*HEADER    TOXIN                                   19-APR-18   6D5Z              
*TITLE     CIS FORM OF HEMOLYSIN II C-TERMINAL DOMAIN                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMOLYSIN II;                                              
*COMPND   3 CHAIN: D;                                                            
*COMPND   4 FRAGMENT: RESIDUES 319-412;                                          
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS;                                
*SOURCE   3 ORGANISM_TAXID: 226900;                                              
*SOURCE   4 STRAIN: ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 /   
*SOURCE   5 NRRL B-3711;                                                         
*SOURCE   6 ATCC: 14579;                                                         
*SOURCE   7 GENE: BC_3523;                                                       
*SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
*SOURCE   9 EXPRESSION_SYSTEM_TAXID: 866768;                                     
*SOURCE  10 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3)PLYSS AG;                    
*SOURCE  11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  12 EXPRESSION_SYSTEM_PLASMID: PET28B                                    
*KEYWDS    PORE-FORMING TOXIN, PROLINE ISOMERIZATION, CONFORMATIONAL             
*KEYWDS   2 HETEROGENEITY, TOXIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    25                                                                    
*AUTHOR    A.R.KAPLAN,A.T.ALEXANDRESCU,R.OLSON                                   
*REVDAT   1   24-APR-19 6D5Z    0                                                
# Restraints file 1: cis_dangle_aria.tbl

 ASSIGN  (resid 2    and name C   ) (resid 3    and name N   )
         (resid 3    and name CA  ) (resid 3    and name C   )  1.00 -65.97 34.03 2

 ASSIGN  (resid 3    and name N   ) (resid 3    and name CA  )
         (resid 3    and name C   ) (resid 4    and name N   )  1.00 -24.26 45.74 2

 ASSIGN  (resid 3    and name C   ) (resid 4    and name N   )
         (resid 4    and name CA  ) (resid 4    and name C   )  1.00 -75.36 34.64 2

 ASSIGN  (resid 4    and name N   ) (resid 4    and name CA  )
         (resid 4    and name C   ) (resid 5    and name N   )  1.00 -14.74 35.26 2

 ASSIGN  (resid 5    and name C   ) (resid 6    and name N   )
         (resid 6    and name CA  ) (resid 6    and name C   )  1.00 -74.64 35.36 2

 ASSIGN  (resid 6    and name N   ) (resid 6    and name CA  )
         (resid 6    and name C   ) (resid 7    and name N   )  1.00 -23.37 46.63 2

 ASSIGN  (resid 6    and name C   ) (resid 7    and name N   )
         (resid 7    and name CA  ) (resid 7    and name C   )  1.00 -64.38 25.62 2

 ASSIGN  (resid 7    and name N   ) (resid 7    and name CA  )
         (resid 7    and name C   ) (resid 8    and name N   )  1.00 -35.83 34.17 2

 ASSIGN  (resid 7    and name C   ) (resid 8    and name N   )
         (resid 8    and name CA  ) (resid 8    and name C   )  1.00 -75.14 24.86 2

 ASSIGN  (resid 8    and name N   ) (resid 8    and name CA  )
         (resid 8    and name C   ) (resid 9    and name N   )  1.00 -24.77 25.23 2

 ASSIGN  (resid 8    and name C   ) (resid 9    and name N   )
         (resid 9    and name CA  ) (resid 9    and name C   )  1.00 -70.63 25.37 2

 ASSIGN  (resid 9    and name N   ) (resid 9    and name CA  )
         (resid 9    and name C   ) (resid 10   and name N   )  1.00 -31.43 43.57 2

 ASSIGN  (resid 9    and name C   ) (resid 10   and name N   )
         (resid 10   and name CA  ) (resid 10   and name C   )  1.00 -67.62 37.38 2

 ASSIGN  (resid 10   and name N   ) (resid 10   and name CA  )
         (resid 10   and name C   ) (resid 11   and name N   )  1.00 -35.29 39.71 2

 ASSIGN  (resid 10   and name C   ) (resid 11   and name N   )
         (resid 11   and name CA  ) (resid 11   and name C   )  1.00 -64.62 35.38 2

 ASSIGN  (resid 11   and name N   ) (resid 11   and name CA  )
         (resid 11   and name C   ) (resid 12   and name N   )  1.00 -38.30 35.70 2

 ASSIGN  (resid 11   and name C   ) (resid 12   and name N   )
         (resid 12   and name CA  ) (resid 12   and name C   )  1.00 -57.82 32.18 2

 ASSIGN  (resid 12   and name N   ) (resid 12   and name CA  )
         (resid 12   and name C   ) (resid 13   and name N   )  1.00 -42.65 27.35 2

 ASSIGN  (resid 12   and name C   ) (resid 13   and name N   )
         (resid 13   and name CA  ) (resid 13   and name C   )  1.00 -64.97 25.03 2

 ASSIGN  (resid 13   and name N   ) (resid 13   and name CA  )
         (resid 13   and name C   ) (resid 14   and name N   )  1.00 -45.53 35.47 2

 ASSIGN  (resid 13   and name C   ) (resid 14   and name N   )
         (resid 14   and name CA  ) (resid 14   and name C   )  1.00 -64.54 30.46 2

 ASSIGN  (resid 14   and name N   ) (resid 14   and name CA  )
         (resid 14   and name C   ) (resid 15   and name N   )  1.00 -39.99 30.01 2

 ASSIGN  (resid 14   and name C   ) (resid 15   and name N   )
         (resid 15   and name CA  ) (resid 15   and name C   )  1.00 -64.91 25.09 2

 ASSIGN  (resid 15   and name N   ) (resid 15   and name CA  )
         (resid 15   and name C   ) (resid 16   and name N   )  1.00 -43.38 26.62 2

 ASSIGN  (resid 15   and name C   ) (resid 16   and name N   )
         (resid 16   and name CA  ) (resid 16   and name C   )  1.00 -64.77 25.23 2

 ASSIGN  (resid 16   and name N   ) (resid 16   and name CA  )
         (resid 16   and name C   ) (resid 17   and name N   )  1.00 -42.10 17.90 2

 ASSIGN  (resid 16   and name C   ) (resid 17   and name N   )
         (resid 17   and name CA  ) (resid 17   and name C   )  1.00 -59.44 30.56 2

 ASSIGN  (resid 17   and name N   ) (resid 17   and name CA  )
         (resid 17   and name C   ) (resid 18   and name N   )  1.00 -44.21 25.79 2

 ASSIGN  (resid 17   and name C   ) (resid 18   and name N   )
         (resid 18   and name CA  ) (resid 18   and name C   )  1.00 -64.10 25.90 2

 ASSIGN  (resid 18   and name N   ) (resid 18   and name CA  )
         (resid 18   and name C   ) (resid 19   and name N   )  1.00 -43.28 26.72 2

 ASSIGN  (resid 18   and name C   ) (resid 19   and name N   )
         (resid 19   and name CA  ) (resid 19   and name C   )  1.00 -63.57 26.43 2

 ASSIGN  (resid 19   and name N   ) (resid 19   and name CA  )
         (resid 19   and name C   ) (resid 20   and name N   )  1.00 -38.41 31.59 2

 ASSIGN  (resid 19   and name C   ) (resid 20   and name N   )
         (resid 20   and name CA  ) (resid 20   and name C   )  1.00 -88.48 31.52 2

 ASSIGN  (resid 20   and name N   ) (resid 20   and name CA  )
         (resid 20   and name C   ) (resid 21   and name N   )  1.00  -4.37 35.63 2

 ASSIGN  (resid 21   and name C   ) (resid 22   and name N   )
         (resid 22   and name CA  ) (resid 22   and name C   )  1.00 -75.24 44.76 2

 ASSIGN  (resid 22   and name N   ) (resid 22   and name CA  )
         (resid 22   and name C   ) (resid 23   and name N   )  1.00 -15.37 24.63 2

 ASSIGN  (resid 23   and name C   ) (resid 24   and name N   )
         (resid 24   and name CA  ) (resid 24   and name C   )  1.00 -70.42 29.58 2
!!
! ASSIGN  (resid 24   and name N   ) (resid 24   and name CA  )
!         (resid 24   and name C   ) (resid 25   and name N   )  1.00 146.01 40.01 2

 ASSIGN  (resid 25   and name C   ) (resid 26   and name N   )
         (resid 26   and name CA  ) (resid 26   and name C   )  1.00 -116.54 30.46 2
 ASSIGN  (resid 26   and name N   ) (resid 26   and name CA  )
         (resid 26   and name C   ) (resid 27   and name N   )  1.00 132.19 27.19 2
!10,
 ASSIGN  (resid 26   and name C   ) (resid 27   and name N   )
         (resid 27   and name CA  ) (resid 27   and name C   )  1.00 -117.73 25.27 2
 ASSIGN  (resid 27   and name N   ) (resid 27   and name CA  )
         (resid 27   and name C   ) (resid 28   and name N   )  1.00 128.63 28.63 2

 ASSIGN  (resid 27   and name C   ) (resid 28   and name N   )
         (resid 28   and name CA  ) (resid 28   and name C   )  1.00 -118.04 21.96 2
 ASSIGN  (resid 28   and name N   ) (resid 28   and name CA  )
         (resid 28   and name C   ) (resid 29   and name N   )  1.00 131.49 21.49 2

 ASSIGN  (resid 28   and name C   ) (resid 29   and name N   )
         (resid 29   and name CA  ) (resid 29   and name C   )  1.00 -113.41 26.59 2

 ASSIGN  (resid 29   and name N   ) (resid 29   and name CA  )
         (resid 29   and name C   ) (resid 30   and name N   )  1.00 133.97 23.97 2

 ASSIGN  (resid 29   and name C   ) (resid 30   and name N   )
         (resid 30   and name CA  ) (resid 30   and name C   )  1.00 -133.32 26.68 2

 ASSIGN  (resid 30   and name N   ) (resid 30   and name CA  )
         (resid 30   and name C   ) (resid 31   and name N   )  1.00 153.86 33.86 2

 ASSIGN  (resid 30   and name C   ) (resid 31   and name N   )
         (resid 31   and name CA  ) (resid 31   and name C   )  1.00 -116.63 33.37 2

 ASSIGN  (resid 31   and name N   ) (resid 31   and name CA  )
         (resid 31   and name C   ) (resid 32   and name N   )  1.00 132.98 32.98 2

 ASSIGN  (resid 31   and name C   ) (resid 32   and name N   )
         (resid 32   and name CA  ) (resid 32   and name C   )  1.00 -121.59 28.41 2

 ASSIGN  (resid 32   and name N   ) (resid 32   and name CA  )
         (resid 32   and name C   ) (resid 33   and name N   )  1.00 123.75 33.75 2

 ASSIGN  (resid 32   and name C   ) (resid 33   and name N   )
         (resid 33   and name CA  ) (resid 33   and name C   )  1.00  65.46 25.46 2

 ASSIGN  (resid 33   and name N   ) (resid 33   and name CA  )
         (resid 33   and name C   ) (resid 34   and name N   )  1.00 -124.37 25.63 2

 ASSIGN  (resid 33   and name C   ) (resid 34   and name N   )
         (resid 34   and name CA  ) (resid 34   and name C   )  1.00 -95.02 24.98 2

 ASSIGN  (resid 34   and name N   ) (resid 34   and name CA  )
         (resid 34   and name C   ) (resid 35   and name N   )  1.00   4.94 25.94 2 !!

 ASSIGN  (resid 34   and name C   ) (resid 35   and name N   )
         (resid 35   and name CA  ) (resid 35   and name C   )  1.00 -115.10 25.90 2 !!

 ASSIGN  (resid 35   and name N   ) (resid 35   and name CA  )
         (resid 35   and name C   ) (resid 36   and name N   )  1.00 135.39 25.39 2 !!

 ASSIGN  (resid 35   and name C   ) (resid 36   and name N   )
         (resid 36   and name CA  ) (resid 36   and name C   )  1.00 -106.01 25.99 2 !!

