
  258   2HZ   LYS  32          HZ2       LYS  32   3.609   4.808  -6.269
  259   3HZ   LYS  32          HZ3       LYS  32   4.647   4.836  -4.925
  260    H    GLN  33           HN       GLN  33   0.755   7.884   0.121
  261    HA   GLN  33           HA       GLN  33   3.085   9.511   0.454
  262   1HB   GLN  33          HB2       GLN  33   0.728  10.219   0.820
  263   2HB   GLN  33          HB1       GLN  33   0.647   9.158   2.226
  264   1HG   GLN  33          HG2       GLN  33   1.097  11.481   2.916
  265   2HG   GLN  33          HG1       GLN  33   2.464  10.439   3.303
  266   1HE2  GLN  33          HE21      GLN  33   1.574  11.863   0.116
  267   2HE2  GLN  33          HE22      GLN  33   3.023  12.725  -0.070
  268    H    TYR  34           HN       TYR  34   1.791   6.806   2.225
  269    HA   TYR  34           HA       TYR  34   3.506   6.925   4.537
  270   1HB   TYR  34          HB2       TYR  34   1.615   5.585   4.797
  271   2HB   TYR  34          HB1       TYR  34   1.693   4.975   3.149
  272    HD1  TYR  34           HD1      TYR  34   2.855   2.948   2.633
  273    HD2  TYR  34           HD2      TYR  34   3.163   4.693   6.538
  274    HE1  TYR  34           HE1      TYR  34   3.952   0.883   3.456
  275    HE2  TYR  34           HE2      TYR  34   4.262   2.628   7.377
  276    HH   TYR  34           HH       TYR  34   5.624   0.373   5.473
  277    H    ALA  35           HN       ALA  35   3.691   5.047   1.500
  278    HA   ALA  35           HA       ALA  35   6.304   3.918   2.071
  279   1HB   ALA  35          HB1       ALA  35   5.111   2.637   0.568
  280   2HB   ALA  35          HB2       ALA  35   5.989   3.635  -0.591
  281   3HB   ALA  35          HB3       ALA  35   4.328   4.044  -0.159
  282    H    ASN  36           HN       ASN  36   5.174   6.580  -0.037
  283    HA   ASN  36           HA       ASN  36   7.628   7.310  -1.207
  284   1HB   ASN  36          HB2       ASN  36   5.207   8.113  -1.609
  285   2HB   ASN  36          HB1       ASN  36   5.511   9.270  -0.312
  286   1HD2  ASN  36          HD21      ASN  36   7.195   8.102  -3.296
  287   2HD2  ASN  36          HD22      ASN  36   7.725   9.644  -3.770
  288    H    ASP  37           HN       ASP  37   6.237   8.290   1.917
  289    HA   ASP  37           HA       ASP  37   8.382  10.149   2.577
  290   1HB   ASP  37          HB2       ASP  37   5.899   9.937   3.396
  291   2HB   ASP  37          HB1       ASP  37   6.563   8.781   4.551
  292    H    ASN  38           HN       ASN  38   7.735   6.726   3.147
  293    HA   ASN  38           HA       ASN  38   9.908   6.379   5.082
  294   1HB   ASN  38          HB2       ASN  38   7.835   4.755   3.684
  295   2HB   ASN  38          HB1       ASN  38   9.253   3.890   4.276
  296   1HD2  ASN  38          HD21      ASN  38   6.251   5.303   5.226
  297   2HD2  ASN  38          HD22      ASN  38   6.453   5.139   6.903
  298    H    GLY  39           HN       GLY  39   9.384   5.687   1.627
  299   1HA   GLY  39          HA2       GLY  39  11.365   6.043   0.131
  300   2HA   GLY  39          HA1       GLY  39  12.330   5.228   1.363
  301    H    ILE  40           HN       ILE  40   9.102   4.247   0.264
  302    HA   ILE  40           HA       ILE  40  10.278   1.625  -0.557
  303    HB   ILE  40           HB       ILE  40   7.469   2.513   0.183
  304   1HG1  ILE  40          HG12      ILE  40   9.463   0.730   1.617
  305   2HG1  ILE  40          HG11      ILE  40   9.148   2.415   2.030
  306   1HG2  ILE  40          HG21      ILE  40   8.568  -0.068  -0.884
  307   2HG2  ILE  40          HG22      ILE  40   7.009   0.693  -1.212
  308   3HG2  ILE  40          HG23      ILE  40   7.284  -0.138   0.321
  309   1HD1  ILE  40          HD11      ILE  40   7.129   1.939   2.999
  310   2HD1  ILE  40          HD12      ILE  40   7.858   0.345   3.200
  311   3HD1  ILE  40          HD13      ILE  40   6.764   0.652   1.850
  312    H    ASP  41           HN       ASP  41  10.887   3.209  -2.538
  313    HA   ASP  41           HA       ASP  41   8.690   3.559  -4.479
  314   1HB   ASP  41          HB2       ASP  41  10.836   5.014  -3.988
  315   2HB   ASP  41          HB1       ASP  41  11.633   3.848  -5.045
  316    H    GLY  42           HN       GLY  42   8.648   0.949  -3.955
  317   1HA   GLY  42          HA2       GLY  42  10.494  -0.561  -5.668
  318   2HA   GLY  42          HA1       GLY  42   9.209  -1.233  -4.662
  319    H    GLU  43           HN       GLU  43   8.109  -2.438  -6.133
  320    HA   GLU  43           HA       GLU  43   7.054  -1.066  -8.538
  321   1HB   GLU  43          HB2       GLU  43   7.675  -3.979  -7.972
  322   2HB   GLU  43          HB1       GLU  43   6.937  -3.398  -9.466
  323   1HG   GLU  43          HG2       GLU  43   8.887  -2.089 -10.008
  324   2HG   GLU  43          HG1       GLU  43   9.602  -2.403  -8.426
  325    H    TRP  44           HN       TRP  44   5.045  -0.383  -7.880
  326    HA   TRP  44           HA       TRP  44   3.460  -1.792  -5.951
  327   1HB   TRP  44          HB2       TRP  44   3.014   0.522  -7.822
  328   2HB   TRP  44          HB1       TRP  44   1.759  -0.048  -6.714
  329    HD1  TRP  44           HD1      TRP  44   5.425   1.152  -6.626
  330    HE1  TRP  44           HE1      TRP  44   5.850   2.251  -4.330
  331    HE3  TRP  44           HE3      TRP  44   0.919   0.287  -4.386
  332    HZ2  TRP  44           HZ2      TRP  44   4.461   2.688  -1.879
  333    HZ3  TRP  44           HZ3      TRP  44   0.498   1.054  -2.067
  334    HH2  TRP  44           HH2      TRP  44   2.264   2.259  -0.811
  335    H    THR  45           HN       THR  45   1.713  -3.058  -6.202
  336    HA   THR  45           HA       THR  45   0.569  -3.597  -8.877
  337    HB   THR  45           HB       THR  45   0.806  -6.131  -8.065
  338    HG1  THR  45           HG1      THR  45   2.869  -6.366  -7.065
  339   1HG2  THR  45          HG21      THR  45   1.663  -5.430 -10.180
  340   2HG2  THR  45          HG22      THR  45   3.006  -6.206  -9.340
  341   3HG2  THR  45          HG23      THR  45   2.915  -4.446  -9.422
  342    H    TYR  46           HN       TYR  46  -1.615  -3.833  -8.626
  343    HA   TYR  46           HA       TYR  46  -2.662  -4.010  -5.834
  344   1HB   TYR  46          HB2       TYR  46  -3.236  -1.997  -7.013
  345   2HB   TYR  46          HB1       TYR  46  -3.654  -2.885  -8.472
  346    HD1  TYR  46           HD1      TYR  46  -5.863  -3.565  -8.867
  347    HD2  TYR  46           HD2      TYR  46  -4.699  -2.399  -4.900
  348    HE1  TYR  46           HE1      TYR  46  -8.231  -3.650  -8.145
  349    HE2  TYR  46           HE2      TYR  46  -7.061  -2.482  -4.179
  350    HH   TYR  46           HH       TYR  46  -9.362  -2.245  -5.397
  351    H    ASP  47           HN       ASP  47  -3.231  -6.098  -5.343
  352    HA   ASP  47           HA       ASP  47  -4.110  -7.999  -7.414
  353   1HB   ASP  47          HB2       ASP  47  -3.287  -7.979  -4.557
  354   2HB   ASP  47          HB1       ASP  47  -4.407  -9.259  -5.025
  355    H    ASP  48           HN       ASP  48  -6.211  -7.800  -8.090
  356    HA   ASP  48           HA       ASP  48  -8.315  -6.568  -6.534
  357   1HB   ASP  48          HB2       ASP  48  -8.105  -6.705  -9.042
  358   2HB   ASP  48          HB1       ASP  48  -8.501  -8.420  -8.929
  359    H    ALA  49           HN       ALA  49  -7.085  -9.833  -6.731
  360    HA   ALA  49           HA       ALA  49  -9.288 -11.415  -6.042
  361   1HB   ALA  49          HB1       ALA  49  -7.257 -12.568  -4.651
  362   2HB   ALA  49          HB2       ALA  49  -6.346 -11.469  -5.686
  363   3HB   ALA  49          HB3       ALA  49  -7.411 -12.677  -6.404
  364    H    THR  50           HN       THR  50  -7.306  -9.350  -3.942
  365    HA   THR  50           HA       THR  50  -9.387  -9.564  -1.826
  366    HB   THR  50           HB       THR  50  -7.595 -10.081  -0.165
  367    HG1  THR  50           HG1      THR  50  -5.703  -9.552  -0.940
  368   1HG2  THR  50          HG21      THR  50  -8.962 -11.846  -1.436
  369   2HG2  THR  50          HG22      THR  50  -7.470 -12.398  -0.674
  370   3HG2  THR  50          HG23      THR  50  -7.515 -12.098  -2.412
  371    H    LYS  51           HN       LYS  51  -7.971  -7.476  -3.732
  372    HA   LYS  51           HA       LYS  51  -7.295  -5.216  -3.599
  373   1HB   LYS  51          HB2       LYS  51  -9.470  -5.806  -1.809
  374   2HB   LYS  51          HB1       LYS  51  -8.458  -4.570  -1.067
  375   1HG   LYS  51          HG2       LYS  51  -9.675  -3.144  -2.363
  376   2HG   LYS  51          HG1       LYS  51  -8.559  -3.653  -3.632
  377   1HD   LYS  51          HD2       LYS  51 -10.804  -3.903  -4.497
  378   2HD   LYS  51          HD1       LYS  51 -10.175  -5.520  -4.180
  379   1HE   LYS  51          HE2       LYS  51 -11.301  -5.045  -1.778
  380   2HE   LYS  51          HE1       LYS  51 -12.351  -4.032  -2.787
  381   1HZ   LYS  51          HZ1       LYS  51 -12.679  -5.880  -4.284
  382   2HZ   LYS  51          HZ2       LYS  51 -13.118  -6.347  -2.710
  383   3HZ   LYS  51          HZ3       LYS  51 -11.638  -6.858  -3.369
  384    H    THR  52           HN       THR  52  -5.012  -5.491  -3.266
  385    HA   THR  52           HA       THR  52  -4.074  -4.669  -0.595
  386    HB   THR  52           HB       THR  52  -3.288  -7.321  -1.844
  387    HG1  THR  52           HG1      THR  52  -4.446  -8.174  -0.088
  388   1HG2  THR  52          HG21      THR  52  -1.760  -7.586  -0.147
  389   2HG2  THR  52          HG22      THR  52  -2.683  -6.594   0.981
  390   3HG2  THR  52          HG23      THR  52  -1.709  -5.828  -0.274
  391    H    PHE  53           HN       PHE  53  -2.909  -2.917  -1.421
  392    HA   PHE  53           HA       PHE  53  -1.452  -2.852  -3.888
  393   1HB   PHE  53          HB2       PHE  53  -1.094  -1.359  -1.264
  394   2HB   PHE  53          HB1       PHE  53  -0.352  -0.881  -2.791
  395    HD1  PHE  53           HD1      PHE  53  -1.786  -0.205  -4.722
  396    HD2  PHE  53           HD2      PHE  53  -3.406  -0.942  -0.816
  397    HE1  PHE  53           HE1      PHE  53  -3.863   0.994  -5.360
  398    HE2  PHE  53           HE2      PHE  53  -5.486   0.255  -1.450
  399    HZ   PHE  53           HZ       PHE  53  -5.713   1.224  -3.724
  400    H    THR  54           HN       THR  54   0.485  -3.834  -4.402
  401    HA   THR  54           HA       THR  54   2.138  -4.872  -2.112
  402    HB   THR  54           HB       THR  54   1.672  -5.977  -4.895
  403    HG1  THR  54           HG1      THR  54   0.748  -6.736  -2.329
  404   1HG2  THR  54          HG21      THR  54   3.253  -7.552  -4.499
  405   2HG2  THR  54          HG22      THR  54   2.775  -7.731  -2.812
  406   3HG2  THR  54          HG23      THR  54   3.863  -6.428  -3.286
  407    H    VAL  55           HN       VAL  55   3.795  -3.288  -1.993
  408    HA   VAL  55           HA       VAL  55   5.269  -2.671  -4.481
  409    HB   VAL  55           HB       VAL  55   4.413  -0.773  -3.060
  410   1HG1  VAL  55          HG11      VAL  55   6.534  -1.619  -1.101
  411   2HG1  VAL  55          HG12      VAL  55   4.828  -2.017  -0.879
  412   3HG1  VAL  55          HG13      VAL  55   5.341  -0.326  -0.911
  413   1HG2  VAL  55          HG21      VAL  55   6.413   0.529  -3.215
  414   2HG2  VAL  55          HG22      VAL  55   6.465  -0.639  -4.536
  415   3HG2  VAL  55          HG23      VAL  55   7.426  -0.908  -3.082
  416    H    THR  56           HN       THR  56   7.710  -2.571  -4.164
  417    HA   THR  56           HA       THR  56   8.870  -4.221  -2.029
  418    HB   THR  56           HB       THR  56   8.724  -5.088  -4.931
  419    HG1  THR  56           HG1      THR  56   7.208  -6.392  -4.281
  420   1HG2  THR  56          HG21      THR  56  10.424  -6.528  -4.561
  421   2HG2  THR  56          HG22      THR  56   9.728  -7.052  -3.028
  422   3HG2  THR  56          HG23      THR  56  10.759  -5.622  -3.085
  423    H    GLU  57           HN       GLU  57  10.566  -2.818  -1.596
  424    HA   GLU  57           HA       GLU  57  12.080  -1.642  -3.894
  425   1HB   GLU  57          HB2       GLU  57  10.943  -0.470  -1.731
  426   2HB   GLU  57          HB1       GLU  57  12.549  -0.801  -1.080
  427   1HG   GLU  57          HG2       GLU  57  12.077   0.584  -3.732
  428   2HG   GLU  57          HG1       GLU  57  12.329   1.447  -2.214
  Start of MODEL   30
    1   1H    MET   1          HT1       MET   1  17.393  -1.705   5.263
    2   2H    MET   1          HT2       MET   1  15.935  -0.954   5.705
    3   3H    MET   1          HT3       MET   1  17.004  -0.176   4.638
    4    HA   MET   1           HA       MET   1  16.654  -2.063   3.041
    5   1HB   MET   1          HB2       MET   1  15.033  -2.788   5.421
    6   2HB   MET   1          HB1       MET   1  14.273  -3.100   3.861
    7   1HG   MET   1          HG2       MET   1  17.110  -3.961   4.413
    8   2HG   MET   1          HG1       MET   1  15.741  -4.977   4.865
    9   1HE   MET   1          HE1       MET   1  16.843  -6.978   2.885
   10   2HE   MET   1          HE2       MET   1  15.271  -7.054   2.095
   11   3HE   MET   1          HE3       MET   1  15.366  -6.694   3.816
   12    H    THR   2           HN       THR   2  14.206  -2.187   1.951
   13    HA   THR   2           HA       THR   2  13.468   0.659   1.555
   14    HB   THR   2           HB       THR   2  12.596  -1.892   0.157
   15    HG1  THR   2           HG1      THR   2  14.687  -1.758  -0.288
   16   1HG2  THR   2          HG21      THR   2  11.898  -0.414  -1.641
   17   2HG2  THR   2          HG22      THR   2  12.508   0.992  -0.766
   18   3HG2  THR   2          HG23      THR   2  11.117   0.102  -0.145
   19    H    THR   3           HN       THR   3  11.915   1.391   2.968
   20    HA   THR   3           HA       THR   3   9.762  -0.443   3.824
   21    HB   THR   3           HB       THR   3  10.504   2.254   4.956
   22    HG1  THR   3           HG1      THR   3  12.348   1.067   5.086
   23   1HG2  THR   3          HG21      THR   3   9.293   1.593   6.848
   24   2HG2  THR   3          HG22      THR   3   9.407  -0.119   6.441
   25   3HG2  THR   3          HG23      THR   3   8.327   0.934   5.527
   26    H    PHE   4           HN       PHE   4   8.286  -0.223   2.075
   27    HA   PHE   4           HA       PHE   4   7.552   2.354   0.938
   28   1HB   PHE   4          HB2       PHE   4   6.346  -0.427   0.897
   29   2HB   PHE   4          HB1       PHE   4   5.718   0.908  -0.065
   30    HD1  PHE   4           HD1      PHE   4   7.123   1.931  -1.849
   31    HD2  PHE   4           HD2      PHE   4   8.384  -1.548   0.331
   32    HE1  PHE   4           HE1      PHE   4   8.830   1.461  -3.586
   33    HE2  PHE   4           HE2      PHE   4  10.092  -2.017  -1.402
   34    HZ   PHE   4           HZ       PHE   4  10.314  -0.512  -3.363
   35    H    LYS   5           HN       LYS   5   4.966   2.745   0.945
   36    HA   LYS   5           HA       LYS   5   3.832   2.357   3.672
   37   1HB   LYS   5          HB2       LYS   5   5.188   4.440   3.659
   38   2HB   LYS   5          HB1       LYS   5   4.230   5.039   2.306
   39   1HG   LYS   5          HG2       LYS   5   2.188   4.580   3.871
   40   2HG   LYS   5          HG1       LYS   5   3.391   4.596   5.161
   41   1HD   LYS   5          HD2       LYS   5   3.545   6.821   3.195
   42   2HD   LYS   5          HD1       LYS   5   2.158   6.837   4.285
   43   1HE   LYS   5          HE2       LYS   5   3.806   6.510   6.207
   44   2HE   LYS   5          HE1       LYS   5   5.096   6.848   5.035
   45   1HZ   LYS   5          HZ1       LYS   5   2.728   8.596   5.417
   46   2HZ   LYS   5          HZ2       LYS   5   4.121   8.931   4.503
   47   3HZ   LYS   5          HZ3       LYS   5   4.210   8.858   6.198
   48    H    LEU   6           HN       LEU   6   1.902   1.393   3.119
   49    HA   LEU   6           HA       LEU   6   0.453   2.189   0.662
   50   1HB   LEU   6          HB2       LEU   6   0.932  -0.169   1.874
   51   2HB   LEU   6          HB1       LEU   6  -0.572   0.239   2.679
   52    HG   LEU   6           HG       LEU   6  -0.078  -0.568  -0.143
   53   1HD1  LEU   6          HD11      LEU   6  -2.658  -1.159   0.430
   54   2HD1  LEU   6          HD12      LEU   6  -2.008  -1.039   2.065
   55   3HD1  LEU   6          HD13      LEU   6  -1.301  -2.176   0.916
   56   1HD2  LEU   6          HD21      LEU   6  -2.367   0.549  -0.742
   57   2HD2  LEU   6          HD22      LEU   6  -0.911   1.542  -0.808
   58   3HD2  LEU   6          HD23      LEU   6  -1.995   1.658   0.579
   59    H    ILE   7           HN       ILE   7  -0.820   4.048   0.939
   60    HA   ILE   7           HA       ILE   7  -1.873   4.918   3.472
   61    HB   ILE   7           HB       ILE   7  -1.465   6.073   1.086
   62   1HG1  ILE   7          HG12      ILE   7  -3.128   7.867   1.836
   63   2HG1  ILE   7          HG11      ILE   7  -3.536   6.780   3.163
   64   1HG2  ILE   7          HG21      ILE   7  -4.463   5.800   0.989
   65   2HG2  ILE   7          HG22      ILE   7  -3.425   4.664   0.131
   66   3HG2  ILE   7          HG23      ILE   7  -3.366   6.381  -0.263
   67   1HD1  ILE   7          HD11      ILE   7  -1.166   6.737   3.857
   68   2HD1  ILE   7          HD12      ILE   7  -1.794   8.385   3.849
   69   3HD1  ILE   7          HD13      ILE   7  -0.761   7.829   2.533
   70    H    ILE   8           HN       ILE   8  -4.388   5.097   3.796
   71    HA   ILE   8           HA       ILE   8  -5.702   2.584   2.820
   72    HB   ILE   8           HB       ILE   8  -5.731   3.760   5.621
   73   1HG1  ILE   8          HG12      ILE   8  -4.463   1.188   4.630
   74   2HG1  ILE   8          HG11      ILE   8  -3.563   2.683   4.888
   75   1HG2  ILE   8          HG21      ILE   8  -7.071   1.913   6.253
   76   2HG2  ILE   8          HG22      ILE   8  -6.740   1.052   4.750
   77   3HG2  ILE   8          HG23      ILE   8  -7.788   2.471   4.741
   78   1HD1  ILE   8          HD11      ILE   8  -3.714   2.542   7.176
   79   2HD1  ILE   8          HD12      ILE   8  -3.834   0.821   6.812
   80   3HD1  ILE   8          HD13      ILE   8  -5.293   1.760   7.128
   81    H    ASN   9           HN       ASN   9  -6.633   4.303   1.274
   82    HA   ASN   9           HA       ASN   9  -8.711   6.025   2.534
   83   1HB   ASN   9          HB2       ASN   9  -7.029   6.055   0.167
   84   2HB   ASN   9          HB1       ASN   9  -8.719   6.239  -0.295
   85   1HD2  ASN   9          HD21      ASN   9  -6.477   8.297  -0.221
   86   2HD2  ASN   9          HD22      ASN   9  -7.079   9.553   0.749
   87    H    GLY  10           HN       GLY  10  -9.221   3.332   2.833
   88   1HA   GLY  10          HA2       GLY  10 -11.238   2.678   0.730
   89   2HA   GLY  10          HA1       GLY  10 -10.484   1.494   1.803
   90    H    LYS  11           HN       LYS  11 -13.277   1.707   1.533
   91    HA   LYS  11           HA       LYS  11 -14.376   3.250   3.765
   92   1HB   LYS  11          HB2       LYS  11 -15.462   1.104   1.915
   93   2HB   LYS  11          HB1       LYS  11 -16.450   1.999   3.071
   94   1HG   LYS  11          HG2       LYS  11 -15.749   4.125   1.982
   95   2HG   LYS  11          HG1       LYS  11 -14.851   3.189   0.786
   96   1HD   LYS  11          HD2       LYS  11 -16.754   2.454  -0.275
   97   2HD   LYS  11          HD1       LYS  11 -17.707   2.453   1.210
   98   1HE   LYS  11          HE2       LYS  11 -18.058   4.808   1.118
   99   2HE   LYS  11          HE1       LYS  11 -16.777   5.027  -0.092
  100   1HZ   LYS  11          HZ1       LYS  11 -19.068   4.965  -1.041
  101   2HZ   LYS  11          HZ2       LYS  11 -19.188   3.350  -0.529
  102   3HZ   LYS  11          HZ3       LYS  11 -18.022   3.794  -1.681
  103    H    THR  12           HN       THR  12 -12.546   0.430   3.700
  104    HA   THR  12           HA       THR  12 -14.041  -0.847   5.947
  105    HB   THR  12           HB       THR  12 -11.668  -1.890   4.381
  106    HG1  THR  12           HG1      THR  12 -14.428  -2.225   3.826
  107   1HG2  THR  12          HG21      THR  12 -12.395  -4.036   5.136
  108   2HG2  THR  12          HG22      THR  12 -13.934  -3.389   5.706
  109   3HG2  THR  12          HG23      THR  12 -12.440  -2.983   6.551
  110    H    LEU  13           HN       LEU  13 -10.978   0.678   5.056
  111    HA   LEU  13           HA       LEU  13 -10.226   0.706   7.957
  112   1HB   LEU  13          HB2       LEU  13  -8.637  -0.216   5.555
  113   2HB   LEU  13          HB1       LEU  13  -7.847   0.263   7.058
  114    HG   LEU  13           HG       LEU  13 -10.064  -1.791   6.975
  115   1HD1  LEU  13          HD11      LEU  13  -8.191  -3.467   7.177
  116   2HD1  LEU  13          HD12      LEU  13  -7.063  -2.172   6.778
  117   3HD1  LEU  13          HD13      LEU  13  -8.278  -2.677   5.603
  118   1HD2  LEU  13          HD21      LEU  13  -9.651  -0.786   9.158
  119   2HD2  LEU  13          HD22      LEU  13  -7.917  -1.057   8.991
  120   3HD2  LEU  13          HD23      LEU  13  -9.011  -2.430   9.160
  121    H    LYS  14           HN       LYS  14  -8.499   2.385   8.371
  122    HA   LYS  14           HA       LYS  14  -8.187   4.494   6.320
  123   1HB   LYS  14          HB2       LYS  14  -9.986   4.589   8.697
  124   2HB   LYS  14          HB1       LYS  14  -9.081   6.056   8.320
  125   1HG   LYS  14          HG2       LYS  14  -9.909   5.686   5.888
  126   2HG   LYS  14          HG1       LYS  14 -11.094   4.599   6.613
  127   1HD   LYS  14          HD2       LYS  14 -11.972   6.376   8.000
  128   2HD   LYS  14          HD1       LYS  14 -10.684   7.470   7.493
  129   1HE   LYS  14          HE2       LYS  14 -12.714   7.993   6.223
  130   2HE   LYS  14          HE1       LYS  14 -11.535   7.253   5.122
  131   1HZ   LYS  14          HZ1       LYS  14 -13.558   5.689   6.625
  132   2HZ   LYS  14          HZ2       LYS  14 -12.562   5.150   5.358
  133   3HZ   LYS  14          HZ3       LYS  14 -13.818   6.250   5.046
  134    H    GLY  15           HN       GLY  15  -6.190   5.439   6.582
  135   1HA   GLY  15          HA2       GLY  15  -4.774   6.501   8.512
  136   2HA   GLY  15          HA1       GLY  15  -4.692   4.833   9.079
  137    H    GLU  16           HN       GLU  16  -2.438   4.624   8.755
  138    HA   GLU  16           HA       GLU  16  -1.631   4.293   5.905
  139   1HB   GLU  16          HB2       GLU  16   0.427   5.612   6.373
  140   2HB   GLU  16          HB1       GLU  16  -1.030   6.582   6.578
  141   1HG   GLU  16          HG2       GLU  16  -0.908   5.915   9.068
  142   2HG   GLU  16          HG1       GLU  16   0.739   5.391   8.717
  143    H    THR  17           HN       THR  17  -0.739   2.285   5.752
  144    HA   THR  17           HA       THR  17   0.534   1.083   8.184
  145    HB   THR  17           HB       THR  17  -0.611  -0.185   5.674
  146    HG1  THR  17           HG1      THR  17  -2.341  -0.695   7.056
  147   1HG2  THR  17          HG21      THR  17  -0.359  -2.276   6.791
  148   2HG2  THR  17          HG22      THR  17   0.026  -1.491   8.323
  149   3HG2  THR  17          HG23      THR  17   1.181  -1.440   6.992
  150    H    THR  18           HN       THR  18   2.585   0.058   7.943
  151    HA   THR  18           HA       THR  18   4.012   0.541   5.349
  152    HB   THR  18           HB       THR  18   5.962   1.218   6.749
  153    HG1  THR  18           HG1      THR  18   5.799   1.255   8.894
  154   1HG2  THR  18          HG21      THR  18   3.896   2.751   6.008
  155   2HG2  THR  18          HG22      THR  18   5.235   3.390   6.961
  156   3HG2  THR  18          HG23      THR  18   3.733   2.921   7.756
  157    H    THR  19           HN       THR  19   5.935  -0.896   5.105
  158    HA   THR  19           HA       THR  19   5.922  -3.328   6.834
  159    HB   THR  19           HB       THR  19   4.386  -3.729   4.954
  160    HG1  THR  19           HG1      THR  19   5.353  -5.582   5.297
  161   1HG2  THR  19          HG21      THR  19   5.025  -3.488   2.674
  162   2HG2  THR  19          HG22      THR  19   6.726  -3.287   3.094
  163   3HG2  THR  19          HG23      THR  19   5.570  -2.008   3.465
  164    H    GLU  20           HN       GLU  20   7.770  -4.854   5.632
  165    HA   GLU  20           HA       GLU  20  10.155  -3.072   5.240
  166   1HB   GLU  20          HB2       GLU  20   9.719  -4.496   7.429
  167   2HB   GLU  20          HB1       GLU  20  10.303  -5.826   6.428
  168   1HG   GLU  20          HG2       GLU  20  12.330  -4.435   5.887
  169   2HG   GLU  20          HG1       GLU  20  11.768  -3.253   7.071
  170    H    ALA  21           HN       ALA  21   9.950  -3.276   2.907
  171    HA   ALA  21           HA       ALA  21  10.464  -6.034   1.842
  172   1HB   ALA  21          HB1       ALA  21   9.491  -3.786   0.132
  173   2HB   ALA  21          HB2       ALA  21   8.364  -4.438   1.323
  174   3HB   ALA  21          HB3       ALA  21   9.054  -5.494   0.090
  175    H    VAL  22           HN       VAL  22  11.548  -5.644  -0.517
  176    HA   VAL  22           HA       VAL  22  13.992  -4.008   0.007
  177    HB   VAL  22           HB       VAL  22  14.261  -6.435  -0.321
  178   1HG1  VAL  22          HG11      VAL  22  12.389  -7.065  -1.633
  179   2HG1  VAL  22          HG12      VAL  22  13.773  -7.291  -2.703
  180   3HG1  VAL  22          HG13      VAL  22  12.751  -5.865  -2.874
  181   1HG2  VAL  22          HG21      VAL  22  15.925  -4.724  -1.262
  182   2HG2  VAL  22          HG22      VAL  22  15.206  -5.052  -2.839
  183   3HG2  VAL  22          HG23      VAL  22  16.003  -6.348  -1.947
  184    H    ASP  23           HN       ASP  23  11.267  -4.382  -2.166
  185    HA   ASP  23           HA       ASP  23  11.808  -1.817  -3.440
  186   1HB   ASP  23          HB2       ASP  23  13.297  -3.808  -4.429
  187   2HB   ASP  23          HB1       ASP  23  11.825  -4.114  -5.351
  188    H    ALA  24           HN       ALA  24  10.156  -1.569  -5.360
  189    HA   ALA  24           HA       ALA  24   7.522  -1.943  -4.420
  190   1HB   ALA  24          HB1       ALA  24   8.856  -1.244  -6.997
  191   2HB   ALA  24          HB2       ALA  24   7.729  -0.294  -6.029
  192   3HB   ALA  24          HB3       ALA  24   7.131  -1.605  -7.045
  193    H    ALA  25           HN       ALA  25   9.591  -4.102  -6.244
  194    HA   ALA  25           HA       ALA  25   7.662  -5.821  -7.440
  195   1HB   ALA  25          HB1       ALA  25  10.483  -6.100  -6.422
  196   2HB   ALA  25          HB2       ALA  25   9.907  -6.084  -8.089
  197   3HB   ALA  25          HB3       ALA  25   9.639  -7.503  -7.077
  198    H    THR  26           HN       THR  26   8.782  -5.576  -4.112
  199    HA   THR  26           HA       THR  26   7.188  -8.006  -3.382
  200    HB   THR  26           HB       THR  26   9.192  -6.515  -1.679
  201    HG1  THR  26           HG1      THR  26  10.728  -7.975  -2.538
  202   1HG2  THR  26          HG21      THR  26   9.177  -8.396  -0.347
  203   2HG2  THR  26          HG22      THR  26   8.804  -9.474  -1.692
  204   3HG2  THR  26          HG23      THR  26   7.532  -8.484  -0.976
  205    H    ALA  27           HN       ALA  27   7.526  -4.546  -2.867
  206    HA   ALA  27           HA       ALA  27   5.943  -4.241  -0.507
  207   1HB   ALA  27          HB1       ALA  27   7.440  -2.625  -1.982
  208   2HB   ALA  27          HB2       ALA  27   6.110  -1.972  -1.024
  209   3HB   ALA  27          HB3       ALA  27   5.899  -2.250  -2.752
  210    H    GLU  28           HN       GLU  28   4.904  -3.569  -3.876
  211    HA   GLU  28           HA       GLU  28   2.112  -3.391  -3.347
  212   1HB   GLU  28          HB2       GLU  28   3.643  -2.878  -5.439
  213   2HB   GLU  28          HB1       GLU  28   3.207  -4.520  -5.911
  214   1HG   GLU  28          HG2       GLU  28   0.763  -3.745  -5.376
  215   2HG   GLU  28          HG1       GLU  28   1.429  -2.122  -5.560
  216    H    LYS  29           HN       LYS  29   4.091  -6.222  -4.274
  217    HA   LYS  29           HA       LYS  29   2.030  -8.133  -4.626
  218   1HB   LYS  29          HB2       LYS  29   4.548  -8.293  -5.018
  219   2HB   LYS  29          HB1       LYS  29   4.705  -8.620  -3.292
  220   1HG   LYS  29          HG2       LYS  29   2.989 -10.488  -3.639
  221   2HG   LYS  29          HG1       LYS  29   3.251 -10.265  -5.369
  222   1HD   LYS  29          HD2       LYS  29   5.820 -10.407  -4.558
  223   2HD   LYS  29          HD1       LYS  29   5.070 -11.403  -3.311
  224   1HE   LYS  29          HE2       LYS  29   4.247 -11.896  -6.147
  225   2HE   LYS  29          HE1       LYS  29   5.838 -12.484  -5.626
  226   1HZ   LYS  29          HZ1       LYS  29   4.724 -13.431  -3.644
  227   2HZ   LYS  29          HZ2       LYS  29   4.221 -14.149  -5.099
  228   3HZ   LYS  29          HZ3       LYS  29   3.224 -13.017  -4.318
  229    H    VAL  30           HN       VAL  30   3.685  -7.119  -1.636
  230    HA   VAL  30           HA       VAL  30   2.119  -8.923   0.067
  231    HB   VAL  30           HB       VAL  30   4.010  -6.600   0.591
  232   1HG1  VAL  30          HG11      VAL  30   4.183  -7.723   2.886
  233   2HG1  VAL  30          HG12      VAL  30   2.708  -8.591   2.462
  234   3HG1  VAL  30          HG13      VAL  30   2.694  -6.830   2.572
  235   1HG2  VAL  30          HG21      VAL  30   4.700  -8.894  -0.545
  236   2HG2  VAL  30          HG22      VAL  30   4.624  -9.486   1.114
  237   3HG2  VAL  30          HG23      VAL  30   5.719  -8.168   0.697
  238    H    PHE  31           HN       PHE  31   2.264  -5.379  -0.455
  239    HA   PHE  31           HA       PHE  31   0.139  -4.691   1.324
  240   1HB   PHE  31          HB2       PHE  31   1.540  -3.464  -1.023
  241   2HB   PHE  31          HB1       PHE  31   0.070  -2.689  -0.438
  242    HD1  PHE  31           HD1      PHE  31   0.142  -3.034   2.444
  243    HD2  PHE  31           HD2      PHE  31   3.379  -2.237  -0.266
  244    HE1  PHE  31           HE1      PHE  31   1.427  -1.988   4.287
  245    HE2  PHE  31           HE2      PHE  31   4.662  -1.196   1.581
  246    HZ   PHE  31           HZ       PHE  31   3.689  -1.071   3.856
  247    H    LYS  32           HN       LYS  32   0.119  -5.741  -2.065
  248    HA   LYS  32           HA       LYS  32  -2.620  -5.103  -2.648
  249   1HB   LYS  32          HB2       LYS  32  -0.574  -7.075  -3.673
  250   2HB   LYS  32          HB1       LYS  32  -2.219  -7.094  -4.306
  251   1HG   LYS  32          HG2       LYS  32  -0.914  -4.429  -4.149
  252   2HG   LYS  32          HG1       LYS  32  -0.268  -5.542  -5.356
  253   1HD   LYS  32          HD2       LYS  32  -2.385  -5.765  -6.431
  254   2HD   LYS  32          HD1       LYS  32  -3.231  -5.006  -5.083
  255   1HE   LYS  32          HE2       LYS  32  -2.428  -2.850  -5.633
  256   2HE   LYS  32          HE1       LYS  32  -1.117  -3.501  -6.637
  257   1HZ   LYS  32          HZ1       LYS  32  -2.797  -4.449  -8.119
  258   2HZ   LYS  32          HZ2       LYS  32  -2.938  -2.758  -8.031
  259   3HZ   LYS  32          HZ3       LYS  32  -4.029  -3.750  -7.187
  260    H    GLN  33           HN       GLN  33  -1.046  -8.033  -1.349
  261    HA   GLN  33           HA       GLN  33  -3.395  -9.649  -1.092
  262   1HB   GLN  33          HB2       GLN  33  -0.946 -10.320  -0.953
  263   2HB   GLN  33          HB1       GLN  33  -0.933  -9.636   0.673
  264   1HG   GLN  33          HG2       GLN  33  -1.378 -11.949   0.992
  265   2HG   GLN  33          HG1       GLN  33  -2.948 -11.162   1.150
  266   1HE2  GLN  33          HE21      GLN  33  -4.558 -11.621  -0.445
  267   2HE2  GLN  33          HE22      GLN  33  -4.318 -12.731  -1.706
  268    H    TYR  34           HN       TYR  34  -1.938  -7.209   0.921
  269    HA   TYR  34           HA       TYR  34  -3.525  -7.607   3.302
  270   1HB   TYR  34          HB2       TYR  34  -1.555  -6.384   3.610
  271   2HB   TYR  34          HB1       TYR  34  -1.735  -5.515   2.091
  272    HD1  TYR  34           HD1      TYR  34  -2.909  -5.741   5.595
  273    HD2  TYR  34           HD2      TYR  34  -2.902  -3.423   1.986
  274    HE1  TYR  34           HE1      TYR  34  -3.875  -3.813   6.832
  275    HE2  TYR  34           HE2      TYR  34  -3.866  -1.495   3.209
  276    HH   TYR  34           HH       TYR  34  -5.424  -1.560   5.798
  277    H    ALA  35           HN       ALA  35  -3.738  -5.137   0.715
  278    HA   ALA  35           HA       ALA  35  -6.241  -4.015   1.494
  279   1HB   ALA  35          HB1       ALA  35  -5.246  -2.686  -0.074
  280   2HB   ALA  35          HB2       ALA  35  -6.101  -3.702  -1.236
  281   3HB   ALA  35          HB3       ALA  35  -4.420  -4.051  -0.830
  282    H    ASN  36           HN       ASN  36  -5.484  -6.680  -0.757
  283    HA   ASN  36           HA       ASN  36  -8.071  -7.153  -1.782
  284   1HB   ASN  36          HB2       ASN  36  -5.540  -8.670  -1.386
  285   2HB   ASN  36          HB1       ASN  36  -6.979  -9.617  -1.767
  286   1HD2  ASN  36          HD21      ASN  36  -8.324  -8.546  -3.695
  287   2HD2  ASN  36          HD22      ASN  36  -7.394  -8.010  -5.010
  288    H    ASP  37           HN       ASP  37  -6.563  -8.275   1.230
  289    HA   ASP  37           HA       ASP  37  -8.697 -10.086   1.989
  290   1HB   ASP  37          HB2       ASP  37  -6.227  -8.897   3.120
  291   2HB   ASP  37          HB1       ASP  37  -7.433  -9.390   4.309
  292    H    ASN  38           HN       ASN  38  -7.913  -6.704   2.821
  293    HA   ASN  38           HA       ASN  38 -10.214  -6.392   4.596
  294   1HB   ASN  38          HB2       ASN  38  -8.223  -4.507   3.299
  295   2HB   ASN  38          HB1       ASN  38  -9.445  -3.974   4.454
  296   1HD2  ASN  38          HD21      ASN  38  -6.249  -4.913   4.297
  297   2HD2  ASN  38          HD22      ASN  38  -6.051  -5.487   5.882
  298    H    GLY  39           HN       GLY  39  -9.531  -5.836   1.188
  299   1HA   GLY  39          HA2       GLY  39 -11.320  -5.773  -0.459
  300   2HA   GLY  39          HA1       GLY  39 -12.395  -5.133   0.783
  301    H    ILE  40           HN       ILE  40  -9.185  -4.160  -0.498
  302    HA   ILE  40           HA       ILE  40 -10.277  -1.378  -0.745
  303    HB   ILE  40           HB       ILE  40  -7.474  -2.412  -0.207
  304   1HG1  ILE  40          HG12      ILE  40  -9.418  -0.864   1.537
  305   2HG1  ILE  40          HG11      ILE  40  -9.106  -2.594   1.672
  306   1HG2  ILE  40          HG21      ILE  40  -7.018  -0.405  -1.303
  307   2HG2  ILE  40          HG22      ILE  40  -7.255   0.183   0.345
  308   3HG2  ILE  40          HG23      ILE  40  -8.561   0.313  -0.832
  309   1HD1  ILE  40          HD11      ILE  40  -7.766  -0.702   3.099
  310   2HD1  ILE  40          HD12      ILE  40  -6.694  -0.875   1.708
  311   3HD1  ILE  40          HD13      ILE  40  -7.091  -2.281   2.696
  312    H    ASP  41           HN       ASP  41 -10.925  -2.732  -2.918
  313    HA   ASP  41           HA       ASP  41  -8.775  -2.789  -4.933
  314   1HB   ASP  41          HB2       ASP  41 -11.640  -3.538  -4.646
  315   2HB   ASP  41          HB1       ASP  41 -11.127  -3.100  -6.276
  316    H    GLY  42           HN       GLY  42  -8.598  -0.315  -4.097
  317   1HA   GLY  42          HA2       GLY  42 -10.476   1.479  -5.490
  318   2HA   GLY  42          HA1       GLY  42  -9.181   1.965  -4.395
  319    H    GLU  43           HN       GLU  43  -8.087   3.391  -5.655
  320    HA   GLU  43           HA       GLU  43  -7.060   2.430  -8.262
  321   1HB   GLU  43          HB2       GLU  43  -6.893   4.895  -8.788
  322   2HB   GLU  43          HB1       GLU  43  -8.540   4.335  -8.515
  323   1HG   GLU  43          HG2       GLU  43  -7.308   5.158  -6.009
  324   2HG   GLU  43          HG1       GLU  43  -7.235   6.456  -7.197
  325    H    TRP  44           HN       TRP  44  -5.081   1.603  -7.740
  326    HA   TRP  44           HA       TRP  44  -3.420   2.645  -5.651
  327   1HB   TRP  44          HB2       TRP  44  -3.081   0.655  -7.882
  328   2HB   TRP  44          HB1       TRP  44  -1.788   0.999  -6.727
  329    HD1  TRP  44           HD1      TRP  44  -5.477  -0.123  -6.767
  330    HE1  TRP  44           HE1      TRP  44  -5.902  -1.550  -4.659
  331    HE3  TRP  44           HE3      TRP  44  -0.934   0.310  -4.478
  332    HZ2  TRP  44           HZ2      TRP  44  -4.499  -2.377  -2.315
  333    HZ3  TRP  44           HZ3      TRP  44  -0.506  -0.807  -2.309
  334    HH2  TRP  44           HH2      TRP  44  -2.281  -2.157  -1.228
  335    H    THR  45           HN       THR  45  -1.616   3.871  -5.738
  336    HA   THR  45           HA       THR  45  -0.491   4.800  -8.304
  337    HB   THR  45           HB       THR  45  -0.710   7.199  -7.192
  338    HG1  THR  45           HG1      THR  45  -2.775   7.291  -6.115
  339   1HG2  THR  45          HG21      THR  45  -2.788   7.549  -8.457
  340   2HG2  THR  45          HG22      THR  45  -3.049   5.806  -8.521
  341   3HG2  THR  45          HG23      THR  45  -1.674   6.522  -9.361
  342    H    TYR  46           HN       TYR  46   1.702   5.003  -8.024
  343    HA   TYR  46           HA       TYR  46   2.752   4.721  -5.245
  344   1HB   TYR  46          HB2       TYR  46   3.368   2.972  -6.775
  345   2HB   TYR  46          HB1       TYR  46   3.775   4.124  -8.040
  346    HD1  TYR  46           HD1      TYR  46   5.914   5.215  -8.103
  347    HD2  TYR  46           HD2      TYR  46   4.863   2.701  -4.782
  348    HE1  TYR  46           HE1      TYR  46   8.274   5.221  -7.349
  349    HE2  TYR  46           HE2      TYR  46   7.215   2.705  -4.029
  350    HH   TYR  46           HH       TYR  46   9.437   3.078  -4.943
  351    H    ASP  47           HN       ASP  47   4.121   6.272  -4.388
  352    HA   ASP  47           HA       ASP  47   4.658   8.705  -6.056
  353   1HB   ASP  47          HB2       ASP  47   3.225   8.472  -3.768
  354   2HB   ASP  47          HB1       ASP  47   4.827   8.751  -3.085
  355    H    ASP  48           HN       ASP  48   6.761   8.681  -6.729
  356    HA   ASP  48           HA       ASP  48   8.863   7.153  -5.472
  357   1HB   ASP  48          HB2       ASP  48  10.255   8.344  -7.149
  358   2HB   ASP  48          HB1       ASP  48   8.764   7.731  -7.863
  359    H    ALA  49           HN       ALA  49   7.613  10.368  -4.927
  360    HA   ALA  49           HA       ALA  49   9.814  11.765  -3.906
  361   1HB   ALA  49          HB1       ALA  49   7.116  11.847  -2.581
  362   2HB   ALA  49          HB2       ALA  49   7.283  12.352  -4.262
  363   3HB   ALA  49          HB3       ALA  49   8.185  13.187  -2.997
  364    H    THR  50           HN       THR  50   7.725   9.405  -2.242
  365    HA   THR  50           HA       THR  50   9.853   9.004  -0.203
  366    HB   THR  50           HB       THR  50   8.175   9.343   1.602
  367    HG1  THR  50           HG1      THR  50   6.154   9.589   1.113
  368   1HG2  THR  50          HG21      THR  50   8.179  11.724   1.536
  369   2HG2  THR  50          HG22      THR  50   8.169  11.746  -0.229
  370   3HG2  THR  50          HG23      THR  50   9.615  11.228   0.638
  371    H    LYS  51           HN       LYS  51   8.267   7.476  -2.442
  372    HA   LYS  51           HA       LYS  51   7.400   5.300  -2.755
  373   1HB   LYS  51          HB2       LYS  51   9.500   5.318  -0.738
  374   2HB   LYS  51          HB1       LYS  51   8.370   3.996  -0.448
  375   1HG   LYS  51          HG2       LYS  51   9.747   2.947  -1.963
  376   2HG   LYS  51          HG1       LYS  51   8.633   3.711  -3.098
  377   1HD   LYS  51          HD2       LYS  51  10.924   4.169  -3.804
  378   2HD   LYS  51          HD1       LYS  51  10.191   5.667  -3.231
  379   1HE   LYS  51          HE2       LYS  51  11.600   5.809  -1.427
  380   2HE   LYS  51          HE1       LYS  51  11.591   4.054  -1.162
  381   1HZ   LYS  51          HZ1       LYS  51  12.878   3.856  -3.270
  382   2HZ   LYS  51          HZ2       LYS  51  13.724   4.629  -2.016
  383   3HZ   LYS  51          HZ3       LYS  51  13.048   5.544  -3.278
  384    H    THR  52           HN       THR  52   5.144   5.730  -2.422
  385    HA   THR  52           HA       THR  52   4.075   4.641   0.126
  386    HB   THR  52           HB       THR  52   3.387   7.390  -0.957
  387    HG1  THR  52           HG1      THR  52   4.848   6.673   1.362
  388   1HG2  THR  52          HG21      THR  52   2.190   7.633   1.187
  389   2HG2  THR  52          HG22      THR  52   2.618   5.976   1.612
  390   3HG2  THR  52          HG23      THR  52   1.545   6.288   0.247
  391    H    PHE  53           HN       PHE  53   2.920   2.983  -0.903
  392    HA   PHE  53           HA       PHE  53   1.508   3.212  -3.399
  393   1HB   PHE  53          HB2       PHE  53   1.278   1.404  -0.975
  394   2HB   PHE  53          HB1       PHE  53   0.328   1.147  -2.438
  395    HD1  PHE  53           HD1      PHE  53   1.435   0.606  -4.577
  396    HD2  PHE  53           HD2      PHE  53   3.640   0.959  -0.916
  397    HE1  PHE  53           HE1      PHE  53   3.365  -0.547  -5.632
  398    HE2  PHE  53           HE2      PHE  53   5.571  -0.195  -1.961
  399    HZ   PHE  53           HZ       PHE  53   5.434  -0.947  -4.322
  400    H    THR  54           HN       THR  54  -0.343   4.402  -3.769
  401    HA   THR  54           HA       THR  54  -2.044   5.060  -1.380
  402    HB   THR  54           HB       THR  54  -1.588   6.566  -3.968
  403    HG1  THR  54           HG1      THR  54  -0.051   7.575  -2.932
  404   1HG2  THR  54          HG21      THR  54  -3.778   6.810  -2.447
  405   2HG2  THR  54          HG22      THR  54  -3.006   8.207  -3.195
  406   3HG2  THR  54          HG23      THR  54  -2.691   7.828  -1.502
  407    H    VAL  55           HN       VAL  55  -3.751   3.568  -1.481
  408    HA   VAL  55           HA       VAL  55  -5.198   3.301  -4.048
  409    HB   VAL  55           HB       VAL  55  -4.380   1.209  -2.922
  410   1HG1  VAL  55          HG11      VAL  55  -5.307   0.471  -0.849
  411   2HG1  VAL  55          HG12      VAL  55  -6.447   1.826  -0.824
  412   3HG1  VAL  55          HG13      VAL  55  -4.724   2.118  -0.580
  413   1HG2  VAL  55          HG21      VAL  55  -6.466   1.327  -4.362
  414   2HG2  VAL  55          HG22      VAL  55  -7.389   1.374  -2.860
  415   3HG2  VAL  55          HG23      VAL  55  -6.392  -0.031  -3.239
  416    H    THR  56           HN       THR  56  -7.661   3.170  -3.720
  417    HA   THR  56           HA       THR  56  -8.761   4.572  -1.385
  418    HB   THR  56           HB       THR  56  -8.659   5.768  -4.169
  419    HG1  THR  56           HG1      THR  56  -7.302   7.232  -3.261
  420   1HG2  THR  56          HG21      THR  56 -10.687   6.589  -3.429
  421   2HG2  THR  56          HG22      THR  56  -9.614   7.768  -2.674
  422   3HG2  THR  56          HG23      THR  56 -10.252   6.423  -1.728
  423    H    GLU  57           HN       GLU  57 -10.449   3.126  -1.084
  424    HA   GLU  57           HA       GLU  57 -11.911   1.996  -3.389
  425   1HB   GLU  57          HB2       GLU  57 -11.155   1.025  -0.990
  426   2HB   GLU  57          HB1       GLU  57 -12.765   1.604  -0.560
  427   1HG   GLU  57          HG2       GLU  57 -12.199  -0.188  -2.937
  428   2HG   GLU  57          HG1       GLU  57 -12.728  -0.782  -1.362
  Start of MODEL   31
    1   1H    MET   1          HT1       MET   1 -17.257   2.440   3.513
    2   2H    MET   1          HT2       MET   1 -16.292   1.104   3.925
    3   3H    MET   1          HT3       MET   1 -17.382   1.000   2.625
    4    HA   MET   1           HA       MET   1 -16.106   2.626   1.372
    5   1HB   MET   1          HB2       MET   1 -15.021   2.919   4.091
    6   2HB   MET   1          HB1       MET   1 -13.771   2.892   2.848
    7   1HG   MET   1          HG2       MET   1 -14.327   5.161   2.916
    8   2HG   MET   1          HG1       MET   1 -15.348   4.577   1.602
    9   1HE   MET   1          HE1       MET   1 -17.043   7.355   3.064
   10   2HE   MET   1          HE2       MET   1 -18.066   6.288   2.105
   11   3HE   MET   1          HE3       MET   1 -16.370   6.491   1.675