 ASSIGN  (resid 36   and name N   ) (resid 36   and name CA  )
         (resid 36   and name C   ) (resid 37   and name N   )  1.00 123.18 23.18 2

 ASSIGN  (resid 36   and name C   ) (resid 37   and name N   )
         (resid 37   and name CA  ) (resid 37   and name C   )  1.00 -120.26 29.74 2

 ASSIGN  (resid 37   and name N   ) (resid 37   and name CA  )
         (resid 37   and name C   ) (resid 38   and name N   )  1.00 138.62 38.62 2

 ASSIGN  (resid 37   and name C   ) (resid 38   and name N   )
         (resid 38   and name CA  ) (resid 38   and name C   )  1.00 -125.45 34.55 2

 ASSIGN  (resid 38   and name N   ) (resid 38   and name CA  )
         (resid 38   and name C   ) (resid 39   and name N   )  1.00 144.38 34.38 2

 ASSIGN  (resid 38   and name C   ) (resid 39   and name N   )
         (resid 39   and name CA  ) (resid 39   and name C   )  1.00 -123.42 26.58 2

 ASSIGN  (resid 39   and name N   ) (resid 39   and name CA  )
         (resid 39   and name C   ) (resid 40   and name N   )  1.00 125.24 25.24 2

 ASSIGN  (resid 39   and name C   ) (resid 40   and name N   )
         (resid 40   and name CA  ) (resid 40   and name C   )  1.00 -134.93 25.07 2

 ASSIGN  (resid 40   and name N   ) (resid 40   and name CA  )
         (resid 40   and name C   ) (resid 41   and name N   )  1.00 154.46 24.46 2

 ASSIGN  (resid 40   and name C   ) (resid 41   and name N   )
         (resid 41   and name CA  ) (resid 41   and name C   )  1.00 -123.40 26.60 2
! ASSIGN  (resid 41   and name N   ) (resid 41   and name CA  )
!         (resid 41   and name C   ) (resid 42   and name N   )  1.00 127.06 47.06 2

 ASSIGN  (resid 41   and name C   ) (resid 42   and name N   )
         (resid 42   and name CA  ) (resid 42   and name C   )  1.00  55.00 25.00 2
 ASSIGN  (resid 42   and name N   ) (resid 42   and name CA  )
         (resid 42   and name C   ) (resid 43   and name N   )  1.00  44.02 60.02 2
!
 ASSIGN  (resid 42   and name C   ) (resid 43   and name N   )
         (resid 43   and name CA  ) (resid 43   and name C   )  1.00  64.98 24.98 2
!
 ASSIGN  (resid 43   and name N   ) (resid 43   and name CA  )
         (resid 43   and name C   ) (resid 44   and name N   )  1.00  25.00 35.00 2
!
 ASSIGN  (resid 43   and name C   ) (resid 44   and name N   )
         (resid 44   and name CA  ) (resid 44   and name C   )  1.00  86.58 36.58 2
!
 ASSIGN  (resid 44   and name N   ) (resid 44   and name CA  )
         (resid 44   and name C   ) (resid 45   and name N   )  1.00  -2.99 37.01 2

 ASSIGN  (resid 44   and name C   ) (resid 45   and name N   )
         (resid 45   and name CA  ) (resid 45   and name C   )  1.00 -74.64 55.36 2

 ASSIGN  (resid 45   and name N   ) (resid 45   and name CA  )
         (resid 45   and name C   ) (resid 46   and name N   )  1.00 145.00 35.00 2

 ASSIGN  (resid 45   and name C   ) (resid 46   and name N   )
         (resid 46   and name CA  ) (resid 46   and name C   )  1.00 -71.19 38.81 2
!
 ASSIGN  (resid 46   and name N   ) (resid 46   and name CA  )
         (resid 46   and name C   ) (resid 47   and name N   )  1.00 152.88 52.88 2

 ASSIGN  (resid 46   and name C   ) (resid 47   and name N   )
         (resid 47   and name CA  ) (resid 47   and name C   )  1.00 -84.39 35.61 2

 ASSIGN  (resid 47   and name N   ) (resid 47   and name CA  )
         (resid 47   and name C   ) (resid 48   and name N   )  1.00 -15.20 40.80 2

 ASSIGN  (resid 48   and name C   ) (resid 49   and name N   )
         (resid 49   and name CA  ) (resid 49   and name C   )  1.00 -114.23 65.77 2
!
 ASSIGN  (resid 49   and name N   ) (resid 49   and name CA  )
         (resid 49   and name C   ) (resid 50   and name N   )  1.00 144.42 65.42 2

 ASSIGN  (resid 49   and name C   ) (resid 50   and name N   )
         (resid 50   and name CA  ) (resid 50   and name C   )  1.00 -121.59 58.41 2

 ASSIGN  (resid 50   and name N   ) (resid 50   and name CA  )
         (resid 50   and name C   ) (resid 51   and name N   )  1.00 145.39 55.39 2

 ASSIGN  (resid 50   and name C   ) (resid 51   and name N   )
         (resid 51   and name CA  ) (resid 51   and name C   )  1.00 -104.00 56.00 2

 ASSIGN  (resid 51   and name N   ) (resid 51   and name CA  )
         (resid 51   and name C   ) (resid 52   and name N   )  1.00 130.51 40.51 2

 ASSIGN  (resid 51   and name C   ) (resid 52   and name N   )
         (resid 52   and name CA  ) (resid 52   and name C   )  1.00 -125.63 34.37 2

 ASSIGN  (resid 52   and name N   ) (resid 52   and name CA  )
         (resid 52   and name C   ) (resid 53   and name N   )  1.00 134.51 34.51 2

 ASSIGN  (resid 52   and name C   ) (resid 53   and name N   )
         (resid 53   and name CA  ) (resid 53   and name C   )  1.00 -114.80 45.20 2

 ASSIGN  (resid 53   and name N   ) (resid 53   and name CA  )
         (resid 53   and name C   ) (resid 54   and name N   )  1.00 127.14 27.14 2

 ASSIGN  (resid 53   and name C   ) (resid 54   and name N   )
         (resid 54   and name CA  ) (resid 54   and name C   )  1.00 -131.51 38.49 2

 ASSIGN  (resid 54   and name N   ) (resid 54   and name CA  )
         (resid 54   and name C   ) (resid 55   and name N   )  1.00 149.83 49.83 2

 ASSIGN  (resid 54   and name C   ) (resid 55   and name N   )
         (resid 55   and name CA  ) (resid 55   and name C   )  1.00 -137.27 42.73 2

 ASSIGN  (resid 55   and name N   ) (resid 55   and name CA  )
         (resid 55   and name C   ) (resid 56   and name N   )  1.00 146.41 36.41 2

 ASSIGN  (resid 55   and name C   ) (resid 56   and name N   )
         (resid 56   and name CA  ) (resid 56   and name C   )  1.00 -106.83 43.17 2

 ASSIGN  (resid 56   and name N   ) (resid 56   and name CA  )
         (resid 56   and name C   ) (resid 57   and name N   )  1.00 125.63 30.63 2

 ASSIGN  (resid 56   and name C   ) (resid 57   and name N   )
         (resid 57   and name CA  ) (resid 57   and name C   )  1.00 -115.57 34.43 2

 ASSIGN  (resid 57   and name N   ) (resid 57   and name CA  )
         (resid 57   and name C   ) (resid 58   and name N   )  1.00 135.00 35.00 2

 ASSIGN  (resid 57   and name C   ) (resid 58   and name N   )
         (resid 58   and name CA  ) (resid 58   and name C   )  1.00 -116.00 34.00 2

 ASSIGN  (resid 58   and name N   ) (resid 58   and name CA  )
         (resid 58   and name C   ) (resid 59   and name N   )  1.00 124.91 24.91 2

 ASSIGN  (resid 58   and name C   ) (resid 59   and name N   )
         (resid 59   and name CA  ) (resid 59   and name C   )  1.00  55.00 15.00 2

 ASSIGN  (resid 59   and name N   ) (resid 59   and name CA  )
         (resid 59   and name C   ) (resid 60   and name N   )  1.00  44.34 24.34 2

 ASSIGN  (resid 59   and name C   ) (resid 60   and name N   )
         (resid 60   and name CA  ) (resid 60   and name C   )  1.00  74.87 24.87 2

 ASSIGN  (resid 60   and name N   ) (resid 60   and name CA  )
         (resid 60   and name C   ) (resid 61   and name N   )  1.00   8.95 38.95 2

 ASSIGN  (resid 60   and name C   ) (resid 61   and name N   )
         (resid 61   and name CA  ) (resid 61   and name C   )  1.00 -125.79 34.21 2

 ASSIGN  (resid 61   and name N   ) (resid 61   and name CA  )
         (resid 61   and name C   ) (resid 62   and name N   )  1.00 139.19 39.19 2

 ASSIGN  (resid 61   and name C   ) (resid 62   and name N   )
         (resid 62   and name CA  ) (resid 62   and name C   )  1.00 -79.54 30.46 2

 ASSIGN  (resid 62   and name N   ) (resid 62   and name CA  )
         (resid 62   and name C   ) (resid 63   and name N   )  1.00 122.02 22.02 2

 ASSIGN  (resid 62   and name C   ) (resid 63   and name N   )
         (resid 63   and name CA  ) (resid 63   and name C   )  1.00 -96.33 23.67 2

 ASSIGN  (resid 63   and name N   ) (resid 63   and name CA  )
         (resid 63   and name C   ) (resid 64   and name N   )  1.00 -36.26 33.74 2

 ASSIGN  (resid 63   and name C   ) (resid 64   and name N   )
         (resid 64   and name CA  ) (resid 64   and name C   )  1.00 -143.12 36.88 2

 ASSIGN  (resid 64   and name N   ) (resid 64   and name CA  )
         (resid 64   and name C   ) (resid 65   and name N   )  1.00 146.51 26.51 2

 ASSIGN  (resid 64   and name C   ) (resid 65   and name N   )
         (resid 65   and name CA  ) (resid 65   and name C   )  1.00 -118.19 31.81 2

 ASSIGN  (resid 65   and name N   ) (resid 65   and name CA  )
         (resid 65   and name C   ) (resid 66   and name N   )  1.00 127.14 27.14 2

 ASSIGN  (resid 65   and name C   ) (resid 66   and name N   )
         (resid 66   and name CA  ) (resid 66   and name C   )  1.00 -134.91 35.09 2

 ASSIGN  (resid 66   and name N   ) (resid 66   and name CA  )
         (resid 66   and name C   ) (resid 67   and name N   )  1.00 155.44 35.44 2

 ASSIGN  (resid 66   and name C   ) (resid 67   and name N   )
         (resid 67   and name CA  ) (resid 67   and name C   )  1.00 -77.09 52.91 2

 ASSIGN  (resid 67   and name N   ) (resid 67   and name CA  )
         (resid 67   and name C   ) (resid 68   and name N   )  1.00 138.95 58.95 2

 ASSIGN  (resid 67   and name C   ) (resid 68   and name N   )
         (resid 68   and name CA  ) (resid 68   and name C   )  1.00 -55.07 24.93 2

 ASSIGN  (resid 68   and name N   ) (resid 68   and name CA  )
         (resid 68   and name C   ) (resid 69   and name N   )  1.00 -34.87 25.13 2

 ASSIGN  (resid 68   and name C   ) (resid 69   and name N   )
         (resid 69   and name CA  ) (resid 69   and name C   )  1.00 -73.27 46.73 2

 ASSIGN  (resid 69   and name N   ) (resid 69   and name CA  )
         (resid 69   and name C   ) (resid 70   and name N   )  1.00 -13.08 46.92 2

 ASSIGN  (resid 69   and name C   ) (resid 70   and name N   )
         (resid 70   and name CA  ) (resid 70   and name C   )  1.00 -64.96 25.04 2
!!
! ASSIGN  (resid 70   and name N   ) (resid 70   and name CA  )
!         (resid 70   and name C   ) (resid 71   and name N   )  1.00 -37.20 62.80 2
!!
 ASSIGN  (resid 70   and name C   ) (resid 71   and name N   )
         (resid 71   and name CA  ) (resid 71   and name C   )  1.00 -61.98 58.02 2
!!
! ASSIGN  (resid 71   and name N   ) (resid 71   and name CA  )
!         (resid 71   and name C   ) (resid 72   and name N   )  1.00 -42.92 57.08 2
!!
 ASSIGN  (resid 71   and name C   ) (resid 72   and name N   )
         (resid 72   and name CA  ) (resid 72   and name C   )  1.00 -64.35 55.65 2

 ASSIGN  (resid 72   and name N   ) (resid 72   and name CA  )
         (resid 72   and name C   ) (resid 73   and name N   )  1.00 -41.11 28.89 2

 ASSIGN  (resid 72   and name C   ) (resid 73   and name N   )
         (resid 73   and name CA  ) (resid 73   and name C   )  1.00 -58.46 31.54 2

 ASSIGN  (resid 73   and name N   ) (resid 73   and name CA  )
         (resid 73   and name C   ) (resid 74   and name N   )  1.00 -44.45 25.55 2

 ASSIGN  (resid 73   and name C   ) (resid 74   and name N   )
         (resid 74   and name CA  ) (resid 74   and name C   )  1.00 -64.90 25.10 2

 ASSIGN  (resid 74   and name N   ) (resid 74   and name CA  )
         (resid 74   and name C   ) (resid 75   and name N   )  1.00 -44.55 25.45 2

 ASSIGN  (resid 74   and name C   ) (resid 75   and name N   )
         (resid 75   and name CA  ) (resid 75   and name C   )  1.00 -64.31 15.69 2

 ASSIGN  (resid 75   and name N   ) (resid 75   and name CA  )
         (resid 75   and name C   ) (resid 76   and name N   )  1.00 -44.15 25.85 2

 ASSIGN  (resid 75   and name C   ) (resid 76   and name N   )
         (resid 76   and name CA  ) (resid 76   and name C   )  1.00 -55.71 24.29 2

 ASSIGN  (resid 76   and name N   ) (resid 76   and name CA  )
         (resid 76   and name C   ) (resid 77   and name N   )  1.00 -44.99 25.01 2

 ASSIGN  (resid 76   and name C   ) (resid 77   and name N   )
         (resid 77   and name CA  ) (resid 77   and name C   )  1.00 -64.82 15.18 2

 ASSIGN  (resid 77   and name N   ) (resid 77   and name CA  )
         (resid 77   and name C   ) (resid 78   and name N   )  1.00 -44.68 25.32 2

 ASSIGN  (resid 77   and name C   ) (resid 78   and name N   )
         (resid 78   and name CA  ) (resid 78   and name C   )  1.00 -64.88 25.12 2

 ASSIGN  (resid 78   and name N   ) (resid 78   and name CA  )
         (resid 78   and name C   ) (resid 79   and name N   )  1.00 -43.86 26.14 2

 ASSIGN  (resid 78   and name C   ) (resid 79   and name N   )
         (resid 79   and name CA  ) (resid 79   and name C   )  1.00 -64.86 25.14 2

 ASSIGN  (resid 79   and name N   ) (resid 79   and name CA  )
         (resid 79   and name C   ) (resid 80   and name N   )  1.00 -43.66 26.34 2

 ASSIGN  (resid 79   and name C   ) (resid 80   and name N   )
         (resid 80   and name CA  ) (resid 80   and name C   )  1.00 -59.47 30.53 2

 ASSIGN  (resid 80   and name N   ) (resid 80   and name CA  )
         (resid 80   and name C   ) (resid 81   and name N   )  1.00 -43.19 26.81 2

 ASSIGN  (resid 80   and name C   ) (resid 81   and name N   )
         (resid 81   and name CA  ) (resid 81   and name C   )  1.00 -62.86 27.14 2

 ASSIGN  (resid 81   and name N   ) (resid 81   and name CA  )
         (resid 81   and name C   ) (resid 82   and name N   )  1.00 -40.42 29.58 2

 ASSIGN  (resid 81   and name C   ) (resid 82   and name N   )
         (resid 82   and name CA  ) (resid 82   and name C   )  1.00 -81.58 38.42 2

 ASSIGN  (resid 82   and name N   ) (resid 82   and name CA  )
         (resid 82   and name C   ) (resid 83   and name N   )  1.00  -9.19 40.81 2 !

 ASSIGN  (resid 82   and name C   ) (resid 83   and name N   )
         (resid 83   and name CA  ) (resid 83   and name C   )  1.00  56.49 36.49 2 !

 ASSIGN  (resid 83   and name N   ) (resid 83   and name CA  )
         (resid 83   and name C   ) (resid 84   and name N   )  1.00  41.97 41.97 2

 ASSIGN  (resid 83   and name C   ) (resid 84   and name N   )
         (resid 84   and name CA  ) (resid 84   and name C   )  1.00 -75.65 44.35 2

 ASSIGN  (resid 84   and name N   ) (resid 84   and name CA  )
         (resid 84   and name C   ) (resid 85   and name N   )  1.00 126.39 26.39 2

 ASSIGN  (resid 84   and name C   ) (resid 85   and name N   )
         (resid 85   and name CA  ) (resid 85   and name C   )  1.00 -122.20 57.80 2

 ASSIGN  (resid 85   and name N   ) (resid 85   and name CA  )
         (resid 85   and name C   ) (resid 86   and name N   )  1.00 161.32 65.32 2

 ASSIGN  (resid 86   and name C   ) (resid 87   and name N   )
         (resid 87   and name CA  ) (resid 87   and name C   )  1.00 -61.58 28.42 2

 ASSIGN  (resid 87   and name N   ) (resid 87   and name CA  )
         (resid 87   and name C   ) (resid 88   and name N   )  1.00 147.13 47.13 2

! ASSIGN  (resid 87   and name C   ) (resid 88   and name N   )
!         (resid 88   and name CA  ) (resid 88   and name C   )  1.00 -83.90 66.10 2

 ASSIGN  (resid 88   and name N   ) (resid 88   and name CA  )
         (resid 88   and name C   ) (resid 89   and name N   )  1.00 153.87 58.87 2

 ASSIGN  (resid 88   and name C   ) (resid 89   and name N   )
         (resid 89   and name CA  ) (resid 89   and name C   )  1.00 -71.52 38.48 2

 ASSIGN  (resid 89   and name N   ) (resid 89   and name CA  )
         (resid 89   and name C   ) (resid 90   and name N   )  1.00 147.93 37.93 2

 ASSIGN  (resid 89   and name C   ) (resid 90   and name N   )
         (resid 90   and name CA  ) (resid 90   and name C   )  1.00 -116.72 43.28 2

 ASSIGN  (resid 90   and name N   ) (resid 90   and name CA  )
         (resid 90   and name C   ) (resid 91   and name N   )  1.00 132.01 42.01 2

 ASSIGN  (resid 90   and name C   ) (resid 91   and name N   )
         (resid 91   and name CA  ) (resid 91   and name C   )  1.00 -123.61 26.39 2

 ASSIGN  (resid 91   and name N   ) (resid 91   and name CA  )
         (resid 91   and name C   ) (resid 92   and name N   )  1.00 126.66 26.66 2

 ASSIGN  (resid 91   and name C   ) (resid 92   and name N   )
         (resid 92   and name CA  ) (resid 92   and name C   )  1.00 -134.90 25.10 2

 ASSIGN  (resid 92   and name N   ) (resid 92   and name CA  )
         (resid 92   and name C   ) (resid 93   and name N   )  1.00 153.41 43.41 2
!!!!!!!!!
!!Chi 1!!
!!!!!!!!!

ASSIGN  (resid 14   and name N   ) (resid 14   and name CA   )
         (resid 14   and name CB  ) (resid 14   and name CG   )  1.00 -71.7 8.300 2
ASSIGN  (resid 16   and name N   ) (resid 16   and name CA   )
         (resid 16   and name CB  ) (resid 16   and name CG   )  1.00 176.5 6.300 2
ASSIGN  (resid 17   and name N   ) (resid 17   and name CA   )
         (resid 17   and name CB  ) (resid 17   and name CG   )  1.00 -72.9 12.100 2
ASSIGN  (resid 18   and name N   ) (resid 18   and name CA   )
         (resid 18   and name CB  ) (resid 18   and name CG   )  1.00 -73.3 7.800 2
ASSIGN  (resid 34   and name N   ) (resid 34   and name CA   )
         (resid 34   and name CB  ) (resid 34   and name CG   )  1.00 -74.3 11.40 2
ASSIGN  (resid 36   and name N   ) (resid 36   and name CA   )
         (resid 36   and name CB  ) (resid 36   and name CG   )  1.00 176.7 25.600 2 !!
ASSIGN  (resid 45   and name N   ) (resid 45   and name CA   )
         (resid 45   and name CB  ) (resid 45   and name CG   )  1.00 -67.5 9.200 2
ASSIGN  (resid 56   and name N   ) (resid 56   and name CA   )
         (resid 56   and name CB  ) (resid 56   and name CG   )  1.00 -60.3 5.500 2
ASSIGN  (resid 57   and name N   ) (resid 57   and name CA   )
         (resid 57   and name CB  ) (resid 57   and name CG   )  1.00 -66.5 26.600 2 !
ASSIGN  (resid 58   and name N   ) (resid 58   and name CA   )
         (resid 58   and name CB  ) (resid 58   and name CG   )  1.00 -173.4 9.800 2
ASSIGN  (resid 59   and name N   ) (resid 59   and name CA   )
         (resid 59   and name CB  ) (resid 59   and name CG   )  1.00 -58.6 6.800 2
ASSIGN  (resid 64   and name N   ) (resid 64   and name CA   )
         (resid 64   and name CB  ) (resid 64   and name CG   )  1.00 -176.2 11.90 2
ASSIGN  (resid 69   and name N   ) (resid 69   and name CA   )
         (resid 69   and name CB  ) (resid 69   and name CG   )  1.00 -62.7 8.000 2
ASSIGN  (resid 71   and name N   ) (resid 71   and name CA   )
         (resid 71   and name CB  ) (resid 71   and name CG   )  1.00 67.1 16.70 2
ASSIGN  (resid 75   and name N   ) (resid 75   and name CA   )
         (resid 75   and name CB  ) (resid 75   and name CG   )  1.00 -65.3 6.300 2
ASSIGN  (resid 77   and name N   ) (resid 77   and name CA   )
         (resid 77   and name CB  ) (resid 77   and name CG   )  1.00 -77.7 10.10 2
ASSIGN  (resid 78   and name N   ) (resid 78   and name CA   )
         (resid 78   and name CB  ) (resid 78   and name CG   )  1.00 -74.7 8.400 2
ASSIGN  (resid 79   and name N   ) (resid 79   and name CA   )
         (resid 79   and name CB  ) (resid 79   and name CG   )  1.00 -66.0 5.100 2
ASSIGN  (resid 80   and name N   ) (resid 80   and name CA   )
         (resid 80   and name CB  ) (resid 80   and name CG   )  1.00 -70.00 6.600 2
ASSIGN  (resid 82   and name N   ) (resid 82   and name CA   )
         (resid 82   and name CB  ) (resid 82   and name CG   )  1.00 -71.50 10.50 2
ASSIGN  (resid 84   and name N   ) (resid 84   and name CA   )
         (resid 84   and name CB  ) (resid 84   and name CG   )  1.00 -62.1 5.800 2
!ASSIGN  (resid 85   and name N   ) (resid 85   and name CA   )
!         (resid 85   and name CB  ) (resid 85   and name CG   )  1.00 -64.10 29.000 2!!
ASSIGN  (resid 88   and name N   ) (resid 88   and name CA   )
         (resid 88   and name CB  ) (resid 88   and name CG   )  1.00 -63.20 25.30 2
ASSIGN  (resid 89   and name N   ) (resid 89   and name CA   )
         (resid 89   and name CB  ) (resid 89   and name CG   )  1.00 -56.50 7.300 2
ASSIGN  (resid 91   and name N   ) (resid 91   and name CA   )
         (resid 91   and name CB  ) (resid 91   and name CG   )  1.00 -57.60 5.900 2

# Restraints file 2: Hbonds_cis_UPDATED.tbl
!!!!!!!!!!
!!HBonds!!
!!!!!!!!!!
assi    (resid 11   and name  O)   (resid 15   and name  N)      3.200     0.684     0.727
assi    (resid 15   and name  HN)   (resid 11   and name  O)      2.200     0.470     0.500

assi    (resid 14   and name  O)   (resid 18   and name  N)      3.200     0.684     0.727
assi    (resid 18   and name  HN)   (resid 14   and name  O)      2.200     0.470     0.500
 
assi    (resid 15   and name  O)   (resid 19   and name  N)      3.200     0.684     0.727
assi    (resid 19   and name  HN)   (resid 15   and name  O)      2.200     0.470     0.500

assi    (resid 16   and name  O)   (resid 20   and name  N)      3.200     0.684     0.727
assi    (resid 20   and name  HN)   (resid 16   and name  O)      2.200     0.470     0.500
 
assi    (resid 26   and name  HN)   (resid 41   and name  O)      2.200     0.470     0.500
assi    (resid 41   and name  O)   (resid 26   and name  N)      3.200     0.684     0.727 

assi    (resid 28   and name  O)   (resid 39   and name  N)      3.200     0.684     0.727 
assi    (resid 39   and name  HN)   (resid 28   and name  O)      2.200     0.470     0.500
 
assi    (resid 30   and name  O)   (resid 37   and name  N)      3.200     0.684     0.727
assi    (resid 37   and name  HN)   (resid 30   and name  O)      2.200     0.470     0.500 

assi    (resid 32   and name  HN)   (resid 35   and name  O)      2.200     0.470     0.500 
assi    (resid 35   and name  O)   (resid 32   and name  N)      3.200     0.684     0.727
 
assi    (resid 52   and name  O)   (resid 68   and name  N)      3.200     0.684     0.727
assi    (resid 68   and name  HN)   (resid 52   and name  O)      2.200     0.470     0.500 

assi    (resid 53   and name  O)   (resid 94   and name  N)      3.200     0.684     0.727 
assi    (resid 94   and name  HN)   (resid 53   and name  O)      2.200     0.470     0.500

assi    (resid 54   and name  O)   (resid 66   and name  N)      3.200     0.684     0.727 
assi    (resid 66   and name  HN)   (resid 54   and name  O)      2.200     0.470     0.500
 
assi    (resid 55   and name  O)   (resid 92   and name  N)      3.200     0.684     0.727
assi    (resid 92   and name  HN)   (resid 55   and name  O)      2.200     0.470     0.500 

assi    (resid 56   and name  HN)   (resid 64   and name  O)      2.200     0.470     0.500 
assi    (resid 64   and name  O)   (resid 56   and name  N)      3.200     0.684     0.727
 