   12    H    THR   2           HN       THR   2 -13.560   2.140   0.774
   13    HA   THR   2           HA       THR   2 -13.419  -0.829   0.491
   14    HB   THR   2           HB       THR   2 -12.025   1.436  -0.974
   15    HG1  THR   2           HG1      THR   2 -13.717   1.474  -2.214
   16   1HG2  THR   2          HG21      THR   2 -10.753  -0.604  -1.173
   17   2HG2  THR   2          HG22      THR   2 -11.640  -0.378  -2.682
   18   3HG2  THR   2          HG23      THR   2 -12.214  -1.541  -1.486
   19    H    THR   3           HN       THR   3 -12.126  -1.728   2.057
   20    HA   THR   3           HA       THR   3  -9.898  -0.228   3.212
   21    HB   THR   3           HB       THR   3 -11.429  -1.502   4.638
   22    HG1  THR   3           HG1      THR   3  -8.899  -2.765   4.467
   23   1HG2  THR   3          HG21      THR   3 -12.211  -3.518   4.028
   24   2HG2  THR   3          HG22      THR   3 -10.576  -4.177   4.021
   25   3HG2  THR   3          HG23      THR   3 -11.233  -3.433   2.563
   26    H    PHE   4           HN       PHE   4  -8.220  -0.166   1.687
   27    HA   PHE   4           HA       PHE   4  -7.439  -2.536   0.146
   28   1HB   PHE   4          HB2       PHE   4  -6.298   0.239   0.569
   29   2HB   PHE   4          HB1       PHE   4  -5.588  -0.931  -0.540
   30    HD1  PHE   4           HD1      PHE   4  -8.276   1.447   0.019
   31    HD2  PHE   4           HD2      PHE   4  -6.944  -1.781  -2.482
   32    HE1  PHE   4           HE1      PHE   4  -9.916   2.115  -1.717
   33    HE2  PHE   4           HE2      PHE   4  -8.587  -1.112  -4.217
   34    HZ   PHE   4           HZ       PHE   4 -10.070   0.835  -3.835
   35    H    LYS   5           HN       LYS   5  -4.925  -3.036   0.235
   36    HA   LYS   5           HA       LYS   5  -3.911  -3.006   3.047
   37   1HB   LYS   5          HB2       LYS   5  -4.888  -5.269   1.420
   38   2HB   LYS   5          HB1       LYS   5  -3.317  -5.548   2.172
   39   1HG   LYS   5          HG2       LYS   5  -4.287  -4.852   4.365
   40   2HG   LYS   5          HG1       LYS   5  -5.864  -4.709   3.588
   41   1HD   LYS   5          HD2       LYS   5  -5.524  -7.143   2.829
   42   2HD   LYS   5          HD1       LYS   5  -4.209  -7.202   4.004
   43   1HE   LYS   5          HE2       LYS   5  -6.183  -6.099   5.535
   44   2HE   LYS   5          HE1       LYS   5  -7.134  -7.150   4.466
   45   1HZ   LYS   5          HZ1       LYS   5  -5.446  -8.912   4.916
   46   2HZ   LYS   5          HZ2       LYS   5  -6.383  -8.485   6.267
   47   3HZ   LYS   5          HZ3       LYS   5  -4.790  -7.914   6.120
   48    H    LEU   6           HN       LEU   6  -1.970  -1.941   2.750
   49    HA   LEU   6           HA       LEU   6  -0.380  -2.389   0.289
   50   1HB   LEU   6          HB2       LEU   6  -0.963  -0.184   1.676
   51   2HB   LEU   6          HB1       LEU   6   0.447  -0.669   2.600
   52    HG   LEU   6           HG       LEU   6   0.270   0.503  -0.112
   53   1HD1  LEU   6          HD11      LEU   6   2.794   0.897   0.685
   54   2HD1  LEU   6          HD12      LEU   6   2.096   0.475   2.248
   55   3HD1  LEU   6          HD13      LEU   6   1.452   1.839   1.334
   56   1HD2  LEU   6          HD21      LEU   6   2.142  -1.832   0.415
   57   2HD2  LEU   6          HD22      LEU   6   2.450  -0.619  -0.829
   58   3HD2  LEU   6          HD23      LEU   6   1.015  -1.640  -0.928
   59    H    ILE   7           HN       ILE   7   0.941  -4.215   0.384
   60    HA   ILE   7           HA       ILE   7   1.874  -5.409   2.831
   61    HB   ILE   7           HB       ILE   7   1.632  -6.235   0.300
   62   1HG1  ILE   7          HG12      ILE   7   3.275  -8.079   0.854
   63   2HG1  ILE   7          HG11      ILE   7   3.710  -7.159   2.294
   64   1HG2  ILE   7          HG21      ILE   7   3.479  -6.120  -1.064
   65   2HG2  ILE   7          HG22      ILE   7   4.606  -6.014   0.287
   66   3HG2  ILE   7          HG23      ILE   7   3.683  -4.595  -0.203
   67   1HD1  ILE   7          HD11      ILE   7   1.543  -7.370   3.224
   68   2HD1  ILE   7          HD12      ILE   7   1.887  -8.967   2.557
   69   3HD1  ILE   7          HD13      ILE   7   0.838  -7.852   1.681
   70    H    ILE   8           HN       ILE   8   4.372  -5.565   3.286
   71    HA   ILE   8           HA       ILE   8   5.662  -2.917   2.725
   72    HB   ILE   8           HB       ILE   8   5.546  -4.425   5.356
   73   1HG1  ILE   8          HG12      ILE   8   4.266  -1.780   4.605
   74   2HG1  ILE   8          HG11      ILE   8   3.397  -3.315   4.619
   75   1HG2  ILE   8          HG21      ILE   8   6.752  -2.598   6.301
   76   2HG2  ILE   8          HG22      ILE   8   6.556  -1.623   4.844
   77   3HG2  ILE   8          HG23      ILE   8   7.622  -3.027   4.828
   78   1HD1  ILE   8          HD11      ILE   8   4.503  -1.745   6.920
   79   2HD1  ILE   8          HD12      ILE   8   4.401  -3.499   7.060
   80   3HD1  ILE   8          HD13      ILE   8   2.943  -2.552   6.766
   81    H    ASN   9           HN       ASN   9   6.756  -4.397   1.053
   82    HA   ASN   9           HA       ASN   9   8.792  -6.223   2.232
   83   1HB   ASN   9          HB2       ASN   9   7.309  -5.942  -0.260
   84   2HB   ASN   9          HB1       ASN   9   9.036  -6.085  -0.578
   85   1HD2  ASN   9          HD21      ASN   9   6.610  -8.059  -0.777
   86   2HD2  ASN   9          HD22      ASN   9   7.191  -9.455  -0.007
   87    H    GLY  10           HN       GLY  10   9.223  -3.623   2.963
   88   1HA   GLY  10          HA2       GLY  10  11.343  -2.611   1.117
   89   2HA   GLY  10          HA1       GLY  10  10.463  -1.608   2.276
   90    H    LYS  11           HN       LYS  11  13.289  -1.725   2.178
   91    HA   LYS  11           HA       LYS  11  14.256  -3.493   4.307
   92   1HB   LYS  11          HB2       LYS  11  15.543  -2.681   2.286
   93   2HB   LYS  11          HB1       LYS  11  15.552  -1.075   3.016
   94   1HG   LYS  11          HG2       LYS  11  16.924  -1.748   4.794
   95   2HG   LYS  11          HG1       LYS  11  16.514  -3.451   4.590
   96   1HD   LYS  11          HD2       LYS  11  17.792  -3.570   2.529
   97   2HD   LYS  11          HD1       LYS  11  18.094  -1.832   2.572
   98   1HE   LYS  11          HE2       LYS  11  18.910  -3.405   4.980
   99   2HE   LYS  11          HE1       LYS  11  19.901  -3.572   3.517
  100   1HZ   LYS  11          HZ1       LYS  11  20.111  -1.212   3.362
  101   2HZ   LYS  11          HZ2       LYS  11  20.551  -1.660   4.940
  102   3HZ   LYS  11          HZ3       LYS  11  19.029  -0.966   4.644
  103    H    THR  12           HN       THR  12  12.373  -0.712   4.393
  104    HA   THR  12           HA       THR  12  13.680   0.389   6.836
  105    HB   THR  12           HB       THR  12  11.305   1.462   5.297
  106    HG1  THR  12           HG1      THR  12  12.909   2.670   4.145
  107   1HG2  THR  12          HG21      THR  12  13.421   3.140   6.563
  108   2HG2  THR  12          HG22      THR  12  12.299   2.301   7.634
  109   3HG2  THR  12          HG23      THR  12  11.687   3.432   6.426
  110    H    LEU  13           HN       LEU  13  10.726  -1.177   5.661
  111    HA   LEU  13           HA       LEU  13   9.925  -1.650   8.500
  112   1HB   LEU  13          HB2       LEU  13   8.885   0.413   7.074
  113   2HB   LEU  13          HB1       LEU  13   7.772  -0.870   6.608
  114    HG   LEU  13           HG       LEU  13   7.760  -1.377   9.203
  115   1HD1  LEU  13          HD11      LEU  13   9.556   0.466   9.480
  116   2HD1  LEU  13          HD12      LEU  13   8.197   0.479  10.604
  117   3HD1  LEU  13          HD13      LEU  13   8.230   1.605   9.247
  118   1HD2  LEU  13          HD21      LEU  13   5.898  -0.502   7.640
  119   2HD2  LEU  13          HD22      LEU  13   6.310   1.099   8.254
  120   3HD2  LEU  13          HD23      LEU  13   5.735  -0.148   9.360
  121    H    LYS  14           HN       LYS  14   8.033  -3.269   8.537
  122    HA   LYS  14           HA       LYS  14   7.812  -5.014   6.155
  123   1HB   LYS  14          HB2       LYS  14   9.912  -5.496   7.647
  124   2HB   LYS  14          HB1       LYS  14   8.742  -6.202   8.762
  125   1HG   LYS  14          HG2       LYS  14   8.193  -7.925   7.317
  126   2HG   LYS  14          HG1       LYS  14   8.591  -6.985   5.879
  127   1HD   LYS  14          HD2       LYS  14  10.463  -8.299   5.875
  128   2HD   LYS  14          HD1       LYS  14  11.038  -7.109   7.044
  129   1HE   LYS  14          HE2       LYS  14  10.094  -8.563   8.883
  130   2HE   LYS  14          HE1       LYS  14   9.764  -9.798   7.652
  131   1HZ   LYS  14          HZ1       LYS  14  12.408  -8.543   8.177
  132   2HZ   LYS  14          HZ2       LYS  14  12.085  -9.711   6.986
  133   3HZ   LYS  14          HZ3       LYS  14  11.960 -10.114   8.632
  134    H    GLY  15           HN       GLY  15   5.881  -6.204   6.196
  135   1HA   GLY  15          HA2       GLY  15   4.226  -7.372   7.764
  136   2HA   GLY  15          HA1       GLY  15   4.165  -5.829   8.617
  137    H    GLU  16           HN       GLU  16   1.798  -6.010   8.077
  138    HA   GLU  16           HA       GLU  16   1.243  -5.069   5.279
  139   1HB   GLU  16          HB2       GLU  16   0.395  -7.335   5.902
  140   2HB   GLU  16          HB1       GLU  16  -0.526  -6.599   7.215
  141   1HG   GLU  16          HG2       GLU  16  -2.071  -5.668   5.795
  142   2HG   GLU  16          HG1       GLU  16  -0.893  -5.422   4.506
  143    H    THR  17           HN       THR  17  -0.127  -3.262   5.068
  144    HA   THR  17           HA       THR  17  -0.909  -1.885   7.621
  145    HB   THR  17           HB       THR  17  -0.191  -0.585   4.983
  146    HG1  THR  17           HG1      THR  17   1.884  -0.405   5.775
  147   1HG2  THR  17          HG21      THR  17   0.267   0.643   7.659
  148   2HG2  THR  17          HG22      THR  17  -1.402   0.506   7.107
  149   3HG2  THR  17          HG23      THR  17  -0.226   1.399   6.144
  150    H    THR  18           HN       THR  18  -2.975  -0.913   7.641
  151    HA   THR  18           HA       THR  18  -4.687  -1.338   5.214
  152    HB   THR  18           HB       THR  18  -6.488  -1.931   6.882
  153    HG1  THR  18           HG1      THR  18  -4.289  -2.048   8.665
  154   1HG2  THR  18          HG21      THR  18  -3.980  -3.631   6.979
  155   2HG2  THR  18          HG22      THR  18  -5.193  -3.672   5.699
  156   3HG2  THR  18          HG23      THR  18  -5.616  -4.187   7.332
  157    H    THR  19           HN       THR  19  -6.690   0.078   5.312
  158    HA   THR  19           HA       THR  19  -6.712   2.395   7.088
  159    HB   THR  19           HB       THR  19  -4.814   2.938   5.619
  160    HG1  THR  19           HG1      THR  19  -5.747   4.797   5.972
  161   1HG2  THR  19          HG21      THR  19  -5.728   1.477   3.713
  162   2HG2  THR  19          HG22      THR  19  -4.973   3.001   3.248
  163   3HG2  THR  19          HG23      THR  19  -6.731   2.863   3.284
  164    H    GLU  20           HN       GLU  20  -8.315   4.117   5.976
  165    HA   GLU  20           HA       GLU  20 -10.617   2.538   4.876
  166   1HB   GLU  20          HB2       GLU  20 -10.810   3.564   7.156
  167   2HB   GLU  20          HB1       GLU  20 -10.566   5.150   6.423
  168   1HG   GLU  20          HG2       GLU  20 -12.582   4.925   5.105
  169   2HG   GLU  20          HG1       GLU  20 -12.785   3.250   5.620
  170    H    ALA  21           HN       ALA  21 -10.369   2.844   2.645
  171    HA   ALA  21           HA       ALA  21 -10.386   5.688   1.683
  172   1HB   ALA  21          HB1       ALA  21  -8.658   3.363   1.083
  173   2HB   ALA  21          HB2       ALA  21  -8.314   5.086   0.927
  174   3HB   ALA  21          HB3       ALA  21  -9.217   4.249  -0.336
  175    H    VAL  22           HN       VAL  22 -11.786   6.093  -0.076
  176    HA   VAL  22           HA       VAL  22 -14.048   4.320  -0.406
  177    HB   VAL  22           HB       VAL  22 -14.165   6.775  -0.556
  178   1HG1  VAL  22          HG11      VAL  22 -12.096   7.421  -1.509
  179   2HG1  VAL  22          HG12      VAL  22 -13.284   7.789  -2.758
  180   3HG1  VAL  22          HG13      VAL  22 -12.296   6.336  -2.884
  181   1HG2  VAL  22          HG21      VAL  22 -15.533   6.939  -2.573
  182   2HG2  VAL  22          HG22      VAL  22 -15.813   5.376  -1.806
  183   3HG2  VAL  22          HG23      VAL  22 -14.782   5.486  -3.232
  184    H    ASP  23           HN       ASP  23 -11.017   4.746  -2.131
  185    HA   ASP  23           HA       ASP  23 -11.401   2.294  -3.630
  186   1HB   ASP  23          HB2       ASP  23 -11.456   3.420  -5.877
  187   2HB   ASP  23          HB1       ASP  23 -12.901   3.709  -4.912
  188    H    ALA  24           HN       ALA  24  -9.574   2.215  -5.433
  189    HA   ALA  24           HA       ALA  24  -7.053   2.395  -4.203
  190   1HB   ALA  24          HB1       ALA  24  -6.233   2.112  -6.573
  191   2HB   ALA  24          HB2       ALA  24  -7.891   2.381  -7.113
  192   3HB   ALA  24          HB3       ALA  24  -7.505   0.980  -6.113
  193    H    ALA  25           HN       ALA  25  -8.850   4.857  -5.943
  194    HA   ALA  25           HA       ALA  25  -6.751   6.635  -6.676
  195   1HB   ALA  25          HB1       ALA  25  -9.356   7.677  -5.634
  196   2HB   ALA  25          HB2       ALA  25  -9.402   6.568  -7.005
  197   3HB   ALA  25          HB3       ALA  25  -8.506   8.083  -7.125
  198    H    THR  26           HN       THR  26  -8.509   6.281  -3.601
  199    HA   THR  26           HA       THR  26  -6.889   8.436  -2.351
  200    HB   THR  26           HB       THR  26  -9.064   6.667  -1.191
  201    HG1  THR  26           HG1      THR  26 -10.384   8.532  -1.746
  202   1HG2  THR  26          HG21      THR  26  -7.931   9.373  -0.438
  203   2HG2  THR  26          HG22      THR  26  -7.828   7.882   0.498
  204   3HG2  THR  26          HG23      THR  26  -9.385   8.681   0.281
  205    H    ALA  27           HN       ALA  27  -7.256   4.931  -2.353
  206    HA   ALA  27           HA       ALA  27  -5.829   4.286   0.034
  207   1HB   ALA  27          HB1       ALA  27  -7.171   2.940  -1.899
  208   2HB   ALA  27          HB2       ALA  27  -6.086   2.142  -0.759
  209   3HB   ALA  27          HB3       ALA  27  -5.514   2.565  -2.373
  210    H    GLU  28           HN       GLU  28  -4.611   4.338  -3.341
  211    HA   GLU  28           HA       GLU  28  -1.848   3.962  -2.690
  212   1HB   GLU  28          HB2       GLU  28  -3.142   3.800  -4.927
  213   2HB   GLU  28          HB1       GLU  28  -2.910   5.546  -5.037
  214   1HG   GLU  28          HG2       GLU  28  -0.410   5.040  -4.589
  215   2HG   GLU  28          HG1       GLU  28  -0.817   3.375  -5.008
  216    H    LYS  29           HN       LYS  29  -3.811   6.918  -3.014
  217    HA   LYS  29           HA       LYS  29  -1.726   8.851  -2.929
  218   1HB   LYS  29          HB2       LYS  29  -4.147   9.234  -3.417
  219   2HB   LYS  29          HB1       LYS  29  -4.506   8.969  -1.710
  220   1HG   LYS  29          HG2       LYS  29  -2.821  10.836  -1.219
  221   2HG   LYS  29          HG1       LYS  29  -2.890  11.206  -2.943
  222   1HD   LYS  29          HD2       LYS  29  -5.145  11.837  -2.852
  223   2HD   LYS  29          HD1       LYS  29  -5.432  10.950  -1.354
  224   1HE   LYS  29          HE2       LYS  29  -4.660  12.668  -0.040
  225   2HE   LYS  29          HE1       LYS  29  -3.397  13.118  -1.203
  226   1HZ   LYS  29          HZ1       LYS  29  -5.050  14.054  -2.649
  227   2HZ   LYS  29          HZ2       LYS  29  -5.230  14.750  -1.109
  228   3HZ   LYS  29          HZ3       LYS  29  -6.307  13.544  -1.631
  229    H    VAL  30           HN       VAL  30  -3.466   7.237  -0.263
  230    HA   VAL  30           HA       VAL  30  -1.946   8.655   1.809
  231    HB   VAL  30           HB       VAL  30  -3.841   6.278   1.837
  232   1HG1  VAL  30          HG11      VAL  30  -2.598   7.919   4.054
  233   2HG1  VAL  30          HG12      VAL  30  -2.603   6.164   3.869
  234   3HG1  VAL  30          HG13      VAL  30  -4.093   7.011   4.287
  235   1HG2  VAL  30          HG21      VAL  30  -4.187   9.260   2.160
  236   2HG2  VAL  30          HG22      VAL  30  -5.360   8.125   2.829
  237   3HG2  VAL  30          HG23      VAL  30  -5.062   8.163   1.091
  238    H    PHE  31           HN       PHE  31  -2.043   5.343   0.471
  239    HA   PHE  31           HA       PHE  31   0.009   4.251   2.162
  240   1HB   PHE  31          HB2       PHE  31  -1.273   3.565  -0.473
  241   2HB   PHE  31          HB1       PHE  31   0.103   2.621   0.096
  242    HD1  PHE  31           HD1      PHE  31  -0.215   2.413   2.948
  243    HD2  PHE  31           HD2      PHE  31  -3.246   2.378  -0.096
  244    HE1  PHE  31           HE1      PHE  31  -1.715   1.141   4.456
  245    HE2  PHE  31           HE2      PHE  31  -4.745   1.109   1.415
  246    HZ   PHE  31           HZ       PHE  31  -3.982   0.490   3.690
  247    H    LYS  32           HN       LYS  32   0.113   5.906  -0.985
  248    HA   LYS  32           HA       LYS  32   2.873   5.408  -1.589
  249   1HB   LYS  32          HB2       LYS  32   1.159   6.277  -3.168
  250   2HB   LYS  32          HB1       LYS  32   1.089   7.783  -2.253
  251   1HG   LYS  32          HG2       LYS  32   2.654   8.451  -3.786
  252   2HG   LYS  32          HG1       LYS  32   3.760   7.630  -2.684
  253   1HD   LYS  32          HD2       LYS  32   3.547   5.558  -4.009
  254   2HD   LYS  32          HD1       LYS  32   2.444   6.379  -5.114
  255   1HE   LYS  32          HE2       LYS  32   4.436   6.701  -6.267
  256   2HE   LYS  32          HE1       LYS  32   4.494   8.127  -5.212
  257   1HZ   LYS  32          HZ1       LYS  32   5.723   5.472  -4.701
  258   2HZ   LYS  32          HZ2       LYS  32   5.617   6.704  -3.536
  259   3HZ   LYS  32          HZ3       LYS  32   6.535   6.941  -4.946
  260    H    GLN  33           HN       GLN  33   1.246   8.086   0.128
  261    HA   GLN  33           HA       GLN  33   3.597   9.607   0.738
  262   1HB   GLN  33          HB2       GLN  33   1.158  10.298   0.870
  263   2HB   GLN  33          HB1       GLN  33   1.048   9.354   2.356
  264   1HG   GLN  33          HG2       GLN  33   1.498  11.581   3.068
  265   2HG   GLN  33          HG1       GLN  33   3.041  10.735   3.196
  266   1HE2  GLN  33          HE21      GLN  33   4.773  11.757   2.179
  267   2HE2  GLN  33          HE22      GLN  33   4.631  12.911   0.942
  268    H    TYR  34           HN       TYR  34   2.072   6.852   2.220
  269    HA   TYR  34           HA       TYR  34   3.543   6.860   4.716
  270   1HB   TYR  34          HB2       TYR  34   1.559   5.626   4.756
  271   2HB   TYR  34          HB1       TYR  34   1.779   5.021   3.120
  272    HD1  TYR  34           HD1      TYR  34   2.866   4.648   6.643
  273    HD2  TYR  34           HD2      TYR  34   2.902   2.949   2.705
  274    HE1  TYR  34           HE1      TYR  34   3.774   2.527   7.568
  275    HE2  TYR  34           HE2      TYR  34   3.808   0.831   3.616
  276    HH   TYR  34           HH       TYR  34   3.871   0.156   6.967
  277    H    ALA  35           HN       ALA  35   3.892   4.992   1.679
  278    HA   ALA  35           HA       ALA  35   6.377   3.719   2.429
  279   1HB   ALA  35          HB1       ALA  35   6.319   3.639  -0.287
  280   2HB   ALA  35          HB2       ALA  35   4.635   4.049   0.041
  281   3HB   ALA  35          HB3       ALA  35   5.335   2.578   0.723
  282    H    ASN  36           HN       ASN  36   5.592   6.615   0.498
  283    HA   ASN  36           HA       ASN  36   8.186   7.263  -0.418
  284   1HB   ASN  36          HB2       ASN  36   5.984   8.269  -1.094
  285   2HB   ASN  36          HB1       ASN  36   5.969   9.148   0.435
  286   1HD2  ASN  36          HD21      ASN  36   6.049  10.481  -2.134
  287   2HD2  ASN  36          HD22      ASN  36   7.537  11.291  -2.251
  288    H    ASP  37           HN       ASP  37   6.527   8.226   2.593
  289    HA   ASP  37           HA       ASP  37   8.626   9.887   3.634
  290   1HB   ASP  37          HB2       ASP  37   6.172   9.686   4.326
  291   2HB   ASP  37          HB1       ASP  37   6.634   8.228   5.203
  292    H    ASN  38           HN       ASN  38   7.833   6.443   4.206
  293    HA   ASN  38           HA       ASN  38  10.064   5.958   5.990
  294   1HB   ASN  38          HB2       ASN  38   8.068   4.339   4.427
  295   2HB   ASN  38          HB1       ASN  38   9.417   3.519   5.214
  296   1HD2  ASN  38          HD21      ASN  38   6.543   5.532   5.841
  297   2HD2  ASN  38          HD22      ASN  38   6.448   5.171   7.497
  298    H    GLY  39           HN       GLY  39   9.497   5.133   2.547
  299   1HA   GLY  39          HA2       GLY  39  11.466   5.640   1.024
  300   2HA   GLY  39          HA1       GLY  39  12.459   4.835   2.239
  301    H    ILE  40           HN       ILE  40   9.403   4.075   0.512
  302    HA   ILE  40           HA       ILE  40  10.518   1.334   0.019
  303    HB   ILE  40           HB       ILE  40   7.669   2.325   0.378
  304   1HG1  ILE  40          HG12      ILE  40   9.415   0.533   2.097
  305   2HG1  ILE  40          HG11      ILE  40   9.073   2.228   2.436
  306   1HG2  ILE  40          HG21      ILE  40   8.818  -0.259  -0.574
  307   2HG2  ILE  40          HG22      ILE  40   7.269   0.490  -0.971
  308   3HG2  ILE  40          HG23      ILE  40   7.475  -0.360   0.562
  309   1HD1  ILE  40          HD11      ILE  40   6.741   1.785   2.769
  310   2HD1  ILE  40          HD12      ILE  40   7.615   0.550   3.675
  311   3HD1  ILE  40          HD13      ILE  40   6.893   0.154   2.116
  312    H    ASP  41           HN       ASP  41  11.404   2.962  -1.863
  313    HA   ASP  41           HA       ASP  41   9.517   3.402  -4.066
  314   1HB   ASP  41          HB2       ASP  41  12.368   3.876  -3.387
  315   2HB   ASP  41          HB1       ASP  41  12.037   3.651  -5.105
  316    H    GLY  42           HN       GLY  42   9.024   0.885  -3.660
  317   1HA   GLY  42          HA2       GLY  42  10.911  -0.845  -5.154
  318   2HA   GLY  42          HA1       GLY  42   9.547  -1.394  -4.177
  319    H    GLU  43           HN       GLU  43   8.503  -2.602  -5.715
  320    HA   GLU  43           HA       GLU  43   7.566  -1.178  -8.137
  321   1HB   GLU  43          HB2       GLU  43   7.471  -3.404  -9.187
  322   2HB   GLU  43          HB1       GLU  43   9.078  -3.115  -8.526
  323   1HG   GLU  43          HG2       GLU  43   7.754  -4.272  -6.388
  324   2HG   GLU  43          HG1       GLU  43   7.072  -5.128  -7.767
  325    H    TRP  44           HN       TRP  44   5.514  -0.496  -7.759
  326    HA   TRP  44           HA       TRP  44   3.819  -1.781  -5.807
  327   1HB   TRP  44          HB2       TRP  44   3.577   0.535  -7.709
  328   2HB   TRP  44          HB1       TRP  44   2.226   0.027  -6.689
  329    HD1  TRP  44           HD1      TRP  44   5.907   1.130  -6.376
  330    HE1  TRP  44           HE1      TRP  44   6.229   2.203  -4.052
  331    HE3  TRP  44           HE3      TRP  44   1.274   0.328  -4.384
  332    HZ2  TRP  44           HZ2      TRP  44   4.720   2.647  -1.667
  333    HZ3  TRP  44           HZ3      TRP  44   0.745   1.085  -2.084
  334    HH2  TRP  44           HH2      TRP  44   2.461   2.249  -0.726
  335    H    THR  45           HN       THR  45   2.008  -2.963  -6.127
  336    HA   THR  45           HA       THR  45   0.945  -3.478  -8.832
  337    HB   THR  45           HB       THR  45   1.153  -6.021  -8.139
  338    HG1  THR  45           HG1      THR  45   2.691  -6.450  -6.719
  339   1HG2  THR  45          HG21      THR  45   3.183  -6.185  -9.429
  340   2HG2  THR  45          HG22      THR  45   3.620  -4.520  -9.045
  341   3HG2  THR  45          HG23      THR  45   2.237  -4.851 -10.089
  342    H    TYR  46           HN       TYR  46  -1.251  -3.734  -8.640
  343    HA   TYR  46           HA       TYR  46  -2.365  -3.911  -5.879
  344   1HB   TYR  46          HB2       TYR  46  -2.986  -1.941  -7.088
  345   2HB   TYR  46          HB1       TYR  46  -3.293  -2.848  -8.563
  346    HD1  TYR  46           HD1      TYR  46  -4.601  -2.036  -5.184
  347    HD2  TYR  46           HD2      TYR  46  -5.385  -3.979  -8.933
  348    HE1  TYR  46           HE1      TYR  46  -6.986  -2.221  -4.586
  349    HE2  TYR  46           HE2      TYR  46  -7.781  -4.171  -8.330
  350    HH   TYR  46           HH       TYR  46  -9.335  -2.565  -6.477
  351    H    ASP  47           HN       ASP  47  -3.762  -5.582  -5.329
  352    HA   ASP  47           HA       ASP  47  -4.168  -7.749  -7.356
  353   1HB   ASP  47          HB2       ASP  47  -3.816  -7.614  -4.367
  354   2HB   ASP  47          HB1       ASP  47  -4.575  -9.026  -5.102
  355    H    ASP  48           HN       ASP  48  -6.196  -7.472  -8.234
  356    HA   ASP  48           HA       ASP  48  -8.411  -6.197  -6.908
  357   1HB   ASP  48          HB2       ASP  48  -9.647  -7.059  -8.885
  358   2HB   ASP  48          HB1       ASP  48  -8.106  -6.337  -9.345
  359    H    ALA  49           HN       ALA  49  -7.196  -9.468  -6.831
  360    HA   ALA  49           HA       ALA  49  -9.487 -10.985  -6.257
  361   1HB   ALA  49          HB1       ALA  49  -6.958 -11.443  -4.729
  362   2HB   ALA  49          HB2       ALA  49  -6.876 -11.478  -6.490
  363   3HB   ALA  49          HB3       ALA  49  -7.939 -12.595  -5.635
  364    H    THR  50           HN       THR  50  -7.474  -9.054  -4.033
  365    HA   THR  50           HA       THR  50  -9.745  -8.985  -2.107
  366    HB   THR  50           HB       THR  50  -8.187  -9.669  -0.292
  367    HG1  THR  50           HG1      THR  50  -6.148 -10.418  -0.879
  368   1HG2  THR  50          HG21      THR  50  -8.135 -12.010  -0.832
  369   2HG2  THR  50          HG22      THR  50  -8.127 -11.669  -2.562
  370   3HG2  THR  50          HG23      THR  50  -9.570 -11.337  -1.604
  371    H    LYS  51           HN       LYS  51  -8.070  -7.080  -3.923
  372    HA   LYS  51           HA       LYS  51  -7.200  -4.887  -3.787
  373   1HB   LYS  51          HB2       LYS  51  -9.365  -5.282  -1.873
  374   2HB   LYS  51          HB1       LYS  51  -8.256  -4.026  -1.322
  375   1HG   LYS  51          HG2       LYS  51  -9.575  -2.721  -2.669
  376   2HG   LYS  51          HG1       LYS  51  -8.458  -3.304  -3.905
  377   1HD   LYS  51          HD2       LYS  51 -10.651  -3.675  -4.785
  378   2HD   LYS  51          HD1       LYS  51 -10.075  -5.254  -4.249
  379   1HE   LYS  51          HE2       LYS  51 -11.281  -4.216  -1.961
  380   2HE   LYS  51          HE1       LYS  51 -12.355  -3.694  -3.274
  381   1HZ   LYS  51          HZ1       LYS  51 -11.298  -6.451  -2.937
  382   2HZ   LYS  51          HZ2       LYS  51 -12.380  -5.929  -4.138
  383   3HZ   LYS  51          HZ3       LYS  51 -12.864  -5.960  -2.510
  384    H    THR  52           HN       THR  52  -4.954  -5.316  -3.459
  385    HA   THR  52           HA       THR  52  -3.981  -4.719  -0.727
  386    HB   THR  52           HB       THR  52  -3.228  -7.259  -2.201
  387    HG1  THR  52           HG1      THR  52  -4.868  -8.141  -1.259
  388   1HG2  THR  52          HG21      THR  52  -1.740  -5.978  -0.382
  389   2HG2  THR  52          HG22      THR  52  -1.836  -7.738  -0.435
  390   3HG2  THR  52          HG23      THR  52  -2.817  -6.836   0.720
  391    H    PHE  53           HN       PHE  53  -2.783  -2.929  -1.435
  392    HA   PHE  53           HA       PHE  53  -1.255  -2.782  -3.870
  393   1HB   PHE  53          HB2       PHE  53  -1.169  -1.363  -1.193
  394   2HB   PHE  53          HB1       PHE  53  -0.111  -0.906  -2.526
  395    HD1  PHE  53           HD1      PHE  53  -1.045  -0.003  -4.620
  396    HD2  PHE  53           HD2      PHE  53  -3.532  -0.904  -1.243
  397    HE1  PHE  53           HE1      PHE  53  -2.880   1.339  -5.617
  398    HE2  PHE  53           HE2      PHE  53  -5.370   0.437  -2.232
  399    HZ   PHE  53           HZ       PHE  53  -5.043   1.559  -4.422
  400    H    THR  54           HN       THR  54   0.715  -3.757  -4.323
  401    HA   THR  54           HA       THR  54   2.260  -4.839  -1.977
  402    HB   THR  54           HB       THR  54   1.939  -5.944  -4.781
  403    HG1  THR  54           HG1      THR  54   0.630  -7.463  -3.725
  404   1HG2  THR  54          HG21      THR  54   4.017  -6.413  -3.091
  405   2HG2  THR  54          HG22      THR  54   3.394  -7.611  -4.224
  406   3HG2  THR  54          HG23      THR  54   2.874  -7.638  -2.540
  407    H    VAL  55           HN       VAL  55   4.019  -3.438  -1.766
  408    HA   VAL  55           HA       VAL  55   5.571  -2.795  -4.205
  409    HB   VAL  55           HB       VAL  55   4.667  -0.863  -2.872
  410   1HG1  VAL  55          HG11      VAL  55   6.623  -1.763  -0.766
  411   2HG1  VAL  55          HG12      VAL  55   4.884  -2.040  -0.649
  412   3HG1  VAL  55          HG13      VAL  55   5.514  -0.388  -0.675
  413   1HG2  VAL  55          HG21      VAL  55   6.693   0.409  -2.916
  414   2HG2  VAL  55          HG22      VAL  55   6.812  -0.780  -4.213
  415   3HG2  VAL  55          HG23      VAL  55   7.673  -1.041  -2.696
  416    H    THR  56           HN       THR  56   8.002  -2.710  -3.749
  417    HA   THR  56           HA       THR  56   9.023  -4.328  -1.524
  418    HB   THR  56           HB       THR  56   9.002  -5.268  -4.407
  419    HG1  THR  56           HG1      THR  56   7.756  -6.944  -3.552
  420   1HG2  THR  56          HG21      THR  56  10.623  -6.065  -2.049
  421   2HG2  THR  56          HG22      THR  56  10.997  -6.198  -3.767
  422   3HG2  THR  56          HG23      THR  56   9.941  -7.384  -3.000
  423    H    GLU  57           HN       GLU  57  10.742  -2.980  -1.032
  424    HA   GLU  57           HA       GLU  57  12.186  -1.468  -3.084
  425   1HB   GLU  57          HB2       GLU  57  11.633  -1.146  -0.441
  426   2HB   GLU  57          HB1       GLU  57  13.271  -1.790  -0.338
  427   1HG   GLU  57          HG2       GLU  57  13.613   0.012  -2.332
  428   2HG   GLU  57          HG1       GLU  57  12.325   0.806  -1.426
  Start of MODEL   32
    1   1H    MET   1          HT1       MET   1  17.148  -0.550   3.750
    2   2H    MET   1          HT2       MET   1  17.689  -1.366   2.362
    3   3H    MET   1          HT3       MET   1  17.568  -2.191   3.842
    4    HA   MET   1           HA       MET   1  15.722  -2.652   2.211
    5   1HB   MET   1          HB2       MET   1  14.070  -2.527   4.082
    6   2HB   MET   1          HB1       MET   1  15.631  -3.150   4.610
    7   1HG   MET   1          HG2       MET   1  15.244  -0.198   4.772
    8   2HG   MET   1          HG1       MET   1  14.344  -1.181   5.925
    9   1HE   MET   1          HE1       MET   1  16.952  -3.207   7.777
   10   2HE   MET   1          HE2       MET   1  15.588  -3.438   6.685
   11   3HE   MET   1          HE3       MET   1  15.437  -2.335   8.051
   12    H    THR   2           HN       THR   2  13.244  -1.584   2.438
   13    HA   THR   2           HA       THR   2  13.418   1.314   1.748
   14    HB   THR   2           HB       THR   2  12.150  -0.853   0.042
   15    HG1  THR   2           HG1      THR   2  14.160  -1.045  -0.546
   16   1HG2  THR   2          HG21      THR   2  12.426   2.142  -0.275
   17   2HG2  THR   2          HG22      THR   2  10.936   1.199  -0.223
   18   3HG2  THR   2          HG23      THR   2  12.017   1.067  -1.612
   19    H    THR   3           HN       THR   3  11.978   2.167   3.209
   20    HA   THR   3           HA       THR   3   9.671   0.664   4.154
   21    HB   THR   3           HB       THR   3  10.503   3.529   4.660
   22    HG1  THR   3           HG1      THR   3  11.207   1.149   6.032
   23   1HG2  THR   3          HG21      THR   3   8.762   1.549   6.144
   24   2HG2  THR   3          HG22      THR   3   8.281   3.106   5.468
   25   3HG2  THR   3          HG23      THR   3   9.355   3.045   6.866
   26    H    PHE   4           HN       PHE   4   8.252   0.488   2.333
   27    HA   PHE   4           HA       PHE   4   7.493   2.823   0.745
   28   1HB   PHE   4          HB2       PHE   4   6.409   0.004   1.050
   29   2HB   PHE   4          HB1       PHE   4   5.823   1.148  -0.154
   30    HD1  PHE   4           HD1      PHE   4   7.279   1.889  -2.003
   31    HD2  PHE   4           HD2      PHE   4   8.596  -1.026   0.864
   32    HE1  PHE   4           HE1      PHE   4   9.146   1.251  -3.507
   33    HE2  PHE   4           HE2      PHE   4  10.461  -1.664  -0.641
   34    HZ   PHE   4           HZ       PHE   4  10.734  -0.525  -2.827
   35    H    LYS   5           HN       LYS   5   4.933   3.158   0.576
   36    HA   LYS   5           HA       LYS   5   3.670   3.088   3.283
   37   1HB   LYS   5          HB2       LYS   5   5.010   5.239   2.682
   38   2HB   LYS   5          HB1       LYS   5   3.675   5.578   1.579
   39   1HG   LYS   5          HG2       LYS   5   2.108   5.241   3.549
   40   2HG   LYS   5          HG1       LYS   5   3.538   5.223   4.582
   41   1HD   LYS   5          HD2       LYS   5   3.230   7.474   2.636
   42   2HD   LYS   5          HD1       LYS   5   2.238   7.490   4.094
   43   1HE   LYS   5          HE2       LYS   5   5.158   6.895   4.408
   44   2HE   LYS   5          HE1       LYS   5   4.670   8.576   4.114
   45   1HZ   LYS   5          HZ1       LYS   5   3.168   8.501   5.930
   46   2HZ   LYS   5          HZ2       LYS   5   4.646   7.893   6.506
   47   3HZ   LYS   5          HZ3       LYS   5   3.374   6.830   6.132
   48    H    LEU   6           HN       LEU   6   1.796   1.967   2.849
   49    HA   LEU   6           HA       LEU   6   0.419   2.304   0.243
   50   1HB   LEU   6          HB2       LEU   6   0.969   0.142   1.690
   51   2HB   LEU   6          HB1       LEU   6  -0.517   0.578   2.513
   52    HG   LEU   6           HG       LEU   6  -0.118  -0.658  -0.131
   53   1HD1  LEU   6          HD11      LEU   6  -1.405  -1.921   1.311
   54   2HD1  LEU   6          HD12      LEU   6  -2.673  -1.083   0.416
   55   3HD1  LEU   6          HD13      LEU   6  -2.199  -0.511   2.015
   56   1HD2  LEU   6          HD21      LEU   6  -2.231   0.412  -1.088
   57   2HD2  LEU   6          HD22      LEU   6  -0.796   1.436  -1.109
   58   3HD2  LEU   6          HD23      LEU   6  -2.036   1.684   0.119
   59    H    ILE   7           HN       ILE   7  -1.090   3.938   0.128
   60    HA   ILE   7           HA       ILE   7  -2.236   5.182   2.484
   61    HB   ILE   7           HB       ILE   7  -1.760   5.971  -0.033
   62   1HG1  ILE   7          HG12      ILE   7  -4.224   7.096   1.248
   63   2HG1  ILE   7          HG11      ILE   7  -2.677   7.194   2.089
   64   1HG2  ILE   7          HG21      ILE   7  -4.739   5.570  -0.209
   65   2HG2  ILE   7          HG22      ILE   7  -3.630   4.348  -0.829
   66   3HG2  ILE   7          HG23      ILE   7  -3.600   5.981  -1.490
   67   1HD1  ILE   7          HD11      ILE   7  -3.438   8.384  -0.575
   68   2HD1  ILE   7          HD12      ILE   7  -1.748   8.128  -0.138
   69   3HD1  ILE   7          HD13      ILE   7  -2.760   9.196   0.837
   70    H    ILE   8           HN       ILE   8  -4.789   5.325   2.585
   71    HA   ILE   8           HA       ILE   8  -5.961   2.626   2.014
   72    HB   ILE   8           HB       ILE   8  -6.175   4.278   4.549
   73   1HG1  ILE   8          HG12      ILE   8  -4.827   1.601   4.103
   74   2HG1  ILE   8          HG11      ILE   8  -3.963   3.138   4.147
   75   1HG2  ILE   8          HG21      ILE   8  -7.230   1.510   3.903
   76   2HG2  ILE   8          HG22      ILE   8  -8.217   2.965   4.036
   77   3HG2  ILE   8          HG23      ILE   8  -7.377   2.336   5.454
   78   1HD1  ILE   8          HD11      ILE   8  -3.795   2.338   6.363
   79   2HD1  ILE   8          HD12      ILE   8  -5.464   1.769   6.375
   80   3HD1  ILE   8          HD13      ILE   8  -5.122   3.498   6.433
   81    H    ASN   9           HN       ASN   9  -6.831   3.996   0.140
   82    HA   ASN   9           HA       ASN   9  -9.005   5.866   0.936
   83   1HB   ASN   9          HB2       ASN   9  -7.130   5.598  -1.228
   84   2HB   ASN   9          HB1       ASN   9  -8.757   5.501  -1.900
   85   1HD2  ASN   9          HD21      ASN   9  -6.535   7.751  -1.679
   86   2HD2  ASN   9          HD22      ASN   9  -7.440   9.108  -1.210
   87    H    GLY  10           HN       GLY  10  -9.460   3.217   1.641
   88   1HA   GLY  10          HA2       GLY  10 -11.325   2.167  -0.434
   89   2HA   GLY  10          HA1       GLY  10 -10.653   1.219   0.895
   90    H    LYS  11           HN       LYS  11 -13.442   1.404   0.321
   91    HA   LYS  11           HA       LYS  11 -14.709   3.292   2.150
   92   1HB   LYS  11          HB2       LYS  11 -15.660   2.274   0.029
   93   2HB   LYS  11          HB1       LYS  11 -15.812   0.755   0.913
   94   1HG   LYS  11          HG2       LYS  11 -17.534   1.529   2.223
   95   2HG   LYS  11          HG1       LYS  11 -16.932   3.187   2.218
   96   1HD   LYS  11          HD2       LYS  11 -17.587   3.283  -0.244
   97   2HD   LYS  11          HD1       LYS  11 -18.438   1.762   0.015
   98   1HE   LYS  11          HE2       LYS  11 -19.139   3.634   2.117
   99   2HE   LYS  11          HE1       LYS  11 -19.435   4.360   0.525
  100   1HZ   LYS  11          HZ1       LYS  11 -21.307   2.976   1.278
  101   2HZ   LYS  11          HZ2       LYS  11 -20.278   1.624   1.325
  102   3HZ   LYS  11          HZ3       LYS  11 -20.612   2.389  -0.154
  103    H    THR  12           HN       THR  12 -12.929   0.466   2.719
  104    HA   THR  12           HA       THR  12 -14.574  -0.352   5.064
  105    HB   THR  12           HB       THR  12 -12.082  -1.653   3.950
  106    HG1  THR  12           HG1      THR  12 -14.778  -1.889   3.110
  107   1HG2  THR  12          HG21      THR  12 -14.449  -3.085   5.085
  108   2HG2  THR  12          HG22      THR  12 -13.370  -2.242   6.197
  109   3HG2  THR  12          HG23      THR  12 -12.740  -3.516   5.152
  110    H    LEU  13           HN       LEU  13 -11.398   0.957   4.163
  111    HA   LEU  13           HA       LEU  13 -10.895   1.492   7.074
  112   1HB   LEU  13          HB2       LEU  13  -9.017   0.436   4.939
  113   2HB   LEU  13          HB1       LEU  13  -8.480   0.982   6.528
  114    HG   LEU  13           HG       LEU  13 -10.615  -1.131   6.188
  115   1HD1  LEU  13          HD11      LEU  13  -7.626  -1.342   6.112
  116   2HD1  LEU  13          HD12      LEU  13  -8.833  -2.257   5.209
  117   3HD1  LEU  13          HD13      LEU  13  -8.546  -2.616   6.912
  118   1HD2  LEU  13          HD21      LEU  13 -10.455  -1.398   8.472
  119   2HD2  LEU  13          HD22      LEU  13  -9.982   0.298   8.377
  120   3HD2  LEU  13          HD23      LEU  13  -8.748  -0.954   8.508
  121    H    LYS  14           HN       LYS  14  -8.995   3.166   7.224
  122    HA   LYS  14           HA       LYS  14  -8.784   5.059   4.977
  123   1HB   LYS  14          HB2       LYS  14 -10.681   5.313   7.224
  124   2HB   LYS  14          HB1       LYS  14  -9.693   6.749   6.958
  125   1HG   LYS  14          HG2       LYS  14 -10.343   6.251   4.409
  126   2HG   LYS  14          HG1       LYS  14 -11.740   5.500   5.182
  127   1HD   LYS  14          HD2       LYS  14 -11.866   7.702   6.567
  128   2HD   LYS  14          HD1       LYS  14 -10.844   8.373   5.295
  129   1HE   LYS  14          HE2       LYS  14 -12.489   7.932   3.606
  130   2HE   LYS  14          HE1       LYS  14 -13.442   6.920   4.709
  131   1HZ   LYS  14          HZ1       LYS  14 -14.333   9.182   4.576
  132   2HZ   LYS  14          HZ2       LYS  14 -12.846   9.805   5.111
  133   3HZ   LYS  14          HZ3       LYS  14 -13.779   8.826   6.139
  134    H    GLY  15           HN       GLY  15  -6.810   6.082   5.133
  135   1HA   GLY  15          HA2       GLY  15  -5.363   7.382   6.839
  136   2HA   GLY  15          HA1       GLY  15  -5.344   5.856   7.723
  137    H    GLU  16           HN       GLU  16  -3.108   5.483   7.504
  138    HA   GLU  16           HA       GLU  16  -2.212   4.769   4.735
  139   1HB   GLU  16          HB2       GLU  16  -0.895   6.494   6.842
  140   2HB   GLU  16          HB1       GLU  16   0.029   5.770   5.525
  141   1HG   GLU  16          HG2       GLU  16  -0.989   7.074   3.905
  142   2HG   GLU  16          HG1       GLU  16  -2.472   7.264   4.841
  143    H    THR  17           HN       THR  17  -0.026   3.488   4.967
  144    HA   THR  17           HA       THR  17   0.151   1.891   7.464
  145    HB   THR  17           HB       THR  17  -0.229   0.573   4.767
  146    HG1  THR  17           HG1      THR  17  -2.255   1.024   4.927
  147   1HG2  THR  17          HG21      THR  17  -0.425  -1.408   5.966
  148   2HG2  THR  17          HG22      THR  17  -0.942  -0.585   7.438
  149   3HG2  THR  17          HG23      THR  17   0.752  -0.537   6.950
  150    H    THR  18           HN       THR  18   2.277   1.344   7.846
  151    HA   THR  18           HA       THR  18   4.225   1.619   5.575
  152    HB   THR  18           HB       THR  18   5.789   2.336   7.452
  153    HG1  THR  18           HG1      THR  18   4.428   1.397   9.098
  154   1HG2  THR  18          HG21      THR  18   4.449   4.567   7.793
  155   2HG2  THR  18          HG22      THR  18   3.330   3.851   6.634
  156   3HG2  THR  18          HG23      THR  18   5.011   4.130   6.180
  157    H    THR  19           HN       THR  19   6.180   0.243   5.827
  158    HA   THR  19           HA       THR  19   6.196  -1.930   7.779
  159    HB   THR  19           HB       THR  19   4.392  -2.631   6.250
  160    HG1  THR  19           HG1      THR  19   5.507  -4.341   6.970
  161   1HG2  THR  19          HG21      THR  19   5.637  -1.319   4.294
  162   2HG2  THR  19          HG22      THR  19   4.580  -2.687   3.947
  163   3HG2  THR  19          HG23      THR  19   6.328  -2.913   3.989
  164    H    GLU  20           HN       GLU  20   7.912  -3.665   6.881
  165    HA   GLU  20           HA       GLU  20  10.232  -2.080   5.840
  166   1HB   GLU  20          HB2       GLU  20   9.769  -4.061   7.958
  167   2HB   GLU  20          HB1       GLU  20  11.162  -4.459   6.953
  168   1HG   GLU  20          HG2       GLU  20  12.226  -3.046   8.413
  169   2HG   GLU  20          HG1       GLU  20  11.618  -1.823   7.296
  170    H    ALA  21           HN       ALA  21  10.732  -2.536   3.740
  171    HA   ALA  21           HA       ALA  21  10.627  -5.358   2.794
  172   1HB   ALA  21          HB1       ALA  21   9.522  -3.285   0.970
  173   2HB   ALA  21          HB2       ALA  21   8.530  -3.689   2.372
  174   3HB   ALA  21          HB3       ALA  21   8.995  -4.948   1.228
  175    H    VAL  22           HN       VAL  22  12.300  -5.786   1.348
  176    HA   VAL  22           HA       VAL  22  14.515  -4.048   1.085
  177    HB   VAL  22           HB       VAL  22  15.212  -5.713  -0.609
  178   1HG1  VAL  22          HG11      VAL  22  13.802  -7.358   1.428
  179   2HG1  VAL  22          HG12      VAL  22  14.921  -6.127   2.013
  180   3HG1  VAL  22          HG13      VAL  22  15.493  -7.396   0.929
  181   1HG2  VAL  22          HG21      VAL  22  12.285  -6.325  -0.562
  182   2HG2  VAL  22          HG22      VAL  22  13.413  -7.653  -0.828
  183   3HG2  VAL  22          HG23      VAL  22  13.395  -6.279  -1.930
  184    H    ASP  23           HN       ASP  23  11.675  -4.475  -0.993
  185    HA   ASP  23           HA       ASP  23  12.062  -1.891  -2.254
  186   1HB   ASP  23          HB2       ASP  23  12.484  -2.846  -4.548
  187   2HB   ASP  23          HB1       ASP  23  13.817  -3.089  -3.423
  188    H    ALA  24           HN       ALA  24  10.543  -2.001  -4.442
  189    HA   ALA  24           HA       ALA  24   7.880  -2.275  -3.573
  190   1HB   ALA  24          HB1       ALA  24   8.476  -2.688  -6.454
  191   2HB   ALA  24          HB2       ALA  24   9.164  -1.241  -5.718
  192   3HB   ALA  24          HB3       ALA  24   7.420  -1.503  -5.686
  193    H    ALA  25           HN       ALA  25  10.055  -4.672  -4.933