!TRANS FORM ONLY
! assi    (resid 57   and name  O)   (resid 90   and name  N)      3.200     0.684     0.727
!TRANS FORM ONLY
! assi    (resid 90   and name  HN)   (resid 57   and name  O)      2.200     0.470     0.500 

!TRANS FORM ONLY
! assi    (resid 59   and name  HN)   (resid 88   and name  O)      2.200     0.470     0.500 
!TRANS FORM ONLY
! assi    (resid 88   and name  O)   (resid 59   and name  N)      3.200     0.684     0.727

!TRANS FORM ONLY consistently violated. NOT FUCKING THERE. MY LIFE IS A LIE!
! assi    (resid 58   and name  O)   (resid 62   and name  N)      3.200     0.684     0.727
!TRANS FORM ONLY consistently violated. NOT FUCKING THERE. MY LIFE IS A LIE!
! assi    (resid 62   and name  HN)   (resid 58   and name  O)      2.200     0.470     0.800

assi    (resid 71   and name  O)   (resid 75   and name  N)      3.200     0.684     0.727
assi    (resid 75   and name  HN)   (resid 71   and name  O)      2.200     0.470     0.500

assi    (resid 72   and name  O)   (resid 76   and name  N)      3.200     0.684     0.727
assi    (resid 76   and name  HN)   (resid 72   and name  O)      2.200     0.470     0.500

assi    (resid 73   and name  O)   (resid 77   and name  N)      3.200     0.684     0.727
assi    (resid 77   and name  HN)   (resid 73   and name  O)      2.200     0.470     0.500 

assi    (resid 74   and name  O)   (resid 78   and name  N)      3.200     0.684     0.727 
assi    (resid 78   and name  HN)   (resid 74   and name  O)      2.200     0.470     0.500
 
assi    (resid 75   and name  O)   (resid 79   and name  N)      3.200     0.684     0.727
assi    (resid 79   and name  HN)   (resid 75   and name  O)      2.200     0.470     0.500 

assi    (resid 76   and name  O)   (resid 80   and name  N)      3.200     0.684     0.727 
assi    (resid 80   and name  HN)   (resid 76   and name  O)      2.200     0.470     0.500
 
assi    (resid 81   and name  O)   (resid 83   and name  N)      3.200     0.684     0.727
assi    (resid 83   and name  HN)   (resid 81   and name  O)      2.200     0.470     0.500 

 

 

 

 

 

 

 

 





 

# Restraints file 3: dcis_aria_ILB2.tbl
!!!!!!!!!!!!!
!!AROMATICS!!
!!!!!!!!!!!!!

!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!Aromatic to Aromatic added from 150ms NOESY!!
ASSI { 268} (resid 54 and name HD1) (resid 52 and name HB2) 4.144 1.498 1.414 peak 268 weight 1.00000E+00 volume 4.78007E+05 ppm1 6.626 ppm2 1.406
ASSI { 89} (resid 54 and name HB2) (resid 66 and name HE#) 4.035 1.454 3.804 peak 89 weight 1.00000E+00 volume 5.61000E+05 ppm1 6.687 ppm2 2.230
OR    {  89}   (resid  64  and  name  HB1)   (resid  66  and  name  HE#)
ASSI { 227} (resid 54 and name HZ2) (resid 66 and name HZ) 4.247 1.539 0.425 peak 227 weight 1.00000E+00 volume 4.13000E+05 ppm1 6.402 ppm2 7.120
ASSI { 162} (resid 54 and name HD1) (resid 67 and name HA) 4.331 1.572 0.433 peak 162 weight 1.00000E+00 volume 3.67000E+05 ppm1 6.626 ppm2 5.680
!ASSI { 90} (resid 64 and name HB1) (resid 66 and name HZ) 4.260 1.704 1.426 peak 90 weight 1.00000E+00 volume 4.05000E+05 ppm1 6.400 ppm2 2.220
ASSI { 299} (resid 66 and name HE#) (resid 54 and name HZ2) 4.029 0.646 2.4 peak 299 weight 1.00000E+00 volume 6.66845E+05 ppm1 6.687 ppm2 7.121
ASSI { 297} (resid 66 and name HE#) (resid 54 and name HZ3) 3.725 0.585 2.4 peak 297 weight 1.00000E+00 volume 1.06716E+06 ppm1 6.686 ppm2 7.016
OR    {  297}  (resid  66  and  name  HE#)   (resid  64  and  name  HD#)
ASSI { 230} (resid 66 and name HZ) (resid 54 and name HZ2) 5.000 0.84 0.000 peak 230 weight 1.00000E+00 volume 1.54000E+05 ppm1 7.128 ppm2 6.400