  194    HA   ALA  25           HA       ALA  25   8.188  -6.641  -5.806
  195   1HB   ALA  25          HB1       ALA  25  10.717  -7.446  -4.432
  196   2HB   ALA  25          HB2       ALA  25  10.858  -6.367  -5.821
  197   3HB   ALA  25          HB3       ALA  25  10.090  -7.944  -6.004
  198    H    THR  26           HN       THR  26   9.227  -5.715  -2.582
  199    HA   THR  26           HA       THR  26   7.719  -8.023  -1.408
  200    HB   THR  26           HB       THR  26   9.766  -6.140  -0.190
  201    HG1  THR  26           HG1      THR  26  10.708  -7.412  -1.772
  202   1HG2  THR  26          HG21      THR  26   8.501  -7.057   1.579
  203   2HG2  THR  26          HG22      THR  26   9.895  -8.130   1.453
  204   3HG2  THR  26          HG23      THR  26   8.343  -8.617   0.771
  205    H    ALA  27           HN       ALA  27   7.935  -4.520  -1.581
  206    HA   ALA  27           HA       ALA  27   6.325  -3.774   0.645
  207   1HB   ALA  27          HB1       ALA  27   7.713  -2.496  -1.271
  208   2HB   ALA  27          HB2       ALA  27   6.458  -1.685  -0.335
  209   3HB   ALA  27          HB3       ALA  27   6.094  -2.307  -1.945
  210    H    GLU  28           HN       GLU  28   5.267  -4.006  -2.776
  211    HA   GLU  28           HA       GLU  28   2.465  -3.825  -2.264
  212   1HB   GLU  28          HB2       GLU  28   4.066  -3.845  -4.438
  213   2HB   GLU  28          HB1       GLU  28   3.466  -5.502  -4.519
  214   1HG   GLU  28          HG2       GLU  28   1.122  -4.432  -4.156
  215   2HG   GLU  28          HG1       GLU  28   1.905  -2.929  -4.644
  216    H    LYS  29           HN       LYS  29   4.645  -6.630  -2.353
  217    HA   LYS  29           HA       LYS  29   2.727  -8.727  -2.317
  218   1HB   LYS  29          HB2       LYS  29   5.203  -8.918  -2.611
  219   2HB   LYS  29          HB1       LYS  29   5.408  -8.549  -0.898
  220   1HG   LYS  29          HG2       LYS  29   4.168 -10.544  -0.268
  221   2HG   LYS  29          HG1       LYS  29   3.795 -10.887  -1.958
  222   1HD   LYS  29          HD2       LYS  29   5.922 -11.635  -2.422
  223   2HD   LYS  29          HD1       LYS  29   6.671 -10.559  -1.242
  224   1HE   LYS  29          HE2       LYS  29   5.930 -11.974   0.601
  225   2HE   LYS  29          HE1       LYS  29   5.022 -13.009  -0.519
  226   1HZ   LYS  29          HZ1       LYS  29   7.028 -13.581  -1.653
  227   2HZ   LYS  29          HZ2       LYS  29   7.284 -13.857   0.004
  228   3HZ   LYS  29          HZ3       LYS  29   7.936 -12.476  -0.742
  229    H    VAL  30           HN       VAL  30   4.196  -6.950   0.419
  230    HA   VAL  30           HA       VAL  30   2.616  -8.382   2.425
  231    HB   VAL  30           HB       VAL  30   4.328  -5.870   2.501
  232   1HG1  VAL  30          HG11      VAL  30   2.973  -5.790   4.450
  233   2HG1  VAL  30          HG12      VAL  30   4.476  -6.545   4.985
  234   3HG1  VAL  30          HG13      VAL  30   3.052  -7.538   4.675
  235   1HG2  VAL  30          HG21      VAL  30   5.251  -8.272   1.869
  236   2HG2  VAL  30          HG22      VAL  30   5.126  -8.541   3.607
  237   3HG2  VAL  30          HG23      VAL  30   6.143  -7.240   2.987
  238    H    PHE  31           HN       PHE  31   2.553  -5.109   0.980
  239    HA   PHE  31           HA       PHE  31   0.321  -4.150   2.520
  240   1HB   PHE  31          HB2       PHE  31   1.746  -3.395  -0.015
  241   2HB   PHE  31          HB1       PHE  31   0.246  -2.569   0.400
  242    HD1  PHE  31           HD1      PHE  31   0.319  -2.319   3.297
  243    HD2  PHE  31           HD2      PHE  31   3.530  -1.965   0.463
  244    HE1  PHE  31           HE1      PHE  31   1.561  -0.874   4.884
  245    HE2  PHE  31           HE2      PHE  31   4.770  -0.519   2.051
  246    HZ   PHE  31           HZ       PHE  31   3.785   0.025   4.261
  247    H    LYS  32           HN       LYS  32   0.550  -5.919  -0.549
  248    HA   LYS  32           HA       LYS  32  -2.187  -5.606  -1.372
  249   1HB   LYS  32          HB2       LYS  32  -0.348  -6.420  -2.816
  250   2HB   LYS  32          HB1       LYS  32  -0.187  -7.861  -1.813
  251   1HG   LYS  32          HG2       LYS  32  -1.514  -8.511  -3.696
  252   2HG   LYS  32          HG1       LYS  32  -2.635  -8.347  -2.344
  253   1HD   LYS  32          HD2       LYS  32  -2.704  -5.815  -3.287
  254   2HD   LYS  32          HD1       LYS  32  -2.358  -6.676  -4.786
  255   1HE   LYS  32          HE2       LYS  32  -4.294  -8.270  -4.051
  256   2HE   LYS  32          HE1       LYS  32  -4.762  -6.930  -2.985
  257   1HZ   LYS  32          HZ1       LYS  32  -4.617  -5.439  -4.916
  258   2HZ   LYS  32          HZ2       LYS  32  -5.802  -6.639  -5.125
  259   3HZ   LYS  32          HZ3       LYS  32  -4.304  -6.772  -5.917
  260    H    GLN  33           HN       GLN  33  -0.524  -7.995   0.682
  261    HA   GLN  33           HA       GLN  33  -2.752  -9.735   1.145
  262   1HB   GLN  33          HB2       GLN  33  -0.279 -10.107   1.613
  263   2HB   GLN  33          HB1       GLN  33  -0.475  -9.074   3.029
  264   1HG   GLN  33          HG2       GLN  33  -0.795 -11.232   3.908
  265   2HG   GLN  33          HG1       GLN  33  -2.445 -10.671   3.632
  266   1HE2  GLN  33          HE21      GLN  33  -3.602 -11.547   1.741
  267   2HE2  GLN  33          HE22      GLN  33  -3.074 -12.973   0.986
  268    H    TYR  34           HN       TYR  34  -1.676  -6.769   2.621
  269    HA   TYR  34           HA       TYR  34  -3.450  -6.749   4.901
  270   1HB   TYR  34          HB2       TYR  34  -1.664  -5.270   5.091
  271   2HB   TYR  34          HB1       TYR  34  -1.675  -4.873   3.378
  272    HD1  TYR  34           HD1      TYR  34  -2.893  -2.983   2.554
  273    HD2  TYR  34           HD2      TYR  34  -3.356  -4.259   6.623
  274    HE1  TYR  34           HE1      TYR  34  -4.134  -0.896   3.057
  275    HE2  TYR  34           HE2      TYR  34  -4.597  -2.167   7.139
  276    HH   TYR  34           HH       TYR  34  -6.047  -0.356   5.136
  277    H    ALA  35           HN       ALA  35  -3.594  -4.916   1.832
  278    HA   ALA  35           HA       ALA  35  -6.262  -3.957   2.102
  279   1HB   ALA  35          HB1       ALA  35  -4.211  -4.323  -0.014
  280   2HB   ALA  35          HB2       ALA  35  -5.138  -2.881   0.414
  281   3HB   ALA  35          HB3       ALA  35  -5.870  -4.136  -0.587
  282    H    ASN  36           HN       ASN  36  -5.027  -6.851   0.397
  283    HA   ASN  36           HA       ASN  36  -7.449  -7.833  -0.648
  284   1HB   ASN  36          HB2       ASN  36  -5.091  -8.624  -1.064
  285   2HB   ASN  36          HB1       ASN  36  -5.153  -9.445   0.497
  286   1HD2  ASN  36          HD21      ASN  36  -5.629  -9.984  -2.771
  287   2HD2  ASN  36          HD22      ASN  36  -6.693 -11.304  -2.675
  288    H    ASP  37           HN       ASP  37  -6.207  -7.948   2.636
  289    HA   ASP  37           HA       ASP  37  -7.897 -10.034   3.672
  290   1HB   ASP  37          HB2       ASP  37  -5.819  -8.995   4.694
  291   2HB   ASP  37          HB1       ASP  37  -6.807  -7.592   5.105
  292    H    ASN  38           HN       ASN  38  -8.228  -6.468   3.827
  293    HA   ASN  38           HA       ASN  38 -10.952  -6.612   4.880
  294   1HB   ASN  38          HB2       ASN  38  -9.065  -4.470   3.894
  295   2HB   ASN  38          HB1       ASN  38 -10.731  -4.079   4.324
  296   1HD2  ASN  38          HD21      ASN  38  -7.595  -5.017   5.622
  297   2HD2  ASN  38          HD22      ASN  38  -8.024  -4.880   7.259
  298    H    GLY  39           HN       GLY  39  -9.476  -5.735   1.743
  299   1HA   GLY  39          HA2       GLY  39 -10.743  -6.668  -0.257
  300   2HA   GLY  39          HA1       GLY  39 -12.186  -5.998   0.503
  301    H    ILE  40           HN       ILE  40  -8.896  -4.706  -0.113
  302    HA   ILE  40           HA       ILE  40 -10.179  -2.211  -1.139
  303    HB   ILE  40           HB       ILE  40  -7.381  -2.865  -0.158
  304   1HG1  ILE  40          HG12      ILE  40  -9.593  -1.177   1.054
  305   2HG1  ILE  40          HG11      ILE  40  -9.187  -2.815   1.564
  306   1HG2  ILE  40          HG21      ILE  40  -7.379  -0.209  -0.127
  307   2HG2  ILE  40          HG22      ILE  40  -8.573  -0.410  -1.407
  308   3HG2  ILE  40          HG23      ILE  40  -6.951  -1.080  -1.602
  309   1HD1  ILE  40          HD11      ILE  40  -7.060  -0.685   1.501
  310   2HD1  ILE  40          HD12      ILE  40  -7.118  -2.163   2.460
  311   3HD1  ILE  40          HD13      ILE  40  -8.162  -0.801   2.873
  312    H    ASP  41           HN       ASP  41 -10.530  -3.897  -3.093
  313    HA   ASP  41           HA       ASP  41  -8.164  -4.177  -4.839
  314   1HB   ASP  41          HB2       ASP  41 -10.980  -5.111  -4.677
  315   2HB   ASP  41          HB1       ASP  41 -10.341  -4.919  -6.310
  316    H    GLY  42           HN       GLY  42  -8.357  -1.547  -4.407
  317   1HA   GLY  42          HA2       GLY  42 -10.143  -0.222  -6.314
  318   2HA   GLY  42          HA1       GLY  42  -8.968   0.563  -5.256
  319    H    GLU  43           HN       GLU  43  -7.797   1.755  -6.678
  320    HA   GLU  43           HA       GLU  43  -6.541   0.349  -8.964
  321   1HB   GLU  43          HB2       GLU  43  -7.257   3.266  -8.534
  322   2HB   GLU  43          HB1       GLU  43  -6.446   2.640  -9.970
  323   1HG   GLU  43          HG2       GLU  43  -8.349   1.652 -10.784
  324   2HG   GLU  43          HG1       GLU  43  -8.965   1.273  -9.176
  325    H    TRP  44           HN       TRP  44  -4.611  -0.288  -8.043
  326    HA   TRP  44           HA       TRP  44  -3.173   1.259  -6.115
  327   1HB   TRP  44          HB2       TRP  44  -2.553  -1.130  -7.840
  328   2HB   TRP  44          HB1       TRP  44  -1.391  -0.481  -6.679
  329    HD1  TRP  44           HD1      TRP  44  -5.045  -1.736  -6.766
  330    HE1  TRP  44           HE1      TRP  44  -5.588  -2.768  -4.464
  331    HE3  TRP  44           HE3      TRP  44  -0.681  -0.752  -4.300
  332    HZ2  TRP  44           HZ2      TRP  44  -4.341  -3.109  -1.917
  333    HZ3  TRP  44           HZ3      TRP  44  -0.388  -1.440  -1.938
  334    HH2  TRP  44           HH2      TRP  44  -2.211  -2.623  -0.744
  335    H    THR  45           HN       THR  45  -1.432   2.560  -6.334
  336    HA   THR  45           HA       THR  45  -0.140   2.982  -8.957
  337    HB   THR  45           HB       THR  45  -0.582   5.512  -8.544
  338    HG1  THR  45           HG1      THR  45  -2.327   5.960  -7.286
  339   1HG2  THR  45          HG21      THR  45  -1.626   3.945 -10.303
  340   2HG2  THR  45          HG22      THR  45  -2.499   5.431  -9.931
  341   3HG2  THR  45          HG23      THR  45  -3.033   3.898  -9.241
  342    H    TYR  46           HN       TYR  46   2.006   3.350  -8.570
  343    HA   TYR  46           HA       TYR  46   2.837   3.801  -5.743
  344   1HB   TYR  46          HB2       TYR  46   3.706   1.800  -6.711
  345   2HB   TYR  46          HB1       TYR  46   4.068   2.597  -8.237
  346    HD1  TYR  46           HD1      TYR  46   5.993   4.165  -8.409
  347    HD2  TYR  46           HD2      TYR  46   5.256   1.869  -4.854
  348    HE1  TYR  46           HE1      TYR  46   8.310   4.602  -7.646
  349    HE2  TYR  46           HE2      TYR  46   7.568   2.305  -4.093
  350    HH   TYR  46           HH       TYR  46   9.974   3.520  -6.126
  351    H    ASP  47           HN       ASP  47   4.053   5.595  -5.191
  352    HA   ASP  47           HA       ASP  47   4.562   7.626  -7.333
  353   1HB   ASP  47          HB2       ASP  47   3.601   7.635  -4.529
  354   2HB   ASP  47          HB1       ASP  47   4.720   8.936  -4.936
  355    H    ASP  48           HN       ASP  48   6.687   7.265  -7.951
  356    HA   ASP  48           HA       ASP  48   8.783   6.273  -6.278
  357   1HB   ASP  48          HB2       ASP  48  10.213   7.061  -8.155
  358   2HB   ASP  48          HB1       ASP  48   8.778   6.218  -8.736
  359    H    ALA  49           HN       ALA  49   7.426   9.473  -6.582
  360    HA   ALA  49           HA       ALA  49   9.559  11.151  -5.874
  361   1HB   ALA  49          HB1       ALA  49   7.622  12.475  -4.765
  362   2HB   ALA  49          HB2       ALA  49   6.597  11.146  -5.308
  363   3HB   ALA  49          HB3       ALA  49   7.487  12.113  -6.485
  364    H    THR  50           HN       THR  50   7.462   9.200  -3.759
  365    HA   THR  50           HA       THR  50   9.505   9.395  -1.605
  366    HB   THR  50           HB       THR  50   7.732  10.080  -0.001
  367    HG1  THR  50           HG1      THR  50   6.168  10.285  -2.358
  368   1HG2  THR  50          HG21      THR  50   7.765  11.954  -2.375
  369   2HG2  THR  50          HG22      THR  50   9.145  11.752  -1.296
  370   3HG2  THR  50          HG23      THR  50   7.620  12.377  -0.668
  371    H    LYS  51           HN       LYS  51   8.145   7.295  -3.465
  372    HA   LYS  51           HA       LYS  51   7.377   5.067  -3.289
  373   1HB   LYS  51          HB2       LYS  51   9.313   5.684  -1.194
  374   2HB   LYS  51          HB1       LYS  51   8.226   4.388  -0.696
  375   1HG   LYS  51          HG2       LYS  51   9.671   3.062  -1.855
  376   2HG   LYS  51          HG1       LYS  51   8.765   3.629  -3.258
  377   1HD   LYS  51          HD2       LYS  51  10.985   4.083  -3.873
  378   2HD   LYS  51          HD1       LYS  51  10.446   5.631  -3.221
  379   1HE   LYS  51          HE2       LYS  51  11.334   4.527  -0.933
  380   2HE   LYS  51          HE1       LYS  51  12.391   3.679  -2.080
  381   1HZ   LYS  51          HZ1       LYS  51  11.952   6.617  -1.954
  382   2HZ   LYS  51          HZ2       LYS  51  12.912   5.818  -3.105
  383   3HZ   LYS  51          HZ3       LYS  51  13.357   5.804  -1.465
  384    H    THR  52           HN       THR  52   5.079   5.518  -3.200
  385    HA   THR  52           HA       THR  52   3.884   4.965  -0.534
  386    HB   THR  52           HB       THR  52   3.096   7.347  -2.235
  387    HG1  THR  52           HG1      THR  52   5.067   7.844  -1.455
  388   1HG2  THR  52          HG21      THR  52   2.235   7.911   0.237
  389   2HG2  THR  52          HG22      THR  52   2.196   6.151   0.343
  390   3HG2  THR  52          HG23      THR  52   1.258   6.981  -0.899
  391    H    PHE  53           HN       PHE  53   2.962   3.019  -1.322
  392    HA   PHE  53           HA       PHE  53   1.629   2.679  -3.841
  393   1HB   PHE  53          HB2       PHE  53   1.460   1.351  -1.125
  394   2HB   PHE  53          HB1       PHE  53   0.518   0.773  -2.497
  395    HD1  PHE  53           HD1      PHE  53   1.628  -0.154  -4.485
  396    HD2  PHE  53           HD2      PHE  53   3.851   1.081  -1.031
  397    HE1  PHE  53           HE1      PHE  53   3.609  -1.401  -5.317
  398    HE2  PHE  53           HE2      PHE  53   5.833  -0.162  -1.853
  399    HZ   PHE  53           HZ       PHE  53   5.712  -1.404  -3.999
  400    H    THR  54           HN       THR  54  -0.347   3.510  -4.485
  401    HA   THR  54           HA       THR  54  -2.183   4.500  -2.315
  402    HB   THR  54           HB       THR  54  -1.638   5.610  -5.083
  403    HG1  THR  54           HG1      THR  54  -0.389   7.052  -4.067
  404   1HG2  THR  54          HG21      THR  54  -3.335   7.078  -4.771
  405   2HG2  THR  54          HG22      THR  54  -2.929   7.315  -3.072
  406   3HG2  THR  54          HG23      THR  54  -3.915   5.937  -3.558
  407    H    VAL  55           HN       VAL  55  -3.865   2.999  -2.265
  408    HA   VAL  55           HA       VAL  55  -5.075   2.179  -4.839
  409    HB   VAL  55           HB       VAL  55  -4.272   0.359  -3.305
  410   1HG1  VAL  55          HG11      VAL  55  -4.832   1.657  -1.196
  411   2HG1  VAL  55          HG12      VAL  55  -5.321  -0.041  -1.198
  412   3HG1  VAL  55          HG13      VAL  55  -6.517   1.230  -1.502
  413   1HG2  VAL  55          HG21      VAL  55  -6.241  -1.002  -3.483
  414   2HG2  VAL  55          HG22      VAL  55  -6.220   0.078  -4.877
  415   3HG2  VAL  55          HG23      VAL  55  -7.281   0.420  -3.511
  416    H    THR  56           HN       THR  56  -7.537   1.991  -4.690
  417    HA   THR  56           HA       THR  56  -8.896   3.686  -2.718
  418    HB   THR  56           HB       THR  56  -8.585   4.436  -5.639
  419    HG1  THR  56           HG1      THR  56  -7.210   5.892  -4.941
  420   1HG2  THR  56          HG21      THR  56 -10.666   5.322  -5.267
  421   2HG2  THR  56          HG22      THR  56  -9.736   6.597  -4.480
  422   3HG2  THR  56          HG23      THR  56 -10.467   5.314  -3.515
  423    H    GLU  57           HN       GLU  57 -10.593   2.276  -2.337
  424    HA   GLU  57           HA       GLU  57 -11.761   0.673  -4.526
  425   1HB   GLU  57          HB2       GLU  57 -11.256   0.128  -1.972
  426   2HB   GLU  57          HB1       GLU  57 -12.855   0.835  -1.738
  427   1HG   GLU  57          HG2       GLU  57 -12.561  -1.157  -3.937
  428   2HG   GLU  57          HG1       GLU  57 -12.525  -1.771  -2.284
  Start of MODEL   33
    1   1H    MET   1          HT1       MET   1 -17.314   3.969   2.429
    2   2H    MET   1          HT2       MET   1 -17.129   2.318   2.784
    3   3H    MET   1          HT3       MET   1 -17.068   2.856   1.174
    4    HA   MET   1           HA       MET   1 -15.008   4.016   1.567
    5   1HB   MET   1          HB2       MET   1 -15.841   3.314   4.366
    6   2HB   MET   1          HB1       MET   1 -14.128   3.555   4.018
    7   1HG   MET   1          HG2       MET   1 -14.387   5.800   3.578
    8   2HG   MET   1          HG1       MET   1 -16.028   5.597   2.964
    9   1HE   MET   1          HE1       MET   1 -16.719   7.562   3.908
   10   2HE   MET   1          HE2       MET   1 -17.357   7.757   5.539
   11   3HE   MET   1          HE3       MET   1 -18.079   6.571   4.455
   12    H    THR   2           HN       THR   2 -13.437   2.736   0.683
   13    HA   THR   2           HA       THR   2 -13.513  -0.197   1.187
   14    HB   THR   2           HB       THR   2 -12.029   1.513  -0.837
   15    HG1  THR   2           HG1      THR   2 -14.389  -0.043  -1.053
   16   1HG2  THR   2          HG21      THR   2 -10.900  -0.599  -0.570
   17   2HG2  THR   2          HG22      THR   2 -11.854  -0.692  -2.051
   18   3HG2  THR   2          HG23      THR   2 -12.431  -1.476  -0.580
   19    H    THR   3           HN       THR   3 -12.219  -0.821   2.872
   20    HA   THR   3           HA       THR   3  -9.885   0.708   3.682
   21    HB   THR   3           HB       THR   3 -11.382  -0.330   5.317
   22    HG1  THR   3           HG1      THR   3  -9.766  -0.888   6.550
   23   1HG2  THR   3          HG21      THR   3 -10.610  -3.090   4.989
   24   2HG2  THR   3          HG22      THR   3 -11.348  -2.501   3.500
   25   3HG2  THR   3          HG23      THR   3 -12.229  -2.392   5.024
   26    H    PHE   4           HN       PHE   4  -8.244   0.527   2.124
   27    HA   PHE   4           HA       PHE   4  -7.551  -2.083   0.945
   28   1HB   PHE   4          HB2       PHE   4  -6.426   0.729   0.792
   29   2HB   PHE   4          HB1       PHE   4  -5.758  -0.623  -0.119
   30    HD1  PHE   4           HD1      PHE   4  -8.511   1.755   0.180
   31    HD2  PHE   4           HD2      PHE   4  -7.129  -1.766  -1.855
   32    HE1  PHE   4           HE1      PHE   4 -10.236   2.090  -1.570
   33    HE2  PHE   4           HE2      PHE   4  -8.856  -1.431  -3.605
   34    HZ   PHE   4           HZ       PHE   4 -10.409   0.497  -3.462
   35    H    LYS   5           HN       LYS   5  -5.131  -2.717   1.051
   36    HA   LYS   5           HA       LYS   5  -3.897  -2.051   3.694
   37   1HB   LYS   5          HB2       LYS   5  -5.383  -4.156   3.636
   38   2HB   LYS   5          HB1       LYS   5  -4.135  -4.864   2.611
   39   1HG   LYS   5          HG2       LYS   5  -2.728  -5.180   4.356
   40   2HG   LYS   5          HG1       LYS   5  -3.030  -3.568   5.001
   41   1HD   LYS   5          HD2       LYS   5  -4.659  -4.296   6.421
   42   2HD   LYS   5          HD1       LYS   5  -5.291  -5.463   5.259
   43   1HE   LYS   5          HE2       LYS   5  -3.194  -6.861   5.715
   44   2HE   LYS   5          HE1       LYS   5  -2.903  -5.786   7.097
   45   1HZ   LYS   5          HZ1       LYS   5  -5.514  -7.106   6.606
   46   2HZ   LYS   5          HZ2       LYS   5  -4.999  -6.308   8.015
   47   3HZ   LYS   5          HZ3       LYS   5  -4.311  -7.800   7.579
   48    H    LEU   6           HN       LEU   6  -1.893  -1.276   3.151
   49    HA   LEU   6           HA       LEU   6  -0.510  -2.286   0.719
   50   1HB   LEU   6          HB2       LEU   6  -0.911   0.187   1.611
   51   2HB   LEU   6          HB1       LEU   6   0.517  -0.159   2.571
   52    HG   LEU   6           HG       LEU   6   0.274   0.420  -0.317
   53   1HD1  LEU   6          HD11      LEU   6   2.840   0.827   0.265
   54   2HD1  LEU   6          HD12      LEU   6   2.230   0.746   1.917
   55   3HD1  LEU   6          HD13      LEU   6   1.587   1.947   0.797
   56   1HD2  LEU   6          HD21      LEU   6   2.338  -0.958  -0.881
   57   2HD2  LEU   6          HD22      LEU   6   0.859  -1.896  -0.679
   58   3HD2  LEU   6          HD23      LEU   6   2.059  -1.857   0.613
   59    H    ILE   7           HN       ILE   7   0.771  -4.084   1.096
   60    HA   ILE   7           HA       ILE   7   1.797  -4.818   3.685
   61    HB   ILE   7           HB       ILE   7   1.372  -6.106   1.368
   62   1HG1  ILE   7          HG12      ILE   7   3.081  -7.847   2.241
   63   2HG1  ILE   7          HG11      ILE   7   3.352  -6.699   3.551
   64   1HG2  ILE   7          HG21      ILE   7   4.376  -5.838   1.276
   65   2HG2  ILE   7          HG22      ILE   7   3.326  -4.809   0.305
   66   3HG2  ILE   7          HG23      ILE   7   3.302  -6.556   0.076
   67   1HD1  ILE   7          HD11      ILE   7   0.847  -8.206   2.849
   68   2HD1  ILE   7          HD12      ILE   7   0.741  -6.681   3.729
   69   3HD1  ILE   7          HD13      ILE   7   1.635  -8.036   4.418
   70    H    ILE   8           HN       ILE   8   4.293  -5.014   4.035
   71    HA   ILE   8           HA       ILE   8   5.682  -2.618   2.887
   72    HB   ILE   8           HB       ILE   8   5.629  -3.592   5.765
   73   1HG1  ILE   8          HG12      ILE   8   4.529  -1.044   4.538
   74   2HG1  ILE   8          HG11      ILE   8   3.547  -2.450   4.951
   75   1HG2  ILE   8          HG21      ILE   8   7.158  -1.921   6.304
   76   2HG2  ILE   8          HG22      ILE   8   6.776  -0.967   4.871
   77   3HG2  ILE   8          HG23      ILE   8   7.761  -2.421   4.725
   78   1HD1  ILE   8          HD11      ILE   8   3.667  -2.041   7.197
   79   2HD1  ILE   8          HD12      ILE   8   3.989  -0.391   6.664
   80   3HD1  ILE   8          HD13      ILE   8   5.327  -1.452   7.105
   81    H    ASN   9           HN       ASN   9   6.519  -4.501   1.477
   82    HA   ASN   9           HA       ASN   9   8.526  -6.218   2.841
   83   1HB   ASN   9          HB2       ASN   9   6.835  -6.320   0.493
   84   2HB   ASN   9          HB1       ASN   9   8.513  -6.564   0.012
   85   1HD2  ASN   9          HD21      ASN   9   5.965  -8.410   0.603
   86   2HD2  ASN   9          HD22      ASN   9   6.665  -9.700   1.457
   87    H    GLY  10           HN       GLY  10   9.185  -3.550   3.010
   88   1HA   GLY  10          HA2       GLY  10  11.229  -3.125   0.878
   89   2HA   GLY  10          HA1       GLY  10  10.520  -1.833   1.850
   90    H    LYS  11           HN       LYS  11  13.339  -2.373   1.560
   91    HA   LYS  11           HA       LYS  11  14.337  -3.721   3.938
   92   1HB   LYS  11          HB2       LYS  11  15.539  -3.406   1.754
   93   2HB   LYS  11          HB1       LYS  11  15.652  -1.682   2.113
   94   1HG   LYS  11          HG2       LYS  11  17.030  -2.070   4.024
   95   2HG   LYS  11          HG1       LYS  11  16.689  -3.801   4.005
   96   1HD   LYS  11          HD2       LYS  11  17.911  -2.597   1.558
   97   2HD   LYS  11          HD1       LYS  11  18.945  -2.824   2.968
   98   1HE   LYS  11          HE2       LYS  11  18.771  -5.144   2.894
   99   2HE   LYS  11          HE1       LYS  11  17.186  -5.099   2.094
  100   1HZ   LYS  11          HZ1       LYS  11  18.173  -4.343   0.090
  101   2HZ   LYS  11          HZ2       LYS  11  19.088  -5.682   0.597
  102   3HZ   LYS  11          HZ3       LYS  11  19.681  -4.107   0.830
  103    H    THR  12           HN       THR  12  12.769  -0.723   3.517
  104    HA   THR  12           HA       THR  12  14.277   0.659   5.664
  105    HB   THR  12           HB       THR  12  11.870   1.502   4.019
  106    HG1  THR  12           HG1      THR  12  13.276   2.242   2.558
  107   1HG2  THR  12          HG21      THR  12  12.445   3.739   4.674
  108   2HG2  THR  12          HG22      THR  12  13.953   3.197   5.411
  109   3HG2  THR  12          HG23      THR  12  12.408   2.768   6.147
  110    H    LEU  13           HN       LEU  13  11.153  -0.910   5.057
  111    HA   LEU  13           HA       LEU  13  10.612  -0.834   7.988
  112   1HB   LEU  13          HB2       LEU  13   9.367   0.821   5.965
  113   2HB   LEU  13          HB1       LEU  13   8.158  -0.243   6.681
  114    HG   LEU  13           HG       LEU  13  10.096   1.309   8.397
  115   1HD1  LEU  13          HD11      LEU  13   7.415   2.190   7.291
  116   2HD1  LEU  13          HD12      LEU  13   8.971   2.992   7.076
  117   3HD1  LEU  13          HD13      LEU  13   8.206   2.962   8.665
  118   1HD2  LEU  13          HD21      LEU  13   7.444  -0.091   8.786
  119   2HD2  LEU  13          HD22      LEU  13   8.066   1.065   9.964
  120   3HD2  LEU  13          HD23      LEU  13   8.973  -0.405   9.607
  121    H    LYS  14           HN       LYS  14   8.784  -2.319   8.559
  122    HA   LYS  14           HA       LYS  14   8.152  -4.389   6.508
  123   1HB   LYS  14          HB2       LYS  14   9.825  -4.618   8.967
  124   2HB   LYS  14          HB1       LYS  14   8.749  -5.968   8.603
  125   1HG   LYS  14          HG2       LYS  14   9.713  -6.163   6.356
  126   2HG   LYS  14          HG1       LYS  14  10.759  -4.777   6.669
  127   1HD   LYS  14          HD2       LYS  14  10.799  -7.200   8.466
  128   2HD   LYS  14          HD1       LYS  14  11.776  -7.132   6.999
  129   1HE   LYS  14          HE2       LYS  14  12.936  -5.147   7.786
  130   2HE   LYS  14          HE1       LYS  14  11.861  -5.032   9.194
  131   1HZ   LYS  14          HZ1       LYS  14  13.501  -7.426   8.572
  132   2HZ   LYS  14          HZ2       LYS  14  12.618  -7.122   9.991
  133   3HZ   LYS  14          HZ3       LYS  14  14.004  -6.206   9.636
  134    H    GLY  15           HN       GLY  15   6.102  -5.274   6.818
  135   1HA   GLY  15          HA2       GLY  15   4.474  -5.975   8.703
  136   2HA   GLY  15          HA1       GLY  15   4.571  -4.279   9.179
  137    H    GLU  16           HN       GLU  16   2.416  -3.741   8.736
  138    HA   GLU  16           HA       GLU  16   1.718  -3.572   5.840
  139   1HB   GLU  16          HB2       GLU  16   0.040  -4.782   8.062
  140   2HB   GLU  16          HB1       GLU  16  -0.549  -4.466   6.429
  141   1HG   GLU  16          HG2       GLU  16   1.294  -5.925   5.548
  142   2HG   GLU  16          HG1       GLU  16   1.702  -6.337   7.214
  143    H    THR  17           HN       THR  17  -0.085  -2.018   5.483
  144    HA   THR  17           HA       THR  17  -0.551  -0.122   7.751
  145    HB   THR  17           HB       THR  17   0.069   0.778   4.935
  146    HG1  THR  17           HG1      THR  17   2.053   0.233   5.248
  147   1HG2  THR  17          HG21      THR  17  -0.718   2.613   6.098
  148   2HG2  THR  17          HG22      THR  17   0.994   2.709   6.510
  149   3HG2  THR  17          HG23      THR  17  -0.149   2.003   7.652
  150    H    THR  18           HN       THR  18  -2.621   0.813   7.713
  151    HA   THR  18           HA       THR  18  -4.404   0.059   5.418
  152    HB   THR  18           HB       THR  18  -6.160  -0.216   7.205
  153    HG1  THR  18           HG1      THR  18  -5.644   0.548   9.072
  154   1HG2  THR  18          HG21      THR  18  -4.989  -2.298   8.239
  155   2HG2  THR  18          HG22      THR  18  -3.651  -1.877   7.170
  156   3HG2  THR  18          HG23      THR  18  -5.236  -2.252   6.493
  157    H    THR  19           HN       THR  19  -6.106   1.593   4.972
  158    HA   THR  19           HA       THR  19  -6.242   4.116   6.483
  159    HB   THR  19           HB       THR  19  -4.239   4.386   5.067
  160    HG1  THR  19           HG1      THR  19  -5.590   6.185   5.373
  161   1HG2  THR  19          HG21      THR  19  -5.461   2.764   3.282
  162   2HG2  THR  19          HG22      THR  19  -4.149   3.857   2.842
  163   3HG2  THR  19          HG23      THR  19  -5.824   4.329   2.556
  164    H    GLU  20           HN       GLU  20  -8.057   5.437   5.766
  165    HA   GLU  20           HA       GLU  20 -10.219   3.859   4.529
  166   1HB   GLU  20          HB2       GLU  20 -10.260   5.440   6.597
  167   2HB   GLU  20          HB1       GLU  20 -10.315   6.744   5.410
  168   1HG   GLU  20          HG2       GLU  20 -12.593   6.235   5.936
  169   2HG   GLU  20          HG1       GLU  20 -12.287   5.524   4.351
  170    H    ALA  21           HN       ALA  21 -10.626   3.960   2.357
  171    HA   ALA  21           HA       ALA  21 -10.175   6.517   0.898
  172   1HB   ALA  21          HB1       ALA  21  -8.629   5.577  -0.590
  173   2HB   ALA  21          HB2       ALA  21  -9.160   3.929  -0.251
  174   3HB   ALA  21          HB3       ALA  21  -8.176   4.799   0.926
  175    H    VAL  22           HN       VAL  22 -11.589   6.753  -0.865
  176    HA   VAL  22           HA       VAL  22 -14.037   5.300  -0.906
  177    HB   VAL  22           HB       VAL  22 -13.699   7.584  -1.778
  178   1HG1  VAL  22          HG11      VAL  22 -12.343   8.100  -3.602
  179   2HG1  VAL  22          HG12      VAL  22 -12.403   6.458  -4.241
  180   3HG1  VAL  22          HG13      VAL  22 -11.406   6.820  -2.834
  181   1HG2  VAL  22          HG21      VAL  22 -15.638   6.497  -2.650
  182   2HG2  VAL  22          HG22      VAL  22 -14.677   5.498  -3.740
  183   3HG2  VAL  22          HG23      VAL  22 -14.841   7.227  -4.043
  184    H    ASP  23           HN       ASP  23 -11.049   4.862  -2.775
  185    HA   ASP  23           HA       ASP  23 -11.655   2.084  -3.333
  186   1HB   ASP  23          HB2       ASP  23 -11.899   2.392  -5.809
  187   2HB   ASP  23          HB1       ASP  23 -13.222   3.110  -4.894
  188    H    ALA  24           HN       ALA  24 -10.075   1.595  -5.502
  189    HA   ALA  24           HA       ALA  24  -7.438   1.687  -4.529
  190   1HB   ALA  24          HB1       ALA  24  -8.724   0.405  -6.491
  191   2HB   ALA  24          HB2       ALA  24  -6.967   0.549  -6.484
  192   3HB   ALA  24          HB3       ALA  24  -7.937   1.642  -7.471
  193    H    ALA  25           HN       ALA  25  -9.140   3.988  -6.623
  194    HA   ALA  25           HA       ALA  25  -6.980   5.506  -7.627
  195   1HB   ALA  25          HB1       ALA  25  -8.646   7.037  -8.181
  196   2HB   ALA  25          HB2       ALA  25  -9.485   6.833  -6.643
  197   3HB   ALA  25          HB3       ALA  25  -9.615   5.593  -7.890
  198    H    THR  26           HN       THR  26  -8.757   5.994  -4.551
  199    HA   THR  26           HA       THR  26  -6.875   8.094  -3.691
  200    HB   THR  26           HB       THR  26  -9.105   6.697  -2.181
  201    HG1  THR  26           HG1      THR  26  -9.232   9.031  -3.782
  202   1HG2  THR  26          HG21      THR  26  -7.547   8.128  -0.865
  203   2HG2  THR  26          HG22      THR  26  -9.187   8.775  -0.906
  204   3HG2  THR  26          HG23      THR  26  -7.936   9.481  -1.928
  205    H    ALA  27           HN       ALA  27  -7.416   4.660  -3.154
  206    HA   ALA  27           HA       ALA  27  -5.980   4.287  -0.718
  207   1HB   ALA  27          HB1       ALA  27  -7.441   2.727  -2.285
  208   2HB   ALA  27          HB2       ALA  27  -6.190   2.025  -1.259
  209   3HB   ALA  27          HB3       ALA  27  -5.873   2.304  -2.971
  210    H    GLU  28           HN       GLU  28  -4.780   3.644  -4.036
  211    HA   GLU  28           HA       GLU  28  -2.029   3.342  -3.339
  212   1HB   GLU  28          HB2       GLU  28  -3.328   2.781  -5.494
  213   2HB   GLU  28          HB1       GLU  28  -3.088   4.472  -5.939
  214   1HG   GLU  28          HG2       GLU  28  -0.574   3.977  -5.345
  215   2HG   GLU  28          HG1       GLU  28  -1.044   2.297  -5.604
  216    H    LYS  29           HN       LYS  29  -3.885   6.245  -4.266
  217    HA   LYS  29           HA       LYS  29  -1.765   8.098  -4.556
  218   1HB   LYS  29          HB2       LYS  29  -4.342   8.257  -4.890
  219   2HB   LYS  29          HB1       LYS  29  -4.372   8.759  -3.200
  220   1HG   LYS  29          HG2       LYS  29  -2.882  10.618  -3.671
  221   2HG   LYS  29          HG1       LYS  29  -2.666  10.071  -5.335
  222   1HD   LYS  29          HD2       LYS  29  -5.371  10.234  -5.250
  223   2HD   LYS  29          HD1       LYS  29  -4.955  11.501  -4.096
  224   1HE   LYS  29          HE2       LYS  29  -4.083  12.862  -5.717
  225   2HE   LYS  29          HE1       LYS  29  -3.354  11.503  -6.596
  226   1HZ   LYS  29          HZ1       LYS  29  -5.649  10.819  -7.209
  227   2HZ   LYS  29          HZ2       LYS  29  -5.176  12.303  -7.888
  228   3HZ   LYS  29          HZ3       LYS  29  -6.222  12.273  -6.550
  229    H    VAL  30           HN       VAL  30  -3.442   7.035  -1.597
  230    HA   VAL  30           HA       VAL  30  -1.867   8.804   0.138
  231    HB   VAL  30           HB       VAL  30  -3.781   6.500   0.660
  232   1HG1  VAL  30          HG11      VAL  30  -2.475   6.798   2.643
  233   2HG1  VAL  30          HG12      VAL  30  -3.985   7.667   2.923
  234   3HG1  VAL  30          HG13      VAL  30  -2.523   8.555   2.492
  235   1HG2  VAL  30          HG21      VAL  30  -4.560   8.652  -0.568
  236   2HG2  VAL  30          HG22      VAL  30  -4.332   9.449   0.989
  237   3HG2  VAL  30          HG23      VAL  30  -5.487   8.125   0.837
  238    H    PHE  31           HN       PHE  31  -2.062   5.272  -0.440
  239    HA   PHE  31           HA       PHE  31   0.050   4.544   1.359
  240   1HB   PHE  31          HB2       PHE  31  -1.369   3.326  -0.990
  241   2HB   PHE  31          HB1       PHE  31   0.050   2.509  -0.338
  242    HD1  PHE  31           HD1      PHE  31  -3.282   2.209  -0.260
  243    HD2  PHE  31           HD2      PHE  31  -0.092   2.927   2.527
  244    HE1  PHE  31           HE1      PHE  31  -4.667   1.272   1.570
  245    HE2  PHE  31           HE2      PHE  31  -1.478   1.989   4.356
  246    HZ   PHE  31           HZ       PHE  31  -3.766   1.161   3.877
  247    H    LYS  32           HN       LYS  32   0.051   5.499  -2.059
  248    HA   LYS  32           HA       LYS  32   2.772   4.804  -2.655
  249   1HB   LYS  32          HB2       LYS  32   1.022   5.362  -4.321
  250   2HB   LYS  32          HB1       LYS  32   0.989   7.025  -3.732
  251   1HG   LYS  32          HG2       LYS  32   3.654   5.953  -4.503
  252   2HG   LYS  32          HG1       LYS  32   2.517   6.243  -5.820
  253   1HD   LYS  32          HD2       LYS  32   2.183   8.523  -4.358
  254   2HD   LYS  32          HD1       LYS  32   3.885   8.180  -4.048
  255   1HE   LYS  32          HE2       LYS  32   4.076   9.397  -6.027
  256   2HE   LYS  32          HE1       LYS  32   3.888   7.766  -6.702
  257   1HZ   LYS  32          HZ1       LYS  32   1.558   8.082  -6.917
  258   2HZ   LYS  32          HZ2       LYS  32   2.297   9.446  -7.610
  259   3HZ   LYS  32          HZ3       LYS  32   1.601   9.547  -6.063
  260    H    GLN  33           HN       GLN  33   1.274   7.812  -1.432
  261    HA   GLN  33           HA       GLN  33   3.638   9.408  -1.301
  262   1HB   GLN  33          HB2       GLN  33   1.290  10.210  -1.091
  263   2HB   GLN  33          HB1       GLN  33   1.176   9.401   0.473
  264   1HG   GLN  33          HG2       GLN  33   1.751  11.550   1.145
  265   2HG   GLN  33          HG1       GLN  33   3.348  10.814   1.006
  266   1HE2  GLN  33          HE21      GLN  33   4.749  11.566  -0.678
  267   2HE2  GLN  33          HE22      GLN  33   4.340  12.849  -1.712
  268    H    TYR  34           HN       TYR  34   2.299   7.001   0.829
  269    HA   TYR  34           HA       TYR  34   4.011   7.475   3.115
  270   1HB   TYR  34          HB2       TYR  34   2.098   6.263   3.631
  271   2HB   TYR  34          HB1       TYR  34   2.090   5.417   2.089
  272    HD1  TYR  34           HD1      TYR  34   3.686   5.564   5.432
  273    HD2  TYR  34           HD2      TYR  34   3.109   3.267   1.857
  274    HE1  TYR  34           HE1      TYR  34   4.712   3.588   6.538
  275    HE2  TYR  34           HE2      TYR  34   4.132   1.290   2.950
  276    HH   TYR  34           HH       TYR  34   5.859   0.989   4.952
  277    H    ALA  35           HN       ALA  35   4.066   4.952   0.573
  278    HA   ALA  35           HA       ALA  35   6.642   3.882   1.264
  279   1HB   ALA  35          HB1       ALA  35   6.304   3.260  -1.359
  280   2HB   ALA  35          HB2       ALA  35   4.657   3.739  -0.944
  281   3HB   ALA  35          HB3       ALA  35   5.447   2.431  -0.058
  282    H    ASN  36           HN       ASN  36   5.635   6.272  -1.197
  283    HA   ASN  36           HA       ASN  36   8.113   6.718  -2.457
  284   1HB   ASN  36          HB2       ASN  36   5.776   7.570  -3.026
  285   2HB   ASN  36          HB1       ASN  36   6.039   8.827  -1.816
  286   1HD2  ASN  36          HD21      ASN  36   7.622   7.438  -4.746
  287   2HD2  ASN  36          HD22      ASN  36   8.283   8.912  -5.266
  288    H    ASP  37           HN       ASP  37   6.877   7.943   0.612
  289    HA   ASP  37           HA       ASP  37   8.912   9.961   1.035
  290   1HB   ASP  37          HB2       ASP  37   6.593   9.645   2.118
  291   2HB   ASP  37          HB1       ASP  37   7.367   8.436   3.143
  292    H    ASN  38           HN       ASN  38   8.475   6.673   2.399
  293    HA   ASN  38           HA       ASN  38  11.044   6.599   3.721
  294   1HB   ASN  38          HB2       ASN  38   8.788   4.781   3.064
  295   2HB   ASN  38          HB1       ASN  38  10.337   3.994   3.366
  296   1HD2  ASN  38          HD21      ASN  38   7.593   5.287   4.912
  297   2HD2  ASN  38          HD22      ASN  38   8.231   5.403   6.481
  298    H    GLY  39           HN       GLY  39   9.863   5.382   0.585
  299   1HA   GLY  39          HA2       GLY  39  11.460   5.557  -1.334
  300   2HA   GLY  39          HA1       GLY  39  12.716   4.996  -0.231
  301    H    ILE  40           HN       ILE  40   9.390   3.770  -0.680
  302    HA   ILE  40           HA       ILE  40  10.528   1.045  -1.017
  303    HB   ILE  40           HB       ILE  40   7.725   2.102  -0.521
  304   1HG1  ILE  40          HG12      ILE  40   9.689   0.648   1.282
  305   2HG1  ILE  40          HG11      ILE  40   9.368   2.381   1.335
  306   1HG2  ILE  40          HG21      ILE  40   7.506  -0.462   0.167
  307   2HG2  ILE  40          HG22      ILE  40   8.805  -0.656  -1.008
  308   3HG2  ILE  40          HG23      ILE  40   7.258   0.038  -1.509
  309   1HD1  ILE  40          HD11      ILE  40   8.049   0.546   2.861
  310   2HD1  ILE  40          HD12      ILE  40   6.962   0.662   1.475
  311   3HD1  ILE  40          HD13      ILE  40   7.370   2.107   2.400
  312    H    ASP  41           HN       ASP  41  11.191   2.143  -3.277
  313    HA   ASP  41           HA       ASP  41   9.034   2.173  -5.283
  314   1HB   ASP  41          HB2       ASP  41  11.462   3.404  -4.980
  315   2HB   ASP  41          HB1       ASP  41  11.887   2.100  -6.089
  316    H    GLY  42           HN       GLY  42   8.792  -0.257  -4.249
  317   1HA   GLY  42          HA2       GLY  42  10.549  -2.209  -5.576
  318   2HA   GLY  42          HA1       GLY  42   9.221  -2.577  -4.471
  319    H    GLU  43           HN       GLU  43   8.012  -3.962  -5.670
  320    HA   GLU  43           HA       GLU  43   7.026  -3.013  -8.297
  321   1HB   GLU  43          HB2       GLU  43   6.820  -5.445  -8.850
  322   2HB   GLU  43          HB1       GLU  43   8.480  -4.972  -8.499
  323   1HG   GLU  43          HG2       GLU  43   7.246  -5.714  -6.022
  324   2HG   GLU  43          HG1       GLU  43   6.887  -6.973  -7.199
  325    H    TRP  44           HN       TRP  44   5.116  -2.090  -7.669
  326    HA   TRP  44           HA       TRP  44   3.463  -3.051  -5.559
  327   1HB   TRP  44          HB2       TRP  44   3.111  -1.126  -7.846
  328   2HB   TRP  44          HB1       TRP  44   1.839  -1.408  -6.652
  329    HD1  TRP  44           HD1      TRP  44   5.560  -0.382  -6.788
  330    HE1  TRP  44           HE1      TRP  44   6.048   1.121  -4.749
  331    HE3  TRP  44           HE3      TRP  44   1.032  -0.585  -4.434
  332    HZ2  TRP  44           HZ2      TRP  44   4.697   2.092  -2.431
  333    HZ3  TRP  44           HZ3      TRP  44   0.663   0.639  -2.311
  334    HH2  TRP  44           HH2      TRP  44   2.489   1.984  -1.311
  335    H    THR  45           HN       THR  45   1.647  -4.249  -5.558
  336    HA   THR  45           HA       THR  45   0.441  -5.242  -8.067
  337    HB   THR  45           HB       THR  45   0.619  -7.598  -6.932
  338    HG1  THR  45           HG1      THR  45   2.531  -7.759  -5.684
  339   1HG2  THR  45          HG21      THR  45   3.035  -6.242  -8.159
  340   2HG2  THR  45          HG22      THR  45   1.717  -7.009  -9.045
  341   3HG2  THR  45          HG23      THR  45   2.795  -7.985  -8.046
  342    H    TYR  46           HN       TYR  46  -1.744  -5.317  -7.742
  343    HA   TYR  46           HA       TYR  46  -2.735  -4.978  -4.945
  344   1HB   TYR  46          HB2       TYR  46  -3.298  -3.162  -6.383
  345   2HB   TYR  46          HB1       TYR  46  -3.690  -4.232  -7.722
  346    HD1  TYR  46           HD1      TYR  46  -4.903  -2.744  -4.577
  347    HD2  TYR  46           HD2      TYR  46  -5.821  -5.441  -7.792
  348    HE1  TYR  46           HE1      TYR  46  -7.286  -2.709  -3.923
  349    HE2  TYR  46           HE2      TYR  46  -8.209  -5.412  -7.132
  350    HH   TYR  46           HH       TYR  46  -9.547  -4.948  -5.096
  351    H    ASP  47           HN       ASP  47  -4.064  -6.535  -4.064
  352    HA   ASP  47           HA       ASP  47  -4.791  -8.887  -5.766
  353   1HB   ASP  47          HB2       ASP  47  -4.122  -8.397  -2.880
  354   2HB   ASP  47          HB1       ASP  47  -5.121  -9.791  -3.294
  355    H    ASP  48           HN       ASP  48  -6.871  -8.635  -6.508
  356    HA   ASP  48           HA       ASP  48  -8.890  -7.021  -5.244
  357   1HB   ASP  48          HB2       ASP  48 -10.337  -8.096  -6.956
  358   2HB   ASP  48          HB1       ASP  48  -8.802  -7.567  -7.643
  359    H    ALA  49           HN       ALA  49  -7.916 -10.362  -4.821
  360    HA   ALA  49           HA       ALA  49 -10.212 -11.587  -3.795
  361   1HB   ALA  49          HB1       ALA  49  -8.503 -12.914  -2.449
  362   2HB   ALA  49          HB2       ALA  49  -7.287 -11.786  -3.046
  363   3HB   ALA  49          HB3       ALA  49  -8.177 -12.803  -4.178
  364    H    THR  50           HN       THR  50  -7.960  -9.393  -2.137
  365    HA   THR  50           HA       THR  50  -9.995  -8.992   0.001
  366    HB   THR  50           HB       THR  50  -8.216  -9.339   1.707
  367    HG1  THR  50           HG1      THR  50  -6.227  -9.942   1.100
  368   1HG2  THR  50          HG21      THR  50  -8.383 -11.714  -0.158
  369   2HG2  THR  50          HG22      THR  50  -9.718 -11.208   0.876
  370   3HG2  THR  50          HG23      THR  50  -8.197 -11.735   1.596
  371    H    LYS  51           HN       LYS  51  -8.426  -7.460  -2.303
  372    HA   LYS  51           HA       LYS  51  -7.556  -5.287  -2.619
  373   1HB   LYS  51          HB2       LYS  51  -9.733  -5.309  -0.718
  374   2HB   LYS  51          HB1       LYS  51  -8.603  -4.027  -0.287
  375   1HG   LYS  51          HG2       LYS  51  -9.764  -2.833  -1.845