!!2D50ms!!
ASSI { 95} (resid 20 and name HD1#) (resid 54 and name HZ3) 3.657 0.571 2.766 peak 95 weight 1.00000E+00 volume 1.62376E+05 ppm1 7.010 ppm2 0.004
ASSI { 97} (resid 20 and name HD1#) (resid 54 and name HE3) 3.103 0.461 2.71 peak 97 weight 1.00000E+00 volume 2.23919E+06 ppm1 7.361 ppm2 -0.000
ASSI { 20} (resid 20 and name HD1#) (resid 66 and name HE#) 3.018 0.444 5.102 peak 20 weight 1.00000E+00 volume 2.64322E+06 ppm1 6.686 ppm2 0.001
ASSI { 34} (resid 20 and name HD1#) (resid 66 and name HD#) 3.602 0.56 5.16 peak 34 weight 1.00000E+00 volume 9.14844E+05 ppm1 6.940 ppm2 0.004
ASSI { 47} (resid 27 and name HD2#) (resid 64 and name HE#) 3.349 0.51 5.135 peak 47 weight 1.00000E+00 volume 2.65948E+05 ppm1 6.780 ppm2 0.619
OR    {  47}   (resid  64  and  name  HE#)   (resid  29  and  name  HD1#)
!ASSI { 48} (resid 27 and name HD2#) (resid 64 and name HD#) 2.809 0.562 5.081 peak 48 weight 1.00000E+00 volume 4.06421E+06 ppm1 7.017 ppm2 0.622
ASSI { 18} (resid 27 and name HD1#) (resid 66 and name HE#) 2.993 0.439 5.099 peak 18 weight 1.00000E+00 volume 2.77939E+06 ppm1 6.684 ppm2 0.393
OR    {  18}   (resid  79  and  name  HD1#)  (resid  66  and  name  HE#)
ASSI { 75} (resid 45 and name HE#) (resid 45 and name HD#) 2.198 0.28 5.02 peak 75 weight 1.00000E+00 volume 5.13090E+06 ppm1 6.860 ppm2 7.051
ASSI { 79} (resid 45 and name HD#) (resid 45 and name HB1) 2.992 0.438 3.699 peak 79 weight 1.00000E+00 volume 4.58300E+05 ppm1 7.055 ppm2 2.820
ASSI { 80} (resid 45 and name HD#) (resid 45 and name HB2) 2.947 0.429 3.695 peak 80 weight 1.00000E+00 volume 5.05214E+05 ppm1 7.053 ppm2 3.262
ASSI { 64} (resid 49 and name HE#) (resid 49 and name HD#) 2.295 0.299 5.03 peak 64 weight 1.00000E+00 volume 2.52419E+06 ppm1 6.921 ppm2 7.213
ASSI { 77} (resid 49 and name HD#) (resid 49 and name HB2) 3.319 0.504 3.732 peak 77 weight 1.00000E+00 volume 2.55108E+05 ppm1 7.216 ppm2 3.491
ASSI { 78} (resid 49 and name HD#) (resid 49 and name HB1) 3.008 0.442 3.701 peak 78 weight 1.00000E+00 volume 2.69749E+06 ppm1 7.218 ppm2 2.852
!increased bound 2A
ASSI { 108} (resid 54 and name HH2) (resid 16 and name HG1#) 2.950 0.43 3.295 peak 108 weight 1.00000E+00 volume 5.11666E+05 ppm1 6.950 ppm2 1.175
ASSI { 88} (resid 54 and name HZ2) (resid 54 and name HH2) 2.354 0.311 0.235 peak 88 weight 1.00000E+00 volume 1.85380E+06 ppm1 7.123 ppm2 6.955
ASSI { 90} (resid 54 and name HZ3) (resid 54 and name HE3) 2.396 0.319 0.240 peak 90 weight 1.00000E+00 volume 1.70405E+06 ppm1 7.010 ppm2 7.360
ASSI { 92} (resid 54 and name HH2) (resid 54 and name HZ3) 2.113 0.233 0.211 peak 92 weight 1.00000E+00 volume 1.78402E+06 ppm1 7.013 ppm2 6.949
ASSI { 100} (resid 54 and name HE3) (resid 54 and name HB2) 3.261 0.492 1.326 peak 100 weight 1.00000E+00 volume 2.79010E+05 ppm1 7.356 ppm2 2.173
ASSI { 126} (resid 54 and name HZ2) (resid 91 and name HG2#) 2.509 0.342 2.751 peak 126 weight 1.00000E+00 volume 8.01254E+06 ppm1 7.123 ppm2 1.104
ASSI { 119} (resid 54 and name HZ2) (resid 92 and name HA) 3.093 0.459 0.309 peak 119 weight 1.00000E+00 volume 5.12326E+05 ppm1 7.123 ppm2 5.004
!violated a lot, but present in the trans form, no chem shift changes
ASSI { 102} (resid 54 and name HE3) (resid 93 and name HB1) 3.468 0.534 2.347 peak 102 weight 1.00000E+00 volume 1.14800E+06 ppm1 7.357 ppm2 1.006
ASSI { 120} (resid 56 and name HG11) (resid 54 and name HZ3) 3.361 0.512 1.336 peak 120 weight 1.00000E+00 volume 2.14371E+05 ppm1 7.012 ppm2 1.187
ASSI { 43} (resid 56 and name HG12) (resid 64 and name HD#) 2.941 0.428 3.694 peak 43 weight 1.00000E+00 volume 3.08859E+06 ppm1 7.014 ppm2 1.941
ASSI { 83} (resid 57 and name HE#) (resid 55 and name HA2) 2.847 0.409 2.685 peak 83 weight 1.00000E+00 volume 6.05948E+05 ppm1 7.213 ppm2 3.220
ASSI { 110} (resid 57 and name HE#) (resid 55 and name HA1) 3.560 0.552 2.756 peak 110 weight 1.00000E+00 volume 1.72292E+05 ppm1 7.214 ppm2 5.131
ASSI { 74} (resid 57 and name HE#) (resid 56 and name HA) 3.101 0.46 2.71 peak 74 weight 1.00000E+00 volume 2.24740E+06 ppm1 7.217 ppm2 4.845
OR    {  74}   (resid  57  and  name  HE#)   (resid  61  and  name  HA)
ASSI { 86} (resid 57 and name HD#) (resid 56 and name HA) 3.086 0.457 2.709 peak 86 weight 1.00000E+00 volume 4.35723E+05 ppm1 7.056 ppm2 4.832
ASSI { 56} (resid 57 and name HD#) (resid 57 and name HE#) 2.145 0.265 5.015 peak 56 weight 1.00000E+00 volume 3.34528E+06 ppm1 7.061 ppm2 7.211
ASSI { 58} (resid 57 and name HD#) (resid 57 and name HB2) 2.636 0.367 3.664 peak 58 weight 1.00000E+00 volume 1.09874E+06 ppm1 7.060 ppm2 2.504
ASSI { 59} (resid 57 and name HD#) (resid 57 and name HB1) 2.570 0.354 3.657 peak 59 weight 1.00000E+00 volume 1.16473E+06 ppm1 7.062 ppm2 3.173
ASSI { 66} (resid 57 and name HE#) (resid 57 and name HZ) 1.944 0.064 2.594 peak 66 weight 1.00000E+00 volume 5.69232E+06 ppm1 7.214 ppm2 7.282
ASSI { 67} (resid 57 and name HD#) (resid 57 and name HZ) 2.527 0.345 2.653 peak 67 weight 1.00000E+00 volume 1.18722E+06 ppm1 7.060 ppm2 7.280
ASSI { 84} (resid 57 and name HD#) (resid 57 and name HA) 3.315 0.503 2.732 peak 84 weight 1.00000E+00 volume 2.82670E+05 ppm1 7.059 ppm2 5.400
ASSI { 60} (resid 57 and name HD#) (resid 62 and name HB2) 2.909 0.422 3.691 peak 60 weight 1.00000E+00 volume 5.28837E+05 ppm1 7.060 ppm2 1.255
ASSI { 115} (resid 57 and name HE#) (resid 62 and name HD2) 3.276 0.495 3.728 peak 115 weight 1.00000E+00 volume 2.44936E+05 ppm1 7.217 ppm2 1.425
ASSI { 116} (resid 57 and name HZ) (resid 62 and name HD2) 3.270 0.494 1.327 peak 116 weight 1.00000E+00 volume 2.42603E+05 ppm1 7.278 ppm2 1.433
ASSI { 85} (resid 57 and name HD#) (resid 91 and name HA) 3.727 0.585 2.773 peak 85 weight 1.00000E+00 volume 1.72985E+05 ppm1 7.060 ppm2 5.572
ASSI { 61} (resid 57 and name HE#) (resid 92 and name HD2) 2.669 0.374 3.667 peak 61 weight 1.00000E+00 volume 8.77851E+05 ppm1 7.211 ppm2 1.258
ASSI { 62} (resid 57 and name HE#) (resid 92 and name HG2) 2.993 0.439 3.699 peak 62 weight 1.00000E+00 volume 4.04798E+05 ppm1 7.213 ppm2 1.144
ASSI { 63} (resid 57 and name HE#) (resid 94 and name HG2#) 2.526 0.345 4.153 peak 63 weight 1.00000E+00 volume 1.42474E+06 ppm1 7.213 ppm2 0.924
ASSI { 42} (resid 64 and name HE#) (resid 54 and name HB2) 2.977 0.435 3.698 peak 42 weight 1.00000E+00 volume 2.87336E+06 ppm1 6.782 ppm2 2.235
ASSI { 44} (resid 64 and name HD#) (resid 56 and name HB) 2.950 0.43 2.695 peak 44 weight 1.00000E+00 volume 3.03431E+06 ppm1 7.016 ppm2 1.859
ASSI { 46} (resid 64 and name HE#) (resid 56 and name HD1#) 3.271 0.494 4.227 peak 46 weight 1.00000E+00 volume 2.80492E+05 ppm1 6.781 ppm2 0.908
ASSI { 49} (resid 64 and name HD#) (resid 56 and name HD1#) 2.549 0.35 4.155 peak 49 weight 1.00000E+00 volume 7.27877E+06 ppm1 7.019 ppm2 0.905
ASSI { 54} (resid 64 and name HE#) (resid 56 and name HG2#) 3.442 0.528 4.244 peak 54 weight 1.00000E+00 volume 1.20270E+06 ppm1 6.782 ppm2 0.798
ASSI { 35} (resid 64 and name HD#) (resid 64 and name HB2) 2.500 0.34 3.65 peak 35 weight 1.00000E+00 volume 8.19305E+06 ppm1 7.019 ppm2 2.171
ASSI { 36} (resid 64 and name HD#) (resid 64 and name HB1) 2.786 0.397 3.679 peak 36 weight 1.00000E+00 volume 4.27793E+06 ppm1 7.025 ppm2 3.402
ASSI { 37} (resid 64 and name HD#) (resid 64 and name HE#) 2.184 0.277 5.018 peak 37 weight 1.00000E+00 volume 1.39122E+07 ppm1 7.022 ppm2 6.782
ASSI { 114} (resid 64 and name HE#) (resid 65 and name HB) 3.532 0.546 2.753 peak 114 weight 1.00000E+00 volume 2.00212E+05 ppm1 6.780 ppm2 3.762
ASSI { 10} (resid 66 and name HZ) (resid 20 and name HD1#) 3.191 0.478 2.719 peak 10 weight 1.00000E+00 volume 3.15255E+05 ppm1 6.401 ppm2 -0.001
ASSI { 8} (resid 66 and name HZ) (resid 27 and name HD1#) 2.972 0.434 2.697 peak 8 weight 1.00000E+00 volume 2.89950E+06 ppm1 6.401 ppm2 0.405
OR    {  8}    (resid  66  and  name  HZ)    (resid  79  and  name  HD1#)
ASSI { 15} (resid 66 and name HE#) (resid 56 and name HG12) 3.291 0.498 3.729 peak 15 weight 1.00000E+00 volume 2.47135E+05 ppm1 6.684 ppm2 1.938
ASSI { 118} (resid 66 and name HE#) (resid 56 and name HG11) 3.433 0.527 3.743 peak 118 weight 1.00000E+00 volume 1.73927E+05 ppm1 6.685 ppm2 1.221
ASSI { 39} (resid 66 and name HB1) (resid 64 and name HE#) 2.778 0.396 3.678 peak 39 weight 1.00000E+00 volume 7.78568E+05 ppm1 6.780 ppm2 3.188
ASSI { 40} (resid 66 and name HB2) (resid 64 and name HE#) 3.127 0.465 3.713 peak 40 weight 1.00000E+00 volume 3.59145E+05 ppm1 6.779 ppm2 2.963
ASSI { 87} (resid 66 and name HD#) (resid 64 and name HE#) 2.522 0.344 5.052 peak 87 weight 1.00000E+00 volume 7.37968E+05 ppm1 6.943 ppm2 6.779
ASSI { 12} (resid 66 and name HZ) (resid 66 and name HD#) 3.420 0.524 2.742 peak 12 weight 1.00000E+00 volume 2.00382E+05 ppm1 6.401 ppm2 6.941
ASSI { 14} (resid 66 and name HE#) (resid 66 and name HD#) 2.334 0.307 5.033 peak 14 weight 1.00000E+00 volume 1.23725E+07 ppm1 6.686 ppm2 6.945
ASSI { 26} (resid 66 and name HD#) (resid 66 and name HB1) 2.713 0.383 3.671 peak 26 weight 1.00000E+00 volume 5.01211E+06 ppm1 6.939 ppm2 3.183
ASSI { 27} (resid 66 and name HD#) (resid 66 and name HB2) 2.707 0.381 3.671 peak 27 weight 1.00000E+00 volume 5.08376E+06 ppm1 6.938 ppm2 2.958
ASSI { 104} (resid 66 and name HD#) (resid 66 and name HA) 2.818 0.404 2.682 peak 104 weight 1.00000E+00 volume 3.98717E+06 ppm1 6.950 ppm2 5.004
ASSI { 6} (resid 66 and name HZ) (resid 72 and name HG1#) 3.296 0.499 1.33 peak 6 weight 1.00000E+00 volume 2.99990E+05 ppm1 6.399 ppm2 1.103
ASSI { 21} (resid 66 and name HE#) (resid 75 and name HG2#) 3.474 0.535 4.247 peak 21 weight 1.00000E+00 volume 1.93498E+05 ppm1 6.682 ppm2 0.240
ASSI { 29} (resid 66 and name HE#) (resid 75 and name HD1#) 3.302 0.5 4.23 peak 29 weight 1.00000E+00 volume 2.41300E+05 ppm1 6.686 ppm2 0.792
ASSI { 30} (resid 66 and name HD#) (resid 75 and name HD1#) 2.666 0.373 4.167 peak 30 weight 1.00000E+00 volume 9.63808E+05 ppm1 6.938 ppm2 0.795
ASSI { 33} (resid 66 and name HD#) (resid 75 and name HG2#) 3.026 0.445 4.203 peak 33 weight 1.00000E+00 volume 2.60166E+06 ppm1 6.940 ppm2 0.241
ASSI { 16} (resid 72 and name HG1#) (resid 66 and name HE#) 3.178 0.476 3.718 peak 16 weight 1.00000E+00 volume 3.37638E+05 ppm1 6.681 ppm2 1.102
!ASSI { 17} (resid 72 and name HG2#) (resid 66 and name HE#) 2.733 0.547 3.673 peak 17 weight 1.00000E+00 volume 6.26962E+05 ppm1 6.683 ppm2 0.945
ASSI { 28} (resid 72 and name HG1#) (resid 66 and name HD#) 2.875 0.415 3.688 peak 28 weight 1.00000E+00 volume 3.53803E+06 ppm1 6.941 ppm2 0.947
ASSI { 51} (resid 75 and name HG2#) (resid 64 and name HE#) 2.548 0.35 4.155 peak 51 weight 1.00000E+00 volume 1.49647E+06 ppm1 6.781 ppm2 0.241
OR    {  51}   (resid  79  and  name  HG12)  (resid  64  and  name  HE#)
ASSI { 45} (resid 79 and name HG11) (resid 64 and name HE#) 3.141 0.468 3.714 peak 45 weight 1.00000E+00 volume 3.62981E+05 ppm1 6.782 ppm2 1.530
ASSI { 50} (resid 79 and name HD1#) (resid 64 and name HE#) 3.013 0.443 4.201 peak 50 weight 1.00000E+00 volume 2.67085E+06 ppm1 6.781 ppm2 0.378
ASSI { 52} (resid 79 and name HG12) (resid 64 and name HD#) 3.250 0.49 3.725 peak 52 weight 1.00000E+00 volume 1.69702E+06 ppm1 7.017 ppm2 0.244
ASSI { 53} (resid 79 and name HD1#) (resid 64 and name HD#) 3.266 0.493 4.227 peak 53 weight 1.00000E+00 volume 1.64622E+06 ppm1 7.017 ppm2 0.384
ASSI { 31} (resid 79 and name HD1#) (resid 66 and name HD#) 3.256 0.491 4.226 peak 31 weight 1.00000E+00 volume 1.67624E+06 ppm1 6.942 ppm2 0.393
OR    {  31}   (resid  27  and  name  HD1#)  (resid  66  and  name  HD#)
ASSI { 117} (resid 92 and name HD2) (resid 57 and name HZ) 3.413 0.523 1.341 peak 117 weight 1.00000E+00 volume 1.26405E+06 ppm1 7.278 ppm2 1.254

!!Y88 CIS from  150ms NOESY!!
ASSI { 1} (resid 58 and name HB) (resid 88 and name HD#) 2.596 0.619 4.66 peak 1 weight 1.00000E+00 volume 6.54133E+06 ppm1 7.066 ppm2 2.080
!ASSI { 2} (resid 58 and name HB) (resid 88 and name HE#) 2.951 0.885 4.695 peak 2 weight 1.00000E+00 volume 3.02955E+06 ppm1 6.803 ppm2 2.085
ASSI { 10} (resid 86 and name HA2) (resid 88 and name HD#) 2.867 0.7 4.687 peak 10 weight 1.00000E+00 volume 5.69886E+05 ppm1 7.065 ppm2 4.368
ASSI { 11} (resid 86 and name HA2) (resid 88 and name HE#) 2.950 0.725 4.695 peak 11 weight 1.00000E+00 volume 6.20739E+05 ppm1 6.804 ppm2 4.386
ASSI { 3} (resid 87 and name HB2) (resid 88 and name HE#) 2.826 0.688 3.683 peak 3 weight 1.00000E+00 volume 6.33571E+05 ppm1 6.802 ppm2 1.867
ASSI { 4} (resid 87 and name HB1) (resid 88 and name HE#) 2.854 0.696 3.685 peak 4 weight 1.00000E+00 volume 3.70564E+06 ppm1 6.800 ppm2 1.728
OR    {  4}   (resid  89  and  name  HB)   (resid  88  and  name  HE#)
ASSI { 6} (resid 87 and name HB2) (resid 88 and name HD#) 2.455 0.475 3.646 peak 6 weight 1.00000E+00 volume 1.22340E+06 ppm1 7.064 ppm2 1.883
!resid 87 and name HD1
ASSI { 12} (resid 59 and name HB2) (resid 88 and name HD#) 2.303 0.323 3.63 peak 12 weight 1.00000E+00 volume 2.22013E+06 ppm1 7.064 ppm2 3.258
ASSI { 7} (resid 88 and name HB2) (resid 88 and name HD#) 2.012 0.042 3.601 peak 7 weight 1.00000E+00 volume 5.06747E+06 ppm1 7.062 ppm2 3.167
ASSI { 14} (resid 89 and name HB) (resid 88 and name HD#) 2.680 0.644 2.668 peak 14 weight 1.00000E+00 volume 6.89023E+05 ppm1 7.064 ppm2 1.736
OR    {  14}  (resid  87  and  name  HB1)  (resid  88  and  name  HD#)