  376   2HG   LYS  51          HG1       LYS  51  -8.715  -3.683  -2.982
  377   1HD   LYS  51          HD2       LYS  51 -10.998  -3.942  -3.745
  378   2HD   LYS  51          HD1       LYS  51 -10.461  -5.498  -3.112
  379   1HE   LYS  51          HE2       LYS  51 -11.847  -5.376  -1.258
  380   2HE   LYS  51          HE1       LYS  51 -11.805  -3.602  -1.217
  381   1HZ   LYS  51          HZ1       LYS  51 -13.145  -3.496  -3.167
  382   2HZ   LYS  51          HZ2       LYS  51 -13.929  -4.540  -2.080
  383   3HZ   LYS  51          HZ3       LYS  51 -13.065  -5.174  -3.398
  384    H    THR  52           HN       THR  52  -5.301  -5.706  -2.234
  385    HA   THR  52           HA       THR  52  -4.269  -4.518   0.272
  386    HB   THR  52           HB       THR  52  -3.706  -7.377  -0.578
  387    HG1  THR  52           HG1      THR  52  -4.962  -7.926   1.137
  388   1HG2  THR  52          HG21      THR  52  -2.093  -7.483   1.029
  389   2HG2  THR  52          HG22      THR  52  -2.956  -6.389   2.110
  390   3HG2  THR  52          HG23      THR  52  -2.007  -5.741   0.772
  391    H    PHE  53           HN       PHE  53  -3.012  -2.985  -0.823
  392    HA   PHE  53           HA       PHE  53  -1.566  -3.417  -3.266
  393   1HB   PHE  53          HB2       PHE  53  -1.238  -1.501  -0.935
  394   2HB   PHE  53          HB1       PHE  53  -0.309  -1.363  -2.426
  395    HD1  PHE  53           HD1      PHE  53  -1.363  -0.705  -4.512
  396    HD2  PHE  53           HD2      PHE  53  -3.646  -1.093  -0.901
  397    HE1  PHE  53           HE1      PHE  53  -3.250   0.503  -5.580
  398    HE2  PHE  53           HE2      PHE  53  -5.538   0.114  -1.962
  399    HZ   PHE  53           HZ       PHE  53  -5.338   0.913  -4.304
  400    H    THR  54           HN       THR  54   0.395  -4.467  -3.592
  401    HA   THR  54           HA       THR  54   1.981  -5.167  -1.131
  402    HB   THR  54           HB       THR  54   1.437  -6.812  -3.618
  403    HG1  THR  54           HG1      THR  54  -0.316  -7.250  -2.584
  404   1HG2  THR  54          HG21      THR  54   2.430  -8.100  -1.159
  405   2HG2  THR  54          HG22      THR  54   3.593  -7.030  -1.942
  406   3HG2  THR  54          HG23      THR  54   2.890  -8.376  -2.839
  407    H    VAL  55           HN       VAL  55   3.792  -3.798  -1.329
  408    HA   VAL  55           HA       VAL  55   5.202  -3.766  -3.930
  409    HB   VAL  55           HB       VAL  55   4.496  -1.567  -2.923
  410   1HG1  VAL  55          HG11      VAL  55   5.519  -0.737  -0.938
  411   2HG1  VAL  55          HG12      VAL  55   6.622  -2.122  -0.867
  412   3HG1  VAL  55          HG13      VAL  55   4.902  -2.346  -0.538
  413   1HG2  VAL  55          HG21      VAL  55   7.496  -1.896  -2.975
  414   2HG2  VAL  55          HG22      VAL  55   6.566  -0.455  -3.385
  415   3HG2  VAL  55          HG23      VAL  55   6.504  -1.871  -4.434
  416    H    THR  56           HN       THR  56   7.650  -3.766  -3.693
  417    HA   THR  56           HA       THR  56   8.800  -4.988  -1.285
  418    HB   THR  56           HB       THR  56   8.444  -6.477  -3.903
  419    HG1  THR  56           HG1      THR  56   6.855  -7.423  -2.931
  420   1HG2  THR  56          HG21      THR  56  10.547  -6.730  -2.073
  421   2HG2  THR  56          HG22      THR  56  10.071  -7.919  -3.286
  422   3HG2  THR  56          HG23      THR  56   9.436  -8.031  -1.645
  423    H    GLU  57           HN       GLU  57  10.737  -3.865  -1.208
  424    HA   GLU  57           HA       GLU  57  12.016  -2.857  -3.661
  425   1HB   GLU  57          HB2       GLU  57  12.269  -2.582  -0.708
  426   2HB   GLU  57          HB1       GLU  57  13.729  -2.286  -1.650
  427   1HG   GLU  57          HG2       GLU  57  11.929  -0.897  -3.129
  428   2HG   GLU  57          HG1       GLU  57  11.207  -0.731  -1.529
  Start of MODEL   34
    1   1H    MET   1          HT1       MET   1  17.670  -1.199   4.456
    2   2H    MET   1          HT2       MET   1  16.749   0.224   4.572
    3   3H    MET   1          HT3       MET   1  17.713  -0.058   3.201
    4    HA   MET   1           HA       MET   1  16.322  -1.904   2.533
    5   1HB   MET   1          HB2       MET   1  15.204  -1.285   5.263
    6   2HB   MET   1          HB1       MET   1  14.222  -2.141   4.073
    7   1HG   MET   1          HG2       MET   1  16.202  -3.739   3.802
    8   2HG   MET   1          HG1       MET   1  16.870  -2.996   5.255
    9   1HE   MET   1          HE1       MET   1  16.865  -4.722   7.027
   10   2HE   MET   1          HE2       MET   1  16.758  -5.767   5.613
   11   3HE   MET   1          HE3       MET   1  15.754  -6.098   7.023
   12    H    THR   2           HN       THR   2  13.675  -1.544   2.188
   13    HA   THR   2           HA       THR   2  13.378   1.344   1.418
   14    HB   THR   2           HB       THR   2  12.335  -1.164   0.062
   15    HG1  THR   2           HG1      THR   2  14.501  -1.079  -0.259
   16   1HG2  THR   2          HG21      THR   2  12.285   1.767  -0.694
   17   2HG2  THR   2          HG22      THR   2  10.898   0.720  -0.394
   18   3HG2  THR   2          HG23      THR   2  11.908   0.459  -1.817
   19    H    THR   3           HN       THR   3  11.871   2.218   2.800
   20    HA   THR   3           HA       THR   3   9.699   0.564   3.876
   21    HB   THR   3           HB       THR   3  10.445   3.449   4.401
   22    HG1  THR   3           HG1      THR   3  12.193   2.140   4.864
   23   1HG2  THR   3          HG21      THR   3   9.047   1.477   6.214
   24   2HG2  THR   3          HG22      THR   3   8.169   2.556   5.130
   25   3HG2  THR   3          HG23      THR   3   9.180   3.224   6.411
   26    H    PHE   4           HN       PHE   4   8.285   0.358   2.046
   27    HA   PHE   4           HA       PHE   4   7.449   2.619   0.429
   28   1HB   PHE   4          HB2       PHE   4   6.311  -0.150   0.931
   29   2HB   PHE   4          HB1       PHE   4   5.733   0.934  -0.331
   30    HD1  PHE   4           HD1      PHE   4   8.422  -1.296   0.747
   31    HD2  PHE   4           HD2      PHE   4   7.212   1.559  -2.225
   32    HE1  PHE   4           HE1      PHE   4  10.241  -2.080  -0.745
   33    HE2  PHE   4           HE2      PHE   4   9.032   0.776  -3.717
   34    HZ   PHE   4           HZ       PHE   4  10.544  -1.044  -2.977
   35    H    LYS   5           HN       LYS   5   5.037   3.237   0.351
   36    HA   LYS   5           HA       LYS   5   3.786   3.247   3.076
   37   1HB   LYS   5          HB2       LYS   5   4.791   5.452   1.365
   38   2HB   LYS   5          HB1       LYS   5   3.212   5.729   2.101
   39   1HG   LYS   5          HG2       LYS   5   4.086   5.389   4.310
   40   2HG   LYS   5          HG1       LYS   5   5.616   4.784   3.678
   41   1HD   LYS   5          HD2       LYS   5   6.454   6.869   3.480
   42   2HD   LYS   5          HD1       LYS   5   5.028   7.426   2.605
   43   1HE   LYS   5          HE2       LYS   5   4.022   7.214   5.147
   44   2HE   LYS   5          HE1       LYS   5   5.694   7.714   5.470
   45   1HZ   LYS   5          HZ1       LYS   5   5.483   9.538   3.998
   46   2HZ   LYS   5          HZ2       LYS   5   4.105   9.580   4.992
   47   3HZ   LYS   5          HZ3       LYS   5   3.992   8.991   3.402
   48    H    LEU   6           HN       LEU   6   1.829   2.228   2.758
   49    HA   LEU   6           HA       LEU   6   0.436   2.447   0.149
   50   1HB   LEU   6          HB2       LEU   6   0.882   0.390   1.792
   51   2HB   LEU   6          HB1       LEU   6  -0.601   0.963   2.532
   52    HG   LEU   6           HG       LEU   6  -0.179  -0.417  -0.065
   53   1HD1  LEU   6          HD11      LEU   6  -2.106  -0.339   2.195
   54   2HD1  LEU   6          HD12      LEU   6  -1.444  -1.720   1.321
   55   3HD1  LEU   6          HD13      LEU   6  -2.768  -0.789   0.624
   56   1HD2  LEU   6          HD21      LEU   6  -2.110   1.912   0.188
   57   2HD2  LEU   6          HD22      LEU   6  -2.365   0.598  -0.962
   58   3HD2  LEU   6          HD23      LEU   6  -0.930   1.615  -1.089
   59    H    ILE   7           HN       ILE   7  -0.860   4.265  -0.039
   60    HA   ILE   7           HA       ILE   7  -1.947   5.727   2.183
   61    HB   ILE   7           HB       ILE   7  -1.535   6.234  -0.418
   62   1HG1  ILE   7          HG12      ILE   7  -3.193   8.153  -0.160
   63   2HG1  ILE   7          HG11      ILE   7  -3.643   7.430   1.383
   64   1HG2  ILE   7          HG21      ILE   7  -3.602   4.593  -0.838
   65   2HG2  ILE   7          HG22      ILE   7  -3.315   6.004  -1.855
   66   3HG2  ILE   7          HG23      ILE   7  -4.510   6.079  -0.562
   67   1HD1  ILE   7          HD11      ILE   7  -1.500   7.767   2.305
   68   2HD1  ILE   7          HD12      ILE   7  -1.791   9.247   1.391
   69   3HD1  ILE   7          HD13      ILE   7  -0.756   7.986   0.721
   70    H    ILE   8           HN       ILE   8  -4.472   5.954   2.423
   71    HA   ILE   8           HA       ILE   8  -5.759   3.269   2.095
   72    HB   ILE   8           HB       ILE   8  -5.751   5.073   4.540
   73   1HG1  ILE   8          HG12      ILE   8  -4.544   2.318   4.132
   74   2HG1  ILE   8          HG11      ILE   8  -3.620   3.821   4.087
   75   1HG2  ILE   8          HG21      ILE   8  -7.176   2.504   3.860
   76   2HG2  ILE   8          HG22      ILE   8  -7.838   3.976   4.568
   77   3HG2  ILE   8          HG23      ILE   8  -6.809   2.919   5.534
   78   1HD1  ILE   8          HD11      ILE   8  -4.915   2.460   6.416
   79   2HD1  ILE   8          HD12      ILE   8  -4.816   4.221   6.428
   80   3HD1  ILE   8          HD13      ILE   8  -3.344   3.256   6.315
   81    H    ASN   9           HN       ASN   9  -6.689   4.574   0.192
   82    HA   ASN   9           HA       ASN   9  -8.781   6.529   1.008
   83   1HB   ASN   9          HB2       ASN   9  -7.111   5.973  -1.321
   84   2HB   ASN   9          HB1       ASN   9  -8.807   6.118  -1.780
   85   1HD2  ASN   9          HD21      ASN   9  -6.491   8.051  -2.202
   86   2HD2  ASN   9          HD22      ASN   9  -7.023   9.513  -1.523
   87    H    GLY  10           HN       GLY  10  -9.251   3.964   1.920
   88   1HA   GLY  10          HA2       GLY  10 -11.232   2.787   0.029
   89   2HA   GLY  10          HA1       GLY  10 -10.507   1.938   1.399
   90    H    LYS  11           HN       LYS  11 -13.330   2.184   0.899
   91    HA   LYS  11           HA       LYS  11 -14.455   4.207   2.668
   92   1HB   LYS  11          HB2       LYS  11 -15.530   3.068   0.665
   93   2HB   LYS  11          HB1       LYS  11 -15.687   1.626   1.669
   94   1HG   LYS  11          HG2       LYS  11 -17.154   2.709   3.188
   95   2HG   LYS  11          HG1       LYS  11 -16.739   4.309   2.572
   96   1HD   LYS  11          HD2       LYS  11 -18.782   3.953   1.517
   97   2HD   LYS  11          HD1       LYS  11 -17.665   3.337   0.298
   98   1HE   LYS  11          HE2       LYS  11 -19.001   1.470   0.402
   99   2HE   LYS  11          HE1       LYS  11 -18.036   1.101   1.845
  100   1HZ   LYS  11          HZ1       LYS  11 -19.602   2.236   3.217
  101   2HZ   LYS  11          HZ2       LYS  11 -20.475   1.140   2.256
  102   3HZ   LYS  11          HZ3       LYS  11 -20.474   2.796   1.874
  103    H    THR  12           HN       THR  12 -12.755   1.320   3.295
  104    HA   THR  12           HA       THR  12 -14.294   0.635   5.734
  105    HB   THR  12           HB       THR  12 -11.730  -0.571   4.669
  106    HG1  THR  12           HG1      THR  12 -12.832  -1.386   3.096
  107   1HG2  THR  12          HG21      THR  12 -13.949  -2.093   5.964
  108   2HG2  THR  12          HG22      THR  12 -12.934  -1.078   6.990
  109   3HG2  THR  12          HG23      THR  12 -12.208  -2.370   6.033
  110    H    LEU  13           HN       LEU  13 -11.169   2.023   4.749
  111    HA   LEU  13           HA       LEU  13 -10.775   2.910   7.584
  112   1HB   LEU  13          HB2       LEU  13  -9.139   1.099   5.901
  113   2HB   LEU  13          HB1       LEU  13  -8.235   2.332   6.780
  114    HG   LEU  13           HG       LEU  13  -9.903   1.507   8.745
  115   1HD1  LEU  13          HD11      LEU  13  -9.509  -0.823   6.858
  116   2HD1  LEU  13          HD12      LEU  13 -11.019  -0.226   7.545
  117   3HD1  LEU  13          HD13      LEU  13  -9.847  -1.048   8.574
  118   1HD2  LEU  13          HD21      LEU  13  -7.306   1.594   8.529
  119   2HD2  LEU  13          HD22      LEU  13  -7.440  -0.117   8.124
  120   3HD2  LEU  13          HD23      LEU  13  -8.012   0.466   9.687
  121    H    LYS  14           HN       LYS  14  -8.609   4.395   7.473
  122    HA   LYS  14           HA       LYS  14  -8.349   5.973   5.016
  123   1HB   LYS  14          HB2       LYS  14 -10.541   6.561   6.360
  124   2HB   LYS  14          HB1       LYS  14  -9.424   7.429   7.415
  125   1HG   LYS  14          HG2       LYS  14  -8.606   8.754   5.551
  126   2HG   LYS  14          HG1       LYS  14  -9.569   7.811   4.412
  127   1HD   LYS  14          HD2       LYS  14 -10.855   9.282   6.713
  128   2HD   LYS  14          HD1       LYS  14 -10.532  10.083   5.174
  129   1HE   LYS  14          HE2       LYS  14 -11.802   8.210   4.030
  130   2HE   LYS  14          HE1       LYS  14 -12.292   7.656   5.644
  131   1HZ   LYS  14          HZ1       LYS  14 -13.903   9.225   4.726
  132   2HZ   LYS  14          HZ2       LYS  14 -12.686  10.400   4.569
  133   3HZ   LYS  14          HZ3       LYS  14 -13.156   9.859   6.110
  134    H    GLY  15           HN       GLY  15  -6.323   6.917   5.027
  135   1HA   GLY  15          HA2       GLY  15  -4.823   8.336   6.620
  136   2HA   GLY  15          HA1       GLY  15  -4.807   6.863   7.589
  137    H    GLU  16           HN       GLU  16  -2.642   6.305   7.344
  138    HA   GLU  16           HA       GLU  16  -1.814   5.486   4.587
  139   1HB   GLU  16          HB2       GLU  16  -0.941   7.753   5.231
  140   2HB   GLU  16          HB1       GLU  16  -0.118   7.000   6.598
  141   1HG   GLU  16          HG2       GLU  16   1.427   5.926   5.257
  142   2HG   GLU  16          HG1       GLU  16   0.323   5.827   3.885
  143    H    THR  17           HN       THR  17  -0.018   3.890   4.648
  144    HA   THR  17           HA       THR  17   0.293   2.479   7.271
  145    HB   THR  17           HB       THR  17  -0.187   1.096   4.623
  146    HG1  THR  17           HG1      THR  17  -2.216   1.527   4.821
  147   1HG2  THR  17          HG21      THR  17   0.752   0.078   6.925
  148   2HG2  THR  17          HG22      THR  17  -0.310  -0.837   5.854
  149   3HG2  THR  17          HG23      THR  17  -0.976  -0.018   7.268
  150    H    THR  18           HN       THR  18   2.368   1.661   7.588
  151    HA   THR  18           HA       THR  18   4.291   1.831   5.288
  152    HB   THR  18           HB       THR  18   5.923   2.636   7.044
  153    HG1  THR  18           HG1      THR  18   3.563   2.913   8.586
  154   1HG2  THR  18          HG21      THR  18   5.250   4.507   5.939
  155   2HG2  THR  18          HG22      THR  18   4.364   4.842   7.427
  156   3HG2  THR  18          HG23      THR  18   3.542   4.086   6.062
  157    H    THR  19           HN       THR  19   6.159   0.373   5.525
  158    HA   THR  19           HA       THR  19   6.157  -1.658   7.640
  159    HB   THR  19           HB       THR  19   4.321  -2.403   6.171
  160    HG1  THR  19           HG1      THR  19   5.673  -3.980   7.086
  161   1HG2  THR  19          HG21      THR  19   4.521  -2.683   3.864
  162   2HG2  THR  19          HG22      THR  19   6.279  -2.802   3.929
  163   3HG2  THR  19          HG23      THR  19   5.493  -1.236   4.127
  164    H    GLU  20           HN       GLU  20   7.915  -3.356   7.105
  165    HA   GLU  20           HA       GLU  20  10.226  -1.948   5.846
  166   1HB   GLU  20          HB2       GLU  20   9.740  -3.873   8.044
  167   2HB   GLU  20          HB1       GLU  20  11.202  -4.176   7.105
  168   1HG   GLU  20          HG2       GLU  20  12.042  -2.676   8.651
  169   2HG   GLU  20          HG1       GLU  20  11.512  -1.548   7.402
  170    H    ALA  21           HN       ALA  21  10.247  -2.474   3.660
  171    HA   ALA  21           HA       ALA  21  10.238  -5.394   2.969
  172   1HB   ALA  21          HB1       ALA  21   8.832  -4.921   1.109
  173   2HB   ALA  21          HB2       ALA  21   9.138  -3.188   1.219
  174   3HB   ALA  21          HB3       ALA  21   8.137  -3.985   2.433
  175    H    VAL  22           HN       VAL  22  11.887  -6.003   1.579
  176    HA   VAL  22           HA       VAL  22  14.180  -4.359   1.198
  177    HB   VAL  22           HB       VAL  22  14.143  -6.829   1.157
  178   1HG1  VAL  22          HG11      VAL  22  13.046  -6.805  -1.629
  179   2HG1  VAL  22          HG12      VAL  22  11.914  -6.713  -0.282
  180   3HG1  VAL  22          HG13      VAL  22  13.006  -8.089  -0.422
  181   1HG2  VAL  22          HG21      VAL  22  15.786  -7.106  -0.510
  182   2HG2  VAL  22          HG22      VAL  22  15.863  -5.381  -0.151
  183   3HG2  VAL  22          HG23      VAL  22  15.015  -5.944  -1.591
  184    H    ASP  23           HN       ASP  23  11.336  -4.890  -0.842
  185    HA   ASP  23           HA       ASP  23  11.806  -2.450  -2.344
  186   1HB   ASP  23          HB2       ASP  23  12.192  -3.628  -4.530
  187   2HB   ASP  23          HB1       ASP  23  13.509  -3.845  -3.382
  188    H    ALA  24           HN       ALA  24  10.229  -2.564  -4.411
  189    HA   ALA  24           HA       ALA  24   7.574  -2.788  -3.505
  190   1HB   ALA  24          HB1       ALA  24   7.191  -2.913  -6.104
  191   2HB   ALA  24          HB2       ALA  24   8.941  -2.709  -6.178
  192   3HB   ALA  24          HB3       ALA  24   7.942  -1.476  -5.409
  193    H    ALA  25           HN       ALA  25   9.704  -5.255  -4.788
  194    HA   ALA  25           HA       ALA  25   7.832  -7.194  -5.692
  195   1HB   ALA  25          HB1       ALA  25  10.308  -7.964  -4.181
  196   2HB   ALA  25          HB2       ALA  25  10.478  -7.012  -5.656
  197   3HB   ALA  25          HB3       ALA  25   9.697  -8.592  -5.711
  198    H    THR  26           HN       THR  26   8.850  -6.326  -2.426
  199    HA   THR  26           HA       THR  26   7.136  -8.513  -1.305
  200    HB   THR  26           HB       THR  26   9.254  -6.801   0.029
  201    HG1  THR  26           HG1      THR  26  10.330  -7.958  -1.463
  202   1HG2  THR  26          HG21      THR  26   9.256  -8.665   1.674
  203   2HG2  THR  26          HG22      THR  26   7.928  -9.417   0.791
  204   3HG2  THR  26          HG23      THR  26   7.690  -7.859   1.582
  205    H    ALA  27           HN       ALA  27   7.614  -5.034  -1.449
  206    HA   ALA  27           HA       ALA  27   6.003  -4.201   0.752
  207   1HB   ALA  27          HB1       ALA  27   6.313  -2.110  -0.189
  208   2HB   ALA  27          HB2       ALA  27   5.973  -2.683  -1.822
  209   3HB   ALA  27          HB3       ALA  27   7.545  -2.995  -1.087
  210    H    GLU  28           HN       GLU  28   5.133  -4.914  -2.632
  211    HA   GLU  28           HA       GLU  28   2.320  -4.264  -2.346
  212   1HB   GLU  28          HB2       GLU  28   3.688  -4.345  -4.463
  213   2HB   GLU  28          HB1       GLU  28   3.714  -6.103  -4.319
  214   1HG   GLU  28          HG2       GLU  28   1.311  -6.223  -4.499
  215   2HG   GLU  28          HG1       GLU  28   1.167  -4.467  -4.412
  216    H    LYS  29           HN       LYS  29   4.127  -7.366  -2.325
  217    HA   LYS  29           HA       LYS  29   1.937  -9.136  -2.024
  218   1HB   LYS  29          HB2       LYS  29   4.816  -9.127  -1.142
  219   2HB   LYS  29          HB1       LYS  29   3.766 -10.488  -0.751
  220   1HG   LYS  29          HG2       LYS  29   3.219 -10.739  -3.158
  221   2HG   LYS  29          HG1       LYS  29   4.327  -9.419  -3.532
  222   1HD   LYS  29          HD2       LYS  29   6.172 -10.721  -3.261
  223   2HD   LYS  29          HD1       LYS  29   5.502 -11.547  -1.854
  224   1HE   LYS  29          HE2       LYS  29   3.886 -12.612  -3.708
  225   2HE   LYS  29          HE1       LYS  29   5.282 -12.264  -4.748
  226   1HZ   LYS  29          HZ1       LYS  29   5.403 -14.450  -3.580
  227   2HZ   LYS  29          HZ2       LYS  29   5.491 -13.606  -2.108
  228   3HZ   LYS  29          HZ3       LYS  29   6.717 -13.423  -3.270
  229    H    VAL  30           HN       VAL  30   3.560  -7.112   0.369
  230    HA   VAL  30           HA       VAL  30   2.110  -8.324   2.636
  231    HB   VAL  30           HB       VAL  30   3.944  -5.912   2.377
  232   1HG1  VAL  30          HG11      VAL  30   2.863  -7.414   4.776
  233   2HG1  VAL  30          HG12      VAL  30   2.667  -5.702   4.404
  234   3HG1  VAL  30          HG13      VAL  30   4.250  -6.328   4.864
  235   1HG2  VAL  30          HG21      VAL  30   4.880  -8.206   1.765
  236   2HG2  VAL  30          HG22      VAL  30   4.589  -8.674   3.440
  237   3HG2  VAL  30          HG23      VAL  30   5.718  -7.370   3.072
  238    H    PHE  31           HN       PHE  31   2.224  -5.139   0.999
  239    HA   PHE  31           HA       PHE  31   0.078  -3.974   2.529
  240   1HB   PHE  31          HB2       PHE  31   1.560  -3.399  -0.017
  241   2HB   PHE  31          HB1       PHE  31   0.102  -2.476   0.333
  242    HD1  PHE  31           HD1      PHE  31   3.407  -2.041   0.428
  243    HD2  PHE  31           HD2      PHE  31   0.144  -2.110   3.224
  244    HE1  PHE  31           HE1      PHE  31   4.695  -0.594   1.973
  245    HE2  PHE  31           HE2      PHE  31   1.438  -0.664   4.767
  246    HZ   PHE  31           HZ       PHE  31   3.713   0.094   4.141
  247    H    LYS  32           HN       LYS  32   0.185  -5.709  -0.580
  248    HA   LYS  32           HA       LYS  32  -2.551  -5.302  -1.333
  249   1HB   LYS  32          HB2       LYS  32  -0.674  -6.184  -2.760
  250   2HB   LYS  32          HB1       LYS  32  -0.744  -7.694  -1.850
  251   1HG   LYS  32          HG2       LYS  32  -3.159  -7.906  -2.501
  252   2HG   LYS  32          HG1       LYS  32  -2.962  -6.489  -3.531
  253   1HD   LYS  32          HD2       LYS  32  -0.868  -8.485  -3.992
  254   2HD   LYS  32          HD1       LYS  32  -2.482  -9.137  -4.274
  255   1HE   LYS  32          HE2       LYS  32  -2.088  -8.200  -6.363
  256   2HE   LYS  32          HE1       LYS  32  -2.770  -6.778  -5.548
  257   1HZ   LYS  32          HZ1       LYS  32   0.117  -7.464  -5.504
  258   2HZ   LYS  32          HZ2       LYS  32  -0.611  -6.027  -4.964
  259   3HZ   LYS  32          HZ3       LYS  32  -0.564  -6.387  -6.623
  260    H    GLN  33           HN       GLN  33  -0.947  -7.869   0.561
  261    HA   GLN  33           HA       GLN  33  -3.283  -9.452   1.068
  262   1HB   GLN  33          HB2       GLN  33  -0.736  -9.902   1.389
  263   2HB   GLN  33          HB1       GLN  33  -0.968  -9.144   2.964
  264   1HG   GLN  33          HG2       GLN  33  -1.277 -11.497   3.302
  265   2HG   GLN  33          HG1       GLN  33  -2.887 -10.779   3.328
  266   1HE2  GLN  33          HE21      GLN  33  -3.913 -12.766   2.564
  267   2HE2  GLN  33          HE22      GLN  33  -3.721 -13.300   0.964
  268    H    TYR  34           HN       TYR  34  -1.868  -6.670   2.618
  269    HA   TYR  34           HA       TYR  34  -3.474  -6.614   5.009
  270   1HB   TYR  34          HB2       TYR  34  -1.587  -5.260   5.117
  271   2HB   TYR  34          HB1       TYR  34  -1.695  -4.795   3.424
  272    HD1  TYR  34           HD1      TYR  34  -2.873  -2.818   2.752
  273    HD2  TYR  34           HD2      TYR  34  -3.072  -4.195   6.808
  274    HE1  TYR  34           HE1      TYR  34  -3.943  -0.681   3.412
  275    HE2  TYR  34           HE2      TYR  34  -4.139  -2.053   7.484
  276    HH   TYR  34           HH       TYR  34  -5.647  -0.192   5.953
  277    H    ALA  35           HN       ALA  35  -3.735  -4.696   1.994
  278    HA   ALA  35           HA       ALA  35  -6.274  -3.526   2.513
  279   1HB   ALA  35          HB1       ALA  35  -5.306  -2.523   0.701
  280   2HB   ALA  35          HB2       ALA  35  -6.134  -3.778  -0.222
  281   3HB   ALA  35          HB3       ALA  35  -4.445  -3.996   0.240
  282    H    ASN  36           HN       ASN  36  -5.434  -6.589   0.887
  283    HA   ASN  36           HA       ASN  36  -7.999  -7.337  -0.025
  284   1HB   ASN  36          HB2       ASN  36  -5.779  -8.400  -0.534
  285   2HB   ASN  36          HB1       ASN  36  -5.814  -9.127   1.074
  286   1HD2  ASN  36          HD21      ASN  36  -7.808  -8.927  -1.925
  287   2HD2  ASN  36          HD22      ASN  36  -8.469 -10.482  -1.765
  288    H    ASP  37           HN       ASP  37  -6.497  -7.727   3.167
  289    HA   ASP  37           HA       ASP  37  -8.503  -9.424   4.334
  290   1HB   ASP  37          HB2       ASP  37  -6.067  -8.440   5.042
  291   2HB   ASP  37          HB1       ASP  37  -7.113  -7.409   6.019
  292    H    ASN  38           HN       ASN  38  -8.102  -5.875   4.289
  293    HA   ASN  38           HA       ASN  38 -10.570  -5.375   5.772
  294   1HB   ASN  38          HB2       ASN  38  -8.508  -3.765   4.271
  295   2HB   ASN  38          HB1       ASN  38  -9.982  -2.994   4.858
  296   1HD2  ASN  38          HD21      ASN  38  -6.822  -3.647   5.755
  297   2HD2  ASN  38          HD22      ASN  38  -7.003  -3.590   7.441
  298    H    GLY  39           HN       GLY  39  -9.562  -5.243   2.356
  299   1HA   GLY  39          HA2       GLY  39 -11.250  -5.965   0.666
  300   2HA   GLY  39          HA1       GLY  39 -12.453  -5.081   1.605
  301    H    ILE  40           HN       ILE  40  -9.168  -4.020   0.733
  302    HA   ILE  40           HA       ILE  40 -10.361  -1.570  -0.463
  303    HB   ILE  40           HB       ILE  40  -7.544  -2.335   0.382
  304   1HG1  ILE  40          HG12      ILE  40  -9.595  -0.455   1.605
  305   2HG1  ILE  40          HG11      ILE  40  -9.201  -2.059   2.218
  306   1HG2  ILE  40          HG21      ILE  40  -7.119  -0.686  -1.221
  307   2HG2  ILE  40          HG22      ILE  40  -7.383   0.312   0.210
  308   3HG2  ILE  40          HG23      ILE  40  -8.680   0.099  -0.964
  309   1HD1  ILE  40          HD11      ILE  40  -6.827  -1.309   2.520
  310   2HD1  ILE  40          HD12      ILE  40  -7.974  -0.396   3.505
  311   3HD1  ILE  40          HD13      ILE  40  -7.320   0.312   2.029
  312    H    ASP  41           HN       ASP  41 -10.955  -3.333  -2.271
  313    HA   ASP  41           HA       ASP  41  -8.737  -3.905  -4.137
  314   1HB   ASP  41          HB2       ASP  41 -10.570  -4.994  -5.422
  315   2HB   ASP  41          HB1       ASP  41 -10.567  -5.520  -3.740
  316    H    GLY  42           HN       GLY  42  -8.671  -1.262  -3.902
  317   1HA   GLY  42          HA2       GLY  42 -10.478   0.063  -5.805
  318   2HA   GLY  42          HA1       GLY  42  -9.222   0.840  -4.839
  319    H    GLU  43           HN       GLU  43  -8.095   1.892  -6.412
  320    HA   GLU  43           HA       GLU  43  -7.010   0.290  -8.650
  321   1HB   GLU  43          HB2       GLU  43  -6.869   2.441  -9.850
  322   2HB   GLU  43          HB1       GLU  43  -8.505   2.173  -9.261
  323   1HG   GLU  43          HG2       GLU  43  -8.359   4.226  -8.323
  324   2HG   GLU  43          HG1       GLU  43  -7.278   3.495  -7.141
  325    H    TRP  44           HN       TRP  44  -5.006  -0.381  -8.035
  326    HA   TRP  44           HA       TRP  44  -3.403   1.102  -6.152
  327   1HB   TRP  44          HB2       TRP  44  -3.061  -1.400  -7.785
  328   2HB   TRP  44          HB1       TRP  44  -1.788  -0.795  -6.718
  329    HD1  TRP  44           HD1      TRP  44  -5.491  -1.848  -6.593
  330    HE1  TRP  44           HE1      TRP  44  -6.020  -2.650  -4.200
  331    HE3  TRP  44           HE3      TRP  44  -1.029  -0.846  -4.322
  332    HZ2  TRP  44           HZ2      TRP  44  -4.723  -2.829  -1.670
  333    HZ3  TRP  44           HZ3      TRP  44  -0.705  -1.344  -1.915
  334    HH2  TRP  44           HH2      TRP  44  -2.545  -2.341  -0.587
  335    H    THR  45           HN       THR  45  -1.584   2.247  -6.487
  336    HA   THR  45           HA       THR  45  -0.325   2.449  -9.142
  337    HB   THR  45           HB       THR  45  -0.616   5.016  -8.920
  338    HG1  THR  45           HG1      THR  45  -2.148   5.705  -7.579
  339   1HG2  THR  45          HG21      THR  45  -1.895   3.242 -10.422
  340   2HG2  THR  45          HG22      THR  45  -2.422   4.924 -10.364
  341   3HG2  THR  45          HG23      THR  45  -3.259   3.703  -9.405
  342    H    TYR  46           HN       TYR  46   1.841   2.708  -8.786
  343    HA   TYR  46           HA       TYR  46   2.739   3.178  -5.995
  344   1HB   TYR  46          HB2       TYR  46   3.576   1.198  -7.016
  345   2HB   TYR  46          HB1       TYR  46   3.888   2.013  -8.543
  346    HD1  TYR  46           HD1      TYR  46   5.127   1.414  -5.118
  347    HD2  TYR  46           HD2      TYR  46   5.882   3.379  -8.862
  348    HE1  TYR  46           HE1      TYR  46   7.470   1.799  -4.439
  349    HE2  TYR  46           HE2      TYR  46   8.233   3.772  -8.181
  350    HH   TYR  46           HH       TYR  46   9.784   2.190  -5.962
  351    H    ASP  47           HN       ASP  47   3.535   5.144  -5.425
  352    HA   ASP  47           HA       ASP  47   4.028   7.221  -7.464
  353   1HB   ASP  47          HB2       ASP  47   2.919   7.182  -4.979
  354   2HB   ASP  47          HB1       ASP  47   4.565   7.672  -4.577
  355    H    ASP  48           HN       ASP  48   6.016   6.699  -8.458
  356    HA   ASP  48           HA       ASP  48   8.348   5.707  -7.125
  357   1HB   ASP  48          HB2       ASP  48   7.830   5.687  -9.583
  358   2HB   ASP  48          HB1       ASP  48   8.151   7.422  -9.620
  359    H    ALA  49           HN       ALA  49   6.978   8.907  -7.238
  360    HA   ALA  49           HA       ALA  49   9.223  10.571  -6.957
  361   1HB   ALA  49          HB1       ALA  49   6.721  11.103  -7.182
  362   2HB   ALA  49          HB2       ALA  49   7.648  12.150  -6.107
  363   3HB   ALA  49          HB3       ALA  49   6.630  10.876  -5.436
  364    H    THR  50           HN       THR  50   7.442   8.767  -4.444
  365    HA   THR  50           HA       THR  50   9.837   8.913  -2.685
  366    HB   THR  50           HB       THR  50   8.415   9.757  -0.831
  367    HG1  THR  50           HG1      THR  50   6.419   9.058  -1.451
  368   1HG2  THR  50          HG21      THR  50   8.111  11.541  -3.254
  369   2HG2  THR  50          HG22      THR  50   9.649  11.307  -2.423
  370   3HG2  THR  50          HG23      THR  50   8.287  12.033  -1.569
  371    H    LYS  51           HN       LYS  51   8.260   6.792  -4.188
  372    HA   LYS  51           HA       LYS  51   7.452   4.603  -3.815
  373   1HB   LYS  51          HB2       LYS  51   9.538   5.281  -1.895
  374   2HB   LYS  51          HB1       LYS  51   8.443   4.067  -1.237
  375   1HG   LYS  51          HG2       LYS  51   9.800   2.629  -2.384
  376   2HG   LYS  51          HG1       LYS  51   8.767   3.085  -3.738
  377   1HD   LYS  51          HD2       LYS  51  10.354   4.554  -4.628
  378   2HD   LYS  51          HD1       LYS  51  11.179   4.752  -3.082
  379   1HE   LYS  51          HE2       LYS  51  12.296   2.689  -3.264
  380   2HE   LYS  51          HE1       LYS  51  11.128   2.056  -4.441
  381   1HZ   LYS  51          HZ1       LYS  51  13.042   4.288  -4.875
  382   2HZ   LYS  51          HZ2       LYS  51  11.839   3.822  -5.981
  383   3HZ   LYS  51          HZ3       LYS  51  13.105   2.756  -5.598
  384    H    THR  52           HN       THR  52   5.191   4.942  -3.607
  385    HA   THR  52           HA       THR  52   4.120   4.625  -0.876
  386    HB   THR  52           HB       THR  52   3.447   7.025  -2.606
  387    HG1  THR  52           HG1      THR  52   4.618   8.169  -1.078
  388   1HG2  THR  52          HG21      THR  52   1.998   7.712  -0.895
  389   2HG2  THR  52          HG22      THR  52   2.742   6.642   0.294
  390   3HG2  THR  52          HG23      THR  52   1.711   5.974  -0.971
  391    H    PHE  53           HN       PHE  53   2.946   2.785  -1.439
  392    HA   PHE  53           HA       PHE  53   1.568   2.352  -3.922
  393   1HB   PHE  53          HB2       PHE  53   1.339   1.253  -1.110
  394   2HB   PHE  53          HB1       PHE  53   0.332   0.647  -2.422
  395    HD1  PHE  53           HD1      PHE  53   1.243  -0.726  -4.168
  396    HD2  PHE  53           HD2      PHE  53   3.811   1.010  -1.200
  397    HE1  PHE  53           HE1      PHE  53   3.101  -2.190  -4.920
  398    HE2  PHE  53           HE2      PHE  53   5.668  -0.451  -1.946
  399    HZ   PHE  53           HZ       PHE  53   5.314  -2.052  -3.809
  400    H    THR  54           HN       THR  54  -0.414   3.164  -4.602
  401    HA   THR  54           HA       THR  54  -2.096   4.553  -2.524
  402    HB   THR  54           HB       THR  54  -1.557   5.301  -5.412
  403    HG1  THR  54           HG1      THR  54  -0.712   6.528  -3.005
  404   1HG2  THR  54          HG21      THR  54  -3.759   5.967  -3.922
  405   2HG2  THR  54          HG22      THR  54  -3.093   6.963  -5.216
  406   3HG2  THR  54          HG23      THR  54  -2.659   7.291  -3.539
  407    H    VAL  55           HN       VAL  55  -3.927   3.267  -2.276
  408    HA   VAL  55           HA       VAL  55  -5.272   2.286  -4.730
  409    HB   VAL  55           HB       VAL  55  -4.459   0.531  -3.129
  410   1HG1  VAL  55          HG11      VAL  55  -4.838   1.961  -1.079
  411   2HG1  VAL  55          HG12      VAL  55  -5.437   0.303  -0.951
  412   3HG1  VAL  55          HG13      VAL  55  -6.561   1.633  -1.276
  413   1HG2  VAL  55          HG21      VAL  55  -6.523   0.282  -4.587
  414   2HG2  VAL  55          HG22      VAL  55  -7.471   0.675  -3.153
  415   3HG2  VAL  55          HG23      VAL  55  -6.459  -0.769  -3.172
  416    H    THR  56           HN       THR  56  -7.729   2.218  -4.447
  417    HA   THR  56           HA       THR  56  -8.928   4.074  -2.515
  418    HB   THR  56           HB       THR  56  -8.690   4.668  -5.478
  419    HG1  THR  56           HG1      THR  56  -7.377   6.284  -4.845
  420   1HG2  THR  56          HG21      THR  56  -9.998   6.661  -5.072
  421   2HG2  THR  56          HG22      THR  56 -10.038   6.339  -3.339
  422   3HG2  THR  56          HG23      THR  56 -10.913   5.288  -4.452
  423    H    GLU  57           HN       GLU  57 -10.697   2.796  -2.006
  424    HA   GLU  57           HA       GLU  57 -11.922   0.891  -3.785
  425   1HB   GLU  57          HB2       GLU  57 -12.722   2.249  -1.201
  426   2HB   GLU  57          HB1       GLU  57 -13.737   1.025  -1.966
  427   1HG   GLU  57          HG2       GLU  57 -11.622  -0.448  -2.004
  428   2HG   GLU  57          HG1       GLU  57 -10.946   0.712  -0.861
  Start of MODEL   35
    1   1H    MET   1          HT1       MET   1  17.042  -1.120   3.546
    2   2H    MET   1          HT2       MET   1  17.102  -2.494   4.543
    3   3H    MET   1          HT3       MET   1  16.423  -1.049   5.123
    4    HA   MET   1           HA       MET   1  15.319  -2.737   2.933
    5   1HB   MET   1          HB2       MET   1  15.157  -2.703   5.840
    6   2HB   MET   1          HB1       MET   1  13.567  -2.435   5.128
    7   1HG   MET   1          HG2       MET   1  13.660  -4.474   3.899
    8   2HG   MET   1          HG1       MET   1  15.387  -4.662   4.199
    9   1HE   MET   1          HE1       MET   1  16.000  -4.840   7.511
   10   2HE   MET   1          HE2       MET   1  16.471  -5.233   5.859
   11   3HE   MET   1          HE3       MET   1  15.952  -6.516   6.948
   12    H    THR   2           HN       THR   2  13.312  -1.898   2.081
   13    HA   THR   2           HA       THR   2  13.086   1.071   2.285
   14    HB   THR   2           HB       THR   2  11.900  -0.914   0.319
   15    HG1  THR   2           HG1      THR   2  14.281   0.621   0.281
   16   1HG2  THR   2          HG21      THR   2  10.681   1.151   0.268
   17   2HG2  THR   2          HG22      THR   2  11.782   1.176  -1.109
   18   3HG2  THR   2          HG23      THR   2  12.167   2.099   0.344
   19    H    THR   3           HN       THR   3  11.584   1.698   3.794
   20    HA   THR   3           HA       THR   3   9.301  -0.001   4.460
   21    HB   THR   3           HB       THR   3  10.006   2.750   5.489
   22    HG1  THR   3           HG1      THR   3  11.811   1.770   5.991
   23   1HG2  THR   3          HG21      THR   3   7.845   1.916   6.217
   24   2HG2  THR   3          HG22      THR   3   8.971   1.821   7.571
   25   3HG2  THR   3          HG23      THR   3   8.555   0.366   6.666
   26    H    PHE   4           HN       PHE   4   7.969   0.160   2.540
   27    HA   PHE   4           HA       PHE   4   7.220   2.727   1.387
   28   1HB   PHE   4          HB2       PHE   4   6.081  -0.081   1.204
   29   2HB   PHE   4          HB1       PHE   4   5.560   1.259   0.187
   30    HD1  PHE   4           HD1      PHE   4   7.099   2.257  -1.470
   31    HD2  PHE   4           HD2      PHE   4   8.230  -1.140   0.903
   32    HE1  PHE   4           HE1      PHE   4   8.996   1.814  -3.007
   33    HE2  PHE   4           HE2      PHE   4  10.126  -1.582  -0.632
   34    HZ   PHE   4           HZ       PHE   4  10.506  -0.106  -2.588
   35    H    LYS   5           HN       LYS   5   4.800   3.337   1.312
   36    HA   LYS   5           HA       LYS   5   3.435   2.756   3.918
   37   1HB   LYS   5          HB2       LYS   5   4.410   5.291   2.720
   38   2HB   LYS   5          HB1       LYS   5   2.808   5.360   3.453
   39   1HG   LYS   5          HG2       LYS   5   3.662   4.563   5.565
   40   2HG   LYS   5          HG1       LYS   5   5.240   4.220   4.854
   41   1HD   LYS   5          HD2       LYS   5   4.215   7.005   4.584
   42   2HD   LYS   5          HD1       LYS   5   4.746   6.497   6.189
   43   1HE   LYS   5          HE2       LYS   5   6.853   5.576   4.899
   44   2HE   LYS   5          HE1       LYS   5   6.356   6.748   3.661
   45   1HZ   LYS   5          HZ1       LYS   5   6.321   8.481   5.287
   46   2HZ   LYS   5          HZ2       LYS   5   7.832   7.711   5.388
   47   3HZ   LYS   5          HZ3       LYS   5   6.632   7.391   6.548
   48    H    LEU   6           HN       LEU   6   1.535   1.780   3.339
   49    HA   LEU   6           HA       LEU   6   0.221   2.454   0.761
   50   1HB   LEU   6          HB2       LEU   6   0.705   0.121   1.921
   51   2HB   LEU   6          HB1       LEU   6  -0.773   0.480   2.797
   52    HG   LEU   6           HG       LEU   6  -0.397  -0.390   0.000
   53   1HD1  LEU   6          HD11      LEU   6  -2.968  -0.855   0.547
   54   2HD1  LEU   6          HD12      LEU   6  -2.411  -0.581   2.198
   55   3HD1  LEU   6          HD13      LEU   6  -1.681  -1.856   1.219
   56   1HD2  LEU   6          HD21      LEU   6  -2.329   1.875   0.610
   57   2HD2  LEU   6          HD22      LEU   6  -2.497   0.810  -0.786
   58   3HD2  LEU   6          HD23      LEU   6  -1.076   1.843  -0.631
   59    H    ILE   7           HN       ILE   7  -1.114   4.253   0.909
   60    HA   ILE   7           HA       ILE   7  -2.356   5.136   3.353
   61    HB   ILE   7           HB       ILE   7  -1.808   6.249   0.961
   62   1HG1  ILE   7          HG12      ILE   7  -4.233   7.275   2.390
   63   2HG1  ILE   7          HG11      ILE   7  -2.694   7.179   3.245
   64   1HG2  ILE   7          HG21      ILE   7  -3.821   4.798   0.029
   65   2HG2  ILE   7          HG22      ILE   7  -3.574   6.453  -0.526
   66   3HG2  ILE   7          HG23      ILE   7  -4.789   6.109   0.703
   67   1HD1  ILE   7          HD11      ILE   7  -1.615   8.515   1.475
   68   2HD1  ILE   7          HD12      ILE   7  -2.972   9.392   2.187
   69   3HD1  ILE   7          HD13      ILE   7  -3.152   8.614   0.614
   70    H    ILE   8           HN       ILE   8  -4.777   5.139   3.701
   71    HA   ILE   8           HA       ILE   8  -6.029   2.661   2.563
   72    HB   ILE   8           HB       ILE   8  -6.177   3.806   5.370
   73   1HG1  ILE   8          HG12      ILE   8  -3.995   2.757   4.819
   74   2HG1  ILE   8          HG11      ILE   8  -4.886   1.803   6.002
   75   1HG2  ILE   8          HG21      ILE   8  -7.485   1.860   5.939
   76   2HG2  ILE   8          HG22      ILE   8  -7.268   1.178   4.328
   77   3HG2  ILE   8          HG23      ILE   8  -8.252   2.624   4.548
   78   1HD1  ILE   8          HD11      ILE   8  -5.710   0.350   4.135
   79   2HD1  ILE   8          HD12      ILE   8  -3.957   0.306   4.320
   80   3HD1  ILE   8          HD13      ILE   8  -4.682   1.256   3.025
   81    H    ASN   9           HN       ASN   9  -6.936   4.296   0.981
   82    HA   ASN   9           HA       ASN   9  -9.056   6.055   2.111
   83   1HB   ASN   9          HB2       ASN   9  -7.260   6.054  -0.145
   84   2HB   ASN   9          HB1       ASN   9  -8.914   6.113  -0.748
   85   1HD2  ASN   9          HD21      ASN   9  -6.671   8.255  -0.443
   86   2HD2  ASN   9          HD22      ASN   9  -7.464   9.546   0.322
   87    H    GLY  10           HN       GLY  10  -9.565   3.372   2.490
   88   1HA   GLY  10          HA2       GLY  10 -11.511   2.643   0.350
   89   2HA   GLY  10          HA1       GLY  10 -10.755   1.487   1.448
   90    H    LYS  11           HN       LYS  11 -13.563   1.710   1.087
   91    HA   LYS  11           HA       LYS  11 -14.728   3.219   3.301
   92   1HB   LYS  11          HB2       LYS  11 -15.776   2.567   1.064
   93   2HB   LYS  11          HB1       LYS  11 -15.916   0.932   1.711
   94   1HG   LYS  11          HG2       LYS  11 -18.007   1.989   2.174
   95   2HG   LYS  11          HG1       LYS  11 -17.131   1.977   3.704
   96   1HD   LYS  11          HD2       LYS  11 -16.535   4.276   3.498
   97   2HD   LYS  11          HD1       LYS  11 -17.022   4.325   1.804
   98   1HE   LYS  11          HE2       LYS  11 -19.286   4.435   2.315
   99   2HE   LYS  11          HE1       LYS  11 -19.083   3.575   3.854
  100   1HZ   LYS  11          HZ1       LYS  11 -17.834   5.487   4.693
  101   2HZ   LYS  11          HZ2       LYS  11 -19.418   5.924   4.264
  102   3HZ   LYS  11          HZ3       LYS  11 -18.118   6.320   3.243
  103    H    THR  12           HN       THR  12 -12.896   0.372   3.223
  104    HA   THR  12           HA       THR  12 -14.397  -0.936   5.437
  105    HB   THR  12           HB       THR  12 -11.961  -1.796   3.840
  106    HG1  THR  12           HG1      THR  12 -13.548  -1.774   2.394
  107   1HG2  THR  12          HG21      THR  12 -13.817  -3.732   5.118
  108   2HG2  THR  12          HG22      THR  12 -12.776  -2.811   6.205
  109   3HG2  THR  12          HG23      THR  12 -12.064  -3.804   4.933
  110    H    LEU  13           HN       LEU  13 -11.339   0.699   4.699
  111    HA   LEU  13           HA       LEU  13 -10.767   0.789   7.637
  112   1HB   LEU  13          HB2       LEU  13  -9.019  -0.189   5.374
  113   2HB   LEU  13          HB1       LEU  13  -8.330   0.343   6.909
  114    HG   LEU  13           HG       LEU  13 -10.473  -1.785   6.660
  115   1HD1  LEU  13          HD11      LEU  13  -8.552  -2.771   5.701
  116   2HD1  LEU  13          HD12      LEU  13  -8.475  -3.260   7.393
  117   3HD1  LEU  13          HD13      LEU  13  -7.464  -1.938   6.811
  118   1HD2  LEU  13          HD21      LEU  13  -9.539  -2.247   9.037
  119   2HD2  LEU  13          HD22      LEU  13 -10.593  -0.848   8.829
  120   3HD2  LEU  13          HD23      LEU  13  -8.846  -0.629   8.925
  121    H    LYS  14           HN       LYS  14  -8.853   2.391   7.996
  122    HA   LYS  14           HA       LYS  14  -8.509   4.484   5.967
  123   1HB   LYS  14          HB2       LYS  14 -10.719   4.556   7.717
  124   2HB   LYS  14          HB1       LYS  14  -9.570   5.714   8.386
  125   1HG   LYS  14          HG2       LYS  14  -9.487   6.957   6.349
  126   2HG   LYS  14          HG1       LYS  14 -10.309   5.679   5.453
  127   1HD   LYS  14          HD2       LYS  14 -12.342   6.044   6.827
  128   2HD   LYS  14          HD1       LYS  14 -11.521   7.361   7.666
  129   1HE   LYS  14          HE2       LYS  14 -12.719   8.501   5.983
  130   2HE   LYS  14          HE1       LYS  14 -11.127   8.291   5.228
  131   1HZ   LYS  14          HZ1       LYS  14 -13.337   6.325   4.984
  132   2HZ   LYS  14          HZ2       LYS  14 -11.863   6.324   4.140
  133   3HZ   LYS  14          HZ3       LYS  14 -13.024   7.524   3.826
  134    H    GLY  15           HN       GLY  15  -6.552   5.515   6.330
  135   1HA   GLY  15          HA2       GLY  15  -5.178   6.555   8.271
  136   2HA   GLY  15          HA1       GLY  15  -5.169   4.908   8.903
  137    H    GLU  16           HN       GLU  16  -2.942   4.542   8.694
  138    HA   GLU  16           HA       GLU  16  -1.952   4.300   5.878
  139   1HB   GLU  16          HB2       GLU  16  -0.712   5.678   8.268
  140   2HB   GLU  16          HB1       GLU  16   0.253   5.183   6.876
  141   1HG   GLU  16          HG2       GLU  16  -1.369   6.473   5.419
  142   2HG   GLU  16          HG1       GLU  16  -2.075   7.119   6.901
  143    H    THR  17           HN       THR  17  -0.379   2.625   5.597
  144    HA   THR  17           HA       THR  17   0.050   0.818   7.954
  145    HB   THR  17           HB       THR  17  -0.434  -0.100   5.114
  146    HG1  THR  17           HG1      THR  17  -2.614  -0.460   5.913
  147   1HG2  THR  17          HG21      THR  17  -0.720  -2.216   6.052
  148   2HG2  THR  17          HG22      THR  17  -1.132  -1.566   7.639
  149   3HG2  THR  17          HG23      THR  17   0.541  -1.537   7.082
  150    H    THR  18           HN       THR  18   2.113  -0.155   8.023
  151    HA   THR  18           HA       THR  18   4.015   0.532   5.807
  152    HB   THR  18           HB       THR  18   5.667   0.970   7.655
  153    HG1  THR  18           HG1      THR  18   4.548  -0.253   9.240
  154   1HG2  THR  18          HG21      THR  18   3.204   2.675   8.014
  155   2HG2  THR  18          HG22      THR  18   4.162   2.732   6.534
  156   3HG2  THR  18          HG23      THR  18   4.895   3.169   8.078
  157    H    THR  19           HN       THR  19   5.416  -1.138   5.254
  158    HA   THR  19           HA       THR  19   5.653  -3.498   7.053
  159    HB   THR  19           HB       THR  19   3.707  -3.891   5.599
  160    HG1  THR  19           HG1      THR  19   5.939  -5.348   4.647
  161   1HG2  THR  19          HG21      THR  19   3.653  -3.418   3.375
  162   2HG2  THR  19          HG22      THR  19   5.295  -4.005   3.112
  163   3HG2  THR  19          HG23      THR  19   5.030  -2.380   3.742
  164    H    GLU  20           HN       GLU  20   7.712  -4.317   6.989
  165    HA   GLU  20           HA       GLU  20   9.834  -3.010   5.592
  166   1HB   GLU  20          HB2       GLU  20  11.147  -4.963   6.417
  167   2HB   GLU  20          HB1       GLU  20  10.104  -4.290   7.667
  168   1HG   GLU  20          HG2       GLU  20   9.201  -6.336   7.943
  169   2HG   GLU  20          HG1       GLU  20   8.523  -6.210   6.321
  170    H    ALA  21           HN       ALA  21  10.538  -3.246   3.514
  171    HA   ALA  21           HA       ALA  21  10.166  -5.805   2.070
  172   1HB   ALA  21          HB1       ALA  21   9.066  -3.187   1.004
  173   2HB   ALA  21          HB2       ALA  21   8.074  -4.369   1.859
  174   3HB   ALA  21          HB3       ALA  21   8.833  -4.799   0.326
  175    H    VAL  22           HN       VAL  22  11.786  -6.072   0.520
  176    HA   VAL  22           HA       VAL  22  14.133  -4.467   0.577
  177    HB   VAL  22           HB       VAL  22  14.007  -6.823  -0.153
  178   1HG1  VAL  22          HG11      VAL  22  11.783  -6.288  -1.454
  179   2HG1  VAL  22          HG12      VAL  22  12.867  -7.540  -2.059
  180   3HG1  VAL  22          HG13      VAL  22  12.877  -5.936  -2.791
  181   1HG2  VAL  22          HG21      VAL  22  15.406  -6.607  -2.223
  182   2HG2  VAL  22          HG22      VAL  22  15.926  -5.537  -0.920
  183   3HG2  VAL  22          HG23      VAL  22  14.997  -4.892  -2.273
  184    H    ASP  23           HN       ASP  23  11.312  -4.357  -1.575
  185    HA   ASP  23           HA       ASP  23  11.806  -1.585  -2.282
  186   1HB   ASP  23          HB2       ASP  23  12.266  -2.056  -4.699
  187   2HB   ASP  23          HB1       ASP  23  13.544  -2.636  -3.635
  188    H    ALA  24           HN       ALA  24  10.304  -1.163  -4.415
  189    HA   ALA  24           HA       ALA  24   7.625  -1.568  -3.652
  190   1HB   ALA  24          HB1       ALA  24   8.429   0.155  -5.210
  191   2HB   ALA  24          HB2       ALA  24   7.150  -0.795  -5.965
  192   3HB   ALA  24          HB3       ALA  24   8.835  -1.090  -6.391
  193    H    ALA  25           HN       ALA  25   9.768  -3.648  -5.491
  194    HA   ALA  25           HA       ALA  25   7.882  -5.302  -6.840
  195   1HB   ALA  25          HB1       ALA  25  10.495  -5.141  -6.879
  196   2HB   ALA  25          HB2       ALA  25   9.741  -6.709  -7.168
  197   3HB   ALA  25          HB3       ALA  25  10.419  -6.336  -5.584
  198    H    THR  26           HN       THR  26   8.924  -5.246  -3.475
  199    HA   THR  26           HA       THR  26   7.299  -7.692  -2.899
  200    HB   THR  26           HB       THR  26   9.256  -6.212  -1.121
  201    HG1  THR  26           HG1      THR  26  10.429  -6.811  -2.871
  202   1HG2  THR  26          HG21      THR  26   9.455  -8.679  -0.284
  203   2HG2  THR  26          HG22      THR  26   7.907  -8.898  -1.100
  204   3HG2  THR  26          HG23      THR  26   8.058  -7.722   0.206
  205    H    ALA  27           HN       ALA  27   7.569  -4.245  -2.252
  206    HA   ALA  27           HA       ALA  27   5.892  -4.008   0.039
  207   1HB   ALA  27          HB1       ALA  27   5.938  -1.718  -0.491
  208   2HB   ALA  27          HB2       ALA  27   5.904  -2.026  -2.227
  209   3HB   ALA  27          HB3       ALA  27   7.380  -2.319  -1.309
  210    H    GLU  28           HN       GLU  28   5.029  -3.769  -3.431
  211    HA   GLU  28           HA       GLU  28   2.204  -3.435  -3.068
  212   1HB   GLU  28          HB2       GLU  28   3.728  -3.128  -5.134
  213   2HB   GLU  28          HB1       GLU  28   3.559  -4.868  -5.365
  214   1HG   GLU  28          HG2       GLU  28   0.970  -4.274  -5.049
  215   2HG   GLU  28          HG1       GLU  28   1.518  -2.710  -5.656
  216    H    LYS  29           HN       LYS  29   4.152  -6.386  -3.644
  217    HA   LYS  29           HA       LYS  29   2.060  -8.287  -3.737
  218   1HB   LYS  29          HB2       LYS  29   4.887  -8.419  -2.647
  219   2HB   LYS  29          HB1       LYS  29   3.886  -9.842  -2.937
  220   1HG   LYS  29          HG2       LYS  29   3.591  -8.908  -5.330
  221   2HG   LYS  29          HG1       LYS  29   4.968  -7.873  -4.949
  222   1HD   LYS  29          HD2       LYS  29   6.447  -9.648  -4.827
  223   2HD   LYS  29          HD1       LYS  29   5.193 -10.797  -4.357
  224   1HE   LYS  29          HE2       LYS  29   4.438 -11.075  -6.569
  225   2HE   LYS  29          HE1       LYS  29   5.159  -9.544  -7.105
  226   1HZ   LYS  29          HZ1       LYS  29   6.695 -11.889  -6.118
  227   2HZ   LYS  29          HZ2       LYS  29   7.345 -10.437  -6.714
  228   3HZ   LYS  29          HZ3       LYS  29   6.504 -11.485  -7.754
  229    H    VAL  30           HN       VAL  30   3.620  -6.788  -0.923
  230    HA   VAL  30           HA       VAL  30   2.190  -8.506   0.995
  231    HB   VAL  30           HB       VAL  30   3.918  -6.021   1.297
  232   1HG1  VAL  30          HG11      VAL  30   2.648  -6.262   3.307
  233   2HG1  VAL  30          HG12      VAL  30   4.220  -6.989   3.645
  234   3HG1  VAL  30          HG13      VAL  30   2.829  -8.017   3.294
  235   1HG2  VAL  30          HG21      VAL  30   5.743  -7.521   1.699
  236   2HG2  VAL  30          HG22      VAL  30   4.951  -8.101   0.234
  237   3HG2  VAL  30          HG23      VAL  30   4.667  -8.917   1.771
  238    H    PHE  31           HN       PHE  31   2.136  -5.039   0.074
  239    HA   PHE  31           HA       PHE  31  -0.071  -4.346   1.798
  240   1HB   PHE  31          HB2       PHE  31   1.369  -3.160  -0.554
  241   2HB   PHE  31          HB1       PHE  31  -0.133  -2.411  -0.016
  242    HD1  PHE  31           HD1      PHE  31   3.162  -1.870   0.192
  243    HD2  PHE  31           HD2      PHE  31  -0.106  -2.653   2.869
  244    HE1  PHE  31           HE1      PHE  31   4.385  -0.729   2.023
  245    HE2  PHE  31           HE2      PHE  31   1.118  -1.513   4.698
  246    HZ   PHE  31           HZ       PHE  31   3.363  -0.552   4.274
  247    H    LYS  32           HN       LYS  32   0.130  -5.387  -1.598
  248    HA   LYS  32           HA       LYS  32  -2.604  -4.934  -2.312
  249   1HB   LYS  32          HB2       LYS  32  -0.670  -5.448  -3.835
  250   2HB   LYS  32          HB1       LYS  32  -0.706  -7.113  -3.254
  251   1HG   LYS  32          HG2       LYS  32  -3.100  -7.255  -4.004
  252   2HG   LYS  32          HG1       LYS  32  -2.917  -5.656  -4.728
  253   1HD   LYS  32          HD2       LYS  32  -0.730  -6.922  -5.755
  254   2HD   LYS  32          HD1       LYS  32  -1.861  -8.270  -5.636
  255   1HE   LYS  32          HE2       LYS  32  -3.572  -6.789  -6.820
  256   2HE   LYS  32          HE1       LYS  32  -2.232  -5.675  -7.159
  257   1HZ   LYS  32          HZ1       LYS  32  -0.997  -7.675  -8.009
  258   2HZ   LYS  32          HZ2       LYS  32  -2.311  -7.180  -8.965
  259   3HZ   LYS  32          HZ3       LYS  32  -2.461  -8.528  -7.943
  260    H    GLN  33           HN       GLN  33  -0.948  -7.816  -0.996
  261    HA   GLN  33           HA       GLN  33  -3.216  -9.547  -0.877
  262   1HB   GLN  33          HB2       GLN  33  -0.805 -10.174  -0.627
  263   2HB   GLN  33          HB1       GLN  33  -0.800  -9.392   0.955
  264   1HG   GLN  33          HG2       GLN  33  -1.158 -11.768   1.287
  265   2HG   GLN  33          HG1       GLN  33  -2.668 -10.929   1.643
  266   1HE2  GLN  33          HE21      GLN  33  -4.488 -11.344   0.278
  267   2HE2  GLN  33          HE22      GLN  33  -4.449 -12.461  -1.000
  268    H    TYR  34           HN       TYR  34  -2.096  -6.990   1.195
  269    HA   TYR  34           HA       TYR  34  -3.811  -7.562   3.474
  270   1HB   TYR  34          HB2       TYR  34  -1.966  -6.262   4.028
  271   2HB   TYR  34          HB1       TYR  34  -1.958  -5.428   2.480
  272    HD1  TYR  34           HD1      TYR  34  -3.615  -5.617   5.789
  273    HD2  TYR  34           HD2      TYR  34  -3.079  -3.335   2.198
  274    HE1  TYR  34           HE1      TYR  34  -4.757  -3.681   6.850
  275    HE2  TYR  34           HE2      TYR  34  -4.218  -1.398   3.244
  276    HH   TYR  34           HH       TYR  34  -6.121  -1.366   5.454
  277    H    ALA  35           HN       ALA  35  -3.894  -4.967   1.010
  278    HA   ALA  35           HA       ALA  35  -6.520  -4.014   1.583
  279   1HB   ALA  35          HB1       ALA  35  -5.380  -2.550   0.234
  280   2HB   ALA  35          HB2       ALA  35  -6.138  -3.472  -1.066
  281   3HB   ALA  35          HB3       ALA  35  -4.487  -3.845  -0.570
  282    H    ASN  36           HN       ASN  36  -5.417  -6.297  -0.944
  283    HA   ASN  36           HA       ASN  36  -7.901  -6.883  -2.128
  284   1HB   ASN  36          HB2       ASN  36  -5.563  -7.531  -2.850
  285   2HB   ASN  36          HB1       ASN  36  -5.617  -8.811  -1.637
  286   1HD2  ASN  36          HD21      ASN  36  -7.123 -10.603  -1.991
  287   2HD2  ASN  36          HD22      ASN  36  -7.830 -10.870  -3.511
  288    H    ASP  37           HN       ASP  37  -6.454  -8.155   0.837
  289    HA   ASP  37           HA       ASP  37  -8.447 -10.261   1.215
  290   1HB   ASP  37          HB2       ASP  37  -6.101 -10.316   2.059
  291   2HB   ASP  37          HB1       ASP  37  -6.475  -8.963   3.127
  292    H    ASN  38           HN       ASN  38  -8.030  -6.909   2.235
  293    HA   ASN  38           HA       ASN  38 -10.242  -6.994   4.170
  294   1HB   ASN  38          HB2       ASN  38  -8.364  -4.930   3.020
  295   2HB   ASN  38          HB1       ASN  38  -9.717  -4.443   4.042
  296   1HD2  ASN  38          HD21      ASN  38  -7.034  -6.866   4.073
  297   2HD2  ASN  38          HD22      ASN  38  -6.729  -6.718   5.737
  298    H    GLY  39           HN       GLY  39  -9.648  -5.497   0.974
  299   1HA   GLY  39          HA2       GLY  39 -11.644  -5.803  -0.612
  300   2HA   GLY  39          HA1       GLY  39 -12.597  -5.107   0.699
  301    H    ILE  40           HN       ILE  40  -9.406  -4.210  -0.652
  302    HA   ILE  40           HA       ILE  40 -10.491  -1.442  -1.049
  303    HB   ILE  40           HB       ILE  40  -7.698  -2.439  -0.389
  304   1HG1  ILE  40          HG12      ILE  40  -9.712  -0.860   1.248
  305   2HG1  ILE  40          HG11      ILE  40  -9.369  -2.575   1.457
  306   1HG2  ILE  40          HG21      ILE  40  -7.575   0.202   0.089
  307   2HG2  ILE  40          HG22      ILE  40  -8.783   0.228  -1.193
  308   3HG2  ILE  40          HG23      ILE  40  -7.189  -0.467  -1.498
  309   1HD1  ILE  40          HD11      ILE  40  -7.947  -0.314   2.531
  310   2HD1  ILE  40          HD12      ILE  40  -6.858  -1.246   1.501
  311   3HD1  ILE  40          HD13      ILE  40  -7.686  -2.028   2.847
  312    H    ASP  41           HN       ASP  41 -11.049  -2.933  -3.180
  313    HA   ASP  41           HA       ASP  41  -8.832  -3.071  -5.108
  314   1HB   ASP  41          HB2       ASP  41 -10.664  -3.839  -6.613
  315   2HB   ASP  41          HB1       ASP  41 -10.680  -4.710  -5.081
  316    H    GLY  42           HN       GLY  42  -8.664  -0.556  -4.398
  317   1HA   GLY  42          HA2       GLY  42 -10.455   1.163  -5.995
  318   2HA   GLY  42          HA1       GLY  42  -9.227   1.710  -4.851
  319    H    GLU  43           HN       GLU  43  -8.057   3.062  -6.142
  320    HA   GLU  43           HA       GLU  43  -6.875   1.942  -8.617
  321   1HB   GLU  43          HB2       GLU  43  -7.627   4.731  -7.726
  322   2HB   GLU  43          HB1       GLU  43  -6.592   4.450  -9.126
  323   1HG   GLU  43          HG2       GLU  43  -8.310   3.273 -10.287
  324   2HG   GLU  43          HG1       GLU  43  -9.297   3.133  -8.832
  325    H    TRP  44           HN       TRP  44  -4.854   1.224  -8.073
  326    HA   TRP  44           HA       TRP  44  -3.389   2.347  -5.856
  327   1HB   TRP  44          HB2       TRP  44  -2.907   0.217  -7.921
  328   2HB   TRP  44          HB1       TRP  44  -1.682   0.644  -6.718
  329    HD1  TRP  44           HD1      TRP  44  -5.350  -0.518  -6.916
  330    HE1  TRP  44           HE1      TRP  44  -5.916  -1.769  -4.731
  331    HE3  TRP  44           HE3      TRP  44  -0.991   0.175  -4.347
  332    HZ2  TRP  44           HZ2      TRP  44  -4.685  -2.373  -2.232
  333    HZ3  TRP  44           HZ3      TRP  44  -0.716  -0.749  -2.063
  334    HH2  TRP  44           HH2      TRP  44  -2.557  -2.027  -1.003
  335    H    THR  45           HN       THR  45  -1.590   3.575  -5.875
  336    HA   THR  45           HA       THR  45  -0.255   4.348  -8.387
  337    HB   THR  45           HB       THR  45  -0.616   6.801  -7.647
  338    HG1  THR  45           HG1      THR  45  -1.977   7.134  -6.083
  339   1HG2  THR  45          HG21      THR  45  -2.453   6.984  -9.076
  340   2HG2  THR  45          HG22      THR  45  -3.190   5.496  -8.481
  341   3HG2  THR  45          HG23      THR  45  -1.785   5.421  -9.545
  342    H    TYR  46           HN       TYR  46   1.889   4.539  -7.912
  343    HA   TYR  46           HA       TYR  46   2.682   4.561  -5.040
  344   1HB   TYR  46          HB2       TYR  46   3.508   2.688  -6.250
  345   2HB   TYR  46          HB1       TYR  46   3.881   3.656  -7.669
  346    HD1  TYR  46           HD1      TYR  46   5.041   2.572  -4.351
  347    HD2  TYR  46           HD2      TYR  46   5.891   5.065  -7.744
  348    HE1  TYR  46           HE1      TYR  46   7.380   2.821  -3.582
  349    HE2  TYR  46           HE2      TYR  46   8.231   5.318  -6.972
  350    HH   TYR  46           HH       TYR  46   9.809   3.643  -5.341
  351    H    ASP  47           HN       ASP  47   3.620   6.381  -4.204
  352    HA   ASP  47           HA       ASP  47   4.270   8.644  -6.017
  353   1HB   ASP  47          HB2       ASP  47   3.586   8.205  -3.140
  354   2HB   ASP  47          HB1       ASP  47   4.552   9.626  -3.537
  355    H    ASP  48           HN       ASP  48   6.361   8.562  -6.760
  356    HA   ASP  48           HA       ASP  48   8.525   7.219  -5.398
  357   1HB   ASP  48          HB2       ASP  48   9.857   8.211  -7.220
  358   2HB   ASP  48          HB1       ASP  48   8.340   7.570  -7.846
  359    H    ALA  49           HN       ALA  49   7.218  10.454  -5.197
  360    HA   ALA  49           HA       ALA  49   9.410  11.967  -4.312
  361   1HB   ALA  49          HB1       ALA  49   7.336  13.031  -4.766
  362   2HB   ALA  49          HB2       ALA  49   7.543  13.201  -3.023
  363   3HB   ALA  49          HB3       ALA  49   6.461  11.966  -3.666
  364    H    THR  50           HN       THR  50   7.298   9.790  -2.438
  365    HA   THR  50           HA       THR  50   9.367   9.711  -0.293
  366    HB   THR  50           HB       THR  50   7.570  10.122   1.385
  367    HG1  THR  50           HG1      THR  50   5.732   9.565   0.396
  368   1HG2  THR  50          HG21      THR  50   7.416  12.496   1.031
  369   2HG2  THR  50          HG22      THR  50   7.638  12.307  -0.708
  370   3HG2  THR  50          HG23      THR  50   8.976  11.977   0.393
  371    H    LYS  51           HN       LYS  51   7.957   7.855  -2.415
  372    HA   LYS  51           HA       LYS  51   7.242   5.605  -2.516
  373   1HB   LYS  51          HB2       LYS  51   9.282   5.978  -0.473
  374   2HB   LYS  51          HB1       LYS  51   8.238   4.618  -0.066
  375   1HG   LYS  51          HG2       LYS  51   9.692   3.498  -1.441
  376   2HG   LYS  51          HG1       LYS  51   8.598   4.107  -2.685
  377   1HD   LYS  51          HD2       LYS  51  10.887   4.614  -3.344
  378   2HD   LYS  51          HD1       LYS  51  10.074   6.121  -2.919
  379   1HE   LYS  51          HE2       LYS  51  11.359   6.431  -1.030
  380   2HE   LYS  51          HE1       LYS  51  11.509   4.689  -0.723
  381   1HZ   LYS  51          HZ1       LYS  51  12.803   6.171  -2.952
  382   2HZ   LYS  51          HZ2       LYS  51  12.927   4.500  -2.672
  383   3HZ   LYS  51          HZ3       LYS  51  13.593   5.602  -1.564
  384    H    THR  52           HN       THR  52   4.960   5.827  -2.283
  385    HA   THR  52           HA       THR  52   3.876   4.854   0.282
  386    HB   THR  52           HB       THR  52   3.164   7.581  -0.848
  387    HG1  THR  52           HG1      THR  52   4.482   6.899   1.564
  388   1HG2  THR  52          HG21      THR  52   1.543   7.762   0.791
  389   2HG2  THR  52          HG22      THR  52   2.361   6.633   1.871
  390   3HG2  THR  52          HG23      THR  52   1.456   6.028   0.485
  391    H    PHE  53           HN       PHE  53   2.726   3.176  -0.664
  392    HA   PHE  53           HA       PHE  53   1.424   3.261  -3.226
  393   1HB   PHE  53          HB2       PHE  53   1.139   1.577  -0.723
  394   2HB   PHE  53          HB1       PHE  53   0.201   1.247  -2.179
  395    HD1  PHE  53           HD1      PHE  53   1.229   0.346  -4.158
  396    HD2  PHE  53           HD2      PHE  53   3.601   1.388  -0.737
  397    HE1  PHE  53           HE1      PHE  53   3.167  -0.860  -5.135
  398    HE2  PHE  53           HE2      PHE  53   5.539   0.183  -1.706
  399    HZ   PHE  53           HZ       PHE  53   5.322  -0.941  -3.909
  400    H    THR  54           HN       THR  54  -0.511   4.236  -3.768
  401    HA   THR  54           HA       THR  54  -2.296   5.101  -1.499
  402    HB   THR  54           HB       THR  54  -1.722   6.442  -4.157
  403    HG1  THR  54           HG1      THR  54   0.062   6.662  -2.931
  404   1HG2  THR  54          HG21      THR  54  -2.895   7.896  -1.846
  405   2HG2  THR  54          HG22      THR  54  -3.958   6.763  -2.681
  406   3HG2  THR  54          HG23      THR  54  -3.205   8.087  -3.572
  407    H    VAL  55           HN       VAL  55  -4.058   3.673  -1.602
  408    HA   VAL  55           HA       VAL  55  -5.313   3.237  -4.252
  409    HB   VAL  55           HB       VAL  55  -4.525   1.204  -2.998
  410   1HG1  VAL  55          HG11      VAL  55  -6.755   1.834  -1.079
  411   2HG1  VAL  55          HG12      VAL  55  -5.066   2.208  -0.725
  412   3HG1  VAL  55          HG13      VAL  55  -5.566   0.529  -0.961
  413   1HG2  VAL  55          HG21      VAL  55  -7.533   1.262  -3.113
  414   2HG2  VAL  55          HG22      VAL  55  -6.453  -0.087  -3.465
  415   3HG2  VAL  55          HG23      VAL  55  -6.546   1.281  -4.574
  416    H    THR  56           HN       THR  56  -7.776   3.084  -4.101
  417    HA   THR  56           HA       THR  56  -9.091   4.482  -1.882
  418    HB   THR  56           HB       THR  56  -8.746   5.684  -4.644
  419    HG1  THR  56           HG1      THR  56  -7.089   6.522  -3.697
  420   1HG2  THR  56          HG21      THR  56  -9.925   7.668  -3.420
  421   2HG2  THR  56          HG22      THR  56 -10.508   6.422  -2.317
  422   3HG2  THR  56          HG23      THR  56 -10.916   6.344  -4.031
  423    H    GLU  57           HN       GLU  57 -10.928   3.222  -1.719
  424    HA   GLU  57           HA       GLU  57 -12.004   1.562  -3.781
  425   1HB   GLU  57          HB2       GLU  57 -12.835   2.614  -1.114
  426   2HB   GLU  57          HB1       GLU  57 -14.094   1.906  -2.123
  427   1HG   GLU  57          HG2       GLU  57 -11.471   0.513  -1.538
  428   2HG   GLU  57          HG1       GLU  57 -12.929   0.269  -0.577
  Start of MODEL   36
    1   1H    MET   1          HT1       MET   1  17.865  -0.273   2.201
    2   2H    MET   1          HT2       MET   1  18.000  -1.167   3.639
    3   3H    MET   1          HT3       MET   1  17.305   0.382   3.661
    4    HA   MET   1           HA       MET   1  16.144  -1.919   2.175
    5   1HB   MET   1          HB2       MET   1  16.090  -1.023   5.008
    6   2HB   MET   1          HB1       MET   1  14.533  -1.475   4.314
    7   1HG   MET   1          HG2       MET   1  16.975  -3.234   4.048
    8   2HG   MET   1          HG1       MET   1  15.876  -3.359   5.421
    9   1HE   MET   1          HE1       MET   1  15.413  -6.270   2.622
   10   2HE   MET   1          HE2       MET   1  15.935  -6.002   4.284
   11   3HE   MET   1          HE3       MET   1  16.848  -5.292   2.955
   12    H    THR   2           HN       THR   2  13.809  -1.415   1.727
   13    HA   THR   2           HA       THR   2  13.382   1.528   1.317
   14    HB   THR   2           HB       THR   2  12.379  -0.823  -0.320
   15    HG1  THR   2           HG1      THR   2  14.170  -0.684  -1.402
   16   1HG2  THR   2          HG21      THR   2  11.970   0.996  -2.005
   17   2HG2  THR   2          HG22      THR   2  12.368   2.173  -0.752
   18   3HG2  THR   2          HG23      THR   2  10.964   1.122  -0.561
   19    H    THR   3           HN       THR   3  11.862   2.169   2.802
   20    HA   THR   3           HA       THR   3   9.764   0.312   3.679
   21    HB   THR   3           HB       THR   3  10.486   3.116   4.564
   22    HG1  THR   3           HG1      THR   3  11.476   1.893   6.305
   23   1HG2  THR   3          HG21      THR   3   8.731   0.951   5.741
   24   2HG2  THR   3          HG22      THR   3   8.261   2.587   5.280
   25   3HG2  THR   3          HG23      THR   3   9.310   2.331   6.674
   26    H    PHE   4           HN       PHE   4   8.382   0.308   1.798
   27    HA   PHE   4           HA       PHE   4   7.432   2.729   0.525
   28   1HB   PHE   4          HB2       PHE   4   6.422  -0.129   0.648
   29   2HB   PHE   4          HB1       PHE   4   5.757   1.091  -0.434
   30    HD1  PHE   4           HD1      PHE   4   8.587  -1.112   0.274
   31    HD2  PHE   4           HD2      PHE   4   7.147   2.047  -2.255
   32    HE1  PHE   4           HE1      PHE   4  10.410  -1.575  -1.340
   33    HE2  PHE   4           HE2      PHE   4   8.972   1.585  -3.870
   34    HZ   PHE   4           HZ       PHE   4  10.602  -0.228  -3.412
   35    H    LYS   5           HN       LYS   5   4.949   3.183   0.530
   36    HA   LYS   5           HA       LYS   5   3.751   2.781   3.241
   37   1HB   LYS   5          HB2       LYS   5   5.017   4.914   3.153
   38   2HB   LYS   5          HB1       LYS   5   4.060   5.413   1.758
   39   1HG   LYS   5          HG2       LYS   5   2.013   5.342   3.093
   40   2HG   LYS   5          HG1       LYS   5   2.914   4.740   4.485
   41   1HD   LYS   5          HD2       LYS   5   3.806   7.294   3.198
   42   2HD   LYS   5          HD1       LYS   5   2.386   7.326   4.245
   43   1HE   LYS   5          HE2       LYS   5   3.648   6.449   6.114
   44   2HE   LYS   5          HE1       LYS   5   5.057   6.143   5.078
   45   1HZ   LYS   5          HZ1       LYS   5   5.083   8.528   4.536
   46   2HZ   LYS   5          HZ2       LYS   5   5.339   8.246   6.192
   47   3HZ   LYS   5          HZ3       LYS   5   3.825   8.788   5.643
   48    H    LEU   6           HN       LEU   6   1.792   1.841   2.828
   49    HA   LEU   6           HA       LEU   6   0.364   2.402   0.282
   50   1HB   LEU   6          HB2       LEU   6   0.891   0.131   1.588
   51   2HB   LEU   6          HB1       LEU   6  -0.586   0.549   2.436
   52    HG   LEU   6           HG       LEU   6  -0.199  -0.444  -0.331
   53   1HD1  LEU   6          HD11      LEU   6  -1.409  -1.916   0.953
   54   2HD1  LEU   6          HD12      LEU   6  -2.744  -0.978   0.285
   55   3HD1  LEU   6          HD13      LEU   6  -2.158  -0.639   1.913
   56   1HD2  LEU   6          HD21      LEU   6  -0.979   1.697  -1.068
   57   2HD2  LEU   6          HD22      LEU   6  -2.145   1.812   0.250
   58   3HD2  LEU   6          HD23      LEU   6  -2.403   0.657  -1.061
   59    H    ILE   7           HN       ILE   7  -1.004   4.192   0.402
   60    HA   ILE   7           HA       ILE   7  -2.064   5.267   2.846
   61    HB   ILE   7           HB       ILE   7  -1.755   6.176   0.348
   62   1HG1  ILE   7          HG12      ILE   7  -3.439   7.977   0.916
   63   2HG1  ILE   7          HG11      ILE   7  -3.900   7.004   2.312
   64   1HG2  ILE   7          HG21      ILE   7  -3.756   4.519  -0.270
   65   2HG2  ILE   7          HG22      ILE   7  -3.569   6.078  -1.069
   66   3HG2  ILE   7          HG23      ILE   7  -4.726   5.896   0.248
   67   1HD1  ILE   7          HD11      ILE   7  -2.094   8.831   2.659
   68   2HD1  ILE   7          HD12      ILE   7  -1.017   7.722   1.811
   69   3HD1  ILE   7          HD13      ILE   7  -1.781   7.227   3.322
   70    H    ILE   8           HN       ILE   8  -4.619   5.370   3.149
   71    HA   ILE   8           HA       ILE   8  -5.808   2.707   2.471
   72    HB   ILE   8           HB       ILE   8  -5.789   4.093   5.176
   73   1HG1  ILE   8          HG12      ILE   8  -4.429   1.530   4.273
   74   2HG1  ILE   8          HG11      ILE   8  -3.604   3.072   4.495
   75   1HG2  ILE   8          HG21      ILE   8  -7.793   2.887   5.143
   76   2HG2  ILE   8          HG22      ILE   8  -6.668   1.697   5.793
   77   3HG2  ILE   8          HG23      ILE   8  -7.137   1.631   4.095
   78   1HD1  ILE   8          HD11      ILE   8  -3.574   2.862   6.753
   79   2HD1  ILE   8          HD12      ILE   8  -3.920   1.159   6.455
   80   3HD1  ILE   8          HD13      ILE   8  -5.237   2.277   6.810
   81    H    ASN   9           HN       ASN   9  -6.827   4.375   0.844
   82    HA   ASN   9           HA       ASN   9  -8.997   6.000   2.071
   83   1HB   ASN   9          HB2       ASN   9  -8.033   5.614  -0.784
   84   2HB   ASN   9          HB1       ASN   9  -9.272   6.765  -0.292
   85   1HD2  ASN   9          HD21      ASN   9  -6.579   7.361  -1.470
   86   2HD2  ASN   9          HD22      ASN   9  -5.791   8.344  -0.331
   87    H    GLY  10           HN       GLY  10  -9.393   3.340   2.575
   88   1HA   GLY  10          HA2       GLY  10 -11.381   2.431   0.537
   89   2HA   GLY  10          HA1       GLY  10 -10.528   1.355   1.648
   90    H    LYS  11           HN       LYS  11 -13.401   1.570   1.336
   91    HA   LYS  11           HA       LYS  11 -14.552   3.082   3.519
   92   1HB   LYS  11          HB2       LYS  11 -16.532   1.650   3.003
   93   2HB   LYS  11          HB1       LYS  11 -15.819   2.346   1.549
   94   1HG   LYS  11          HG2       LYS  11 -15.081   0.318   0.775
   95   2HG   LYS  11          HG1       LYS  11 -14.761  -0.303   2.393
   96   1HD   LYS  11          HD2       LYS  11 -17.541   0.103   1.256
   97   2HD   LYS  11          HD1       LYS  11 -16.686  -1.440   1.241
   98   1HE   LYS  11          HE2       LYS  11 -16.515  -0.451   3.910
   99   2HE   LYS  11          HE1       LYS  11 -18.203  -0.271   3.395
  100   1HZ   LYS  11          HZ1       LYS  11 -17.867  -2.498   4.202
  101   2HZ   LYS  11          HZ2       LYS  11 -16.536  -2.722   3.170
  102   3HZ   LYS  11          HZ3       LYS  11 -18.098  -2.558   2.523
  103    H    THR  12           HN       THR  12 -12.673   0.197   3.456
  104    HA   THR  12           HA       THR  12 -13.898  -1.008   5.847
  105    HB   THR  12           HB       THR  12 -11.287  -1.687   4.473
  106    HG1  THR  12           HG1      THR  12 -12.516  -2.943   3.079
  107   1HG2  THR  12          HG21      THR  12 -12.330  -2.738   6.709
  108   2HG2  THR  12          HG22      THR  12 -11.451  -3.717   5.535
  109   3HG2  THR  12          HG23      THR  12 -13.214  -3.699   5.524
  110    H    LEU  13           HN       LEU  13 -10.987   0.870   4.995
  111    HA   LEU  13           HA       LEU  13 -10.531   1.305   7.928
  112   1HB   LEU  13          HB2       LEU  13  -8.711   0.182   5.824
  113   2HB   LEU  13          HB1       LEU  13  -8.011   1.126   7.139
  114    HG   LEU  13           HG       LEU  13  -9.883  -1.216   7.570
  115   1HD1  LEU  13          HD11      LEU  13  -6.870  -1.155   7.891
  116   2HD1  LEU  13          HD12      LEU  13  -7.684  -1.833   6.482
  117   3HD1  LEU  13          HD13      LEU  13  -7.935  -2.549   8.074
  118   1HD2  LEU  13          HD21      LEU  13  -9.951   0.087   9.513
  119   2HD2  LEU  13          HD22      LEU  13  -8.283   0.630   9.325
  120   3HD2  LEU  13          HD23      LEU  13  -8.620  -1.014   9.866
  121    H    LYS  14           HN       LYS  14  -8.468   2.998   7.932
  122    HA   LYS  14           HA       LYS  14  -8.585   5.006   5.805
  123   1HB   LYS  14          HB2       LYS  14 -10.635   5.053   7.591
  124   2HB   LYS  14          HB1       LYS  14  -9.470   6.082   8.425
  125   1HG   LYS  14          HG2       LYS  14  -9.235   7.108   5.948
  126   2HG   LYS  14          HG1       LYS  14 -10.903   6.540   5.856
  127   1HD   LYS  14          HD2       LYS  14 -10.120   8.011   8.324
  128   2HD   LYS  14          HD1       LYS  14 -10.267   8.958   6.843
  129   1HE   LYS  14          HE2       LYS  14 -12.550   8.551   6.645
  130   2HE   LYS  14          HE1       LYS  14 -12.452   7.011   7.523
  131   1HZ   LYS  14          HZ1       LYS  14 -11.920   9.664   8.748
  132   2HZ   LYS  14          HZ2       LYS  14 -12.006   8.168   9.549
  133   3HZ   LYS  14          HZ3       LYS  14 -13.403   8.851   8.866
  134    H    GLY  15           HN       GLY  15  -6.568   5.909   5.770
  135   1HA   GLY  15          HA2       GLY  15  -5.036   7.289   7.358
  136   2HA   GLY  15          HA1       GLY  15  -4.915   5.770   8.244
  137    H    GLU  16           HN       GLU  16  -2.802   5.184   7.861
  138    HA   GLU  16           HA       GLU  16  -2.072   4.565   5.036
  139   1HB   GLU  16          HB2       GLU  16   0.131   5.671   5.423
  140   2HB   GLU  16          HB1       GLU  16  -1.210   6.809   5.545
  141   1HG   GLU  16          HG2       GLU  16  -1.099   6.852   7.920
  142   2HG   GLU  16          HG1       GLU  16  -0.084   5.411   7.976
  143    H    THR  17           HN       THR  17   0.097   3.285   5.068
  144    HA   THR  17           HA       THR  17   0.588   1.762   7.561
  145    HB   THR  17           HB       THR  17  -0.206   0.364   4.996
  146    HG1  THR  17           HG1      THR  17  -2.198   0.724   5.489
  147   1HG2  THR  17          HG21      THR  17  -0.119  -1.580   6.225
  148   2HG2  THR  17          HG22      THR  17  -0.548  -0.771   7.732
  149   3HG2  THR  17          HG23      THR  17   1.095  -0.648   7.101
  150    H    THR  18           HN       THR  18   2.655   0.786   7.546
  151    HA   THR  18           HA       THR  18   4.285   1.111   5.052
  152    HB   THR  18           HB       THR  18   6.127   1.846   6.613
  153    HG1  THR  18           HG1      THR  18   5.681   2.148   8.698
  154   1HG2  THR  18          HG21      THR  18   3.673   3.586   6.893
  155   2HG2  THR  18          HG22      THR  18   4.533   3.408   5.363
  156   3HG2  THR  18          HG23      THR  18   5.357   4.094   6.764
  157    H    THR  19           HN       THR  19   6.376  -0.217   5.259
  158    HA   THR  19           HA       THR  19   6.413  -2.455   7.138
  159    HB   THR  19           HB       THR  19   4.590  -3.106   5.612
  160    HG1  THR  19           HG1      THR  19   5.462  -4.967   5.973
  161   1HG2  THR  19          HG21      THR  19   6.546  -3.204   3.331
  162   2HG2  THR  19          HG22      THR  19   5.691  -1.703   3.688
  163   3HG2  THR  19          HG23      THR  19   4.783  -3.159   3.282
  164    H    GLU  20           HN       GLU  20   8.135  -4.148   6.189
  165    HA   GLU  20           HA       GLU  20  10.450  -2.518   5.227
  166   1HB   GLU  20          HB2       GLU  20  10.002  -4.882   6.993
  167   2HB   GLU  20          HB1       GLU  20  11.522  -4.828   6.098
  168   1HG   GLU  20          HG2       GLU  20  12.123  -2.721   7.064
  169   2HG   GLU  20          HG1       GLU  20  10.506  -2.492   7.730
  170    H    ALA  21           HN       ALA  21  10.352  -2.648   2.973
  171    HA   ALA  21           HA       ALA  21  10.404  -5.405   1.784
  172   1HB   ALA  21          HB1       ALA  21   9.376  -3.811  -0.183
  173   2HB   ALA  21          HB2       ALA  21   8.755  -3.000   1.256
  174   3HB   ALA  21          HB3       ALA  21   8.381  -4.700   0.971
  175    H    VAL  22           HN       VAL  22  12.121  -5.750   0.392
  176    HA   VAL  22           HA       VAL  22  14.322  -3.962   0.235
  177    HB   VAL  22           HB       VAL  22  15.084  -5.581  -1.482
  178   1HG1  VAL  22          HG11      VAL  22  15.575  -6.502   0.556
  179   2HG1  VAL  22          HG12      VAL  22  14.393  -7.696   0.020
  180   3HG1  VAL  22          HG13      VAL  22  13.905  -6.403   1.115
  181   1HG2  VAL  22          HG21      VAL  22  12.759  -5.811  -2.519
  182   2HG2  VAL  22          HG22      VAL  22  12.385  -6.907  -1.190
  183   3HG2  VAL  22          HG23      VAL  22  13.668  -7.308  -2.330
  184    H    ASP  23           HN       ASP  23  11.440  -4.271  -1.753
  185    HA   ASP  23           HA       ASP  23  11.874  -1.715  -3.034
  186   1HB   ASP  23          HB2       ASP  23  12.214  -2.649  -5.341
  187   2HB   ASP  23          HB1       ASP  23  13.560  -2.975  -4.254
  188    H    ALA  24           HN       ALA  24  10.228  -1.579  -5.017
  189    HA   ALA  24           HA       ALA  24   7.608  -1.948  -4.074
  190   1HB   ALA  24          HB1       ALA  24   8.805  -0.703  -6.157
  191   2HB   ALA  24          HB2       ALA  24   7.062  -0.960  -6.074
  192   3HB   ALA  24          HB3       ALA  24   8.073  -2.064  -7.007
  193    H    ALA  25           HN       ALA  25   9.695  -4.188  -5.786
  194    HA   ALA  25           HA       ALA  25   7.732  -6.051  -6.726
  195   1HB   ALA  25          HB1       ALA  25   9.757  -6.578  -7.626
  196   2HB   ALA  25          HB2       ALA  25   9.996  -7.525  -6.157
  197   3HB   ALA  25          HB3       ALA  25  10.637  -5.885  -6.264
  198    H    THR  26           HN       THR  26   9.054  -5.465  -3.534
  199    HA   THR  26           HA       THR  26   7.799  -7.979  -2.503
  200    HB   THR  26           HB       THR  26   9.738  -6.083  -1.151
  201    HG1  THR  26           HG1      THR  26  10.316  -8.459  -2.581
  202   1HG2  THR  26          HG21      THR  26  10.255  -8.098   0.196
  203   2HG2  THR  26          HG22      THR  26   9.017  -8.990  -0.688
  204   3HG2  THR  26          HG23      THR  26   8.560  -7.632   0.340
  205    H    ALA  27           HN       ALA  27   7.695  -4.470  -2.326
  206    HA   ALA  27           HA       ALA  27   6.150  -4.241   0.106
  207   1HB   ALA  27          HB1       ALA  27   7.431  -2.578  -1.739
  208   2HB   ALA  27          HB2       ALA  27   6.517  -2.046  -0.328
  209   3HB   ALA  27          HB3       ALA  27   5.726  -2.154  -1.901
  210    H    GLU  28           HN       GLU  28   5.215  -4.176  -3.349
  211    HA   GLU  28           HA       GLU  28   2.401  -3.875  -2.981
  212   1HB   GLU  28          HB2       GLU  28   3.776  -3.656  -5.093
  213   2HB   GLU  28          HB1       GLU  28   3.856  -5.417  -5.152
  214   1HG   GLU  28          HG2       GLU  28   1.487  -5.612  -5.408
  215   2HG   GLU  28          HG1       GLU  28   1.236  -3.914  -5.004
  216    H    LYS  29           HN       LYS  29   4.406  -6.830  -3.177
  217    HA   LYS  29           HA       LYS  29   2.315  -8.757  -3.160
  218   1HB   LYS  29          HB2       LYS  29   5.160  -8.689  -2.154
  219   2HB   LYS  29          HB1       LYS  29   4.181 -10.151  -2.037
  220   1HG   LYS  29          HG2       LYS  29   3.723  -9.920  -4.520
  221   2HG   LYS  29          HG1       LYS  29   4.951  -8.653  -4.551
  222   1HD   LYS  29          HD2       LYS  29   6.672 -10.132  -4.316
  223   2HD   LYS  29          HD1       LYS  29   5.771 -11.159  -3.201
  224   1HE   LYS  29          HE2       LYS  29   4.366 -11.531  -5.540
  225   2HE   LYS  29          HE1       LYS  29   6.033 -11.369  -6.131
  226   1HZ   LYS  29          HZ1       LYS  29   5.686 -13.637  -5.495
  227   2HZ   LYS  29          HZ2       LYS  29   5.069 -13.179  -3.980
  228   3HZ   LYS  29          HZ3       LYS  29   6.709 -12.924  -4.345
  229    H    VAL  30           HN       VAL  30   3.858  -7.012  -0.477
  230    HA   VAL  30           HA       VAL  30   2.357  -8.509   1.567
  231    HB   VAL  30           HB       VAL  30   4.137  -6.047   1.679
  232   1HG1  VAL  30          HG11      VAL  30   3.030  -5.982   3.723
  233   2HG1  VAL  30          HG12      VAL  30   4.375  -7.053   4.116
  234   3HG1  VAL  30          HG13      VAL  30   2.784  -7.728   3.762
  235   1HG2  VAL  30          HG21      VAL  30   4.766  -8.950   2.304
  236   2HG2  VAL  30          HG22      VAL  30   5.897  -7.597   2.344
  237   3HG2  VAL  30          HG23      VAL  30   5.220  -8.135   0.807
  238    H    PHE  31           HN       PHE  31   2.321  -5.226   0.155
  239    HA   PHE  31           HA       PHE  31   0.156  -4.263   1.828
  240   1HB   PHE  31          HB2       PHE  31   1.584  -3.388  -0.673
  241   2HB   PHE  31          HB1       PHE  31   0.146  -2.519  -0.140
  242    HD1  PHE  31           HD1      PHE  31   0.298  -2.499   2.750
  243    HD2  PHE  31           HD2      PHE  31   3.474  -2.130  -0.122
  244    HE1  PHE  31           HE1      PHE  31   1.663  -1.274   4.417
  245    HE2  PHE  31           HE2      PHE  31   4.836  -0.904   1.547
  246    HZ   PHE  31           HZ       PHE  31   3.933  -0.477   3.816
  247    H    LYS  32           HN       LYS  32   0.330  -5.665  -1.445
  248    HA   LYS  32           HA       LYS  32  -2.410  -5.262  -2.183
  249   1HB   LYS  32          HB2       LYS  32  -0.573  -5.927  -3.715
  250   2HB   LYS  32          HB1       LYS  32  -0.453  -7.486  -2.896
  251   1HG   LYS  32          HG2       LYS  32  -2.696  -8.090  -3.590
  252   2HG   LYS  32          HG1       LYS  32  -2.972  -6.478  -4.253
  253   1HD   LYS  32          HD2       LYS  32  -1.557  -6.835  -6.072
  254   2HD   LYS  32          HD1       LYS  32  -0.645  -8.097  -5.243
  255   1HE   LYS  32          HE2       LYS  32  -3.107  -9.254  -5.289
  256   2HE   LYS  32          HE1       LYS  32  -3.168  -8.309  -6.790
  257   1HZ   LYS  32          HZ1       LYS  32  -0.911  -9.180  -7.294
  258   2HZ   LYS  32          HZ2       LYS  32  -2.116 -10.378  -7.283
  259   3HZ   LYS  32          HZ3       LYS  32  -1.054 -10.225  -5.966
  260    H    GLN  33           HN       GLN  33  -0.761  -7.996  -0.574
  261    HA   GLN  33           HA       GLN  33  -3.055  -9.675  -0.242
  262   1HB   GLN  33          HB2       GLN  33  -0.651 -10.324   0.010
  263   2HB   GLN  33          HB1       GLN  33  -0.585  -9.377   1.497
  264   1HG   GLN  33          HG2       GLN  33  -0.978 -11.647   2.162
  265   2HG   GLN  33          HG1       GLN  33  -2.515 -10.800   2.350
  266   1HE2  GLN  33          HE21      GLN  33  -4.259 -11.358   0.899
  267   2HE2  GLN  33          HE22      GLN  33  -4.164 -12.676  -0.166
  268    H    TYR  34           HN       TYR  34  -1.766  -7.007   1.590
  269    HA   TYR  34           HA       TYR  34  -3.415  -7.274   3.947
  270   1HB   TYR  34          HB2       TYR  34  -1.537  -5.928   4.248
  271   2HB   TYR  34          HB1       TYR  34  -1.639  -5.242   2.631
  272    HD1  TYR  34           HD1      TYR  34  -3.090  -5.140   6.043
  273    HD2  TYR  34           HD2      TYR  34  -2.802  -3.191   2.233
  274    HE1  TYR  34           HE1      TYR  34  -4.198  -3.127   6.990
  275    HE2  TYR  34           HE2      TYR  34  -3.908  -1.178   3.167
  276    HH   TYR  34           HH       TYR  34  -4.417  -0.776   6.560
  277    H    ALA  35           HN       ALA  35  -3.638  -5.042   1.153
  278    HA   ALA  35           HA       ALA  35  -6.220  -3.986   1.755
  279   1HB   ALA  35          HB1       ALA  35  -6.022  -3.812  -0.957
  280   2HB   ALA  35          HB2       ALA  35  -4.341  -4.150  -0.540
  281   3HB   ALA  35          HB3       ALA  35  -5.157  -2.739   0.145
  282    H    ASN  36           HN       ASN  36  -5.234  -6.815  -0.169
  283    HA   ASN  36           HA       ASN  36  -7.724  -7.501  -1.309
  284   1HB   ASN  36          HB2       ASN  36  -5.162  -8.827  -0.612
  285   2HB   ASN  36          HB1       ASN  36  -6.529  -9.906  -0.893
  286   1HD2  ASN  36          HD21      ASN  36  -4.189  -9.601  -2.668
  287   2HD2  ASN  36          HD22      ASN  36  -4.781  -9.042  -4.157
  288    H    ASP  37           HN       ASP  37  -6.367  -8.322   1.878
  289    HA   ASP  37           HA       ASP  37  -8.515 -10.081   2.687
  290   1HB   ASP  37          HB2       ASP  37  -6.218 -10.017   3.648
  291   2HB   ASP  37          HB1       ASP  37  -6.564  -8.423   4.321
  292    H    ASN  38           HN       ASN  38  -7.843  -6.621   3.253
  293    HA   ASN  38           HA       ASN  38 -10.238  -6.186   4.857
  294   1HB   ASN  38          HB2       ASN  38  -8.190  -4.445   3.466
  295   2HB   ASN  38          HB1       ASN  38  -9.538  -3.754   4.370
  296   1HD2  ASN  38          HD21      ASN  38  -6.679  -5.885   4.726
  297   2HD2  ASN  38          HD22      ASN  38  -6.518  -5.653   6.400
  298    H    GLY  39           HN       GLY  39  -9.425  -6.007   1.437
  299   1HA   GLY  39          HA2       GLY  39 -11.108  -6.173  -0.296
  300   2HA   GLY  39          HA1       GLY  39 -12.291  -5.509   0.831
  301    H    ILE  40           HN       ILE  40  -9.070  -4.390  -0.275
  302    HA   ILE  40           HA       ILE  40 -10.311  -1.716  -0.798
  303    HB   ILE  40           HB       ILE  40  -7.463  -2.583  -0.198
  304   1HG1  ILE  40          HG12      ILE  40  -9.472  -1.001   1.438
  305   2HG1  ILE  40          HG11      ILE  40  -9.083  -2.700   1.697
  306   1HG2  ILE  40          HG21      ILE  40  -8.670   0.036  -1.018
  307   2HG2  ILE  40          HG22      ILE  40  -7.094  -0.643  -1.434
  308   3HG2  ILE  40          HG23      ILE  40  -7.363   0.054   0.165
  309   1HD1  ILE  40          HD11      ILE  40  -7.855  -0.886   3.127
  310   2HD1  ILE  40          HD12      ILE  40  -6.884  -0.645   1.673