!!!!!!!!!!!!!
!!N15 NOES !!
!!!!!!!!!!!!!
ASSI { 790} (resid 4 and name HN) (resid 4 and name HA) 2.483 0.665 1.748 peak 790 weight 1.00000E+00 volume 2.14880E+06 ppm1 8.232 ppm2 4.136
ASSI { 792} (resid 4 and name HN) (resid 4 and name HB2) 2.158 0.358 1.216 peak 792 weight 1.00000E+00 volume 4.98345E+06 ppm1 8.233 ppm2 2.277
ASSI { 793} (resid 4 and name HN) (resid 4 and name HB1) 2.640 0.712 1.264 peak 793 weight 1.00000E+00 volume 1.48619E+06 ppm1 8.234 ppm2 1.921
ASSI { 789} (resid 4 and name HN) (resid 5 and name HA) 2.509 0.673 1.751 peak 789 weight 1.00000E+00 volume 2.01984E+06 ppm1 8.231 ppm2 4.291
ASSI { 794} (resid 4 and name HN) (resid 5 and name HB#) 4.542 1.283 1.954 peak 794 weight 1.00000E+00 volume -5.73321E+04 ppm1 8.231 ppm2 1.460
ASSI { 770} (resid 8 and name HN) (resid 8 and name HG2) 1.993 0.193 1.199 peak 770 weight 1.00000E+00 volume 8.02698E+06 ppm1 8.227 ppm2 2.375
ASSI { 773} (resid 8 and name HN) (resid 9 and name HE21) 3.196 0.879 0.320 peak 773 weight 1.00000E+00 volume -5.34479E+04 ppm1 8.224 ppm2 7.388
!inc bound 1A
ASSI { 771} (resid 8 and name HN) (resid 12 and name HB2) 2.095 0.295 2.209 peak 771 weight 1.00000E+00 volume 2.83430E+05 ppm1 8.225 ppm2 4.221
!ASSI { 1008} (resid 11 and name HB2) (resid 10 and name HN) 2.383 0.663 2.238 peak 1008 weight 1.00000E+00 volume 2.55536E+05 ppm1 8.323 ppm2 3.013
ASSI { 1010} (resid 11 and name HN) (resid 10 and name HA) 2.396 0.496 1.74 peak 1010 weight 1.00000E+00 volume 2.28858E+05 ppm1 8.320 ppm2 4.718
ASSI { 1011} (resid 11 and name HB1) (resid 11 and name HN) 2.802 0.76 1.28 peak 1011 weight 1.00000E+00 volume 2.01543E+05 ppm1 8.352 ppm2 2.757
ASSI { 1009} (resid 12 and name HB1) (resid 10 and name HN) 2.219 0.419 1.222 peak 1009 weight 1.00000E+00 volume 4.21890E+06 ppm1 8.320 ppm2 4.303
ASSI { 1004} (resid 12 and name HN) (resid 11 and name HB2) 2.681 0.724 1.268 peak 1004 weight 1.00000E+00 volume 4.16401E+05 ppm1 7.969 ppm2 3.009
ASSI { 1007} (resid 12 and name HN) (resid 11 and name HA) 2.707 0.732 1.771 peak 1007 weight 1.00000E+00 volume 2.07047E+05 ppm1 7.971 ppm2 4.662
ASSI { 1013} (resid 12 and name HB1) (resid 11 and name HN) 2.663 0.719 1.266 peak 1013 weight 1.00000E+00 volume 3.64245E+05 ppm1 8.347 ppm2 4.282
ASSI { 1005} (resid 12 and name HB2) (resid 12 and name HN) 2.350 0.55 1.235 peak 1005 weight 1.00000E+00 volume 9.43441E+05 ppm1 7.974 ppm2 4.193
ASSI { 1006} (resid 12 and name HN) (resid 12 and name HA) 2.558 0.687 1.756 peak 1006 weight 1.00000E+00 volume 1.79751E+06 ppm1 7.968 ppm2 4.485
ASSI { 1003} (resid 12 and name HB1) (resid 13 and name HN) 2.555 0.687 1.256 peak 1003 weight 1.00000E+00 volume 1.80975E+06 ppm1 8.000 ppm2 4.288
ASSI { 998} (resid 13 and name HN) (resid 13 and name HG2#) 2.815 0.765 1.782 peak 998 weight 1.00000E+00 volume 1.40014E+05 ppm1 8.000 ppm2 0.755
ASSI { 999} (resid 13 and name HG12) (resid 13 and name HN) 2.830 0.769 1.283 peak 999 weight 1.00000E+00 volume 1.39848E+05 ppm1 8.000 ppm2 1.191
ASSI { 1000} (resid 13 and name HG11) (resid 13 and name HN) 2.691 0.727 1.269 peak 1000 weight 1.00000E+00 volume 1.53135E+05 ppm1 8.000 ppm2 1.648
ASSI { 1001} (resid 13 and name HN) (resid 13 and name HB) 2.408 0.608 0.241 peak 1001 weight 1.00000E+00 volume 2.77410E+05 ppm1 8.000 ppm2 2.028
ASSI { 1002} (resid 13 and name HN) (resid 13 and name HA) 2.823 0.767 1.782 peak 1002 weight 1.00000E+00 volume 1.31768E+05 ppm1 8.002 ppm2 3.750
ASSI { 968} (resid 14 and name HN) (resid 13 and name HG12) 2.627 0.708 1.263 peak 968 weight 1.00000E+00 volume 1.53276E+06 ppm1 8.470 ppm2 1.194
ASSI { 752} (resid 14 and name HD21) (resid 14 and name HD22) 3.208 1.882 0.321 peak 752 weight 1.00000E+00 volume 4.62270E+05 ppm1 7.970 ppm2 7.422
ASSI { 755} (resid 14 and name HB2) (resid 14 and name HD22) 3.548 0.984 1.355 peak 755 weight 1.00000E+00 volume 8.64906E+03 ppm1 7.450 ppm2 2.816
OR    {  755}   (resid  18  and  name  HB1)   (resid  14  and  name  HD22)
ASSI { 995} (resid 14 and name HB1) (resid 14 and name HN) 2.056 0.256 1.206 peak 995 weight 1.00000E+00 volume 4.08078E+05 ppm1 8.467 ppm2 3.018
ASSI { 993} (resid 14 and name HB1) (resid 15 and name HN) 3.288 0.907 1.329 peak 993 weight 1.00000E+00 volume 1.19659E+05 ppm1 8.323 ppm2 3.026
ASSI { 989} (resid 15 and name HN) (resid 14 and name HA) 2.969 0.811 1.797 peak 989 weight 1.00000E+00 volume 1.49921E+05 ppm1 8.317 ppm2 4.737
ASSI { 991} (resid 15 and name HB2) (resid 15 and name HN) 2.828 0.768 1.283 peak 991 weight 1.00000E+00 volume 1.48948E+05 ppm1 8.323 ppm2 4.484
ASSI { 992} (resid 15 and name HA) (resid 15 and name HN) 2.813 0.764 1.781 peak 992 weight 1.00000E+00 volume 1.67872E+05 ppm1 8.319 ppm2 4.235
!inc bound 1A
ASSI { 966} (resid 16 and name HB) (resid 14 and name HN) 2.634 0.71 2.263 peak 966 weight 1.00000E+00 volume 1.24950E+05 ppm1 8.469 ppm2 2.294
ASSI { 987} (resid 16 and name HN) (resid 15 and name HA) 2.635 0.711 1.764 peak 987 weight 1.00000E+00 volume 3.64297E+05 ppm1 7.913 ppm2 4.205
ASSI { 988} (resid 16 and name HN) (resid 15 and name HB2) 3.067 0.84 1.307 peak 988 weight 1.00000E+00 volume 1.25136E+05 ppm1 7.913 ppm2 4.494
ASSI { 983} (resid 16 and name HG2#) (resid 16 and name HN) 2.905 0.791 2.79 peak 983 weight 1.00000E+00 volume 1.66350E+05 ppm1 7.911 ppm2 0.911
ASSI { 984} (resid 16 and name HG1#) (resid 16 and name HN) 2.514 0.674 1.251 peak 984 weight 1.00000E+00 volume 3.40623E+05 ppm1 7.912 ppm2 1.219
ASSI { 985} (resid 16 and name HB) (resid 16 and name HN) 2.307 0.507 0.231 peak 985 weight 1.00000E+00 volume 4.52675E+05 ppm1 7.912 ppm2 2.324
ASSI { 986} (resid 16 and name HN) (resid 16 and name HA) 2.431 0.631 1.743 peak 986 weight 1.00000E+00 volume 2.43867E+06 ppm1 7.913 ppm2 3.843
ASSI { 733} (resid 17 and name HN) (resid 14 and name HB2) 2.954 0.806 2.295 peak 733 weight 1.00000E+00 volume 7.57501E+05 ppm1 8.263 ppm2 2.849
ASSI { 734} (resid 17 and name HN) (resid 16 and name HB) 3.502 0.971 0.350 peak 734 weight 1.00000E+00 volume 2.72999E+05 ppm1 8.262 ppm2 2.296
ASSI { 982} (resid 17 and name HN) (resid 16 and name HN) 2.613 0.704 1.761 peak 982 weight 1.00000E+00 volume 3.29730E+05 ppm1 8.264 ppm2 7.869
ASSI { 732} (resid 17 and name HN) (resid 19 and name HE2) 2.671 0.721 1.267 peak 732 weight 1.00000E+00 volume 2.66256E+05 ppm1 8.263 ppm2 3.107
OR    {  732}   (resid  17  and  name  HN)    (resid  19  and  name  HE1)
ASSI { 731} (resid 18 and name HA) (resid 17 and name HN) 2.562 0.678 2.400 peak 731 weight 1.00000E+00 volume 1.78217E+06 ppm1 8.262 ppm2 4.562
ASSI { 979} (resid 18 and name HA) (resid 18 and name HN) 2.463 0.659 1.746 peak 979 weight 1.00000E+00 volume 3.05974E+05 ppm1 7.560 ppm2 4.594
ASSI { 981} (resid 18 and name HB2) (resid 18 and name HN) 2.140 0.34 1.214 peak 981 weight 1.00000E+00 volume 7.85298E+05 ppm1 7.560 ppm2 2.914
ASSI { 722} (resid 19 and name HN) (resid 18 and name HB2) 2.585 0.696 1.259 peak 722 weight 1.00000E+00 volume 1.68700E+06 ppm1 7.814 ppm2 2.844
ASSI { 980} (resid 19 and name HE2) (resid 18 and name HN) 2.842 0.773 1.284 peak 980 weight 1.00000E+00 volume 2.32326E+05 ppm1 7.562 ppm2 3.109
OR    {  980}   (resid  19  and  name  HE1)   (resid  18  and  name  HN)
ASSI { 720} (resid 19 and name HN) (resid 19 and name HD2) 2.174 0.374 1.217 peak 720 weight 1.00000E+00 volume 4.77018E+06 ppm1 7.816 ppm2 1.946
ASSI { 721} (resid 19 and name HB2) (resid 19 and name HN) 2.041 0.241 1.204 peak 721 weight 1.00000E+00 volume 6.97361E+06 ppm1 7.814 ppm2 2.201
ASSI { 724} (resid 19 and name HN) (resid 19 and name HA) 2.582 0.695 1.758 peak 724 weight 1.00000E+00 volume 1.69943E+06 ppm1 7.815 ppm2 4.291
!ASSI { 713} (resid 20 and name HN) (resid 16 and name HG1#) 3.342 1.003 1.334 peak 713 weight 1.00000E+00 volume -3.61214E+05 ppm1 7.836 ppm2 1.185
ASSI { 708} (resid 20 and name HN) (resid 17 and name HA) 3.048 0.834 1.805 peak 708 weight 1.00000E+00 volume 6.28328E+05 ppm1 7.836 ppm2 4.530
ASSI { 710} (resid 20 and name HN) (resid 19 and name HB2) 2.721 0.736 1.272 peak 710 weight 1.00000E+00 volume 1.24041E+06 ppm1 7.837 ppm2 2.200
ASSI { 719} (resid 20 and name HB2) (resid 19 and name HN) 2.436 0.636 1.244 peak 719 weight 1.00000E+00 volume 2.40680E+06 ppm1 7.817 ppm2 1.774
ASSI { 709} (resid 20 and name HA) (resid 20 and name HN) 2.504 0.671 1.75 peak 709 weight 1.00000E+00 volume 2.04469E+06 ppm1 7.838 ppm2 4.288
ASSI { 711} (resid 20 and name HN) (resid 20 and name HB2) 2.180 0.38 1.218 peak 711 weight 1.00000E+00 volume 4.68655E+06 ppm1 7.835 ppm2 1.747
ASSI { 712} (resid 20 and name HN) (resid 20 and name HG) 2.330 0.53 0.233 peak 712 weight 1.00000E+00 volume 3.14415E+06 ppm1 7.835 ppm2 1.431