  311   3HD1  ILE  40          HD13      ILE  40  -6.917  -2.223   2.459
  312    H    ASP  41           HN       ASP  41 -10.910  -3.202  -2.882
  313    HA   ASP  41           HA       ASP  41  -8.743  -3.325  -4.879
  314   1HB   ASP  41          HB2       ASP  41 -10.584  -4.217  -6.296
  315   2HB   ASP  41          HB1       ASP  41 -10.518  -5.041  -4.740
  316    H    GLY  42           HN       GLY  42  -8.729  -0.772  -4.167
  317   1HA   GLY  42          HA2       GLY  42 -10.634   0.829  -5.728
  318   2HA   GLY  42          HA1       GLY  42  -9.355   1.447  -4.681
  319    H    GLU  43           HN       GLU  43  -8.278   2.782  -6.047
  320    HA   GLU  43           HA       GLU  43  -7.221   1.627  -8.562
  321   1HB   GLU  43          HB2       GLU  43  -7.150   4.024  -9.327
  322   2HB   GLU  43          HB1       GLU  43  -8.777   3.456  -8.967
  323   1HG   GLU  43          HG2       GLU  43  -7.571   4.529  -6.563
  324   2HG   GLU  43          HG1       GLU  43  -7.455   5.710  -7.863
  325    H    TRP  44           HN       TRP  44  -5.240   0.892  -7.890
  326    HA   TRP  44           HA       TRP  44  -3.615   2.203  -5.937
  327   1HB   TRP  44          HB2       TRP  44  -3.183   0.025  -7.973
  328   2HB   TRP  44          HB1       TRP  44  -1.917   0.526  -6.847
  329    HD1  TRP  44           HD1      TRP  44  -5.574  -0.716  -6.781
  330    HE1  TRP  44           HE1      TRP  44  -5.937  -2.010  -4.578
  331    HE3  TRP  44           HE3      TRP  44  -1.027   0.010  -4.566
  332    HZ2  TRP  44           HZ2      TRP  44  -4.491  -2.639  -2.198
  333    HZ3  TRP  44           HZ3      TRP  44  -0.553  -0.945  -2.328
  334    HH2  TRP  44           HH2      TRP  44  -2.278  -2.274  -1.146
  335    H    THR  45           HN       THR  45  -1.864   3.491  -6.156
  336    HA   THR  45           HA       THR  45  -0.776   4.187  -8.811
  337    HB   THR  45           HB       THR  45  -1.068   6.679  -7.946
  338    HG1  THR  45           HG1      THR  45  -3.351   5.412  -6.846
  339   1HG2  THR  45          HG21      THR  45  -3.077   6.868  -9.295
  340   2HG2  THR  45          HG22      THR  45  -3.413   5.148  -9.098
  341   3HG2  THR  45          HG23      THR  45  -2.011   5.671 -10.031
  342    H    TYR  46           HN       TYR  46   1.400   4.442  -8.565
  343    HA   TYR  46           HA       TYR  46   2.469   4.545  -5.781
  344   1HB   TYR  46          HB2       TYR  46   3.115   2.606  -7.026
  345   2HB   TYR  46          HB1       TYR  46   3.449   3.548  -8.472
  346    HD1  TYR  46           HD1      TYR  46   5.536   4.734  -8.750
  347    HD2  TYR  46           HD2      TYR  46   4.699   2.613  -5.110
  348    HE1  TYR  46           HE1      TYR  46   7.919   4.912  -8.096
  349    HE2  TYR  46           HE2      TYR  46   7.077   2.789  -4.457
  350    HH   TYR  46           HH       TYR  46   9.500   3.475  -6.522
  351    H    ASP  47           HN       ASP  47   3.603   6.334  -5.127
  352    HA   ASP  47           HA       ASP  47   4.208   8.458  -7.147
  353   1HB   ASP  47          HB2       ASP  47   3.557   8.367  -4.206
  354   2HB   ASP  47          HB1       ASP  47   4.365   9.779  -4.887
  355    H    ASP  48           HN       ASP  48   6.337   8.549  -7.721
  356    HA   ASP  48           HA       ASP  48   8.433   7.170  -6.260
  357   1HB   ASP  48          HB2       ASP  48   8.072   7.887  -8.803
  358   2HB   ASP  48          HB1       ASP  48   8.977   9.309  -8.281
  359    H    ALA  49           HN       ALA  49   7.109  10.402  -6.126
  360    HA   ALA  49           HA       ALA  49   9.247  11.960  -5.215
  361   1HB   ALA  49          HB1       ALA  49   6.297  11.886  -4.903
  362   2HB   ALA  49          HB2       ALA  49   7.331  13.191  -5.483
  363   3HB   ALA  49          HB3       ALA  49   7.166  12.900  -3.751
  364    H    THR  50           HN       THR  50   7.230   9.683  -3.370
  365    HA   THR  50           HA       THR  50   9.299   9.650  -1.229
  366    HB   THR  50           HB       THR  50   7.502   9.988   0.463
  367    HG1  THR  50           HG1      THR  50   5.477  10.205  -0.143
  368   1HG2  THR  50          HG21      THR  50   8.842  11.896  -0.538
  369   2HG2  THR  50          HG22      THR  50   7.285  12.356   0.150
  370   3HG2  THR  50          HG23      THR  50   7.466  12.202  -1.598
  371    H    LYS  51           HN       LYS  51   7.864   7.796  -3.375
  372    HA   LYS  51           HA       LYS  51   7.180   5.538  -3.497
  373   1HB   LYS  51          HB2       LYS  51   9.359   5.905  -1.640
  374   2HB   LYS  51          HB1       LYS  51   8.343   4.581  -1.073
  375   1HG   LYS  51          HG2       LYS  51   9.601   3.354  -2.534
  376   2HG   LYS  51          HG1       LYS  51   8.453   3.986  -3.715
  377   1HD   LYS  51          HD2       LYS  51  10.728   4.350  -4.531
  378   2HD   LYS  51          HD1       LYS  51   9.997   5.905  -4.132
  379   1HE   LYS  51          HE2       LYS  51  11.369   6.230  -2.290
  380   2HE   LYS  51          HE1       LYS  51  11.544   4.490  -1.986
  381   1HZ   LYS  51          HZ1       LYS  51  13.566   5.383  -2.960
  382   2HZ   LYS  51          HZ2       LYS  51  12.692   5.981  -4.288
  383   3HZ   LYS  51          HZ3       LYS  51  12.823   4.305  -4.038
  384    H    THR  52           HN       THR  52   4.899   5.785  -3.120
  385    HA   THR  52           HA       THR  52   3.993   4.746  -0.502
  386    HB   THR  52           HB       THR  52   3.191   7.454  -1.617
  387    HG1  THR  52           HG1      THR  52   4.271   8.212   0.213
  388   1HG2  THR  52          HG21      THR  52   1.867   7.690   0.424
  389   2HG2  THR  52          HG22      THR  52   2.371   6.089   0.964
  390   3HG2  THR  52          HG23      THR  52   1.343   6.256  -0.459
  391    H    PHE  53           HN       PHE  53   2.823   3.026  -1.354
  392    HA   PHE  53           HA       PHE  53   1.382   3.016  -3.837
  393   1HB   PHE  53          HB2       PHE  53   1.181   1.437  -1.255
  394   2HB   PHE  53          HB1       PHE  53   0.228   1.038  -2.682
  395    HD1  PHE  53           HD1      PHE  53   1.263   0.120  -4.674
  396    HD2  PHE  53           HD2      PHE  53   3.618   1.191  -1.251
  397    HE1  PHE  53           HE1      PHE  53   3.193  -1.128  -5.615
  398    HE2  PHE  53           HE2      PHE  53   5.550  -0.056  -2.184
  399    HZ   PHE  53           HZ       PHE  53   5.336  -1.217  -4.369
  400    H    THR  54           HN       THR  54  -0.605   3.951  -4.315
  401    HA   THR  54           HA       THR  54  -2.257   4.879  -1.977
  402    HB   THR  54           HB       THR  54  -1.825   6.148  -4.694
  403    HG1  THR  54           HG1      THR  54  -0.715   7.701  -3.355
  404   1HG2  THR  54          HG21      THR  54  -2.913   7.734  -2.460
  405   2HG2  THR  54          HG22      THR  54  -3.997   6.476  -3.054
  406   3HG2  THR  54          HG23      THR  54  -3.388   7.708  -4.158
  407    H    VAL  55           HN       VAL  55  -3.995   3.456  -1.907
  408    HA   VAL  55           HA       VAL  55  -5.444   2.912  -4.432
  409    HB   VAL  55           HB       VAL  55  -4.533   0.926  -3.186
  410   1HG1  VAL  55          HG11      VAL  55  -5.399   0.307  -1.045
  411   2HG1  VAL  55          HG12      VAL  55  -6.586   1.622  -1.098
  412   3HG1  VAL  55          HG13      VAL  55  -4.870   1.990  -0.906
  413   1HG2  VAL  55          HG21      VAL  55  -6.534  -0.388  -3.348
  414   2HG2  VAL  55          HG22      VAL  55  -6.627   0.854  -4.597
  415   3HG2  VAL  55          HG23      VAL  55  -7.549   1.034  -3.104
  416    H    THR  56           HN       THR  56  -7.878   2.751  -4.072
  417    HA   THR  56           HA       THR  56  -9.028   4.191  -1.793
  418    HB   THR  56           HB       THR  56  -8.924   5.335  -4.598
  419    HG1  THR  56           HG1      THR  56  -7.481   6.678  -3.815
  420   1HG2  THR  56          HG21      THR  56  -9.955   7.056  -2.461
  421   2HG2  THR  56          HG22      THR  56 -10.976   5.649  -2.752
  422   3HG2  THR  56          HG23      THR  56 -10.607   6.758  -4.072
  423    H    GLU  57           HN       GLU  57 -10.742   2.788  -1.473
  424    HA   GLU  57           HA       GLU  57 -11.991   1.177  -3.484
  425   1HB   GLU  57          HB2       GLU  57 -12.888   2.184  -0.766
  426   2HB   GLU  57          HB1       GLU  57 -13.747   0.940  -1.676
  427   1HG   GLU  57          HG2       GLU  57 -11.557  -0.347  -1.764
  428   2HG   GLU  57          HG1       GLU  57 -10.922   0.815  -0.599
  Start of MODEL   37
    1   1H    MET   1          HT1       MET   1  17.257  -1.290   1.333
    2   2H    MET   1          HT2       MET   1  17.556  -2.669   2.278
    3   3H    MET   1          HT3       MET   1  17.199  -1.186   3.025
    4    HA   MET   1           HA       MET   1  15.361  -2.934   1.480
    5   1HB   MET   1          HB2       MET   1  15.625  -1.875   4.305
    6   2HB   MET   1          HB1       MET   1  14.139  -2.623   3.718
    7   1HG   MET   1          HG2       MET   1  15.326  -4.686   3.202
    8   2HG   MET   1          HG1       MET   1  16.865  -3.947   3.644
    9   1HE   MET   1          HE1       MET   1  16.977  -6.255   6.162
   10   2HE   MET   1          HE2       MET   1  17.669  -4.704   6.628
   11   3HE   MET   1          HE3       MET   1  17.710  -5.208   4.940
   12    H    THR   2           HN       THR   2  13.012  -1.846   2.120
   13    HA   THR   2           HA       THR   2  13.065   1.091   1.699
   14    HB   THR   2           HB       THR   2  11.636  -0.787  -0.201
   15    HG1  THR   2           HG1      THR   2  13.391  -0.196  -1.619
   16   1HG2  THR   2          HG21      THR   2  10.645   1.345  -0.316
   17   2HG2  THR   2          HG22      THR   2  11.835   1.374  -1.619
   18   3HG2  THR   2          HG23      THR   2  12.186   2.172  -0.085
   19    H    THR   3           HN       THR   3  11.689   1.690   3.329
   20    HA   THR   3           HA       THR   3   9.449  -0.005   4.126
   21    HB   THR   3           HB       THR   3  10.882   1.073   5.792
   22    HG1  THR   3           HG1      THR   3   8.624   0.817   6.211
   23   1HG2  THR   3          HG21      THR   3   9.985   3.791   5.552
   24   2HG2  THR   3          HG22      THR   3  10.704   3.291   4.021
   25   3HG2  THR   3          HG23      THR   3  11.635   3.172   5.513
   26    H    PHE   4           HN       PHE   4   8.159   0.216   2.138
   27    HA   PHE   4           HA       PHE   4   7.237   2.770   1.146
   28   1HB   PHE   4          HB2       PHE   4   6.207  -0.075   0.949
   29   2HB   PHE   4          HB1       PHE   4   5.534   1.262   0.021
   30    HD1  PHE   4           HD1      PHE   4   8.260  -1.109   0.341
   31    HD2  PHE   4           HD2      PHE   4   7.011   2.516  -1.593
   32    HE1  PHE   4           HE1      PHE   4  10.059  -1.388  -1.342
   33    HE2  PHE   4           HE2      PHE   4   8.811   2.238  -3.277
   34    HZ   PHE   4           HZ       PHE   4  10.334   0.284  -3.150
   35    H    LYS   5           HN       LYS   5   4.847   3.383   1.230
   36    HA   LYS   5           HA       LYS   5   3.612   2.702   3.880
   37   1HB   LYS   5          HB2       LYS   5   4.390   5.293   2.622
   38   2HB   LYS   5          HB1       LYS   5   2.885   5.270   3.541
   39   1HG   LYS   5          HG2       LYS   5   3.964   4.685   5.542
   40   2HG   LYS   5          HG1       LYS   5   5.392   4.078   4.704
   41   1HD   LYS   5          HD2       LYS   5   6.221   6.225   4.281
   42   2HD   LYS   5          HD1       LYS   5   4.634   6.976   4.456
   43   1HE   LYS   5          HE2       LYS   5   4.807   6.092   6.940
   44   2HE   LYS   5          HE1       LYS   5   6.549   6.091   6.596
   45   1HZ   LYS   5          HZ1       LYS   5   6.241   8.375   5.685
   46   2HZ   LYS   5          HZ2       LYS   5   5.982   8.259   7.360
   47   3HZ   LYS   5          HZ3       LYS   5   4.660   8.363   6.298
   48    H    LEU   6           HN       LEU   6   1.704   1.678   3.389
   49    HA   LEU   6           HA       LEU   6   0.249   2.348   0.889
   50   1HB   LEU   6          HB2       LEU   6   0.849   0.013   2.036
   51   2HB   LEU   6          HB1       LEU   6  -0.632   0.330   2.922
   52    HG   LEU   6           HG       LEU   6  -0.248  -0.483   0.100
   53   1HD1  LEU   6          HD11      LEU   6  -2.797  -1.069   0.711
   54   2HD1  LEU   6          HD12      LEU   6  -2.169  -0.855   2.344
   55   3HD1  LEU   6          HD13      LEU   6  -1.441  -2.049   1.269
   56   1HD2  LEU   6          HD21      LEU   6  -2.468   0.624  -0.567
   57   2HD2  LEU   6          HD22      LEU   6  -1.063   1.688  -0.513
   58   3HD2  LEU   6          HD23      LEU   6  -2.231   1.704   0.809
   59    H    ILE   7           HN       ILE   7  -1.108   4.140   1.157
   60    HA   ILE   7           HA       ILE   7  -2.235   4.960   3.669
   61    HB   ILE   7           HB       ILE   7  -1.875   6.123   1.288
   62   1HG1  ILE   7          HG12      ILE   7  -3.621   7.828   1.995
   63   2HG1  ILE   7          HG11      ILE   7  -4.059   6.713   3.290
   64   1HG2  ILE   7          HG21      ILE   7  -3.844   4.526   0.444
   65   2HG2  ILE   7          HG22      ILE   7  -3.651   6.164  -0.178
   66   3HG2  ILE   7          HG23      ILE   7  -4.839   5.834   1.081
   67   1HD1  ILE   7          HD11      ILE   7  -1.929   6.880   4.310
   68   2HD1  ILE   7          HD12      ILE   7  -2.315   8.536   3.842
   69   3HD1  ILE   7          HD13      ILE   7  -1.201   7.580   2.865
   70    H    ILE   8           HN       ILE   8  -4.745   4.986   4.005
   71    HA   ILE   8           HA       ILE   8  -5.914   2.403   3.031
   72    HB   ILE   8           HB       ILE   8  -5.987   3.594   5.821
   73   1HG1  ILE   8          HG12      ILE   8  -4.648   1.050   4.862
   74   2HG1  ILE   8          HG11      ILE   8  -3.791   2.581   5.049
   75   1HG2  ILE   8          HG21      ILE   8  -7.223   1.134   4.584
   76   2HG2  ILE   8          HG22      ILE   8  -8.012   2.394   5.533
   77   3HG2  ILE   8          HG23      ILE   8  -6.925   1.249   6.318
   78   1HD1  ILE   8          HD11      ILE   8  -5.006   2.462   7.457
   79   2HD1  ILE   8          HD12      ILE   8  -3.415   1.763   7.158
   80   3HD1  ILE   8          HD13      ILE   8  -4.849   0.737   7.128
   81    H    ASN   9           HN       ASN   9  -6.886   4.139   1.482
   82    HA   ASN   9           HA       ASN   9  -9.089   5.703   2.728
   83   1HB   ASN   9          HB2       ASN   9  -7.381   5.845   0.377
   84   2HB   ASN   9          HB1       ASN   9  -9.076   5.967  -0.090
   85   1HD2  ASN   9          HD21      ASN   9  -6.757   8.046   0.235
   86   2HD2  ASN   9          HD22      ASN   9  -7.480   9.288   1.137
   87    H    GLY  10           HN       GLY  10  -9.471   2.996   3.008
   88   1HA   GLY  10          HA2       GLY  10 -11.317   2.172   0.823
   89   2HA   GLY  10          HA1       GLY  10 -10.628   1.091   2.038
   90    H    LYS  11           HN       LYS  11 -13.397   1.224   1.470
   91    HA   LYS  11           HA       LYS  11 -14.741   2.837   3.504
   92   1HB   LYS  11          HB2       LYS  11 -16.721   1.603   2.669
   93   2HB   LYS  11          HB1       LYS  11 -15.754   2.230   1.337
   94   1HG   LYS  11          HG2       LYS  11 -15.736   0.126   0.512
   95   2HG   LYS  11          HG1       LYS  11 -14.639  -0.283   1.830
   96   1HD   LYS  11          HD2       LYS  11 -16.531  -0.897   3.256
   97   2HD   LYS  11          HD1       LYS  11 -17.665  -0.413   1.995
   98   1HE   LYS  11          HE2       LYS  11 -17.162  -2.253   0.647
   99   2HE   LYS  11          HE1       LYS  11 -15.547  -2.455   1.355
  100   1HZ   LYS  11          HZ1       LYS  11 -16.513  -3.154   3.411
  101   2HZ   LYS  11          HZ2       LYS  11 -17.195  -4.100   2.176
  102   3HZ   LYS  11          HZ3       LYS  11 -18.082  -2.822   2.860
  103    H    THR  12           HN       THR  12 -12.852   0.055   3.752
  104    HA   THR  12           HA       THR  12 -14.515  -1.146   5.917
  105    HB   THR  12           HB       THR  12 -11.959  -2.165   4.652
  106    HG1  THR  12           HG1      THR  12 -13.151  -2.233   2.921
  107   1HG2  THR  12          HG21      THR  12 -14.283  -3.659   5.886
  108   2HG2  THR  12          HG22      THR  12 -12.843  -3.191   6.790
  109   3HG2  THR  12          HG23      THR  12 -12.708  -4.312   5.435
  110    H    LEU  13           HN       LEU  13 -11.299   0.259   5.265
  111    HA   LEU  13           HA       LEU  13 -10.940   0.563   8.230
  112   1HB   LEU  13          HB2       LEU  13  -9.428  -0.997   6.301
  113   2HB   LEU  13          HB1       LEU  13  -8.401   0.188   7.103
  114    HG   LEU  13           HG       LEU  13  -8.448  -1.910   8.369
  115   1HD1  LEU  13          HD11      LEU  13  -8.452   0.436   9.479
  116   2HD1  LEU  13          HD12      LEU  13  -8.750  -0.973  10.496
  117   3HD1  LEU  13          HD13      LEU  13 -10.099   0.028   9.961
  118   1HD2  LEU  13          HD21      LEU  13 -11.001  -2.197   7.553
  119   2HD2  LEU  13          HD22      LEU  13 -11.282  -1.550   9.169
  120   3HD2  LEU  13          HD23      LEU  13 -10.354  -3.034   8.964
  121    H    LYS  14           HN       LYS  14  -8.961   2.140   8.580
  122    HA   LYS  14           HA       LYS  14  -8.625   4.178   6.474
  123   1HB   LYS  14          HB2       LYS  14 -10.797   4.345   8.142
  124   2HB   LYS  14          HB1       LYS  14  -9.607   5.297   9.030
  125   1HG   LYS  14          HG2       LYS  14  -9.158   6.341   6.627
  126   2HG   LYS  14          HG1       LYS  14 -10.812   5.800   6.337
  127   1HD   LYS  14          HD2       LYS  14 -11.582   7.043   8.313
  128   2HD   LYS  14          HD1       LYS  14  -9.929   7.562   8.642
  129   1HE   LYS  14          HE2       LYS  14 -10.963   9.386   7.466
  130   2HE   LYS  14          HE1       LYS  14  -9.947   8.565   6.264
  131   1HZ   LYS  14          HZ1       LYS  14 -12.285   8.955   5.526
  132   2HZ   LYS  14          HZ2       LYS  14 -12.798   7.889   6.745
  133   3HZ   LYS  14          HZ3       LYS  14 -11.805   7.329   5.485
  134    H    GLY  15           HN       GLY  15  -6.651   5.225   6.748
  135   1HA   GLY  15          HA2       GLY  15  -5.177   6.244   8.623
  136   2HA   GLY  15          HA1       GLY  15  -5.140   4.593   9.241
  137    H    GLU  16           HN       GLU  16  -2.828   4.519   8.934
  138    HA   GLU  16           HA       GLU  16  -2.056   3.933   6.110
  139   1HB   GLU  16          HB2       GLU  16  -1.526   6.301   6.671
  140   2HB   GLU  16          HB1       GLU  16  -0.556   5.741   8.034
  141   1HG   GLU  16          HG2       GLU  16   0.874   4.455   6.457
  142   2HG   GLU  16          HG1       GLU  16  -0.064   5.102   5.110
  143    H    THR  17           HN       THR  17  -0.114   2.583   5.989
  144    HA   THR  17           HA       THR  17   0.829   1.388   8.553
  145    HB   THR  17           HB       THR  17  -1.083   0.050   7.786
  146    HG1  THR  17           HG1      THR  17   0.571  -1.139   8.659
  147   1HG2  THR  17          HG21      THR  17  -0.768  -1.180   5.547
  148   2HG2  THR  17          HG22      THR  17   0.447   0.046   5.182
  149   3HG2  THR  17          HG23      THR  17  -1.228   0.520   5.465
  150    H    THR  18           HN       THR  18   2.795   0.011   8.174
  151    HA   THR  18           HA       THR  18   4.257   0.692   5.650
  152    HB   THR  18           HB       THR  18   6.257   1.010   7.252
  153    HG1  THR  18           HG1      THR  18   5.243   0.107   9.071
  154   1HG2  THR  18          HG21      THR  18   4.217   3.099   7.842
  155   2HG2  THR  18          HG22      THR  18   4.576   2.779   6.145
  156   3HG2  THR  18          HG23      THR  18   5.866   3.274   7.241
  157    H    THR  19           HN       THR  19   6.372  -0.695   5.600
  158    HA   THR  19           HA       THR  19   6.294  -3.244   7.055
  159    HB   THR  19           HB       THR  19   4.534  -3.538   5.361
  160    HG1  THR  19           HG1      THR  19   5.281  -5.438   4.677
  161   1HG2  THR  19          HG21      THR  19   6.665  -3.094   3.262
  162   2HG2  THR  19          HG22      THR  19   5.565  -1.818   3.782
  163   3HG2  THR  19          HG23      THR  19   4.928  -3.274   3.019
  164    H    GLU  20           HN       GLU  20   7.891  -4.781   5.475
  165    HA   GLU  20           HA       GLU  20  10.306  -3.074   4.959
  166   1HB   GLU  20          HB2       GLU  20  11.600  -5.006   5.865
  167   2HB   GLU  20          HB1       GLU  20  10.480  -4.337   7.049
  168   1HG   GLU  20          HG2       GLU  20   9.068  -6.339   5.571
  169   2HG   GLU  20          HG1       GLU  20  10.620  -7.024   6.043
  170    H    ALA  21           HN       ALA  21  10.317  -3.030   2.718
  171    HA   ALA  21           HA       ALA  21  10.446  -5.677   1.314
  172   1HB   ALA  21          HB1       ALA  21   8.307  -4.019   1.225
  173   2HB   ALA  21          HB2       ALA  21   8.790  -5.022  -0.143
  174   3HB   ALA  21          HB3       ALA  21   9.269  -3.326  -0.080
  175    H    VAL  22           HN       VAL  22  12.014  -5.773  -0.317
  176    HA   VAL  22           HA       VAL  22  14.229  -3.973  -0.260
  177    HB   VAL  22           HB       VAL  22  14.303  -6.325  -1.009
  178   1HG1  VAL  22          HG11      VAL  22  13.108  -5.606  -3.650
  179   2HG1  VAL  22          HG12      VAL  22  12.005  -5.890  -2.305
  180   3HG1  VAL  22          HG13      VAL  22  13.123  -7.156  -2.810
  181   1HG2  VAL  22          HG21      VAL  22  15.804  -4.347  -1.976
  182   2HG2  VAL  22          HG22      VAL  22  15.010  -4.802  -3.484
  183   3HG2  VAL  22          HG23      VAL  22  15.957  -5.992  -2.592
  184    H    ASP  23           HN       ASP  23  11.298  -4.029  -2.225
  185    HA   ASP  23           HA       ASP  23  11.614  -1.249  -3.003
  186   1HB   ASP  23          HB2       ASP  23  11.931  -1.717  -5.427
  187   2HB   ASP  23          HB1       ASP  23  13.284  -2.304  -4.466
  188    H    ALA  24           HN       ALA  24   9.889  -0.819  -4.878
  189    HA   ALA  24           HA       ALA  24   7.317  -1.437  -3.922
  190   1HB   ALA  24          HB1       ALA  24   8.506  -0.444  -6.484
  191   2HB   ALA  24          HB2       ALA  24   7.446   0.393  -5.350
  192   3HB   ALA  24          HB3       ALA  24   6.783  -0.817  -6.448
  193    H    ALA  25           HN       ALA  25   9.404  -3.283  -6.045
  194    HA   ALA  25           HA       ALA  25   7.511  -4.957  -7.354
  195   1HB   ALA  25          HB1       ALA  25  10.083  -4.661  -7.603
  196   2HB   ALA  25          HB2       ALA  25   9.412  -6.271  -7.865
  197   3HB   ALA  25          HB3       ALA  25  10.198  -5.882  -6.334
  198    H    THR  26           HN       THR  26   8.701  -4.990  -4.048
  199    HA   THR  26           HA       THR  26   7.247  -7.562  -3.539
  200    HB   THR  26           HB       THR  26   9.347  -6.148  -1.869
  201    HG1  THR  26           HG1      THR  26  10.498  -6.710  -3.567
  202   1HG2  THR  26          HG21      THR  26   9.562  -8.764  -1.280
  203   2HG2  THR  26          HG22      THR  26   7.853  -8.715  -1.711
  204   3HG2  THR  26          HG23      THR  26   8.464  -7.687  -0.415
  205    H    ALA  27           HN       ALA  27   7.481  -4.166  -2.660
  206    HA   ALA  27           HA       ALA  27   6.017  -4.161  -0.215
  207   1HB   ALA  27          HB1       ALA  27   6.068  -1.862  -0.517
  208   2HB   ALA  27          HB2       ALA  27   5.670  -1.978  -2.232
  209   3HB   ALA  27          HB3       ALA  27   7.307  -2.335  -1.680
  210    H    GLU  28           HN       GLU  28   4.805  -3.576  -3.542
  211    HA   GLU  28           HA       GLU  28   2.029  -3.421  -2.892
  212   1HB   GLU  28          HB2       GLU  28   3.601  -3.131  -5.106
  213   2HB   GLU  28          HB1       GLU  28   2.815  -4.668  -5.467
  214   1HG   GLU  28          HG2       GLU  28   0.645  -3.713  -5.347
  215   2HG   GLU  28          HG1       GLU  28   1.242  -2.261  -4.544
  216    H    LYS  29           HN       LYS  29   4.088  -6.230  -3.656
  217    HA   LYS  29           HA       LYS  29   2.092  -8.227  -3.918
  218   1HB   LYS  29          HB2       LYS  29   4.910  -8.228  -2.811
  219   2HB   LYS  29          HB1       LYS  29   3.990  -9.712  -3.064
  220   1HG   LYS  29          HG2       LYS  29   3.599  -8.696  -5.470
  221   2HG   LYS  29          HG1       LYS  29   5.057  -7.778  -5.092
  222   1HD   LYS  29          HD2       LYS  29   6.403  -9.620  -5.184
  223   2HD   LYS  29          HD1       LYS  29   5.184 -10.671  -4.461
  224   1HE   LYS  29          HE2       LYS  29   3.973 -10.170  -6.830
  225   2HE   LYS  29          HE1       LYS  29   5.672 -10.048  -7.329
  226   1HZ   LYS  29          HZ1       LYS  29   4.803 -12.358  -7.353
  227   2HZ   LYS  29          HZ2       LYS  29   4.576 -12.257  -5.672
  228   3HZ   LYS  29          HZ3       LYS  29   6.139 -12.152  -6.329
  229    H    VAL  30           HN       VAL  30   3.692  -7.005  -0.970
  230    HA   VAL  30           HA       VAL  30   2.144  -8.751   0.806
  231    HB   VAL  30           HB       VAL  30   3.956  -6.351   1.254
  232   1HG1  VAL  30          HG11      VAL  30   4.144  -7.360   3.584
  233   2HG1  VAL  30          HG12      VAL  30   2.746  -8.356   3.176
  234   3HG1  VAL  30          HG13      VAL  30   2.595  -6.599   3.217
  235   1HG2  VAL  30          HG21      VAL  30   5.551  -8.201   1.968
  236   2HG2  VAL  30          HG22      VAL  30   5.188  -8.148   0.243
  237   3HG2  VAL  30          HG23      VAL  30   4.405  -9.347   1.273
  238    H    PHE  31           HN       PHE  31   2.195  -5.255   0.037
  239    HA   PHE  31           HA       PHE  31   0.053  -4.494   1.774
  240   1HB   PHE  31          HB2       PHE  31   1.386  -3.393  -0.684
  241   2HB   PHE  31          HB1       PHE  31  -0.053  -2.592  -0.056
  242    HD1  PHE  31           HD1      PHE  31   0.161  -2.796   2.823
  243    HD2  PHE  31           HD2      PHE  31   3.268  -2.155  -0.074
  244    HE1  PHE  31           HE1      PHE  31   1.540  -1.675   4.551
  245    HE2  PHE  31           HE2      PHE  31   4.645  -1.038   1.656
  246    HZ   PHE  31           HZ       PHE  31   3.784  -0.797   3.968
  247    H    LYS  32           HN       LYS  32   0.070  -5.710  -1.571
  248    HA   LYS  32           HA       LYS  32  -2.687  -5.187  -2.171
  249   1HB   LYS  32          HB2       LYS  32  -0.587  -7.139  -3.124
  250   2HB   LYS  32          HB1       LYS  32  -2.231  -7.223  -3.752
  251   1HG   LYS  32          HG2       LYS  32  -2.118  -4.939  -4.547
  252   2HG   LYS  32          HG1       LYS  32  -0.551  -4.701  -3.774
  253   1HD   LYS  32          HD2       LYS  32   0.579  -5.902  -5.378
  254   2HD   LYS  32          HD1       LYS  32  -0.783  -6.982  -5.677
  255   1HE   LYS  32          HE2       LYS  32  -1.039  -4.082  -6.435
  256   2HE   LYS  32          HE1       LYS  32  -0.152  -5.189  -7.503
  257   1HZ   LYS  32          HZ1       LYS  32  -2.567  -5.133  -7.968
  258   2HZ   LYS  32          HZ2       LYS  32  -2.860  -5.728  -6.404
  259   3HZ   LYS  32          HZ3       LYS  32  -2.013  -6.675  -7.532
  260    H    GLN  33           HN       GLN  33  -1.029  -7.996  -0.723
  261    HA   GLN  33           HA       GLN  33  -3.328  -9.680  -0.425
  262   1HB   GLN  33          HB2       GLN  33  -0.876 -10.287  -0.234
  263   2HB   GLN  33          HB1       GLN  33  -0.874  -9.500   1.344
  264   1HG   GLN  33          HG2       GLN  33  -1.291 -11.738   1.903
  265   2HG   GLN  33          HG1       GLN  33  -2.916 -11.055   1.842
  266   1HE2  GLN  33          HE21      GLN  33  -4.066 -12.905   1.093
  267   2HE2  GLN  33          HE22      GLN  33  -3.758 -13.651  -0.400
  268    H    TYR  34           HN       TYR  34  -1.961  -7.117   1.501
  269    HA   TYR  34           HA       TYR  34  -3.570  -7.449   3.875
  270   1HB   TYR  34          HB2       TYR  34  -1.659  -6.137   4.165
  271   2HB   TYR  34          HB1       TYR  34  -1.818  -5.372   2.590
  272    HD1  TYR  34           HD1      TYR  34  -3.112  -5.421   6.061
  273    HD2  TYR  34           HD2      TYR  34  -3.015  -3.313   2.326
  274    HE1  TYR  34           HE1      TYR  34  -4.171  -3.451   7.146
  275    HE2  TYR  34           HE2      TYR  34  -4.073  -1.344   3.398
  276    HH   TYR  34           HH       TYR  34  -5.678  -1.105   5.617
  277    H    ALA  35           HN       ALA  35  -3.814  -5.060   1.216
  278    HA   ALA  35           HA       ALA  35  -6.391  -4.041   1.894
  279   1HB   ALA  35          HB1       ALA  35  -4.542  -4.094  -0.435
  280   2HB   ALA  35          HB2       ALA  35  -5.309  -2.713   0.356
  281   3HB   ALA  35          HB3       ALA  35  -6.222  -3.693  -0.792
  282    H    ASN  36           HN       ASN  36  -5.401  -6.820  -0.059
  283    HA   ASN  36           HA       ASN  36  -7.801  -7.462  -1.372
  284   1HB   ASN  36          HB2       ASN  36  -5.360  -8.850  -0.422
  285   2HB   ASN  36          HB1       ASN  36  -6.733  -9.897  -0.783
  286   1HD2  ASN  36          HD21      ASN  36  -5.569 -10.716  -2.713
  287   2HD2  ASN  36          HD22      ASN  36  -5.468  -9.767  -4.117
  288    H    ASP  37           HN       ASP  37  -6.688  -8.725   1.795
  289    HA   ASP  37           HA       ASP  37  -9.083 -10.148   2.443
  290   1HB   ASP  37          HB2       ASP  37  -6.747 -10.267   3.475
  291   2HB   ASP  37          HB1       ASP  37  -7.169  -8.809   4.373
  292    H    ASN  38           HN       ASN  38  -8.026  -6.837   3.276
  293    HA   ASN  38           HA       ASN  38 -10.352  -6.152   4.838
  294   1HB   ASN  38          HB2       ASN  38  -8.152  -4.671   3.403
  295   2HB   ASN  38          HB1       ASN  38  -9.460  -3.782   4.183
  296   1HD2  ASN  38          HD21      ASN  38  -6.739  -5.991   4.806
  297   2HD2  ASN  38          HD22      ASN  38  -6.676  -5.711   6.479
  298    H    GLY  39           HN       GLY  39  -9.631  -6.071   1.393
  299   1HA   GLY  39          HA2       GLY  39 -11.304  -6.068  -0.331
  300   2HA   GLY  39          HA1       GLY  39 -12.474  -5.457   0.839
  301    H    ILE  40           HN       ILE  40  -9.251  -4.283  -0.196
  302    HA   ILE  40           HA       ILE  40 -10.483  -1.584  -0.581
  303    HB   ILE  40           HB       ILE  40  -7.641  -2.510  -0.043
  304   1HG1  ILE  40          HG12      ILE  40  -9.618  -0.956   1.656
  305   2HG1  ILE  40          HG11      ILE  40  -9.262  -2.671   1.848
  306   1HG2  ILE  40          HG21      ILE  40  -8.787   0.142  -0.812
  307   2HG2  ILE  40          HG22      ILE  40  -7.190  -0.527  -1.161
  308   3HG2  ILE  40          HG23      ILE  40  -7.544   0.133   0.438
  309   1HD1  ILE  40          HD11      ILE  40  -7.175  -2.280   2.749
  310   2HD1  ILE  40          HD12      ILE  40  -7.990  -0.808   3.279
  311   3HD1  ILE  40          HD13      ILE  40  -6.952  -0.777   1.853
  312    H    ASP  41           HN       ASP  41 -11.126  -2.953  -2.726
  313    HA   ASP  41           HA       ASP  41  -9.016  -3.037  -4.773
  314   1HB   ASP  41          HB2       ASP  41 -11.851  -3.794  -4.405
  315   2HB   ASP  41          HB1       ASP  41 -11.458  -3.258  -6.039
  316    H    GLY  42           HN       GLY  42  -8.756  -0.567  -3.978
  317   1HA   GLY  42          HA2       GLY  42 -10.620   1.247  -5.377
  318   2HA   GLY  42          HA1       GLY  42  -9.329   1.723  -4.273
  319    H    GLU  43           HN       GLU  43  -8.249   3.147  -5.564
  320    HA   GLU  43           HA       GLU  43  -7.166   2.129  -8.130
  321   1HB   GLU  43          HB2       GLU  43  -7.828   4.920  -7.152
  322   2HB   GLU  43          HB1       GLU  43  -7.035   4.587  -8.692
  323   1HG   GLU  43          HG2       GLU  43  -8.976   3.195  -9.369
  324   2HG   GLU  43          HG1       GLU  43  -9.775   3.598  -7.849
  325    H    TRP  44           HN       TRP  44  -5.171   1.343  -7.516
  326    HA   TRP  44           HA       TRP  44  -3.592   2.505  -5.425
  327   1HB   TRP  44          HB2       TRP  44  -3.129   0.449  -7.575
  328   2HB   TRP  44          HB1       TRP  44  -1.886   0.872  -6.390
  329    HD1  TRP  44           HD1      TRP  44  -5.556  -0.321  -6.484
  330    HE1  TRP  44           HE1      TRP  44  -5.997  -1.718  -4.359
  331    HE3  TRP  44           HE3      TRP  44  -1.056   0.208  -4.129
  332    HZ2  TRP  44           HZ2      TRP  44  -4.623  -2.488  -1.977
  333    HZ3  TRP  44           HZ3      TRP  44  -0.650  -0.867  -1.933
  334    HH2  TRP  44           HH2      TRP  44  -2.427  -2.220  -0.857
  335    H    THR  45           HN       THR  45  -1.848   3.809  -5.518
  336    HA   THR  45           HA       THR  45  -0.701   4.667  -8.104
  337    HB   THR  45           HB       THR  45  -1.013   7.093  -7.142
  338    HG1  THR  45           HG1      THR  45  -2.955   7.234  -5.940
  339   1HG2  THR  45          HG21      THR  45  -2.080   6.022  -9.201
  340   2HG2  THR  45          HG22      THR  45  -2.973   7.357  -8.472
  341   3HG2  THR  45          HG23      THR  45  -3.481   5.693  -8.181
  342    H    TYR  46           HN       TYR  46   1.468   4.902  -7.811
  343    HA   TYR  46           HA       TYR  46   2.509   4.797  -5.019
  344   1HB   TYR  46          HB2       TYR  46   3.193   2.980  -6.410
  345   2HB   TYR  46          HB1       TYR  46   3.499   4.038  -7.780
  346    HD1  TYR  46           HD1      TYR  46   5.617   5.040  -8.114
  347    HD2  TYR  46           HD2      TYR  46   4.740   3.091  -4.388
  348    HE1  TYR  46           HE1      TYR  46   8.006   5.191  -7.475
  349    HE2  TYR  46           HE2      TYR  46   7.129   3.242  -3.747
  350    HH   TYR  46           HH       TYR  46   9.343   3.432  -4.952
  351    H    ASP  47           HN       ASP  47   3.484   6.602  -4.196
  352    HA   ASP  47           HA       ASP  47   4.031   8.911  -5.994
  353   1HB   ASP  47          HB2       ASP  47   3.336   8.413  -3.154
  354   2HB   ASP  47          HB1       ASP  47   4.432   9.766  -3.435
  355    H    ASP  48           HN       ASP  48   6.107   9.174  -6.677
  356    HA   ASP  48           HA       ASP  48   8.336   7.696  -5.514
  357   1HB   ASP  48          HB2       ASP  48   8.000   8.297  -7.936
  358   2HB   ASP  48          HB1       ASP  48   8.307   9.981  -7.510
  359    H    ALA  49           HN       ALA  49   6.957  10.883  -5.059
  360    HA   ALA  49           HA       ALA  49   9.134  12.386  -4.129
  361   1HB   ALA  49          HB1       ALA  49   7.138  13.283  -2.570
  362   2HB   ALA  49          HB2       ALA  49   6.191  12.282  -3.671
  363   3HB   ALA  49          HB3       ALA  49   7.179  13.598  -4.305
  364    H    THR  50           HN       THR  50   7.116  10.054  -2.334
  365    HA   THR  50           HA       THR  50   9.266   9.856  -0.280
  366    HB   THR  50           HB       THR  50   7.539  10.139   1.491
  367    HG1  THR  50           HG1      THR  50   5.645   9.668   0.618
  368   1HG2  THR  50          HG21      THR  50   7.332  12.531   1.291
  369   2HG2  THR  50          HG22      THR  50   7.498  12.450  -0.464
  370   3HG2  THR  50          HG23      THR  50   8.876  12.075   0.571
  371    H    LYS  51           HN       LYS  51   7.748   8.135  -2.463
  372    HA   LYS  51           HA       LYS  51   7.048   5.889  -2.680
  373   1HB   LYS  51          HB2       LYS  51   9.165   6.136  -0.676
  374   2HB   LYS  51          HB1       LYS  51   8.174   4.702  -0.409
  375   1HG   LYS  51          HG2       LYS  51   9.599   3.789  -1.948
  376   2HG   LYS  51          HG1       LYS  51   8.482   4.539  -3.086
  377   1HD   LYS  51          HD2       LYS  51  10.286   5.634  -3.912
  378   2HD   LYS  51          HD1       LYS  51  10.211   6.620  -2.454
  379   1HE   LYS  51          HE2       LYS  51  12.447   5.812  -2.483
  380   2HE   LYS  51          HE1       LYS  51  11.623   4.707  -1.365
  381   1HZ   LYS  51          HZ1       LYS  51  12.840   3.457  -3.035
  382   2HZ   LYS  51          HZ2       LYS  51  12.014   4.266  -4.280
  383   3HZ   LYS  51          HZ3       LYS  51  11.172   3.225  -3.233
  384    H    THR  52           HN       THR  52   4.779   6.049  -2.311
  385    HA   THR  52           HA       THR  52   3.864   4.953   0.279
  386    HB   THR  52           HB       THR  52   2.931   7.646  -0.759
  387    HG1  THR  52           HG1      THR  52   4.119   8.440   1.018
  388   1HG2  THR  52          HG21      THR  52   2.394   6.122   1.804
  389   2HG2  THR  52          HG22      THR  52   1.228   6.473   0.528
  390   3HG2  THR  52          HG23      THR  52   1.889   7.785   1.504
  391    H    PHE  53           HN       PHE  53   2.765   3.236  -0.684
  392    HA   PHE  53           HA       PHE  53   1.305   3.315  -3.152
  393   1HB   PHE  53          HB2       PHE  53   1.227   1.603  -0.656
  394   2HB   PHE  53          HB1       PHE  53   0.186   1.263  -2.038
  395    HD1  PHE  53           HD1      PHE  53   1.116   0.521  -4.164
  396    HD2  PHE  53           HD2      PHE  53   3.646   1.344  -0.798
  397    HE1  PHE  53           HE1      PHE  53   2.996  -0.641  -5.295
  398    HE2  PHE  53           HE2      PHE  53   5.528   0.183  -1.922
  399    HZ   PHE  53           HZ       PHE  53   5.202  -0.810  -4.173
  400    H    THR  54           HN       THR  54  -0.602   4.405  -3.557
  401    HA   THR  54           HA       THR  54  -2.326   5.067  -1.181
  402    HB   THR  54           HB       THR  54  -1.900   6.561  -3.783
  403    HG1  THR  54           HG1      THR  54  -0.085   6.829  -2.653
  404   1HG2  THR  54          HG21      THR  54  -3.303   8.229  -2.966
  405   2HG2  THR  54          HG22      THR  54  -3.092   7.725  -1.289
  406   3HG2  THR  54          HG23      THR  54  -4.115   6.781  -2.371
  407    H    VAL  55           HN       VAL  55  -4.014   3.551  -1.274
  408    HA   VAL  55           HA       VAL  55  -5.410   3.209  -3.862
  409    HB   VAL  55           HB       VAL  55  -4.543   1.150  -2.703
  410   1HG1  VAL  55          HG11      VAL  55  -4.966   2.056  -0.378
  411   2HG1  VAL  55          HG12      VAL  55  -5.511   0.395  -0.648
  412   3HG1  VAL  55          HG13      VAL  55  -6.678   1.728  -0.661
  413   1HG2  VAL  55          HG21      VAL  55  -6.568   1.156  -4.203
  414   2HG2  VAL  55          HG22      VAL  55  -7.559   1.260  -2.748
  415   3HG2  VAL  55          HG23      VAL  55  -6.537  -0.150  -3.019
  416    H    THR  56           HN       THR  56  -7.853   3.026  -3.602
  417    HA   THR  56           HA       THR  56  -9.059   4.377  -1.287
  418    HB   THR  56           HB       THR  56  -8.944   5.574  -4.070
  419    HG1  THR  56           HG1      THR  56  -7.219   6.423  -3.260
  420   1HG2  THR  56          HG21      THR  56 -10.182   6.805  -1.600
  421   2HG2  THR  56          HG22      THR  56 -11.126   5.871  -2.760
  422   3HG2  THR  56          HG23      THR  56 -10.320   7.354  -3.270
  423    H    GLU  57           HN       GLU  57 -10.700   2.873  -1.018
  424    HA   GLU  57           HA       GLU  57 -12.044   1.650  -3.342
  425   1HB   GLU  57          HB2       GLU  57 -11.380   0.850  -0.804
  426   2HB   GLU  57          HB1       GLU  57 -13.084   1.254  -0.599
  427   1HG   GLU  57          HG2       GLU  57 -12.033  -0.538  -2.806
  428   2HG   GLU  57          HG1       GLU  57 -12.678  -1.138  -1.278
  Start of MODEL   38
    1   1H    MET   1          HT1       MET   1 -17.654   0.881   2.447
    2   2H    MET   1          HT2       MET   1 -17.910   2.222   3.459
    3   3H    MET   1          HT3       MET   1 -17.196   0.810   4.078
    4    HA   MET   1           HA       MET   1 -15.991   2.627   2.050
    5   1HB   MET   1          HB2       MET   1 -15.928   2.293   5.009
    6   2HB   MET   1          HB1       MET   1 -14.384   2.627   4.225
    7   1HG   MET   1          HG2       MET   1 -15.399   4.597   3.106
    8   2HG   MET   1          HG1       MET   1 -16.913   4.279   3.953
    9   1HE   MET   1          HE1       MET   1 -17.544   5.057   6.041
   10   2HE   MET   1          HE2       MET   1 -16.520   5.335   7.446
   11   3HE   MET   1          HE3       MET   1 -16.658   3.713   6.773
   12    H    THR   2           HN       THR   2 -14.158   1.788   1.058
   13    HA   THR   2           HA       THR   2 -13.688  -1.091   1.212
   14    HB   THR   2           HB       THR   2 -12.145   1.110  -0.198
   15    HG1  THR   2           HG1      THR   2 -13.612   0.973  -1.764
   16   1HG2  THR   2          HG21      THR   2 -11.826  -0.881  -1.834
   17   2HG2  THR   2          HG22      THR   2 -12.282  -1.884  -0.456
   18   3HG2  THR   2          HG23      THR   2 -10.858  -0.849  -0.359
   19    H    THR   3           HN       THR   3 -11.434  -1.941   1.574
   20    HA   THR   3           HA       THR   3  -9.766  -0.314   3.379
   21    HB   THR   3           HB       THR   3 -10.838  -3.087   3.964
   22    HG1  THR   3           HG1      THR   3 -12.431  -2.033   4.789
   23   1HG2  THR   3          HG21      THR   3  -9.851  -2.479   6.274
   24   2HG2  THR   3          HG22      THR   3  -8.936  -1.246   5.407
   25   3HG2  THR   3          HG23      THR   3  -8.722  -2.950   5.005
   26    H    PHE   4           HN       PHE   4  -8.177  -0.307   1.677
   27    HA   PHE   4           HA       PHE   4  -7.241  -2.813   0.481
   28   1HB   PHE   4          HB2       PHE   4  -6.127   0.013   0.460
   29   2HB   PHE   4          HB1       PHE   4  -5.651  -1.282  -0.634
   30    HD1  PHE   4           HD1      PHE   4  -8.279   1.128   0.251
   31    HD2  PHE   4           HD2      PHE   4  -7.181  -2.080  -2.387
   32    HE1  PHE   4           HE1      PHE   4 -10.151   1.730  -1.259
   33    HE2  PHE   4           HE2      PHE   4  -9.055  -1.479  -3.897
   34    HZ   PHE   4           HZ       PHE   4 -10.539   0.427  -3.332
   35    H    LYS   5           HN       LYS   5  -4.717  -3.114   0.536
   36    HA   LYS   5           HA       LYS   5  -3.631  -2.621   3.282
   37   1HB   LYS   5          HB2       LYS   5  -4.385  -5.139   1.943
   38   2HB   LYS   5          HB1       LYS   5  -2.761  -5.161   2.631
   39   1HG   LYS   5          HG2       LYS   5  -3.726  -4.318   4.787
   40   2HG   LYS   5          HG1       LYS   5  -5.335  -4.493   4.087
   41   1HD   LYS   5          HD2       LYS   5  -5.095  -6.862   3.887
   42   2HD   LYS   5          HD1       LYS   5  -3.363  -6.783   4.214
   43   1HE   LYS   5          HE2       LYS   5  -4.075  -5.729   6.498
   44   2HE   LYS   5          HE1       LYS   5  -5.658  -6.448   6.142
   45   1HZ   LYS   5          HZ1       LYS   5  -4.563  -8.568   5.738
   46   2HZ   LYS   5          HZ2       LYS   5  -4.241  -8.023   7.315
   47   3HZ   LYS   5          HZ3       LYS   5  -3.055  -7.885   6.107
   48    H    LEU   6           HN       LEU   6  -1.399  -2.238   3.293
   49    HA   LEU   6           HA       LEU   6  -0.039  -2.255   0.622
   50   1HB   LEU   6          HB2       LEU   6  -0.573  -0.059   1.774
   51   2HB   LEU   6          HB1       LEU   6   0.500  -0.545   3.073
   52    HG   LEU   6           HG       LEU   6   1.485   1.012   1.297
   53   1HD1  LEU   6          HD11      LEU   6   3.573   0.214   1.763
   54   2HD1  LEU   6          HD12      LEU   6   3.151  -1.450   1.342
   55   3HD1  LEU   6          HD13      LEU   6   2.659  -0.781   2.899
   56   1HD2  LEU   6          HD21      LEU   6   0.567  -0.085  -0.708
   57   2HD2  LEU   6          HD22      LEU   6   1.477  -1.552  -0.333
   58   3HD2  LEU   6          HD23      LEU   6   2.332  -0.077  -0.763
   59    H    ILE   7           HN       ILE   7   1.055  -4.268   0.729
   60    HA   ILE   7           HA       ILE   7   2.292  -5.318   3.093
   61    HB   ILE   7           HB       ILE   7   1.648  -6.293   0.669
   62   1HG1  ILE   7          HG12      ILE   7   3.352  -8.177   1.230
   63   2HG1  ILE   7          HG11      ILE   7   3.704  -7.202   2.657
   64   1HG2  ILE   7          HG21      ILE   7   3.504  -5.015  -0.462
   65   2HG2  ILE   7          HG22      ILE   7   3.563  -6.757  -0.717
   66   3HG2  ILE   7          HG23      ILE   7   4.652  -5.999   0.442
   67   1HD1  ILE   7          HD11      ILE   7   1.769  -9.047   2.668
   68   2HD1  ILE   7          HD12      ILE   7   0.836  -7.707   2.002
   69   3HD1  ILE   7          HD13      ILE   7   1.616  -7.542   3.574
   70    H    ILE   8           HN       ILE   8   4.107  -4.601   4.111
   71    HA   ILE   8           HA       ILE   8   5.772  -2.540   2.790
   72    HB   ILE   8           HB       ILE   8   5.734  -3.682   5.606
   73   1HG1  ILE   8          HG12      ILE   8   4.771  -0.933   5.003
   74   2HG1  ILE   8          HG11      ILE   8   3.735  -2.250   4.459
   75   1HG2  ILE   8          HG21      ILE   8   7.826  -2.663   5.435
   76   2HG2  ILE   8          HG22      ILE   8   6.825  -1.318   5.979
   77   3HG2  ILE   8          HG23      ILE   8   7.259  -1.462   4.276
   78   1HD1  ILE   8          HD11      ILE   8   3.525  -3.130   6.667
   79   2HD1  ILE   8          HD12      ILE   8   3.297  -1.389   6.825
   80   3HD1  ILE   8          HD13      ILE   8   4.839  -2.120   7.269
   81    H    ASN   9           HN       ASN   9   6.549  -4.493   1.299
   82    HA   ASN   9           HA       ASN   9   8.590  -6.203   2.604
   83   1HB   ASN   9          HB2       ASN   9   7.173  -6.001  -0.007
   84   2HB   ASN   9          HB1       ASN   9   8.784  -6.715  -0.045
   85   1HD2  ASN   9          HD21      ASN   9   6.039  -8.023  -0.341
   86   2HD2  ASN   9          HD22      ASN   9   6.025  -9.252   0.831
   87    H    GLY  10           HN       GLY  10   9.335  -3.630   2.996
   88   1HA   GLY  10          HA2       GLY  10  11.262  -2.925   0.839
   89   2HA   GLY  10          HA1       GLY  10  10.693  -1.825   2.099
   90    H    LYS  11           HN       LYS  11  13.384  -2.016   1.701
   91    HA   LYS  11           HA       LYS  11  14.572  -3.965   3.555
   92   1HB   LYS  11          HB2       LYS  11  15.624  -3.171   1.432
   93   2HB   LYS  11          HB1       LYS  11  15.727  -1.551   2.123
   94   1HG   LYS  11          HG2       LYS  11  17.383  -2.146   3.629
   95   2HG   LYS  11          HG1       LYS  11  16.868  -3.832   3.687
   96   1HD   LYS  11          HD2       LYS  11  18.020  -4.397   1.763
   97   2HD   LYS  11          HD1       LYS  11  17.903  -2.771   1.090
   98   1HE   LYS  11          HE2       LYS  11  19.784  -2.030   2.203
   99   2HE   LYS  11          HE1       LYS  11  19.494  -3.085   3.602
  100   1HZ   LYS  11          HZ1       LYS  11  21.327  -3.953   2.321
  101   2HZ   LYS  11          HZ2       LYS  11  20.395  -3.942   0.901
  102   3HZ   LYS  11          HZ3       LYS  11  20.002  -5.000   2.171
  103    H    THR  12           HN       THR  12  12.773  -1.250   4.151
  104    HA   THR  12           HA       THR  12  14.494  -0.366   6.435
  105    HB   THR  12           HB       THR  12  12.237   1.052   4.982
  106    HG1  THR  12           HG1      THR  12  13.773   1.191   3.541
  107   1HG2  THR  12          HG21      THR  12  12.586   1.821   7.294
  108   2HG2  THR  12          HG22      THR  12  13.114   3.048   6.142
  109   3HG2  THR  12          HG23      THR  12  14.305   2.041   6.966
  110    H    LEU  13           HN       LEU  13  11.275  -1.494   5.458
  111    HA   LEU  13           HA       LEU  13  10.617  -1.838   8.367
  112   1HB   LEU  13          HB2       LEU  13   9.186  -0.353   6.202
  113   2HB   LEU  13          HB1       LEU  13   8.209  -1.200   7.402
  114    HG   LEU  13           HG       LEU  13  10.446   0.705   8.131
  115   1HD1  LEU  13          HD11      LEU  13   7.594   1.178   7.418
  116   2HD1  LEU  13          HD12      LEU  13   8.984   2.252   7.265
  117   3HD1  LEU  13          HD13      LEU  13   8.208   2.032   8.833
  118   1HD2  LEU  13          HD21      LEU  13   8.799   0.671  10.243
  119   2HD2  LEU  13          HD22      LEU  13  10.071  -0.534  10.043
  120   3HD2  LEU  13          HD23      LEU  13   8.410  -0.921   9.592
  121    H    LYS  14           HN       LYS  14   8.436  -3.216   8.436
  122    HA   LYS  14           HA       LYS  14   8.081  -5.145   6.262
  123   1HB   LYS  14          HB2       LYS  14  10.149  -5.536   8.141
  124   2HB   LYS  14          HB1       LYS  14   8.861  -6.629   8.643
  125   1HG   LYS  14          HG2       LYS  14   9.950  -6.452   5.818
  126   2HG   LYS  14          HG1       LYS  14  10.434  -7.669   7.000
  127   1HD   LYS  14          HD2       LYS  14   7.543  -7.233   6.229
  128   2HD   LYS  14          HD1       LYS  14   8.589  -8.358   5.362
  129   1HE   LYS  14          HE2       LYS  14   9.093  -9.464   7.594
  130   2HE   LYS  14          HE1       LYS  14   7.799  -8.467   8.289
  131   1HZ   LYS  14          HZ1       LYS  14   7.041 -10.670   7.432
  132   2HZ   LYS  14          HZ2       LYS  14   7.456 -10.150   5.869
  133   3HZ   LYS  14          HZ3       LYS  14   6.243  -9.342   6.742
  134    H    GLY  15           HN       GLY  15   6.008  -5.963   6.411
  135   1HA   GLY  15          HA2       GLY  15   4.468  -7.018   8.264
  136   2HA   GLY  15          HA1       GLY  15   4.478  -5.368   8.887
  137    H    GLU  16           HN       GLU  16   2.223  -5.089   8.512
  138    HA   GLU  16           HA       GLU  16   1.522  -4.636   5.639
  139   1HB   GLU  16          HB2       GLU  16  -0.082  -6.126   7.743
  140   2HB   GLU  16          HB1       GLU  16  -0.665  -5.737   6.125
  141   1HG   GLU  16          HG2       GLU  16   0.162  -7.831   5.671
  142   2HG   GLU  16          HG1       GLU  16   1.658  -6.920   5.461
  143    H    THR  17           HN       THR  17  -0.179  -3.045   5.364
  144    HA   THR  17           HA       THR  17  -0.737  -1.384   7.802
  145    HB   THR  17           HB       THR  17  -0.189  -0.505   4.947
  146    HG1  THR  17           HG1      THR  17   1.805  -0.570   5.536
  147   1HG2  THR  17          HG21      THR  17  -1.469   1.226   5.795
  148   2HG2  THR  17          HG22      THR  17   0.126   1.720   6.361
  149   3HG2  THR  17          HG23      THR  17  -0.986   0.905   7.461
  150    H    THR  18           HN       THR  18  -2.798  -0.244   7.733
  151    HA   THR  18           HA       THR  18  -4.719  -1.068   5.606
  152    HB   THR  18           HB       THR  18  -6.305  -1.736   7.455
  153    HG1  THR  18           HG1      THR  18  -5.445  -1.995   9.491
  154   1HG2  THR  18          HG21      THR  18  -4.774  -3.325   6.154
  155   2HG2  THR  18          HG22      THR  18  -5.390  -3.916   7.697
  156   3HG2  THR  18          HG23      THR  18  -3.735  -3.317   7.579
  157    H    THR  19           HN       THR  19  -6.372   0.462   5.299
  158    HA   THR  19           HA       THR  19  -6.775   2.644   7.246
  159    HB   THR  19           HB       THR  19  -4.772   3.310   5.962
  160    HG1  THR  19           HG1      THR  19  -5.962   5.041   6.459
  161   1HG2  THR  19          HG21      THR  19  -6.445   3.417   3.466
  162   2HG2  THR  19          HG22      THR  19  -5.617   1.924   3.907
  163   3HG2  THR  19          HG23      THR  19  -4.689   3.396   3.625
  164    H    GLU  20           HN       GLU  20  -8.803   3.635   6.947
  165    HA   GLU  20           HA       GLU  20 -10.727   2.239   5.256
  166   1HB   GLU  20          HB2       GLU  20 -10.840   4.723   7.000
  167   2HB   GLU  20          HB1       GLU  20 -12.254   3.986   6.249
  168   1HG   GLU  20          HG2       GLU  20 -12.409   2.646   8.057
  169   2HG   GLU  20          HG1       GLU  20 -10.937   1.848   7.506
  170    H    ALA  21           HN       ALA  21 -10.729   2.642   3.078
  171    HA   ALA  21           HA       ALA  21 -10.556   5.496   2.170
  172   1HB   ALA  21          HB1       ALA  21  -8.573   3.676   1.880
  173   2HB   ALA  21          HB2       ALA  21  -8.883   4.939   0.687
  174   3HB   ALA  21          HB3       ALA  21  -9.515   3.311   0.434
  175    H    VAL  22           HN       VAL  22 -11.998   6.015   0.481
  176    HA   VAL  22           HA       VAL  22 -14.371   4.492   0.162
  177    HB   VAL  22           HB       VAL  22 -14.793   6.133  -1.642
  178   1HG1  VAL  22          HG11      VAL  22 -13.348   7.652   0.492
  179   2HG1  VAL  22          HG12      VAL  22 -14.737   6.658   0.929
  180   3HG1  VAL  22          HG13      VAL  22 -14.924   7.974  -0.230
  181   1HG2  VAL  22          HG21      VAL  22 -12.492   6.105  -2.606
  182   2HG2  VAL  22          HG22      VAL  22 -11.922   6.993  -1.196
  183   3HG2  VAL  22          HG23      VAL  22 -13.076   7.737  -2.299
  184    H    ASP  23           HN       ASP  23 -11.359   4.544  -1.700
  185    HA   ASP  23           HA       ASP  23 -11.803   1.931  -2.829
  186   1HB   ASP  23          HB2       ASP  23 -12.125   2.704  -5.204
  187   2HB   ASP  23          HB1       ASP  23 -13.486   3.081  -4.152
  188    H    ALA  24           HN       ALA  24 -10.206   1.810  -4.941
  189    HA   ALA  24           HA       ALA  24  -7.568   2.116  -4.003
  190   1HB   ALA  24          HB1       ALA  24  -6.996   1.713  -6.411
  191   2HB   ALA  24          HB2       ALA  24  -8.694   1.968  -6.813
  192   3HB   ALA  24          HB3       ALA  24  -8.223   0.605  -5.797
  193    H    ALA  25           HN       ALA  25  -9.649   4.430  -5.610
  194    HA   ALA  25           HA       ALA  25  -7.749   6.251  -6.681
  195   1HB   ALA  25          HB1       ALA  25 -10.421   6.068  -6.613
  196   2HB   ALA  25          HB2       ALA  25  -9.613   7.601  -6.943
  197   3HB   ALA  25          HB3       ALA  25 -10.217   7.253  -5.323
  198    H    THR  26           HN       THR  26  -8.725   5.671  -3.356
  199    HA   THR  26           HA       THR  26  -7.096   8.021  -2.456
  200    HB   THR  26           HB       THR  26  -9.170   6.397  -0.952
  201    HG1  THR  26           HG1      THR  26 -10.228   7.356  -2.619
  202   1HG2  THR  26          HG21      THR  26  -9.075   8.066   0.684
  203   2HG2  THR  26          HG22      THR  26  -8.367   9.244  -0.420
  204   3HG2  THR  26          HG23      THR  26  -7.385   7.919   0.204
  205    H    ALA  27           HN       ALA  27  -7.451   4.533  -2.273
  206    HA   ALA  27           HA       ALA  27  -5.873   3.956   0.027
  207   1HB   ALA  27          HB1       ALA  27  -5.742   2.258  -2.439
  208   2HB   ALA  27          HB2       ALA  27  -7.316   2.525  -1.690
  209   3HB   ALA  27          HB3       ALA  27  -6.015   1.775  -0.765
  210    H    GLU  28           HN       GLU  28  -4.816   3.918  -3.406
  211    HA   GLU  28           HA       GLU  28  -2.025   3.605  -2.909
  212   1HB   GLU  28          HB2       GLU  28  -3.539   3.523  -5.069
  213   2HB   GLU  28          HB1       GLU  28  -3.105   5.227  -5.201
  214   1HG   GLU  28          HG2       GLU  28  -0.660   4.237  -4.732
  215   2HG   GLU  28          HG1       GLU  28  -1.384   2.806  -5.468
  216    H    LYS  29           HN       LYS  29  -4.031   6.543  -3.083
  217    HA   LYS  29           HA       LYS  29  -1.925   8.477  -3.092
  218   1HB   LYS  29          HB2       LYS  29  -4.737   8.501  -1.940
  219   2HB   LYS  29          HB1       LYS  29  -3.745   9.945  -2.146
  220   1HG   LYS  29          HG2       LYS  29  -3.514   9.174  -4.615
  221   2HG   LYS  29          HG1       LYS  29  -4.905   8.147  -4.267
  222   1HD   LYS  29          HD2       LYS  29  -6.280  10.024  -3.726
  223   2HD   LYS  29          HD1       LYS  29  -4.893  11.112  -3.673
  224   1HE   LYS  29          HE2       LYS  29  -5.251   9.676  -6.244
  225   2HE   LYS  29          HE1       LYS  29  -6.502  10.874  -5.857
  226   1HZ   LYS  29          HZ1       LYS  29  -3.599  11.408  -5.561
  227   2HZ   LYS  29          HZ2       LYS  29  -4.873  12.530  -5.488
  228   3HZ   LYS  29          HZ3       LYS  29  -4.465  11.797  -6.966
  229    H    VAL  30           HN       VAL  30  -3.609   6.849  -0.402
  230    HA   VAL  30           HA       VAL  30  -1.992   8.225   1.638
  231    HB   VAL  30           HB       VAL  30  -3.966   5.913   1.740
  232   1HG1  VAL  30          HG11      VAL  30  -4.042   6.243   4.113
  233   2HG1  VAL  30          HG12      VAL  30  -3.068   7.709   4.005
  234   3HG1  VAL  30          HG13      VAL  30  -2.334   6.138   3.685
  235   1HG2  VAL  30          HG21      VAL  30  -5.330   7.664   1.125
  236   2HG2  VAL  30          HG22      VAL  30  -4.218   8.884   1.745
  237   3HG2  VAL  30          HG23      VAL  30  -5.259   7.993   2.856
  238    H    PHE  31           HN       PHE  31  -2.205   5.005   0.147
  239    HA   PHE  31           HA       PHE  31  -0.212   3.709   1.777
  240   1HB   PHE  31          HB2       PHE  31  -1.533   3.286  -0.890
  241   2HB   PHE  31          HB1       PHE  31  -0.154   2.279  -0.465
  242    HD1  PHE  31           HD1      PHE  31  -1.970   0.471  -0.768
  243    HD2  PHE  31           HD2      PHE  31  -1.999   3.279   2.487
  244    HE1  PHE  31           HE1      PHE  31  -3.456  -1.033   0.526
  245    HE2  PHE  31           HE2      PHE  31  -3.472   1.767   3.775
  246    HZ   PHE  31           HZ       PHE  31  -4.205  -0.387   2.796
  247    H    LYS  32           HN       LYS  32  -0.065   5.609  -1.211
  248    HA   LYS  32           HA       LYS  32   2.711   5.072  -1.806
  249   1HB   LYS  32          HB2       LYS  32   1.020   5.906  -3.424
  250   2HB   LYS  32          HB1       LYS  32   0.911   7.419  -2.522
  251   1HG   LYS  32          HG2       LYS  32   3.176   7.997  -3.044
  252   2HG   LYS  32          HG1       LYS  32   3.515   6.382  -3.666
  253   1HD   LYS  32          HD2       LYS  32   3.184   7.807  -5.575
  254   2HD   LYS  32          HD1       LYS  32   1.742   6.801  -5.430
  255   1HE   LYS  32          HE2       LYS  32   0.722   8.729  -4.061
  256   2HE   LYS  32          HE1       LYS  32   2.062   9.715  -4.679
  257   1HZ   LYS  32          HZ1       LYS  32   0.143   9.797  -6.169
  258   2HZ   LYS  32          HZ2       LYS  32   0.197   8.108  -6.346
  259   3HZ   LYS  32          HZ3       LYS  32   1.475   9.067  -6.924
  260    H    GLN  33           HN       GLN  33   1.038   7.762  -0.136
  261    HA   GLN  33           HA       GLN  33   3.358   9.318   0.461
  262   1HB   GLN  33          HB2       GLN  33   0.838   9.854   0.627
  263   2HB   GLN  33          HB1       GLN  33   0.913   9.077   2.208
  264   1HG   GLN  33          HG2       GLN  33   1.377  11.255   2.832
  265   2HG   GLN  33          HG1       GLN  33   3.015  10.689   2.499
  266   1HE2  GLN  33          HE21      GLN  33   4.136  11.626   0.718
  267   2HE2  GLN  33          HE22      GLN  33   3.466  12.829  -0.276
  268    H    TYR  34           HN       TYR  34   1.894   6.568   2.018
  269    HA   TYR  34           HA       TYR  34   3.374   6.644   4.498
  270   1HB   TYR  34          HB2       TYR  34   1.381   5.354   4.427
  271   2HB   TYR  34          HB1       TYR  34   1.815   4.601   2.897
  272    HD1  TYR  34           HD1      TYR  34   2.496   4.662   6.536
  273    HD2  TYR  34           HD2      TYR  34   3.197   2.623   2.822
  274    HE1  TYR  34           HE1      TYR  34   3.475   2.744   7.772
  275    HE2  TYR  34           HE2      TYR  34   4.174   0.708   4.051
  276    HH   TYR  34           HH       TYR  34   5.327   0.772   6.931
  277    H    ALA  35           HN       ALA  35   3.817   4.837   1.454
  278    HA   ALA  35           HA       ALA  35   6.359   3.663   2.246
  279   1HB   ALA  35          HB1       ALA  35   5.145   2.434   0.674
  280   2HB   ALA  35          HB2       ALA  35   6.294   3.274  -0.371
  281   3HB   ALA  35          HB3       ALA  35   4.643   3.878  -0.211
  282    H    ASN  36           HN       ASN  36   5.370   6.528   0.419
  283    HA   ASN  36           HA       ASN  36   7.825   7.217  -0.799
  284   1HB   ASN  36          HB2       ASN  36   5.537   8.223  -1.143
  285   2HB   ASN  36          HB1       ASN  36   5.751   9.084   0.382
  286   1HD2  ASN  36          HD21      ASN  36   5.705   9.972  -2.623
  287   2HD2  ASN  36          HD22      ASN  36   7.074  10.969  -2.747
  288    H    ASP  37           HN       ASP  37   6.554   8.107   2.418
  289    HA   ASP  37           HA       ASP  37   8.865   9.674   3.196
  290   1HB   ASP  37          HB2       ASP  37   6.369   8.584   4.382
  291   2HB   ASP  37          HB1       ASP  37   7.668   8.932   5.524
  292    H    ASN  38           HN       ASN  38   7.899   6.284   3.644
  293    HA   ASN  38           HA       ASN  38  10.110   5.604   5.412
  294   1HB   ASN  38          HB2       ASN  38   8.047   4.121   3.780
  295   2HB   ASN  38          HB1       ASN  38   9.307   3.246   4.652
  296   1HD2  ASN  38          HD21      ASN  38   6.169   4.116   5.025
  297   2HD2  ASN  38          HD22      ASN  38   6.111   4.337   6.707
  298    H    GLY  39           HN       GLY  39   9.532   5.466   1.921
  299   1HA   GLY  39          HA2       GLY  39  11.390   5.674   0.348
  300   2HA   GLY  39          HA1       GLY  39  12.430   4.884   1.533
  301    H    ILE  40           HN       ILE  40   9.181   3.802   0.640
  302    HA   ILE  40           HA       ILE  40  10.367   1.207  -0.222
  303    HB   ILE  40           HB       ILE  40   7.565   2.076   0.568
  304   1HG1  ILE  40          HG12      ILE  40   9.616   0.331   1.969
  305   2HG1  ILE  40          HG11      ILE  40   9.276   2.010   2.380
  306   1HG2  ILE  40          HG21      ILE  40   8.675  -0.555  -0.408
  307   2HG2  ILE  40          HG22      ILE  40   7.169   0.243  -0.873
  308   3HG2  ILE  40          HG23      ILE  40   7.311  -0.527   0.708
  309   1HD1  ILE  40          HD11      ILE  40   7.155  -0.151   2.382
  310   2HD1  ILE  40          HD12      ILE  40   7.027   1.479   3.046
  311   3HD1  ILE  40          HD13      ILE  40   8.083   0.292   3.815
  312    H    ASP  41           HN       ASP  41  10.985   2.544  -2.273
  313    HA   ASP  41           HA       ASP  41   8.735   2.935  -4.173
  314   1HB   ASP  41          HB2       ASP  41  11.742   3.359  -4.338
  315   2HB   ASP  41          HB1       ASP  41  10.593   3.832  -5.590
  316    H    GLY  42           HN       GLY  42   8.868   0.310  -3.451
  317   1HA   GLY  42          HA2       GLY  42  10.657  -1.260  -5.107
  318   2HA   GLY  42          HA1       GLY  42   9.304  -1.871  -4.154
  319    H    GLU  43           HN       GLU  43   8.218  -3.085  -5.604
  320    HA   GLU  43           HA       GLU  43   7.402  -1.837  -8.165
  321   1HB   GLU  43          HB2       GLU  43   7.841  -4.703  -7.295
  322   2HB   GLU  43          HB1       GLU  43   7.108  -4.275  -8.841
  323   1HG   GLU  43          HG2       GLU  43   9.777  -3.145  -7.998
  324   2HG   GLU  43          HG1       GLU  43   9.652  -4.696  -8.829
  325    H    TRP  44           HN       TRP  44   5.427  -0.928  -7.636
  326    HA   TRP  44           HA       TRP  44   3.613  -2.103  -5.753
  327   1HB   TRP  44          HB2       TRP  44   3.501   0.151  -7.742
  328   2HB   TRP  44          HB1       TRP  44   2.112  -0.268  -6.729
  329    HD1  TRP  44           HD1      TRP  44   5.887   0.439  -6.267
  330    HE1  TRP  44           HE1      TRP  44   6.204   1.637  -4.008
  331    HE3  TRP  44           HE3      TRP  44   1.054   0.504  -4.616
  332    HZ2  TRP  44           HZ2      TRP  44   4.625   2.480  -1.795
  333    HZ3  TRP  44           HZ3      TRP  44   0.491   1.519  -2.426
  334    HH2  TRP  44           HH2      TRP  44   2.270   2.514  -1.014
  335    H    THR  45           HN       THR  45   1.790  -3.250  -6.062
  336    HA   THR  45           HA       THR  45   0.747  -3.819  -8.763
  337    HB   THR  45           HB       THR  45   0.906  -6.329  -8.099
  338    HG1  THR  45           HG1      THR  45   3.042  -5.298  -6.552
  339   1HG2  THR  45          HG21      THR  45   2.380  -4.812  -9.745
  340   2HG2  THR  45          HG22      THR  45   2.756  -6.510  -9.451
  341   3HG2  THR  45          HG23      THR  45   3.639  -5.250  -8.590
  342    H    TYR  46           HN       TYR  46  -1.451  -3.973  -8.583
  343    HA   TYR  46           HA       TYR  46  -2.607  -4.109  -5.837
  344   1HB   TYR  46          HB2       TYR  46  -3.148  -2.124  -7.068
  345   2HB   TYR  46          HB1       TYR  46  -3.477  -3.033  -8.537
  346    HD1  TYR  46           HD1      TYR  46  -5.637  -3.891  -8.996
  347    HD2  TYR  46           HD2      TYR  46  -4.738  -2.357  -5.085
  348    HE1  TYR  46           HE1      TYR  46  -8.041  -3.992  -8.404
  349    HE2  TYR  46           HE2      TYR  46  -7.141  -2.459  -4.494
  350    HH   TYR  46           HH       TYR  46  -9.443  -4.107  -6.432
  351    H    ASP  47           HN       ASP  47  -2.953  -6.285  -5.403
  352    HA   ASP  47           HA       ASP  47  -3.876  -8.171  -7.449
  353   1HB   ASP  47          HB2       ASP  47  -2.978  -8.144  -4.625
  354   2HB   ASP  47          HB1       ASP  47  -4.140  -9.411  -5.022
  355    H    ASP  48           HN       ASP  48  -5.982  -7.921  -8.116
  356    HA   ASP  48           HA       ASP  48  -8.100  -6.755  -6.569
  357   1HB   ASP  48          HB2       ASP  48  -7.675  -7.413  -9.165
  358   2HB   ASP  48          HB1       ASP  48  -8.729  -8.745  -8.688
  359    H    ALA  49           HN       ALA  49  -6.781  -9.992  -6.653
  360    HA   ALA  49           HA       ALA  49  -8.911 -11.614  -5.854
  361   1HB   ALA  49          HB1       ALA  49  -7.215 -13.104  -5.161
  362   2HB   ALA  49          HB2       ALA  49  -6.171 -11.793  -4.612
  363   3HB   ALA  49          HB3       ALA  49  -6.396 -12.077  -6.338
  364    H    THR  50           HN       THR  50  -6.988  -9.379  -3.882
  365    HA   THR  50           HA       THR  50  -9.037  -9.583  -1.727
  366    HB   THR  50           HB       THR  50  -7.188  -9.856  -0.073
  367    HG1  THR  50           HG1      THR  50  -5.264  -9.481  -0.773
  368   1HG2  THR  50          HG21      THR  50  -6.837 -12.190  -0.475
  369   2HG2  THR  50          HG22      THR  50  -7.039 -11.987  -2.215
  370   3HG2  THR  50          HG23      THR  50  -8.425 -11.806  -1.139
  371    H    LYS  51           HN       LYS  51  -7.716  -7.533  -3.796
  372    HA   LYS  51           HA       LYS  51  -7.196  -5.228  -3.808
  373   1HB   LYS  51          HB2       LYS  51  -9.382  -5.837  -2.035
  374   2HB   LYS  51          HB1       LYS  51  -8.472  -4.489  -1.354
  375   1HG   LYS  51          HG2       LYS  51  -9.749  -3.242  -2.773
  376   2HG   LYS  51          HG1       LYS  51  -8.556  -3.748  -3.970
  377   1HD   LYS  51          HD2       LYS  51 -10.732  -4.217  -4.896
  378   2HD   LYS  51          HD1       LYS  51 -10.019  -5.763  -4.434
  379   1HE   LYS  51          HE2       LYS  51 -11.531  -6.100  -2.731
  380   2HE   LYS  51          HE1       LYS  51 -11.642  -4.369  -2.353
  381   1HZ   LYS  51          HZ1       LYS  51 -12.845  -4.019  -4.411
  382   2HZ   LYS  51          HZ2       LYS  51 -13.656  -5.167  -3.457
  383   3HZ   LYS  51          HZ3       LYS  51 -12.735  -5.668  -4.794
  384    H    THR  52           HN       THR  52  -4.871  -5.698  -3.326
  385    HA   THR  52           HA       THR  52  -4.077  -4.481  -0.735
  386    HB   THR  52           HB       THR  52  -3.081  -7.179  -1.690
  387    HG1  THR  52           HG1      THR  52  -4.851  -6.580   0.439
  388   1HG2  THR  52          HG21      THR  52  -1.403  -6.432  -0.298
  389   2HG2  THR  52          HG22      THR  52  -2.494  -7.103   0.915
  390   3HG2  THR  52          HG23      THR  52  -2.481  -5.367   0.604
  391    H    PHE  53           HN       PHE  53  -2.802  -2.826  -1.494
  392    HA   PHE  53           HA       PHE  53  -1.265  -2.886  -3.938
  393   1HB   PHE  53          HB2       PHE  53  -1.163  -1.213  -1.407
  394   2HB   PHE  53          HB1       PHE  53  -0.208  -0.846  -2.843
  395    HD1  PHE  53           HD1      PHE  53  -1.247  -0.021  -4.878
  396    HD2  PHE  53           HD2      PHE  53  -3.620  -1.024  -1.444
  397    HE1  PHE  53           HE1      PHE  53  -3.198   1.132  -5.888
  398    HE2  PHE  53           HE2      PHE  53  -5.570   0.127  -2.448
  399    HZ   PHE  53           HZ       PHE  53  -5.359   1.206  -4.673
  400    H    THR  54           HN       THR  54   0.406  -4.331  -4.176
  401    HA   THR  54           HA       THR  54   2.013  -5.071  -1.764
  402    HB   THR  54           HB       THR  54   1.747  -6.301  -4.521
  403    HG1  THR  54           HG1      THR  54   0.622  -7.018  -2.022
  404   1HG2  THR  54          HG21      THR  54   2.615  -7.969  -2.261
  405   2HG2  THR  54          HG22      THR  54   3.774  -6.715  -2.704
  406   3HG2  THR  54          HG23      THR  54   3.242  -7.890  -3.907
  407    H    VAL  55           HN       VAL  55   3.673  -3.448  -1.638
  408    HA   VAL  55           HA       VAL  55   5.328  -3.035  -4.049
  409    HB   VAL  55           HB       VAL  55   4.500  -1.030  -2.770
  410   1HG1  VAL  55          HG11      VAL  55   5.358  -0.527  -0.597
  411   2HG1  VAL  55          HG12      VAL  55   6.427  -1.940  -0.649
  412   3HG1  VAL  55          HG13      VAL  55   4.679  -2.159  -0.516
  413   1HG2  VAL  55          HG21      VAL  55   6.613   0.136  -2.784
  414   2HG2  VAL  55          HG22      VAL  55   6.613  -1.018  -4.117
  415   3HG2  VAL  55          HG23      VAL  55   7.495  -1.381  -2.633
  416    H    THR  56           HN       THR  56   7.731  -3.067  -3.634
  417    HA   THR  56           HA       THR  56   8.711  -4.631  -1.351
  418    HB   THR  56           HB       THR  56   8.681  -5.676  -4.195
  419    HG1  THR  56           HG1      THR  56   7.412  -6.670  -1.869
  420   1HG2  THR  56          HG21      THR  56  10.590  -6.195  -2.311
  421   2HG2  THR  56          HG22      THR  56  10.114  -7.335  -3.568
  422   3HG2  THR  56          HG23      THR  56   9.414  -7.459  -1.954
  423    H    GLU  57           HN       GLU  57  10.473  -3.318  -0.934
  424    HA   GLU  57           HA       GLU  57  12.041  -2.135  -3.150
  425   1HB   GLU  57          HB2       GLU  57  11.244  -1.167  -0.796
  426   2HB   GLU  57          HB1       GLU  57  12.745  -1.913  -0.246
  427   1HG   GLU  57          HG2       GLU  57  12.919  -0.306  -2.741
  428   2HG   GLU  57          HG1       GLU  57  12.641   0.595  -1.250
  Start of MODEL   39
    1   1H    MET   1          HT1       MET   1 -17.378   2.834   3.589
    2   2H    MET   1          HT2       MET   1 -17.019   1.203   3.275
    3   3H    MET   1          HT3       MET   1 -17.195   2.300   1.989
    4    HA   MET   1           HA       MET   1 -15.191   3.424   2.529
    5   1HB   MET   1          HB2       MET   1 -14.015   2.811   4.642
    6   2HB   MET   1          HB1       MET   1 -15.635   3.439   4.943
    7   1HG   MET   1          HG2       MET   1 -16.514   1.242   5.323
    8   2HG   MET   1          HG1       MET   1 -15.048   0.479   4.709
    9   1HE   MET   1          HE1       MET   1 -15.950  -0.702   7.122
   10   2HE   MET   1          HE2       MET   1 -14.642  -0.608   8.299
   11   3HE   MET   1          HE3       MET   1 -14.278  -0.984   6.617
   12    H    THR   2           HN       THR   2 -13.205   2.622   1.736
   13    HA   THR   2           HA       THR   2 -13.211  -0.270   0.979
   14    HB   THR   2           HB       THR   2 -11.424   1.930  -0.069
   15    HG1  THR   2           HG1      THR   2 -13.434   2.739  -0.380
   16   1HG2  THR   2          HG21      THR   2 -11.716   0.473  -2.159
   17   2HG2  THR   2          HG22      THR   2 -12.430  -0.729  -1.081
   18   3HG2  THR   2          HG23      THR   2 -10.760  -0.212  -0.842
   19    H    THR   3           HN       THR   3 -12.010  -1.504   2.367
   20    HA   THR   3           HA       THR   3  -9.832  -0.344   3.933
   21    HB   THR   3           HB       THR   3 -10.846  -3.190   3.813
   22    HG1  THR   3           HG1      THR   3 -12.620  -2.370   4.544
   23   1HG2  THR   3          HG21      THR   3 -10.186  -2.849   6.351
   24   2HG2  THR   3          HG22      THR   3  -9.162  -1.575   5.690
   25   3HG2  THR   3          HG23      THR   3  -8.953  -3.242   5.153
   26    H    PHE   4           HN       PHE   4  -8.283   0.043   2.166
   27    HA   PHE   4           HA       PHE   4  -7.363  -2.152   0.477
   28   1HB   PHE   4          HB2       PHE   4  -6.397   0.643   1.128
   29   2HB   PHE   4          HB1       PHE   4  -5.546  -0.402  -0.007
   30    HD1  PHE   4           HD1      PHE   4  -6.880  -1.370  -1.982
   31    HD2  PHE   4           HD2      PHE   4  -8.282   1.876   0.457
   32    HE1  PHE   4           HE1      PHE   4  -8.485  -0.724  -3.761
   33    HE2  PHE   4           HE2      PHE   4  -9.885   2.520  -1.321
   34    HZ   PHE   4           HZ       PHE   4  -9.987   1.218  -3.428
   35    H    LYS   5           HN       LYS   5  -4.946  -2.750   0.544
   36    HA   LYS   5           HA       LYS   5  -3.834  -2.774   3.318
   37   1HB   LYS   5          HB2       LYS   5  -4.682  -5.063   1.565
   38   2HB   LYS   5          HB1       LYS   5  -3.336  -5.288   2.683
   39   1HG   LYS   5          HG2       LYS   5  -4.711  -4.702   4.574
   40   2HG   LYS   5          HG1       LYS   5  -6.039  -4.211   3.522
   41   1HD   LYS   5          HD2       LYS   5  -4.947  -7.011   3.369
   42   2HD   LYS   5          HD1       LYS   5  -6.117  -6.582   4.618
   43   1HE   LYS   5          HE2       LYS   5  -6.822  -5.659   1.889
   44   2HE   LYS   5          HE1       LYS   5  -6.847  -7.417   2.129
   45   1HZ   LYS   5          HZ1       LYS   5  -8.199  -5.378   3.815
   46   2HZ   LYS   5          HZ2       LYS   5  -8.109  -7.031   4.197
   47   3HZ   LYS   5          HZ3       LYS   5  -8.953  -6.520   2.813
   48    H    LEU   6           HN       LEU   6  -1.951  -1.626   2.864
   49    HA   LEU   6           HA       LEU   6  -0.410  -2.180   0.398
   50   1HB   LEU   6          HB2       LEU   6  -0.926   0.079   1.688
   51   2HB   LEU   6          HB1       LEU   6   0.455  -0.398   2.659
   52    HG   LEU   6           HG       LEU   6   0.364   0.695  -0.081
   53   1HD1  LEU   6          HD11      LEU   6   2.220   0.601   2.266
   54   2HD1  LEU   6          HD12      LEU   6   1.574   1.993   1.396
   55   3HD1  LEU   6          HD13      LEU   6   2.876   1.038   0.688
   56   1HD2  LEU   6          HD21      LEU   6   2.156  -1.690   0.502
   57   2HD2  LEU   6          HD22      LEU   6   2.475  -0.530  -0.789
   58   3HD2  LEU   6          HD23      LEU   6   1.011  -1.514  -0.828
   59    H    ILE   7           HN       ILE   7   0.783  -4.097   0.565
   60    HA   ILE   7           HA       ILE   7   1.807  -5.146   3.037
   61    HB   ILE   7           HB       ILE   7   1.389  -6.128   0.568
   62   1HG1  ILE   7          HG12      ILE   7   3.000  -8.012   1.255
   63   2HG1  ILE   7          HG11      ILE   7   3.354  -7.021   2.672
   64   1HG2  ILE   7          HG21      ILE   7   3.390  -4.755  -0.295
   65   2HG2  ILE   7          HG22      ILE   7   3.335  -6.461  -0.732
   66   3HG2  ILE   7          HG23      ILE   7   4.399  -5.917   0.564
   67   1HD1  ILE   7          HD11      ILE   7   0.816  -8.414   1.915
   68   2HD1  ILE   7          HD12      ILE   7   0.699  -6.899   2.811
   69   3HD1  ILE   7          HD13      ILE   7   1.583  -8.263   3.496
   70    H    ILE   8           HN       ILE   8   4.149  -5.256   3.627
   71    HA   ILE   8           HA       ILE   8   5.635  -2.819   2.703
   72    HB   ILE   8           HB       ILE   8   5.480  -4.103   5.450
   73   1HG1  ILE   8          HG12      ILE   8   3.414  -2.909   4.807
   74   2HG1  ILE   8          HG11      ILE   8   4.271  -2.036   6.075
   75   1HG2  ILE   8          HG21      ILE   8   7.677  -2.956   4.767
   76   2HG2  ILE   8          HG22      ILE   8   6.904  -2.370   6.239
   77   3HG2  ILE   8          HG23      ILE   8   6.754  -1.454   4.740
   78   1HD1  ILE   8          HD11      ILE   8   3.538  -0.447   4.381
   79   2HD1  ILE   8          HD12      ILE   8   4.299  -1.400   3.109
   80   3HD1  ILE   8          HD13      ILE   8   5.295  -0.580   4.311
   81    H    ASN   9           HN       ASN   9   6.588  -4.431   1.118
   82    HA   ASN   9           HA       ASN   9   8.512  -6.350   2.336
   83   1HB   ASN   9          HB2       ASN   9   6.939  -6.135  -0.081
   84   2HB   ASN   9          HB1       ASN   9   8.640  -6.288  -0.516
   85   1HD2  ASN   9          HD21      ASN   9   6.119  -8.238  -0.340
   86   2HD2  ASN   9          HD22      ASN   9   6.798  -9.626   0.364
   87    H    GLY  10           HN       GLY  10   9.132  -3.736   2.911
   88   1HA   GLY  10          HA2       GLY  10  11.317  -3.037   0.999
   89   2HA   GLY  10          HA1       GLY  10  10.485  -1.860   2.016
   90    H    LYS  11           HN       LYS  11  13.351  -2.400   1.902
   91    HA   LYS  11           HA       LYS  11  14.177  -3.912   4.228
   92   1HB   LYS  11          HB2       LYS  11  15.455  -3.145   2.102
   93   2HB   LYS  11          HB1       LYS  11  15.679  -1.623   2.963
   94   1HG   LYS  11          HG2       LYS  11  16.284  -4.026   4.570
   95   2HG   LYS  11          HG1       LYS  11  17.348  -3.794   3.183
   96   1HD   LYS  11          HD2       LYS  11  17.729  -1.434   3.933
   97   2HD   LYS  11          HD1       LYS  11  16.781  -1.781   5.379
   98   1HE   LYS  11          HE2       LYS  11  18.772  -2.414   6.301
   99   2HE   LYS  11          HE1       LYS  11  18.605  -3.882   5.317
  100   1HZ   LYS  11          HZ1       LYS  11  20.673  -2.875   4.748
  101   2HZ   LYS  11          HZ2       LYS  11  19.954  -1.349   4.550
  102   3HZ   LYS  11          HZ3       LYS  11  19.612  -2.601   3.453
  103    H    THR  12           HN       THR  12  12.686  -0.820   3.878
  104    HA   THR  12           HA       THR  12  13.885   0.367   6.289
  105    HB   THR  12           HB       THR  12  11.481   1.255   4.674
  106    HG1  THR  12           HG1      THR  12  12.798   1.906   3.158
  107   1HG2  THR  12          HG21      THR  12  13.580   2.917   6.072
  108   2HG2  THR  12          HG22      THR  12  12.118   2.364   6.890
  109   3HG2  THR  12          HG23      THR  12  11.995   3.430   5.491
  110    H    LEU  13           HN       LEU  13  10.838  -1.207   5.328
  111    HA   LEU  13           HA       LEU  13  10.158  -1.491   8.226
  112   1HB   LEU  13          HB2       LEU  13   8.563  -0.168   6.033
  113   2HB   LEU  13          HB1       LEU  13   7.761  -0.847   7.450
  114    HG   LEU  13           HG       LEU  13  10.023   1.167   7.583
  115   1HD1  LEU  13          HD11      LEU  13   7.019   1.483   7.635
  116   2HD1  LEU  13          HD12      LEU  13   8.191   2.350   6.643
  117   3HD1  LEU  13          HD13      LEU  13   8.089   2.675   8.373
  118   1HD2  LEU  13          HD21      LEU  13   8.850   1.368   9.946
  119   2HD2  LEU  13          HD22      LEU  13  10.019   0.082   9.646
  120   3HD2  LEU  13          HD23      LEU  13   8.291  -0.263   9.575
  121    H    LYS  14           HN       LYS  14   8.209  -3.034   8.436
  122    HA   LYS  14           HA       LYS  14   7.798  -4.904   6.194
  123   1HB   LYS  14          HB2       LYS  14   9.958  -5.269   7.864
  124   2HB   LYS  14          HB1       LYS  14   8.727  -6.263   8.643
  125   1HG   LYS  14          HG2       LYS  14   9.056  -6.460   5.671
  126   2HG   LYS  14          HG1       LYS  14  10.236  -7.264   6.707
  127   1HD   LYS  14          HD2       LYS  14   8.662  -8.723   7.602
  128   2HD   LYS  14          HD1       LYS  14   7.316  -7.628   7.285
  129   1HE   LYS  14          HE2       LYS  14   7.097  -9.393   5.672
  130   2HE   LYS  14          HE1       LYS  14   7.808  -8.035   4.777
  131   1HZ   LYS  14          HZ1       LYS  14   9.117  -9.991   4.368
  132   2HZ   LYS  14          HZ2       LYS  14   9.275 -10.295   6.032
  133   3HZ   LYS  14          HZ3       LYS  14  10.020  -8.934   5.340
  134    H    GLY  15           HN       GLY  15   5.789  -5.883   6.394
  135   1HA   GLY  15          HA2       GLY  15   4.294  -6.967   8.240
  136   2HA   GLY  15          HA1       GLY  15   4.276  -5.331   8.898
  137    H    GLU  16           HN       GLU  16   2.165  -4.719   8.526
  138    HA   GLU  16           HA       GLU  16   1.311  -4.530   5.668
  139   1HB   GLU  16          HB2       GLU  16   0.451  -6.537   7.220
  140   2HB   GLU  16          HB1       GLU  16  -0.684  -5.299   7.758
  141   1HG   GLU  16          HG2       GLU  16  -1.225  -4.858   5.332
  142   2HG   GLU  16          HG1       GLU  16  -0.251  -6.270   4.922
  143    H    THR  17           HN       THR  17  -0.559  -2.982   5.446
  144    HA   THR  17           HA       THR  17  -0.964  -1.091   7.694
  145    HB   THR  17           HB       THR  17   0.031  -0.134   5.003
  146    HG1  THR  17           HG1      THR  17   2.073  -0.170   5.829
  147   1HG2  THR  17          HG21      THR  17   0.213   1.936   6.011
  148   2HG2  THR  17          HG22      THR  17   0.478   1.249   7.613
  149   3HG2  THR  17          HG23      THR  17  -1.146   1.282   6.925
  150    H    THR  18           HN       THR  18  -3.091  -0.485   7.661
  151    HA   THR  18           HA       THR  18  -4.563  -0.581   5.045
  152    HB   THR  18           HB       THR  18  -6.501  -1.326   6.514
  153    HG1  THR  18           HG1      THR  18  -5.805  -0.708   8.505
  154   1HG2  THR  18          HG21      THR  18  -4.286  -3.293   6.885
  155   2HG2  THR  18          HG22      THR  18  -4.681  -2.796   5.239
  156   3HG2  THR  18          HG23      THR  18  -5.915  -3.542   6.256
  157    H    THR  19           HN       THR  19  -6.156   1.055   4.759
  158    HA   THR  19           HA       THR  19  -6.556   3.061   6.907
  159    HB   THR  19           HB       THR  19  -4.500   3.733   5.719
  160    HG1  THR  19           HG1      THR  19  -6.702   5.325   4.919
  161   1HG2  THR  19          HG21      THR  19  -5.939   4.282   3.185
  162   2HG2  THR  19          HG22      THR  19  -5.590   2.585   3.516
  163   3HG2  THR  19          HG23      THR  19  -4.275   3.759   3.446
  164    H    GLU  20           HN       GLU  20  -8.675   3.695   6.855
  165    HA   GLU  20           HA       GLU  20 -10.573   2.705   4.964
  166   1HB   GLU  20          HB2       GLU  20 -10.488   4.823   7.094
  167   2HB   GLU  20          HB1       GLU  20 -11.910   4.713   6.055
  168   1HG   GLU  20          HG2       GLU  20 -12.385   3.320   7.933
  169   2HG   GLU  20          HG1       GLU  20 -11.952   2.218   6.625
  170    H    ALA  21           HN       ALA  21 -10.744   3.317   2.850
  171    HA   ALA  21           HA       ALA  21 -10.472   6.212   2.159
  172   1HB   ALA  21          HB1       ALA  21  -8.724   5.817   0.712
  173   2HB   ALA  21          HB2       ALA  21  -9.293   4.197   0.310
  174   3HB   ALA  21          HB3       ALA  21  -8.426   4.478   1.820
  175    H    VAL  22           HN       VAL  22 -11.563   6.749   0.140
  176    HA   VAL  22           HA       VAL  22 -14.043   5.368  -0.291
  177    HB   VAL  22           HB       VAL  22 -13.612   7.782  -0.700
  178   1HG1  VAL  22          HG11      VAL  22 -12.025   6.803  -3.096
  179   2HG1  VAL  22          HG12      VAL  22 -11.327   7.531  -1.651
  180   3HG1  VAL  22          HG13      VAL  22 -12.374   8.485  -2.699
  181   1HG2  VAL  22          HG21      VAL  22 -14.845   7.945  -2.814
  182   2HG2  VAL  22          HG22      VAL  22 -15.490   6.623  -1.842
  183   3HG2  VAL  22          HG23      VAL  22 -14.427   6.277  -3.206
  184    H    ASP  23           HN       ASP  23 -10.922   5.279  -1.988
  185    HA   ASP  23           HA       ASP  23 -11.371   2.629  -3.050
  186   1HB   ASP  23          HB2       ASP  23 -12.858   4.401  -4.373
  187   2HB   ASP  23          HB1       ASP  23 -11.340   4.700  -5.218
  188    H    ALA  24           HN       ALA  24  -9.669   2.456  -5.105
  189    HA   ALA  24           HA       ALA  24  -7.077   2.673  -4.056
  190   1HB   ALA  24          HB1       ALA  24  -8.291   2.388  -6.781
  191   2HB   ALA  24          HB2       ALA  24  -7.333   1.226  -5.862
  192   3HB   ALA  24          HB3       ALA  24  -6.544   2.594  -6.647
  193    H    ALA  25           HN       ALA  25  -9.011   5.113  -5.652
  194    HA   ALA  25           HA       ALA  25  -7.019   6.897  -6.603
  195   1HB   ALA  25          HB1       ALA  25  -9.113   7.583  -7.223
  196   2HB   ALA  25          HB2       ALA  25  -9.025   8.535  -5.741
  197   3HB   ALA  25          HB3       ALA  25  -9.854   6.978  -5.742
  198    H    THR  26           HN       THR  26  -8.497   6.666  -3.355
  199    HA   THR  26           HA       THR  26  -6.634   8.735  -2.318
  200    HB   THR  26           HB       THR  26  -8.832   7.158  -0.944
  201    HG1  THR  26           HG1      THR  26 -10.032   9.123  -1.410
  202   1HG2  THR  26          HG21      THR  26  -8.661   8.678   0.794
  203   2HG2  THR  26          HG22      THR  26  -7.999   9.944  -0.240
  204   3HG2  THR  26          HG23      THR  26  -6.976   8.605   0.280
  205    H    ALA  27           HN       ALA  27  -7.237   5.263  -2.157
  206    HA   ALA  27           HA       ALA  27  -5.686   4.569   0.125
  207   1HB   ALA  27          HB1       ALA  27  -5.647   2.842  -2.312
  208   2HB   ALA  27          HB2       ALA  27  -7.224   3.261  -1.646
  209   3HB   ALA  27          HB3       ALA  27  -6.041   2.417  -0.647
  210    H    GLU  28           HN       GLU  28  -4.642   4.296  -3.292
  211    HA   GLU  28           HA       GLU  28  -1.866   3.903  -2.750
  212   1HB   GLU  28          HB2       GLU  28  -3.165   3.501  -4.887
  213   2HB   GLU  28          HB1       GLU  28  -3.135   5.243  -5.159
  214   1HG   GLU  28          HG2       GLU  28  -0.685   5.231  -5.160
  215   2HG   GLU  28          HG1       GLU  28  -0.677   3.501  -4.812
  216    H    LYS  29           HN       LYS  29  -3.759   6.888  -3.175
  217    HA   LYS  29           HA       LYS  29  -1.595   8.738  -3.390
  218   1HB   LYS  29          HB2       LYS  29  -4.097   9.085  -3.734
  219   2HB   LYS  29          HB1       LYS  29  -4.242   9.172  -1.978
  220   1HG   LYS  29          HG2       LYS  29  -2.504  11.006  -2.013
  221   2HG   LYS  29          HG1       LYS  29  -2.627  11.002  -3.772
  222   1HD   LYS  29          HD2       LYS  29  -5.242  11.175  -3.180
  223   2HD   LYS  29          HD1       LYS  29  -4.585  11.952  -1.739
  224   1HE   LYS  29          HE2       LYS  29  -3.501  13.649  -3.018
  225   2HE   LYS  29          HE1       LYS  29  -3.714  12.748  -4.532
  226   1HZ   LYS  29          HZ1       LYS  29  -5.865  13.889  -2.827
  227   2HZ   LYS  29          HZ2       LYS  29  -6.138  12.880  -4.167
  228   3HZ   LYS  29          HZ3       LYS  29  -5.426  14.408  -4.381
  229    H    VAL  30           HN       VAL  30  -3.260   7.422  -0.521
  230    HA   VAL  30           HA       VAL  30  -1.577   8.935   1.351
  231    HB   VAL  30           HB       VAL  30  -3.604   6.686   1.634
  232   1HG1  VAL  30          HG11      VAL  30  -2.100   8.307   3.696
  233   2HG1  VAL  30          HG12      VAL  30  -2.272   6.553   3.599
  234   3HG1  VAL  30          HG13      VAL  30  -3.651   7.551   4.062
  235   1HG2  VAL  30          HG21      VAL  30  -4.723   8.884   2.760
  236   2HG2  VAL  30          HG22      VAL  30  -4.932   8.465   1.061
  237   3HG2  VAL  30          HG23      VAL  30  -3.719   9.655   1.532
  238    H    PHE  31           HN       PHE  31  -1.839   5.566   0.208
  239    HA   PHE  31           HA       PHE  31   0.226   4.490   1.908
  240   1HB   PHE  31          HB2       PHE  31  -1.178   3.697  -0.635
  241   2HB   PHE  31          HB1       PHE  31   0.171   2.728  -0.040
  242    HD1  PHE  31           HD1      PHE  31  -0.032   2.649   2.791
  243    HD2  PHE  31           HD2      PHE  31  -3.219   2.719  -0.088
  244    HE1  PHE  31           HE1      PHE  31  -1.536   1.555   4.430
  245    HE2  PHE  31           HE2      PHE  31  -4.723   1.628   1.553
  246    HZ   PHE  31           HZ       PHE  31  -3.882   1.045   3.811