ASSI { 718} (resid 20 and name HN) (resid 20 and name HD1#) 3.265 0.9 3.627 peak 718 weight 1.00000E+00 volume 1.60749E+03 ppm1 7.841 ppm2 0.080
ASSI { 697} (resid 20 and name HA) (resid 21 and name HN) 2.740 0.742 1.774 peak 697 weight 1.00000E+00 volume 1.18889E+06 ppm1 7.326 ppm2 4.289
ASSI { 696} (resid 21 and name HN) (resid 18 and name HA) 3.127 0.858 1.813 peak 696 weight 1.00000E+00 volume 5.38857E+05 ppm1 7.324 ppm2 4.660
ASSI { 694} (resid 21 and name HN) (resid 20 and name HN) 2.355 0.555 1.736 peak 694 weight 1.00000E+00 volume -6.95985E+03 ppm1 7.326 ppm2 7.845
ASSI { 700} (resid 21 and name HN) (resid 20 and name HB2) 2.706 0.732 1.271 peak 700 weight 1.00000E+00 volume 1.28334E+06 ppm1 7.327 ppm2 1.746
ASSI { 707} (resid 21 and name HN) (resid 20 and name HN) 2.373 0.573 1.737 peak 707 weight 1.00000E+00 volume 2.81696E+06 ppm1 7.840 ppm2 7.356
ASSI { 859} (resid 21 and name HB1) (resid 20 and name HN) 4.119 1.156 1.412 peak 859 weight 1.00000E+00 volume 1.03123E+05 ppm1 7.842 ppm2 2.923
ASSI { 695} (resid 21 and name HA) (resid 21 and name HN) 2.524 0.677 1.752 peak 695 weight 1.00000E+00 volume -4.57004E+04 ppm1 7.326 ppm2 4.929
ASSI { 698} (resid 21 and name HB2) (resid 21 and name HN) 2.343 0.543 1.234 peak 698 weight 1.00000E+00 volume 3.04584E+06 ppm1 7.325 ppm2 3.216
ASSI { 699} (resid 21 and name HB1) (resid 21 and name HN) 2.313 0.513 1.231 peak 699 weight 1.00000E+00 volume -2.75404E+03 ppm1 7.325 ppm2 2.941
ASSI { 702} (resid 21 and name HD21) (resid 21 and name HD22) 1.845 0.045 0.185 peak 702 weight 1.00000E+00 volume 2.59006E+05 ppm1 6.880 ppm2 7.613
ASSI { 703} (resid 21 and name HD21) (resid 21 and name HD22) 1.850 0.00 0.173 peak 703 weight 1.00000E+00 volume 1.87301E+07 ppm1 7.605 ppm2 6.831
ASSI { 682} (resid 21 and name HA) (resid 22 and name HN) 2.148 0.348 1.715 peak 682 weight 1.00000E+00 volume 2.95358E+04 ppm1 8.171 ppm2 4.924
ASSI { 684} (resid 22 and name HN) (resid 20 and name HA) 3.458 0.957 1.846 peak 684 weight 1.00000E+00 volume 2.94731E+05 ppm1 8.171 ppm2 4.292
ASSI { 685} (resid 22 and name HN) (resid 21 and name HB2) 4.827 1.368 1.483 peak 685 weight 1.00000E+00 volume -3.98227E+04 ppm1 8.174 ppm2 3.196
ASSI { 701} (resid 22 and name HG2) (resid 21 and name HN) 2.938 0.801 1.294 peak 701 weight 1.00000E+00 volume 2.86779E+04 ppm1 7.325 ppm2 1.453
ASSI { 857} (resid 22 and name HN) (resid 21 and name HN) 3.041 0.832 1.804 peak 857 weight 1.00000E+00 volume -6.37058E+05 ppm1 7.325 ppm2 8.139
ASSI { 976} (resid 22 and name HN) (resid 21 and name HN) 3.039 0.832 1.804 peak 976 weight 1.00000E+00 volume 6.39166E+05 ppm1 8.174 ppm2 7.380
ASSI { 683} (resid 22 and name HA) (resid 22 and name HN) 2.686 0.726 1.769 peak 683 weight 1.00000E+00 volume 1.33952E+06 ppm1 8.171 ppm2 4.554
ASSI { 687} (resid 22 and name HN) (resid 22 and name HB2) 2.829 0.769 1.283 peak 687 weight 1.00000E+00 volume 9.81271E+05 ppm1 8.176 ppm2 2.185
ASSI { 688} (resid 22 and name HN) (resid 22 and name HB1) 2.271 0.471 1.227 peak 688 weight 1.00000E+00 volume 3.66695E+06 ppm1 8.175 ppm2 1.870
ASSI { 689} (resid 22 and name HN) (resid 22 and name HG2) 2.380 0.58 1.238 peak 689 weight 1.00000E+00 volume 1.22518E+05 ppm1 8.173 ppm2 1.479
ASSI { 671} (resid 23 and name HN) (resid 21 and name HA) 4.025 1.127 1.902 peak 671 weight 1.00000E+00 volume 1.18482E+05 ppm1 8.499 ppm2 4.930
ASSI { 672} (resid 23 and name HN) (resid 22 and name HA) 3.114 0.854 1.811 peak 672 weight 1.00000E+00 volume 7.35308E+03 ppm1 8.502 ppm2 4.618
ASSI { 677} (resid 23 and name HN) (resid 22 and name HN) 2.438 0.638 1.744 peak 677 weight 1.00000E+00 volume 2.39904E+06 ppm1 8.498 ppm2 8.148
ASSI { 693} (resid 23 and name HN) (resid 22 and name HN) 2.470 0.661 1.747 peak 693 weight 1.00000E+00 volume -3.79212E+03 ppm1 8.171 ppm2 8.529
ASSI { 975} (resid 23 and name HN) (resid 22 and name HB1) 3.547 0.984 1.355 peak 975 weight 1.00000E+00 volume 1.87321E+04 ppm1 8.504 ppm2 1.854
ASSI { 669} (resid 23 and name HA2) (resid 23 and name HN) 2.381 0.581 0.238 peak 669 weight 1.00000E+00 volume -5.97586E+04 ppm1 8.499 ppm2 4.020
ASSI { 670} (resid 23 and name HA1) (resid 23 and name HN) 2.337 0.537 0.234 peak 670 weight 1.00000E+00 volume -3.83320E+04 ppm1 8.499 ppm2 4.198
ASSI { 664} (resid 23 and name HA2) (resid 24 and name HN) 2.687 0.726 0.269 peak 664 weight 1.00000E+00 volume 1.33666E+06 ppm1 8.842 ppm2 4.030
!resid 24 and name HG2
ASSI { 690} (resid 26 and name HG2) (resid 22 and name HN) 2.917 0.795 1.292 peak 690 weight 1.00000E+00 volume 8.17258E+05 ppm1 8.173 ppm2 1.179
ASSI { 662} (resid 24 and name HN) (resid 23 and name HN) 2.422 0.622 1.742 peak 662 weight 1.00000E+00 volume 4.38355E+05 ppm1 8.843 ppm2 8.488
ASSI { 665} (resid 24 and name HN) (resid 24 and name HA) 2.449 0.649 1.745 peak 665 weight 1.00000E+00 volume 2.33181E+06 ppm1 8.842 ppm2 4.289
ASSI { 666} (resid 24 and name HB1) (resid 24 and name HN) 2.582 0.695 1.258 peak 666 weight 1.00000E+00 volume 3.49657E+05 ppm1 8.842 ppm2 1.821
ASSI { 659} (resid 25 and name HN) (resid 47 and name HA) 3.389 0.937 0.839 peak 659 weight 1.00000E+00 volume 3.32161E+05 ppm1 8.452 ppm2 4.024
!OR    {  659}   (resid  23  and  name  HA2)    (resid  25  and  name  HN)
ASSI { 653} (resid 25 and name HN) (resid 24 and name HG2) 2.875 0.995 1.288 peak 653 weight 1.00000E+00 volume -7.66763E+03 ppm1 8.455 ppm2 1.198
OR    {  653}   (resid  25  and  name  HN)    (resid  24  and  name  HG1)
ASSI { 654} (resid 25 and name HN) (resid 24 and name HD2) 4.310 1.213 1.431 peak 654 weight 1.00000E+00 volume 7.85665E+04 ppm1 8.452 ppm2 1.359
ASSI { 655} (resid 25 and name HN) (resid 24 and name HB2) 2.200 0.32 1.22 peak 655 weight 1.00000E+00 volume -5.43782E+04 ppm1 8.454 ppm2 1.652
ASSI { 656} (resid 25 and name HN) (resid 24 and name HB1) 2.289 0.389 1.229 peak 656 weight 1.00000E+00 volume 3.50165E+06 ppm1 8.456 ppm2 1.820
ASSI { 658} (resid 25 and name HA2) (resid 25 and name HN) 2.373 0.473 0.237 peak 658 weight 1.00000E+00 volume -3.68076E+04 ppm1 8.451 ppm2 3.434
ASSI { 660} (resid 25 and name HA1) (resid 25 and name HN) 2.503 0.571 0.250 peak 660 weight 1.00000E+00 volume 2.04519E+06 ppm1 8.454 ppm2 4.387
!resid 26 and name HG1
ASSI { 667} (resid 24 and name HG1) (resid 24 and name HN) 2.822 0.767 2.282 peak 667 weight 1.00000E+00 volume 9.96075E+05 ppm1 8.845 ppm2 1.284
ASSI { 641} (resid 26 and name HN) (resid 25 and name HA2) 2.424 0.524 0.242 peak 641 weight 1.00000E+00 volume 2.51000E+05 ppm1 8.237 ppm2 3.396
ASSI { 643} (resid 26 and name HN) (resid 25 and name HA1) 2.149 0.249 2.215 peak 643 weight 1.00000E+00 volume 7.07831E+05 ppm1 8.236 ppm2 4.378
ASSI { 635} (resid 26 and name HN) (resid 26 and name HG2) 2.244 0.444 1.224 peak 635 weight 1.00000E+00 volume 3.85003E+05 ppm1 8.238 ppm2 1.183
ASSI { 637} (resid 26 and name HN) (resid 26 and name HB2) 2.149 0.349 1.215 peak 637 weight 1.00000E+00 volume 2.99812E+05 ppm1 8.235 ppm2 1.742
ASSI { 639} (resid 26 and name HN) (resid 26 and name HE2) 2.975 0.813 1.298 peak 639 weight 1.00000E+00 volume -7.25638E+05 ppm1 8.234 ppm2 2.832
ASSI { 644} (resid 26 and name HN) (resid 26 and name HA) 2.658 0.717 1.766 peak 644 weight 1.00000E+00 volume 1.42850E+06 ppm1 8.236 ppm2 4.913
ASSI { 626} (resid 26 and name HN) (resid 27 and name HN) 3.627 1.008 1.863 peak 626 weight 1.00000E+00 volume 1.47903E+05 ppm1 8.659 ppm2 8.215
ASSI { 638} (resid 26 and name HN) (resid 42 and name HB2) 3.190 0.877 1.319 peak 638 weight 1.00000E+00 volume 4.77744E+05 ppm1 8.237 ppm2 3.025
ASSI { 647} (resid 26 and name HN) (resid 42 and name HD22) 3.371 0.931 0.337 peak 647 weight 1.00000E+00 volume 1.82578E+05 ppm1 8.233 ppm2 7.844
ASSI { 627} (resid 27 and name HN) (resid 26 and name HA) 2.225 0.425 1.723 peak 627 weight 1.00000E+00 volume 7.63480E+05 ppm1 8.662 ppm2 4.925
ASSI { 628} (resid 27 and name HB1) (resid 27 and name HN) 2.481 0.664 1.248 peak 628 weight 1.00000E+00 volume 3.35294E+05 ppm1 8.662 ppm2 1.756
ASSI { 629} (resid 27 and name HN) (resid 27 and name HD1#) 2.941 0.802 3.594 peak 629 weight 1.00000E+00 volume 1.15363E+05 ppm1 8.662 ppm2 1.181
OR    {  629}   (resid  39  and  name  HG1)   (resid  27  and  name  HN)
ASSI { 630} (resid 27 and name HB2) (resid 27 and name HN) 2.713 0.734 1.271 peak 630 weight 1.00000E+00 volume 2.20291E+05 ppm1 8.664 ppm2 1.010
ASSI { 631} (resid 27 and name HG) (resid 27 and name HN) 4.399 1.24 0.440 peak 631 weight 1.00000E+00 volume 2.95202E+04 ppm1 8.664 ppm2 0.373
ASSI { 704} (resid 28 and name HA) (resid 21 and name HD22) 2.681 0.724 1.768 peak 704 weight 1.00000E+00 volume 1.35574E+06 ppm1 7.605 ppm2 4.749
ASSI { 705} (resid 28 and name HA) (resid 21 and name HD21) 2.377 0.497 1.738 peak 705 weight 1.00000E+00 volume 2.79236E+06 ppm1 6.874 ppm2 4.721