  247    H    LYS  32           HN       LYS  32   0.252   5.878  -1.371
  248    HA   LYS  32           HA       LYS  32   2.972   5.250  -2.026
  249   1HB   LYS  32          HB2       LYS  32   1.214   6.006  -3.615
  250   2HB   LYS  32          HB1       LYS  32   1.214   7.596  -2.851
  251   1HG   LYS  32          HG2       LYS  32   2.731   8.084  -4.490
  252   2HG   LYS  32          HG1       LYS  32   3.866   7.321  -3.377
  253   1HD   LYS  32          HD2       LYS  32   4.074   5.440  -4.661
  254   2HD   LYS  32          HD1       LYS  32   2.386   5.479  -5.173
  255   1HE   LYS  32          HE2       LYS  32   2.827   7.152  -6.834
  256   2HE   LYS  32          HE1       LYS  32   4.445   7.468  -6.178
  257   1HZ   LYS  32          HZ1       LYS  32   5.085   5.214  -6.687
  258   2HZ   LYS  32          HZ2       LYS  32   4.506   5.959  -8.100
  259   3HZ   LYS  32          HZ3       LYS  32   3.529   4.855  -7.257
  260    H    GLN  33           HN       GLN  33   1.513   8.198  -0.591
  261    HA   GLN  33           HA       GLN  33   3.922   9.683  -0.244
  262   1HB   GLN  33          HB2       GLN  33   1.564  10.510  -0.037
  263   2HB   GLN  33          HB1       GLN  33   1.432   9.635   1.489
  264   1HG   GLN  33          HG2       GLN  33   1.999  11.874   2.088
  265   2HG   GLN  33          HG1       GLN  33   3.492  10.949   2.253
  266   1HE2  GLN  33          HE21      GLN  33   5.100  12.432   1.619
  267   2HE2  GLN  33          HE22      GLN  33   5.091  13.275   0.145
  268    H    TYR  34           HN       TYR  34   2.419   7.178   1.646
  269    HA   TYR  34           HA       TYR  34   4.050   7.386   4.020
  270   1HB   TYR  34          HB2       TYR  34   2.076   6.186   4.321
  271   2HB   TYR  34          HB1       TYR  34   2.149   5.462   2.720
  272    HD1  TYR  34           HD1      TYR  34   3.154   3.325   2.378
  273    HD2  TYR  34           HD2      TYR  34   3.539   5.321   6.154
  274    HE1  TYR  34           HE1      TYR  34   4.081   1.251   3.367
  275    HE2  TYR  34           HE2      TYR  34   4.469   3.247   7.158
  276    HH   TYR  34           HH       TYR  34   4.131   0.480   6.296
  277    H    ALA  35           HN       ALA  35   4.139   5.012   1.338
  278    HA   ALA  35           HA       ALA  35   6.677   3.866   1.989
  279   1HB   ALA  35          HB1       ALA  35   4.782   3.982  -0.306
  280   2HB   ALA  35          HB2       ALA  35   5.500   2.574   0.487
  281   3HB   ALA  35          HB3       ALA  35   6.436   3.497  -0.690
  282    H    ASN  36           HN       ASN  36   5.797   6.476  -0.283
  283    HA   ASN  36           HA       ASN  36   8.322   7.001  -1.406
  284   1HB   ASN  36          HB2       ASN  36   6.102   7.935  -2.080
  285   2HB   ASN  36          HB1       ASN  36   6.146   8.975  -0.656
  286   1HD2  ASN  36          HD21      ASN  36   8.039  10.539  -0.539
  287   2HD2  ASN  36          HD22      ASN  36   8.697  11.120  -1.992
  288    H    ASP  37           HN       ASP  37   6.887   8.288   1.596
  289    HA   ASP  37           HA       ASP  37   9.061  10.062   2.262
  290   1HB   ASP  37          HB2       ASP  37   6.687  10.057   3.145
  291   2HB   ASP  37          HB1       ASP  37   7.116   8.643   4.109
  292    H    ASN  38           HN       ASN  38   8.308   6.695   3.162
  293    HA   ASN  38           HA       ASN  38  10.603   6.371   4.914
  294   1HB   ASN  38          HB2       ASN  38   8.614   4.560   3.534
  295   2HB   ASN  38          HB1       ASN  38   9.931   3.897   4.503
  296   1HD2  ASN  38          HD21      ASN  38   6.850   5.557   4.652
  297   2HD2  ASN  38          HD22      ASN  38   6.738   5.608   6.345
  298    H    GLY  39           HN       GLY  39   9.875   5.196   1.607
  299   1HA   GLY  39          HA2       GLY  39  11.799   5.604  -0.031
  300   2HA   GLY  39          HA1       GLY  39  12.813   4.835   1.190
  301    H    ILE  40           HN       ILE  40   9.544   3.927   0.080
  302    HA   ILE  40           HA       ILE  40  10.613   1.199  -0.506
  303    HB   ILE  40           HB       ILE  40   7.815   2.255   0.027
  304   1HG1  ILE  40          HG12      ILE  40   9.679   0.549   1.712
  305   2HG1  ILE  40          HG11      ILE  40   9.378   2.267   1.969
  306   1HG2  ILE  40          HG21      ILE  40   8.868  -0.426  -0.795
  307   2HG2  ILE  40          HG22      ILE  40   7.335   0.346  -1.212
  308   3HG2  ILE  40          HG23      ILE  40   7.555  -0.384   0.380
  309   1HD1  ILE  40          HD11      ILE  40   7.315   0.048   2.116
  310   2HD1  ILE  40          HD12      ILE  40   6.959   1.767   2.295
  311   3HD1  ILE  40          HD13      ILE  40   7.978   0.947   3.481
  312    H    ASP  41           HN       ASP  41  11.347   2.726  -2.544
  313    HA   ASP  41           HA       ASP  41   9.262   3.028  -4.593
  314   1HB   ASP  41          HB2       ASP  41  11.215   3.752  -5.959
  315   2HB   ASP  41          HB1       ASP  41  11.186   4.567  -4.397
  316    H    GLY  42           HN       GLY  42   8.919   0.507  -3.991
  317   1HA   GLY  42          HA2       GLY  42  10.725  -1.262  -5.510
  318   2HA   GLY  42          HA1       GLY  42   9.373  -1.770  -4.495
  319    H    GLU  43           HN       GLU  43   8.205  -2.980  -5.908
  320    HA   GLU  43           HA       GLU  43   7.288  -1.677  -8.404
  321   1HB   GLU  43          HB2       GLU  43   7.103  -3.990  -9.301
  322   2HB   GLU  43          HB1       GLU  43   8.745  -3.628  -8.776
  323   1HG   GLU  43          HG2       GLU  43   7.418  -4.657  -6.495
  324   2HG   GLU  43          HG1       GLU  43   6.945  -5.695  -7.836
  325    H    TRP  44           HN       TRP  44   5.347  -0.828  -7.774
  326    HA   TRP  44           HA       TRP  44   3.626  -2.048  -5.841
  327   1HB   TRP  44          HB2       TRP  44   3.382   0.208  -7.815
  328   2HB   TRP  44          HB1       TRP  44   2.064  -0.225  -6.720
  329    HD1  TRP  44           HD1      TRP  44   5.795   0.742  -6.592
  330    HE1  TRP  44           HE1      TRP  44   6.243   1.897  -4.327
  331    HE3  TRP  44           HE3      TRP  44   1.205   0.225  -4.413
  332    HZ2  TRP  44           HZ2      TRP  44   4.838   2.504  -1.921
  333    HZ3  TRP  44           HZ3      TRP  44   0.790   1.098  -2.130
  334    HH2  TRP  44           HH2      TRP  44   2.602   2.240  -0.881
  335    H    THR  45           HN       THR  45   1.794  -3.190  -6.068
  336    HA   THR  45           HA       THR  45   0.629  -3.753  -8.722
  337    HB   THR  45           HB       THR  45   0.748  -6.262  -7.989
  338    HG1  THR  45           HG1      THR  45   2.132  -6.724  -6.455
  339   1HG2  THR  45          HG21      THR  45   2.698  -6.557  -9.298
  340   2HG2  THR  45          HG22      THR  45   3.378  -5.014  -8.780
  341   3HG2  THR  45          HG23      THR  45   2.001  -5.045  -9.882
  342    H    TYR  46           HN       TYR  46  -1.562  -3.825  -8.443
  343    HA   TYR  46           HA       TYR  46  -2.587  -3.915  -5.640
  344   1HB   TYR  46          HB2       TYR  46  -3.054  -1.873  -6.800
  345   2HB   TYR  46          HB1       TYR  46  -3.511  -2.722  -8.270
  346    HD1  TYR  46           HD1      TYR  46  -5.735  -3.508  -8.612
  347    HD2  TYR  46           HD2      TYR  46  -4.572  -1.966  -4.776
  348    HE1  TYR  46           HE1      TYR  46  -8.109  -3.470  -7.905
  349    HE2  TYR  46           HE2      TYR  46  -6.936  -1.926  -4.073
  350    HH   TYR  46           HH       TYR  46  -9.394  -3.515  -5.793
  351    H    ASP  47           HN       ASP  47  -3.792  -5.659  -5.031
  352    HA   ASP  47           HA       ASP  47  -4.621  -7.647  -7.094
  353   1HB   ASP  47          HB2       ASP  47  -3.250  -7.878  -4.755
  354   2HB   ASP  47          HB1       ASP  47  -4.892  -8.172  -4.183
  355    H    ASP  48           HN       ASP  48  -6.691  -7.260  -7.800
  356    HA   ASP  48           HA       ASP  48  -8.696  -5.827  -6.298
  357   1HB   ASP  48          HB2       ASP  48 -10.136  -6.559  -8.186
  358   2HB   ASP  48          HB1       ASP  48  -8.582  -5.950  -8.755
  359    H    ALA  49           HN       ALA  49  -7.780  -9.206  -6.462
  360    HA   ALA  49           HA       ALA  49 -10.101 -10.557  -5.688
  361   1HB   ALA  49          HB1       ALA  49  -7.258 -11.002  -4.732
  362   2HB   ALA  49          HB2       ALA  49  -7.895 -11.539  -6.286
  363   3HB   ALA  49          HB3       ALA  49  -8.532 -12.220  -4.788
  364    H    THR  50           HN       THR  50  -7.859  -8.694  -3.658
  365    HA   THR  50           HA       THR  50  -9.905  -8.663  -1.495
  366    HB   THR  50           HB       THR  50  -8.139  -9.335   0.132
  367    HG1  THR  50           HG1      THR  50  -6.186 -10.083  -0.694
  368   1HG2  THR  50          HG21      THR  50  -9.679 -10.989  -1.057
  369   2HG2  THR  50          HG22      THR  50  -8.199 -11.666  -0.377
  370   3HG2  THR  50          HG23      THR  50  -8.313 -11.355  -2.110
  371    H    LYS  51           HN       LYS  51  -8.288  -6.763  -3.472
  372    HA   LYS  51           HA       LYS  51  -7.406  -4.575  -3.385
  373   1HB   LYS  51          HB2       LYS  51  -9.585  -4.918  -1.535
  374   2HB   LYS  51          HB1       LYS  51  -8.429  -3.790  -0.829
  375   1HG   LYS  51          HG2       LYS  51  -9.537  -2.261  -2.104
  376   2HG   LYS  51          HG1       LYS  51  -8.495  -2.876  -3.388
  377   1HD   LYS  51          HD2       LYS  51 -10.771  -2.903  -4.210
  378   2HD   LYS  51          HD1       LYS  51 -10.284  -4.573  -3.918
  379   1HE   LYS  51          HE2       LYS  51 -12.012  -4.833  -2.475
  380   2HE   LYS  51          HE1       LYS  51 -11.406  -3.493  -1.484
  381   1HZ   LYS  51          HZ1       LYS  51 -12.385  -1.960  -3.152
  382   2HZ   LYS  51          HZ2       LYS  51 -13.546  -2.882  -2.322
  383   3HZ   LYS  51          HZ3       LYS  51 -13.109  -3.293  -3.911
  384    H    THR  52           HN       THR  52  -5.151  -4.987  -3.109
  385    HA   THR  52           HA       THR  52  -4.083  -4.305  -0.445
  386    HB   THR  52           HB       THR  52  -3.566  -6.995  -1.754
  387    HG1  THR  52           HG1      THR  52  -4.830  -7.803  -0.148
  388   1HG2  THR  52          HG21      THR  52  -1.755  -5.760  -0.291
  389   2HG2  THR  52          HG22      THR  52  -2.087  -7.471  -0.023
  390   3HG2  THR  52          HG23      THR  52  -2.789  -6.259   1.047
  391    H    PHE  53           HN       PHE  53  -2.790  -2.641  -1.280
  392    HA   PHE  53           HA       PHE  53  -1.332  -2.754  -3.768
  393   1HB   PHE  53          HB2       PHE  53  -0.937  -1.157  -1.210
  394   2HB   PHE  53          HB1       PHE  53  -0.125  -0.805  -2.733
  395    HD1  PHE  53           HD1      PHE  53  -1.494  -0.190  -4.756
  396    HD2  PHE  53           HD2      PHE  53  -3.186  -0.499  -0.823
  397    HE1  PHE  53           HE1      PHE  53  -3.464   1.120  -5.503
  398    HE2  PHE  53           HE2      PHE  53  -5.160   0.809  -1.565
  399    HZ   PHE  53           HZ       PHE  53  -5.296   1.621  -3.908
  400    H    THR  54           HN       THR  54   0.552  -3.888  -4.181
  401    HA   THR  54           HA       THR  54   2.083  -4.890  -1.792
  402    HB   THR  54           HB       THR  54   1.678  -6.125  -4.528
  403    HG1  THR  54           HG1      THR  54   0.561  -6.729  -1.996
  404   1HG2  THR  54          HG21      THR  54   3.730  -6.606  -2.773
  405   2HG2  THR  54          HG22      THR  54   3.099  -7.788  -3.919
  406   3HG2  THR  54          HG23      THR  54   2.529  -7.788  -2.251
  407    H    VAL  55           HN       VAL  55   3.864  -3.449  -1.701
  408    HA   VAL  55           HA       VAL  55   5.402  -3.040  -4.194
  409    HB   VAL  55           HB       VAL  55   4.614  -1.021  -2.904
  410   1HG1  VAL  55          HG11      VAL  55   4.916  -2.115  -0.647
  411   2HG1  VAL  55          HG12      VAL  55   5.584  -0.483  -0.778
  412   3HG1  VAL  55          HG13      VAL  55   6.654  -1.891  -0.867
  413   1HG2  VAL  55          HG21      VAL  55   7.619  -1.320  -2.892
  414   2HG2  VAL  55          HG22      VAL  55   6.693   0.166  -3.097
  415   3HG2  VAL  55          HG23      VAL  55   6.677  -1.064  -4.361
  416    H    THR  56           HN       THR  56   7.822  -3.064  -3.864
  417    HA   THR  56           HA       THR  56   8.914  -4.585  -1.607
  418    HB   THR  56           HB       THR  56   8.661  -5.719  -4.409
  419    HG1  THR  56           HG1      THR  56   6.956  -6.602  -3.616
  420   1HG2  THR  56          HG21      THR  56  10.827  -6.322  -3.420
  421   2HG2  THR  56          HG22      THR  56   9.768  -7.732  -3.467
  422   3HG2  THR  56          HG23      THR  56  10.018  -6.867  -1.950
  423    H    GLU  57           HN       GLU  57  10.822  -3.462  -1.321
  424    HA   GLU  57           HA       GLU  57  12.122  -1.960  -3.445
  425   1HB   GLU  57          HB2       GLU  57  12.374  -2.468  -0.559
  426   2HB   GLU  57          HB1       GLU  57  13.928  -2.235  -1.355
  427   1HG   GLU  57          HG2       GLU  57  11.780  -0.334  -2.123
  428   2HG   GLU  57          HG1       GLU  57  12.396  -0.180  -0.478
  Start of MODEL   40
    1   1H    MET   1          HT1       MET   1  17.581  -2.484   3.358
    2   2H    MET   1          HT2       MET   1  17.060  -0.870   3.457
    3   3H    MET   1          HT3       MET   1  17.276  -1.605   1.940
    4    HA   MET   1           HA       MET   1  15.424  -3.066   2.291
    5   1HB   MET   1          HB2       MET   1  15.980  -2.105   5.045
    6   2HB   MET   1          HB1       MET   1  14.279  -2.374   4.662
    7   1HG   MET   1          HG2       MET   1  16.418  -4.426   4.064
    8   2HG   MET   1          HG1       MET   1  15.539  -4.391   5.593
    9   1HE   MET   1          HE1       MET   1  14.371  -7.160   2.742
   10   2HE   MET   1          HE2       MET   1  15.583  -6.889   3.991
   11   3HE   MET   1          HE3       MET   1  15.759  -6.112   2.420
   12    H    THR   2           HN       THR   2  13.889  -2.128   1.017
   13    HA   THR   2           HA       THR   2  13.384   0.768   1.121
   14    HB   THR   2           HB       THR   2  12.164  -1.473  -0.525
   15    HG1  THR   2           HG1      THR   2  14.400  -1.301  -0.806
   16   1HG2  THR   2          HG21      THR   2  11.601   0.354  -2.094
   17   2HG2  THR   2          HG22      THR   2  12.241   1.528  -0.943
   18   3HG2  THR   2          HG23      THR   2  10.812   0.578  -0.530
   19    H    THR   3           HN       THR   3  12.005   1.483   2.704
   20    HA   THR   3           HA       THR   3   9.817  -0.216   3.670
   21    HB   THR   3           HB       THR   3  10.570   2.565   4.564
   22    HG1  THR   3           HG1      THR   3  12.394   1.787   5.194
   23   1HG2  THR   3          HG21      THR   3   9.000   0.272   5.622
   24   2HG2  THR   3          HG22      THR   3   8.739   2.004   5.826
   25   3HG2  THR   3          HG23      THR   3   9.963   1.177   6.790
   26    H    PHE   4           HN       PHE   4   8.092  -0.126   2.211
   27    HA   PHE   4           HA       PHE   4   7.340   2.388   0.878
   28   1HB   PHE   4          HB2       PHE   4   6.250  -0.434   0.984
   29   2HB   PHE   4          HB1       PHE   4   5.498   0.837   0.023
   30    HD1  PHE   4           HD1      PHE   4   6.734   1.865  -1.875
   31    HD2  PHE   4           HD2      PHE   4   8.324  -1.447   0.350
   32    HE1  PHE   4           HE1      PHE   4   8.371   1.429  -3.689
   33    HE2  PHE   4           HE2      PHE   4   9.959  -1.880  -1.460
   34    HZ   PHE   4           HZ       PHE   4   9.981  -0.444  -3.478
   35    H    LYS   5           HN       LYS   5   4.773   2.768   0.957
   36    HA   LYS   5           HA       LYS   5   3.717   2.450   3.727
   37   1HB   LYS   5          HB2       LYS   5   5.121   4.633   3.158
   38   2HB   LYS   5          HB1       LYS   5   3.608   5.140   2.406
   39   1HG   LYS   5          HG2       LYS   5   2.410   4.981   4.452
   40   2HG   LYS   5          HG1       LYS   5   3.696   4.051   5.223
   41   1HD   LYS   5          HD2       LYS   5   4.466   6.727   4.186
   42   2HD   LYS   5          HD1       LYS   5   3.389   6.718   5.583
   43   1HE   LYS   5          HE2       LYS   5   4.956   5.607   6.945
   44   2HE   LYS   5          HE1       LYS   5   5.859   4.979   5.552
   45   1HZ   LYS   5          HZ1       LYS   5   6.499   7.214   4.966
   46   2HZ   LYS   5          HZ2       LYS   5   6.960   6.910   6.572
   47   3HZ   LYS   5          HZ3       LYS   5   5.588   7.858   6.244
   48    H    LEU   6           HN       LEU   6   1.771   1.462   3.298
   49    HA   LEU   6           HA       LEU   6   0.238   2.137   0.851
   50   1HB   LEU   6          HB2       LEU   6   0.761  -0.183   2.042
   51   2HB   LEU   6          HB1       LEU   6  -0.630   0.247   3.021
   52    HG   LEU   6           HG       LEU   6  -0.516  -0.772   0.266
   53   1HD1  LEU   6          HD11      LEU   6  -2.462  -0.626   2.544
   54   2HD1  LEU   6          HD12      LEU   6  -1.774  -2.040   1.745
   55   3HD1  LEU   6          HD13      LEU   6  -3.033  -1.101   0.944
   56   1HD2  LEU   6          HD21      LEU   6  -2.601   0.515  -0.453
   57   2HD2  LEU   6          HD22      LEU   6  -1.097   1.432  -0.503
   58   3HD2  LEU   6          HD23      LEU   6  -2.230   1.672   0.827
   59    H    ILE   7           HN       ILE   7  -1.056   3.972   1.073
   60    HA   ILE   7           HA       ILE   7  -2.020   4.967   3.597
   61    HB   ILE   7           HB       ILE   7  -1.697   5.999   1.146
   62   1HG1  ILE   7          HG12      ILE   7  -3.993   7.035   2.785
   63   2HG1  ILE   7          HG11      ILE   7  -2.346   7.059   3.416
   64   1HG2  ILE   7          HG21      ILE   7  -4.694   5.780   1.150
   65   2HG2  ILE   7          HG22      ILE   7  -3.725   4.528   0.375
   66   3HG2  ILE   7          HG23      ILE   7  -3.610   6.198  -0.176
   67   1HD1  ILE   7          HD11      ILE   7  -2.563   9.160   2.365
   68   2HD1  ILE   7          HD12      ILE   7  -3.447   8.482   0.998
   69   3HD1  ILE   7          HD13      ILE   7  -1.717   8.179   1.167
   70    H    ILE   8           HN       ILE   8  -4.568   5.212   3.897
   71    HA   ILE   8           HA       ILE   8  -5.899   2.641   3.129
   72    HB   ILE   8           HB       ILE   8  -5.817   3.948   5.866
   73   1HG1  ILE   8          HG12      ILE   8  -4.600   1.336   4.911
   74   2HG1  ILE   8          HG11      ILE   8  -3.689   2.825   5.159
   75   1HG2  ILE   8          HG21      ILE   8  -6.897   1.216   5.183
   76   2HG2  ILE   8          HG22      ILE   8  -7.925   2.647   5.119
   77   3HG2  ILE   8          HG23      ILE   8  -7.171   2.171   6.640
   78   1HD1  ILE   8          HD11      ILE   8  -3.451   1.495   7.157
   79   2HD1  ILE   8          HD12      ILE   8  -5.193   1.235   7.252
   80   3HD1  ILE   8          HD13      ILE   8  -4.523   2.841   7.541
   81    H    ASN   9           HN       ASN   9  -6.877   4.281   1.533
   82    HA   ASN   9           HA       ASN   9  -8.904   6.078   2.775
   83   1HB   ASN   9          HB2       ASN   9  -7.296   5.981   0.360
   84   2HB   ASN   9          HB1       ASN   9  -8.999   6.148  -0.061
   85   1HD2  ASN   9          HD21      ASN   9  -6.705   8.181  -0.109
   86   2HD2  ASN   9          HD22      ASN   9  -7.294   9.496   0.789
   87    H    GLY  10           HN       GLY  10  -9.461   3.451   3.273
   88   1HA   GLY  10          HA2       GLY  10 -11.509   2.662   1.246
   89   2HA   GLY  10          HA1       GLY  10 -10.736   1.545   2.375
   90    H    LYS  11           HN       LYS  11 -13.536   1.772   2.121
   91    HA   LYS  11           HA       LYS  11 -14.612   3.436   4.270
   92   1HB   LYS  11          HB2       LYS  11 -15.726   1.133   2.635
   93   2HB   LYS  11          HB1       LYS  11 -16.689   2.173   3.685
   94   1HG   LYS  11          HG2       LYS  11 -15.741   4.140   2.327
   95   2HG   LYS  11          HG1       LYS  11 -15.211   2.928   1.161
   96   1HD   LYS  11          HD2       LYS  11 -18.068   3.167   2.138
   97   2HD   LYS  11          HD1       LYS  11 -17.477   3.926   0.660
   98   1HE   LYS  11          HE2       LYS  11 -16.935   1.002   1.041
   99   2HE   LYS  11          HE1       LYS  11 -18.572   1.503   0.571
  100   1HZ   LYS  11          HZ1       LYS  11 -16.040   2.280  -0.779
  101   2HZ   LYS  11          HZ2       LYS  11 -17.580   2.873  -1.186
  102   3HZ   LYS  11          HZ3       LYS  11 -17.217   1.226  -1.395
  103    H    THR  12           HN       THR  12 -12.895   0.480   4.243
  104    HA   THR  12           HA       THR  12 -14.289  -0.588   6.636
  105    HB   THR  12           HB       THR  12 -13.779  -2.064   4.734
  106    HG1  THR  12           HG1      THR  12 -13.354  -3.581   6.106
  107   1HG2  THR  12          HG21      THR  12 -11.861  -1.125   3.725
  108   2HG2  THR  12          HG22      THR  12 -11.283  -2.633   4.430
  109   3HG2  THR  12          HG23      THR  12 -10.967  -1.103   5.243
  110    H    LEU  13           HN       LEU  13 -11.311   1.024   5.688
  111    HA   LEU  13           HA       LEU  13 -10.560   1.220   8.562
  112   1HB   LEU  13          HB2       LEU  13  -9.567  -0.804   7.067
  113   2HB   LEU  13          HB1       LEU  13  -8.385   0.447   6.689
  114    HG   LEU  13           HG       LEU  13  -8.243   0.854   9.220
  115   1HD1  LEU  13          HD11      LEU  13 -10.362  -0.462   9.666
  116   2HD1  LEU  13          HD12      LEU  13  -8.987  -0.920  10.671
  117   3HD1  LEU  13          HD13      LEU  13  -9.449  -1.925   9.297
  118   1HD2  LEU  13          HD21      LEU  13  -6.843  -1.324   9.492
  119   2HD2  LEU  13          HD22      LEU  13  -6.371  -0.186   8.230
  120   3HD2  LEU  13          HD23      LEU  13  -7.284  -1.636   7.812
  121    H    LYS  14           HN       LYS  14  -8.758   2.817   8.863
  122    HA   LYS  14           HA       LYS  14  -8.294   4.673   6.586
  123   1HB   LYS  14          HB2       LYS  14 -10.427   5.176   7.975
  124   2HB   LYS  14          HB1       LYS  14  -9.309   5.669   9.247
  125   1HG   LYS  14          HG2       LYS  14  -8.926   6.751   6.475
  126   2HG   LYS  14          HG1       LYS  14 -10.184   7.443   7.499
  127   1HD   LYS  14          HD2       LYS  14  -8.176   7.412   9.285
  128   2HD   LYS  14          HD1       LYS  14  -7.223   7.546   7.807
  129   1HE   LYS  14          HE2       LYS  14  -7.977   9.672   7.358
  130   2HE   LYS  14          HE1       LYS  14  -9.594   9.342   8.013
  131   1HZ   LYS  14          HZ1       LYS  14  -7.105   9.632   9.613
  132   2HZ   LYS  14          HZ2       LYS  14  -8.648   9.290  10.237
  133   3HZ   LYS  14          HZ3       LYS  14  -8.340  10.789   9.499
  134    H    GLY  15           HN       GLY  15  -6.281   5.683   6.745
  135   1HA   GLY  15          HA2       GLY  15  -4.667   6.681   8.505
  136   2HA   GLY  15          HA1       GLY  15  -4.675   5.051   9.180
  137    H    GLU  16           HN       GLU  16  -2.496   4.572   8.760
  138    HA   GLU  16           HA       GLU  16  -1.836   4.114   5.884
  139   1HB   GLU  16          HB2       GLU  16  -0.387   5.786   7.933
  140   2HB   GLU  16          HB1       GLU  16   0.497   5.055   6.592
  141   1HG   GLU  16          HG2       GLU  16  -0.787   6.236   4.968
  142   2HG   GLU  16          HG1       GLU  16  -1.993   6.715   6.163
  143    H    THR  17           HN       THR  17   0.238   2.745   5.753
  144    HA   THR  17           HA       THR  17   0.677   1.025   8.150
  145    HB   THR  17           HB       THR  17   0.111  -0.096   5.397
  146    HG1  THR  17           HG1      THR  17  -1.902   0.313   5.731
  147   1HG2  THR  17          HG21      THR  17  -0.098  -1.296   8.172
  148   2HG2  THR  17          HG22      THR  17   1.272  -1.519   7.084
  149   3HG2  THR  17          HG23      THR  17  -0.317  -2.147   6.643
  150    H    THR  18           HN       THR  18   2.653  -0.319   7.894
  151    HA   THR  18           HA       THR  18   4.495   0.514   5.701
  152    HB   THR  18           HB       THR  18   6.218   0.855   7.598
  153    HG1  THR  18           HG1      THR  18   5.498   0.755   9.560
  154   1HG2  THR  18          HG21      THR  18   5.292   2.716   6.304
  155   2HG2  THR  18          HG22      THR  18   5.425   3.169   8.003
  156   3HG2  THR  18          HG23      THR  18   3.855   2.733   7.327
  157    H    THR  19           HN       THR  19   6.184  -1.017   5.331
  158    HA   THR  19           HA       THR  19   6.408  -3.405   7.051
  159    HB   THR  19           HB       THR  19   4.439  -3.850   5.634
  160    HG1  THR  19           HG1      THR  19   5.129  -5.800   4.971
  161   1HG2  THR  19          HG21      THR  19   6.101  -3.864   3.157
  162   2HG2  THR  19          HG22      THR  19   5.561  -2.298   3.760
  163   3HG2  THR  19          HG23      THR  19   4.378  -3.540   3.353
  164    H    GLU  20           HN       GLU  20   8.183  -4.855   6.220
  165    HA   GLU  20           HA       GLU  20  10.339  -3.225   4.985
  166   1HB   GLU  20          HB2       GLU  20  10.113  -5.753   6.605
  167   2HB   GLU  20          HB1       GLU  20  11.603  -5.407   5.727
  168   1HG   GLU  20          HG2       GLU  20  11.802  -3.245   6.871
  169   2HG   GLU  20          HG1       GLU  20  10.285  -3.539   7.720
  170    H    ALA  21           HN       ALA  21  10.318  -3.332   2.764
  171    HA   ALA  21           HA       ALA  21  10.178  -6.046   1.500
  172   1HB   ALA  21          HB1       ALA  21   8.464  -5.364   0.130
  173   2HB   ALA  21          HB2       ALA  21   9.073  -3.711   0.029
  174   3HB   ALA  21          HB3       ALA  21   8.154  -4.229   1.443
  175    H    VAL  22           HN       VAL  22  11.649  -6.315  -0.214
  176    HA   VAL  22           HA       VAL  22  13.981  -4.725  -0.366
  177    HB   VAL  22           HB       VAL  22  14.380  -6.066  -2.407
  178   1HG1  VAL  22          HG11      VAL  22  12.963  -7.906  -0.519
  179   2HG1  VAL  22          HG12      VAL  22  14.363  -6.995   0.047
  180   3HG1  VAL  22          HG13      VAL  22  14.526  -8.111  -1.309
  181   1HG2  VAL  22          HG21      VAL  22  12.467  -7.745  -2.948
  182   2HG2  VAL  22          HG22      VAL  22  12.339  -6.104  -3.577
  183   3HG2  VAL  22          HG23      VAL  22  11.425  -6.572  -2.146
  184    H    ASP  23           HN       ASP  23  11.004  -4.633  -2.308
  185    HA   ASP  23           HA       ASP  23  11.322  -1.839  -2.982
  186   1HB   ASP  23          HB2       ASP  23  12.907  -3.567  -4.445
  187   2HB   ASP  23          HB1       ASP  23  11.487  -3.402  -5.478
  188    H    ALA  24           HN       ALA  24   9.777  -1.602  -5.201
  189    HA   ALA  24           HA       ALA  24   7.133  -2.047  -4.357
  190   1HB   ALA  24          HB1       ALA  24   6.927  -1.906  -7.074
  191   2HB   ALA  24          HB2       ALA  24   8.568  -1.307  -6.835
  192   3HB   ALA  24          HB3       ALA  24   7.212  -0.506  -6.042
  193    H    ALA  25           HN       ALA  25   9.333  -4.257  -5.932
  194    HA   ALA  25           HA       ALA  25   7.474  -6.063  -7.141
  195   1HB   ALA  25          HB1       ALA  25  10.021  -6.974  -5.836
  196   2HB   ALA  25          HB2       ALA  25  10.108  -5.816  -7.163
  197   3HB   ALA  25          HB3       ALA  25   9.370  -7.398  -7.419
  198    H    THR  26           HN       THR  26   8.495  -5.647  -3.797
  199    HA   THR  26           HA       THR  26   6.877  -8.052  -3.018
  200    HB   THR  26           HB       THR  26   9.045  -6.597  -1.476
  201    HG1  THR  26           HG1      THR  26  10.001  -7.437  -3.272
  202   1HG2  THR  26          HG21      THR  26   7.218  -8.271  -0.475
  203   2HG2  THR  26          HG22      THR  26   8.891  -8.286   0.081
  204   3HG2  THR  26          HG23      THR  26   8.345  -9.472  -1.105
  205    H    ALA  27           HN       ALA  27   7.313  -4.599  -2.575
  206    HA   ALA  27           HA       ALA  27   5.868  -4.168  -0.166
  207   1HB   ALA  27          HB1       ALA  27   7.241  -2.638  -1.842
  208   2HB   ALA  27          HB2       ALA  27   5.989  -1.935  -0.817
  209   3HB   ALA  27          HB3       ALA  27   5.642  -2.308  -2.505
  210    H    GLU  28           HN       GLU  28   4.580  -3.712  -3.488
  211    HA   GLU  28           HA       GLU  28   1.833  -3.500  -2.769
  212   1HB   GLU  28          HB2       GLU  28   3.330  -3.299  -5.034
  213   2HB   GLU  28          HB1       GLU  28   2.535  -4.847  -5.323
  214   1HG   GLU  28          HG2       GLU  28   0.400  -3.473  -4.482
  215   2HG   GLU  28          HG1       GLU  28   1.347  -2.119  -5.100
  216    H    LYS  29           HN       LYS  29   3.708  -6.397  -3.739
  217    HA   LYS  29           HA       LYS  29   1.644  -8.317  -3.751
  218   1HB   LYS  29          HB2       LYS  29   4.529  -8.497  -2.824
  219   2HB   LYS  29          HB1       LYS  29   3.518  -9.893  -3.198
  220   1HG   LYS  29          HG2       LYS  29   3.117  -8.632  -5.474
  221   2HG   LYS  29          HG1       LYS  29   4.616  -7.803  -5.052
  222   1HD   LYS  29          HD2       LYS  29   5.794  -9.927  -4.868
  223   2HD   LYS  29          HD1       LYS  29   4.296 -10.816  -5.145
  224   1HE   LYS  29          HE2       LYS  29   4.148  -9.527  -7.382
  225   2HE   LYS  29          HE1       LYS  29   5.857  -9.129  -7.109
  226   1HZ   LYS  29          HZ1       LYS  29   4.672 -11.856  -7.109
  227   2HZ   LYS  29          HZ2       LYS  29   6.294 -11.495  -6.752
  228   3HZ   LYS  29          HZ3       LYS  29   5.680 -11.209  -8.310
  229    H    VAL  30           HN       VAL  30   3.577  -7.178  -0.969
  230    HA   VAL  30           HA       VAL  30   2.164  -8.874   0.953
  231    HB   VAL  30           HB       VAL  30   4.057  -6.505   1.196
  232   1HG1  VAL  30          HG11      VAL  30   2.910  -8.390   3.264
  233   2HG1  VAL  30          HG12      VAL  30   2.937  -6.625   3.291
  234   3HG1  VAL  30          HG13      VAL  30   4.431  -7.535   3.526
  235   1HG2  VAL  30          HG21      VAL  30   4.980  -8.520   0.076
  236   2HG2  VAL  30          HG22      VAL  30   4.518  -9.492   1.473
  237   3HG2  VAL  30          HG23      VAL  30   5.744  -8.236   1.641
  238    H    PHE  31           HN       PHE  31   2.223  -5.357   0.255
  239    HA   PHE  31           HA       PHE  31   0.233  -4.614   2.164
  240   1HB   PHE  31          HB2       PHE  31   1.461  -3.477  -0.315
  241   2HB   PHE  31          HB1       PHE  31   0.001  -2.703   0.297
  242    HD1  PHE  31           HD1      PHE  31   0.227  -2.901   3.192
  243    HD2  PHE  31           HD2      PHE  31   3.292  -2.150   0.278
  244    HE1  PHE  31           HE1      PHE  31   1.569  -1.720   4.909
  245    HE2  PHE  31           HE2      PHE  31   4.634  -0.972   1.998
  246    HZ   PHE  31           HZ       PHE  31   3.774  -0.757   4.312
  247    H    LYS  32           HN       LYS  32  -0.030  -5.887  -1.125
  248    HA   LYS  32           HA       LYS  32  -2.801  -5.261  -1.555
  249   1HB   LYS  32          HB2       LYS  32  -0.783  -7.207  -2.631
  250   2HB   LYS  32          HB1       LYS  32  -2.477  -7.431  -3.059
  251   1HG   LYS  32          HG2       LYS  32  -2.545  -5.028  -3.794
  252   2HG   LYS  32          HG1       LYS  32  -0.803  -4.950  -3.536
  253   1HD   LYS  32          HD2       LYS  32  -0.898  -5.492  -5.799
  254   2HD   LYS  32          HD1       LYS  32  -0.778  -7.094  -5.068
  255   1HE   LYS  32          HE2       LYS  32  -3.037  -7.584  -5.447
  256   2HE   LYS  32          HE1       LYS  32  -3.493  -5.870  -5.536
  257   1HZ   LYS  32          HZ1       LYS  32  -1.752  -7.293  -7.481
  258   2HZ   LYS  32          HZ2       LYS  32  -2.197  -5.655  -7.558
  259   3HZ   LYS  32          HZ3       LYS  32  -3.371  -6.867  -7.749
  260    H    GLN  33           HN       GLN  33  -1.117  -8.012  -0.068
  261    HA   GLN  33           HA       GLN  33  -3.375  -9.704   0.381
  262   1HB   GLN  33          HB2       GLN  33  -0.880 -10.202   0.568
  263   2HB   GLN  33          HB1       GLN  33  -0.928  -9.395   2.135
  264   1HG   GLN  33          HG2       GLN  33  -1.221 -11.727   2.587
  265   2HG   GLN  33          HG1       GLN  33  -2.818 -10.995   2.755
  266   1HE2  GLN  33          HE21      GLN  33  -4.462 -11.629   1.262
  267   2HE2  GLN  33          HE22      GLN  33  -4.215 -12.794   0.052
  268    H    TYR  34           HN       TYR  34  -2.130  -6.932   2.073
  269    HA   TYR  34           HA       TYR  34  -3.706  -7.239   4.499
  270   1HB   TYR  34          HB2       TYR  34  -1.787  -5.938   4.764
  271   2HB   TYR  34          HB1       TYR  34  -1.936  -5.205   3.173
  272    HD1  TYR  34           HD1      TYR  34  -3.249  -5.175   6.640
  273    HD2  TYR  34           HD2      TYR  34  -3.106  -3.140   2.867
  274    HE1  TYR  34           HE1      TYR  34  -4.291  -3.173   7.682
  275    HE2  TYR  34           HE2      TYR  34  -4.145  -1.138   3.896
  276    HH   TYR  34           HH       TYR  34  -5.812  -0.965   6.295
  277    H    ALA  35           HN       ALA  35  -3.953  -5.021   1.693
  278    HA   ALA  35           HA       ALA  35  -6.513  -3.927   2.375
  279   1HB   ALA  35          HB1       ALA  35  -4.668  -4.057   0.053
  280   2HB   ALA  35          HB2       ALA  35  -5.460  -2.656   0.780
  281   3HB   ALA  35          HB3       ALA  35  -6.351  -3.694  -0.333
  282    H    ASN  36           HN       ASN  36  -5.629  -6.539   0.085
  283    HA   ASN  36           HA       ASN  36  -8.204  -7.218  -0.826
  284   1HB   ASN  36          HB2       ASN  36  -5.823  -8.016  -1.491
  285   2HB   ASN  36          HB1       ASN  36  -6.048  -9.244  -0.244
  286   1HD2  ASN  36          HD21      ASN  36  -7.952 -10.730  -0.521
  287   2HD2  ASN  36          HD22      ASN  36  -8.559 -11.020  -2.079
  288    H    ASP  37           HN       ASP  37  -6.615  -7.983   2.213
  289    HA   ASP  37           HA       ASP  37  -8.550 -10.033   3.018
  290   1HB   ASP  37          HB2       ASP  37  -6.163  -8.613   4.134
  291   2HB   ASP  37          HB1       ASP  37  -7.250  -9.411   5.272
  292    H    ASN  38           HN       ASN  38  -7.979  -6.588   3.701
  293    HA   ASN  38           HA       ASN  38 -10.173  -6.404   5.637
  294   1HB   ASN  38          HB2       ASN  38  -8.082  -4.684   4.408
  295   2HB   ASN  38          HB1       ASN  38  -9.531  -3.851   4.972
  296   1HD2  ASN  38          HD21      ASN  38  -7.465  -6.553   6.210
  297   2HD2  ASN  38          HD22      ASN  38  -7.370  -5.944   7.791
  298    H    GLY  39           HN       GLY  39  -9.666  -5.681   2.206
  299   1HA   GLY  39          HA2       GLY  39 -11.634  -5.894   0.704
  300   2HA   GLY  39          HA1       GLY  39 -12.597  -5.134   1.971
  301    H    ILE  40           HN       ILE  40  -9.431  -4.260   0.540
  302    HA   ILE  40           HA       ILE  40 -10.572  -1.541  -0.011
  303    HB   ILE  40           HB       ILE  40  -7.755  -2.467   0.645
  304   1HG1  ILE  40          HG12      ILE  40  -9.722  -0.762   2.206
  305   2HG1  ILE  40          HG11      ILE  40  -9.393  -2.463   2.530
  306   1HG2  ILE  40          HG21      ILE  40  -8.883   0.182  -0.227
  307   2HG2  ILE  40          HG22      ILE  40  -7.362  -0.582  -0.700
  308   3HG2  ILE  40          HG23      ILE  40  -7.526   0.151   0.898
  309   1HD1  ILE  40          HD11      ILE  40  -6.937  -0.880   2.375
  310   2HD1  ILE  40          HD12      ILE  40  -7.487  -1.976   3.642
  311   3HD1  ILE  40          HD13      ILE  40  -8.032  -0.299   3.630
  312    H    ASP  41           HN       ASP  41 -11.252  -2.863  -2.084
  313    HA   ASP  41           HA       ASP  41  -9.046  -3.198  -4.041
  314   1HB   ASP  41          HB2       ASP  41 -10.895  -4.087  -5.450
  315   2HB   ASP  41          HB1       ASP  41 -10.863  -4.866  -3.869
  316    H    GLY  42           HN       GLY  42  -9.132  -0.593  -3.275
  317   1HA   GLY  42          HA2       GLY  42 -10.927   1.004  -4.926
  318   2HA   GLY  42          HA1       GLY  42  -9.621   1.609  -3.907
  319    H    GLU  43           HN       GLU  43  -8.556   2.895  -5.329
  320    HA   GLU  43           HA       GLU  43  -7.548   1.660  -7.823
  321   1HB   GLU  43          HB2       GLU  43  -7.472   3.975  -8.696
  322   2HB   GLU  43          HB1       GLU  43  -9.092   3.564  -8.140
  323   1HG   GLU  43          HG2       GLU  43  -7.829   4.605  -5.864
  324   2HG   GLU  43          HG1       GLU  43  -7.274   5.637  -7.178
  325    H    TRP  44           HN       TRP  44  -5.509   0.962  -7.373
  326    HA   TRP  44           HA       TRP  44  -3.867   2.183  -5.352
  327   1HB   TRP  44          HB2       TRP  44  -3.527   0.006  -7.396
  328   2HB   TRP  44          HB1       TRP  44  -2.205   0.490  -6.327
  329    HD1  TRP  44           HD1      TRP  44  -5.881  -0.661  -6.099
  330    HE1  TRP  44           HE1      TRP  44  -6.195  -1.904  -3.861
  331    HE3  TRP  44           HE3      TRP  44  -1.233  -0.035  -4.083
  332    HZ2  TRP  44           HZ2      TRP  44  -4.678  -2.533  -1.530
  333    HZ3  TRP  44           HZ3      TRP  44  -0.695  -0.967  -1.850
  334    HH2  TRP  44           HH2      TRP  44  -2.410  -2.224  -0.576
  335    H    THR  45           HN       THR  45  -2.115   3.457  -5.555
  336    HA   THR  45           HA       THR  45  -1.065   4.213  -8.220
  337    HB   THR  45           HB       THR  45  -1.254   6.667  -7.239
  338    HG1  THR  45           HG1      THR  45  -2.877   6.936  -5.829
  339   1HG2  THR  45          HG21      THR  45  -2.985   7.003  -8.719
  340   2HG2  THR  45          HG22      THR  45  -3.890   5.603  -8.143
  341   3HG2  THR  45          HG23      THR  45  -2.508   5.379  -9.215
  342    H    TYR  46           HN       TYR  46   1.131   4.430  -8.043
  343    HA   TYR  46           HA       TYR  46   2.311   4.243  -5.317
  344   1HB   TYR  46          HB2       TYR  46   2.895   2.516  -6.896
  345   2HB   TYR  46          HB1       TYR  46   3.240   3.694  -8.156
  346    HD1  TYR  46           HD1      TYR  46   5.407   4.570  -8.429
  347    HD2  TYR  46           HD2      TYR  46   4.400   2.504  -4.800
  348    HE1  TYR  46           HE1      TYR  46   7.790   4.593  -7.753
  349    HE2  TYR  46           HE2      TYR  46   6.777   2.529  -4.124
  350    HH   TYR  46           HH       TYR  46   9.289   3.313  -6.292
  351    H    ASP  47           HN       ASP  47   3.448   5.944  -4.466
  352    HA   ASP  47           HA       ASP  47   3.844   8.381  -6.142
  353   1HB   ASP  47          HB2       ASP  47   3.638   7.745  -3.199
  354   2HB   ASP  47          HB1       ASP  47   4.284   9.295  -3.738
  355    H    ASP  48           HN       ASP  48   5.883   8.818  -6.857
  356    HA   ASP  48           HA       ASP  48   8.171   7.210  -5.971
  357   1HB   ASP  48          HB2       ASP  48   7.590   8.014  -8.327
  358   2HB   ASP  48          HB1       ASP  48   8.117   9.616  -7.808
  359    H    ALA  49           HN       ALA  49   6.809  10.301  -5.128
  360    HA   ALA  49           HA       ALA  49   9.068  11.786  -4.345
  361   1HB   ALA  49          HB1       ALA  49   7.478  13.170  -3.416
  362   2HB   ALA  49          HB2       ALA  49   6.632  11.836  -2.633
  363   3HB   ALA  49          HB3       ALA  49   6.398  12.140  -4.355
  364    H    THR  50           HN       THR  50   7.178   9.410  -2.454
  365    HA   THR  50           HA       THR  50   9.548   8.981  -0.700
  366    HB   THR  50           HB       THR  50   8.099   9.316   1.292
  367    HG1  THR  50           HG1      THR  50   6.031   9.606   1.058
  368   1HG2  THR  50          HG21      THR  50   8.040  11.713   1.204
  369   2HG2  THR  50          HG22      THR  50   7.910  11.705  -0.555
  370   3HG2  THR  50          HG23      THR  50   9.413  11.206   0.221
  371    H    LYS  51           HN       LYS  51   7.822   7.431  -2.749
  372    HA   LYS  51           HA       LYS  51   6.943   5.249  -2.983
  373   1HB   LYS  51          HB2       LYS  51   9.123   5.285  -1.030
  374   2HB   LYS  51          HB1       LYS  51   8.026   3.931  -0.764
  375   1HG   LYS  51          HG2       LYS  51   9.461   3.001  -2.331
  376   2HG   LYS  51          HG1       LYS  51   8.219   3.674  -3.389
  377   1HD   LYS  51          HD2       LYS  51  10.415   4.323  -4.238
  378   2HD   LYS  51          HD1       LYS  51   9.598   5.753  -3.607
  379   1HE   LYS  51          HE2       LYS  51  10.950   5.816  -1.666
  380   2HE   LYS  51          HE1       LYS  51  11.468   4.130  -1.870
  381   1HZ   LYS  51          HZ1       LYS  51  12.531   4.763  -3.960
  382   2HZ   LYS  51          HZ2       LYS  51  13.185   5.633  -2.655
  383   3HZ   LYS  51          HZ3       LYS  51  12.085   6.380  -3.713
  384    H    THR  52           HN       THR  52   4.714   5.618  -2.546
  385    HA   THR  52           HA       THR  52   3.790   4.596   0.078
  386    HB   THR  52           HB       THR  52   3.054   7.317  -1.050
  387    HG1  THR  52           HG1      THR  52   4.731   7.924   0.022
  388   1HG2  THR  52          HG21      THR  52   2.391   6.579   1.738
  389   2HG2  THR  52          HG22      THR  52   1.470   5.731   0.496
  390   3HG2  THR  52          HG23      THR  52   1.449   7.493   0.561
  391    H    PHE  53           HN       PHE  53   2.654   2.879  -0.888
  392    HA   PHE  53           HA       PHE  53   1.134   3.002  -3.316
  393   1HB   PHE  53          HB2       PHE  53   0.992   1.289  -0.816
  394   2HB   PHE  53          HB1       PHE  53   0.021   0.960  -2.252
  395    HD1  PHE  53           HD1      PHE  53   1.109   0.387  -4.397
  396    HD2  PHE  53           HD2      PHE  53   3.349   0.859  -0.773
  397    HE1  PHE  53           HE1      PHE  53   3.040  -0.768  -5.446
  398    HE2  PHE  53           HE2      PHE  53   5.284  -0.296  -1.811
  399    HZ   PHE  53           HZ       PHE  53   5.129  -1.109  -4.152
  400    H    THR  54           HN       THR  54  -0.749   4.131  -3.675
  401    HA   THR  54           HA       THR  54  -2.375   4.887  -1.260
  402    HB   THR  54           HB       THR  54  -2.010   6.285  -3.922
  403    HG1  THR  54           HG1      THR  54  -0.496   7.421  -2.947
  404   1HG2  THR  54          HG21      THR  54  -3.485   7.877  -3.223
  405   2HG2  THR  54          HG22      THR  54  -2.993   7.732  -1.536
  406   3HG2  THR  54          HG23      THR  54  -4.120   6.567  -2.229
  407    H    VAL  55           HN       VAL  55  -4.108   3.426  -1.236
  408    HA   VAL  55           HA       VAL  55  -5.594   3.004  -3.760
  409    HB   VAL  55           HB       VAL  55  -4.775   0.984  -2.504
  410   1HG1  VAL  55          HG11      VAL  55  -6.839   1.720  -0.445
  411   2HG1  VAL  55          HG12      VAL  55  -5.122   2.069  -0.227
  412   3HG1  VAL  55          HG13      VAL  55  -5.669   0.395  -0.380
  413   1HG2  VAL  55          HG21      VAL  55  -6.861   1.022  -3.944
  414   2HG2  VAL  55          HG22      VAL  55  -7.782   1.179  -2.448
  415   3HG2  VAL  55          HG23      VAL  55  -6.799  -0.257  -2.731
  416    H    THR  56           HN       THR  56  -8.051   2.913  -3.404
  417    HA   THR  56           HA       THR  56  -9.110   4.488  -1.154
  418    HB   THR  56           HB       THR  56  -9.113   5.437  -4.034
  419    HG1  THR  56           HG1      THR  56  -7.943   6.600  -1.734
  420   1HG2  THR  56          HG21      THR  56 -10.022   7.559  -2.740
  421   2HG2  THR  56          HG22      THR  56 -10.548   6.353  -1.566
  422   3HG2  THR  56          HG23      THR  56 -11.127   6.275  -3.230
  423    H    GLU  57           HN       GLU  57 -10.764   3.041  -0.690
  424    HA   GLU  57           HA       GLU  57 -12.263   1.694  -2.844
  425   1HB   GLU  57          HB2       GLU  57 -11.478   1.044  -0.312
  426   2HB   GLU  57          HB1       GLU  57 -13.141   1.552  -0.014
  427   1HG   GLU  57          HG2       GLU  57 -13.563   0.033  -2.190
  428   2HG   GLU  57          HG1       GLU  57 -12.120  -0.773  -1.573