ASSI { 624} (resid 28 and name HN) (resid 27 and name HB2) 3.975 1.112 1.397 peak 624 weight 1.00000E+00 volume 6.93061E+04 ppm1 8.483 ppm2 0.926
ASSI { 625} (resid 28 and name HN) (resid 27 and name HG) 3.048 0.835 1.305 peak 625 weight 1.00000E+00 volume 8.45504E+04 ppm1 8.480 ppm2 0.373
ASSI { 618} (resid 28 and name HA) (resid 28 and name HN) 2.029 0.129 1.703 peak 618 weight 1.00000E+00 volume 1.04833E+06 ppm1 8.482 ppm2 4.670
OR    {  618}   (resid  28  and  name  HN)    (resid  27  and  name  HA)
ASSI { 853} (resid 28 and name HN) (resid 28 and name HB2) 2.647 0.714 1.265 peak 853 weight 1.00000E+00 volume 1.46259E+06 ppm1 8.479 ppm2 3.646
ASSI { 854} (resid 28 and name HN) (resid 28 and name HB1) 2.714 0.734 1.271 peak 854 weight 1.00000E+00 volume 1.26104E+06 ppm1 8.481 ppm2 3.484
ASSI { 609} (resid 28 and name HA) (resid 29 and name HN) 2.918 0.795 1.792 peak 609 weight 1.00000E+00 volume 8.15810E+05 ppm1 9.887 ppm2 4.756
ASSI { 623} (resid 28 and name HN) (resid 29 and name HD2#) 2.532 0.652 2.653 peak 623 weight 1.00000E+00 volume 1.91248E+06 ppm1 8.483 ppm2 0.661
ASSI { 611} (resid 29 and name HN) (resid 17 and name HD21) 3.169 0.871 0.317 peak 611 weight 1.00000E+00 volume 1.07919E+05 ppm1 9.877 ppm2 7.452
ASSI { 612} (resid 29 and name HN) (resid 17 and name HD22) 2.771 0.751 0.277 peak 612 weight 1.00000E+00 volume 2.13847E+05 ppm1 9.886 ppm2 7.954
ASSI { 851} (resid 29 and name HN) (resid 28 and name HB2) 3.297 0.909 1.33 peak 851 weight 1.00000E+00 volume 3.92147E+05 ppm1 9.885 ppm2 3.561
ASSI { 603} (resid 29 and name HN) (resid 29 and name HG) 2.851 0.775 0.285 peak 603 weight 1.00000E+00 volume 9.37521E+05 ppm1 9.882 ppm2 1.557
OR    {  603}   (resid  37  and  name  HD1)   (resid  29  and  name  HN)
ASSI { 606} (resid 29 and name HD1#) (resid 29 and name HN) 2.742 0.742 3.574 peak 606 weight 1.00000E+00 volume 2.27077E+05 ppm1 9.883 ppm2 0.748
ASSI { 607} (resid 29 and name HB1) (resid 29 and name HN) 2.812 0.764 1.281 peak 607 weight 1.00000E+00 volume 1.42627E+05 ppm1 9.883 ppm2 1.305
ASSI { 608} (resid 29 and name HB2) (resid 29 and name HN) 2.609 0.703 1.261 peak 608 weight 1.00000E+00 volume 1.59816E+06 ppm1 9.880 ppm2 1.824
ASSI { 610} (resid 29 and name HA) (resid 29 and name HN) 3.125 0.857 1.812 peak 610 weight 1.00000E+00 volume 5.40999E+05 ppm1 9.877 ppm2 5.297
ASSI { 591} (resid 29 and name HD1#) (resid 30 and name HN) 2.699 0.73 2.67 peak 591 weight 1.00000E+00 volume 4.63623E+05 ppm1 9.019 ppm2 0.734
ASSI { 595} (resid 29 and name HB2) (resid 30 and name HN) 3.075 0.843 1.308 peak 595 weight 1.00000E+00 volume 2.38836E+05 ppm1 9.021 ppm2 1.824
ASSI { 539} (resid 29 and name HD1#) (resid 37 and name HN) 4.323 1.217 2.832 peak 539 weight 1.00000E+00 volume 7.70972E+04 ppm1 9.253 ppm2 0.744
ASSI { 598} (resid 30 and name HN) (resid 29 and name HA) 2.036 0.136 1.704 peak 598 weight 1.00000E+00 volume 2.07624E+06 ppm1 9.024 ppm2 5.280
ASSI { 596} (resid 30 and name HB2) (resid 30 and name HN) 2.804 0.761 1.28 peak 596 weight 1.00000E+00 volume 2.31053E+05 ppm1 9.021 ppm2 3.765
ASSI { 597} (resid 30 and name HA) (resid 30 and name HN) 2.675 0.722 1.767 peak 597 weight 1.00000E+00 volume 3.54412E+05 ppm1 9.021 ppm2 4.473
ASSI { 584} (resid 31 and name HN) (resid 30 and name HA) 2.357 0.457 1.736 peak 584 weight 1.00000E+00 volume 2.93673E+06 ppm1 8.410 ppm2 4.506
ASSI { 586} (resid 31 and name HN) (resid 30 and name HB2) 2.468 0.56 1.247 peak 586 weight 1.00000E+00 volume 2.22721E+06 ppm1 8.410 ppm2 3.752
ASSI { 577} (resid 31 and name HA) (resid 32 and name HN) 2.622 0.706 1.762 peak 577 weight 1.00000E+00 volume 3.26009E+05 ppm1 9.124 ppm2 5.384
ASSI { 574} (resid 32 and name HN) (resid 32 and name HB2) 3.516 0.975 1.352 peak 574 weight 1.00000E+00 volume 7.30944E+04 ppm1 9.128 ppm2 2.570
ASSI { 575} (resid 32 and name HN) (resid 32 and name HB1) 3.148 0.864 1.315 peak 575 weight 1.00000E+00 volume 1.09561E+05 ppm1 9.128 ppm2 2.824
ASSI { 576} (resid 32 and name HA) (resid 32 and name HN) 3.221 0.886 1.822 peak 576 weight 1.00000E+00 volume 7.65443E+04 ppm1 9.126 ppm2 4.920
ASSI { 580} (resid 32 and name HD21) (resid 32 and name HD22) 1.800 0.00 0.172 peak 580 weight 1.00000E+00 volume 3.06609E+06 ppm1 6.921 ppm2 7.586
ASSI { 581} (resid 32 and name HD21) (resid 32 and name HD22) 1.800 0.00 0.172 peak 581 weight 1.00000E+00 volume 2.57271E+06 ppm1 7.613 ppm2 6.944
!ASSI { 552} (resid 32 and name HA) (resid 35 and name HN) 3.158 0.947 1.816 peak 552 weight 1.00000E+00 volume 5.07411E+05 ppm1 7.711 ppm2 4.944
ASSI { 958} (resid 33 and name HA2) (resid 33 and name HN) 3.552 0.985 0.355 peak 958 weight 1.00000E+00 volume 2.50909E+05 ppm1 8.873 ppm2 3.659
ASSI { 963} (resid 33 and name HA1) (resid 33 and name HN) 3.336 0.921 0.334 peak 963 weight 1.00000E+00 volume 2.71131E+04 ppm1 8.874 ppm2 4.024
ASSI { 564} (resid 33 and name HA1) (resid 34 and name HD21) 4.774 1.352 0.477 peak 564 weight 1.00000E+00 volume -5.42216E+02 ppm1 6.914 ppm2 3.920
ASSI { 565} (resid 33 and name HA1) (resid 34 and name HD22) 5.674 1.622 0.326 peak 565 weight 1.00000E+00 volume 8.52011E+03 ppm1 7.676 ppm2 3.920
!ASSI { 960} (resid 33 and name HN) (resid 34 and name HA) 2.785 0.835 1.778 peak 960 weight 1.00000E+00 volume 1.07978E+06 ppm1 8.875 ppm2 4.566
ASSI { 560} (resid 34 and name HD21) (resid 34 and name HD22) 2.074 0.274 0.207 peak 560 weight 1.00000E+00 volume 4.52777E+05 ppm1 6.917 ppm2 7.694
ASSI { 561} (resid 34 and name HD21) (resid 34 and name HD22) 2.489 0.667 0.249 peak 561 weight 1.00000E+00 volume 8.65676E+04 ppm1 7.678 ppm2 6.945
ASSI { 562} (resid 34 and name HD22) (resid 34 and name HB2) 3.547 0.984 1.355 peak 562 weight 1.00000E+00 volume 3.81507E+04 ppm1 7.676 ppm2 2.847
ASSI { 563} (resid 34 and name HD21) (resid 34 and name HB2) 3.432 0.95 1.343 peak 563 weight 1.00000E+00 volume 7.10300E+04 ppm1 6.918 ppm2 2.834
!31 and name HB2
ASSI { 550} (resid 35 and name HN) (resid 35 and name HG1) 2.659 0.718 2.266 peak 550 weight 1.00000E+00 volume 1.42608E+06 ppm1 7.708 ppm2 2.187
!ASSI { 585} (resid 35 and name HA) (resid 31 and name HN) 2.434 0.714 1.743 peak 585 weight 1.00000E+00 volume 8.01753E+04 ppm1 8.410 ppm2 4.666
!resid 35 and name HB1
!ASSI { 587} (resid 13 and name HB) (resid 31 and name HN) 2.880 0.864 1.288 peak 587 weight 1.00000E+00 volume 4.60090E+04 ppm1 8.403 ppm2 2.069
ASSI { 573} (resid 35 and name HB1) (resid 32 and name HN) 3.428 0.948 1.343 peak 573 weight 1.00000E+00 volume 4.59095E+04 ppm1 9.129 ppm2 2.106
ASSI { 549} (resid 35 and name HN) (resid 35 and name HB2) 2.597 0.699 1.26 peak 549 weight 1.00000E+00 volume 1.64305E+06 ppm1 7.709 ppm2 2.013
ASSI { 553} (resid 35 and name HN) (resid 35 and name HA) 3.127 0.858 1.813 peak 553 weight 1.00000E+00 volume -1.61649E+04 ppm1 7.710 ppm2 4.654
ASSI { 554} (resid 35 and name HE21) (resid 35 and name HE22) 1.800 0.00 0.172 peak 554 weight 1.00000E+00 volume 1.70004E+06 ppm1 7.612 ppm2 6.787
ASSI { 555} (resid 35 and name HE21) (resid 35 and name HE22) 1.816 0.016 0.182 peak 555 weight 1.00000E+00 volume 1.40326E+07 ppm1 6.780 ppm2 7.587
ASSI { 556} (resid 35 and name HA) (resid 35 and name HE22) 2.826 0.768 1.783 peak 556 weight 1.00000E+00 volume 9.87601E+05 ppm1 6.769 ppm2 4.665
ASSI { 557} (resid 35 and name HG2) (resid 35 and name HE22) 4.329 1.219 1.433 peak 557 weight 1.00000E+00 volume 7.64645E+04 ppm1 6.771 ppm2 2.282
ASSI { 558} (resid 35 and name HG2) (resid 35 and name HE21) 4.736 1.341 1.474 peak 558 weight 1.00000E+00 volume 2.85834E+04 ppm1 7.615 ppm2 2.282
!changed to 2# methyl
ASSI { 592} (resid 36 and name HD2#) (resid 30 and name HN) 2.772 0.752 2.677 peak 592 weight 1.00000E+00 volume 1.10957E+06 ppm1 9.019 ppm2 0.920
ASSI { 600} (resid 36 and name HA) (resid 30 and name HN) 4.111 1.153 1.911 peak 600 weight 1.00000E+00 volume 1.32051E+05 ppm1 9.020 ppm2 4.747
!ASSI { 588} (resid 36 and name HB2) (resid 31 and name HN) 2.684 0.805 1.268 peak 588 weight 1.00000E+00 volume 5.56311E+04 ppm1 8.405 ppm2 1.862
!ASSI { 546} (resid 36 and name HN) (resid 32 and name HA) 2.110 0.390 1.711 peak 546 weight 1.00000E+00 volume 5.71272E+06 ppm1 8.532 ppm2 4.942
!ASSI { 572} (resid 36 and name HB2) (resid 32 and name HN) 3.516 1.055 1.352 peak 572 weight 1.00000E+00 volume 3.11263E+04 ppm1 9.130 ppm2 1.829
ASSI { 545} (resid 36 and name HN) (resid 35 and name HG2) 2.823 0.767 1.500 peak 545 weight 1.00000E+00 volume 9.93881E+05 ppm1 8.538 ppm2 2.287
ASSI { 540} (resid 36 and name HN) (resid 36 and name HG) 2.581 0.694 2.758 peak 540 weight 1.00000E+00 volume 5.80883E+03 ppm1 8.536 ppm2 0.823
ASSI { 541} (resid 36 and name HD2#) (resid 36 and name HN) 2.514 0.674 2.651 peak 541 weight 1.00000E+00 volume 1.99528E+06 ppm1 8.536 ppm2 1.163
ASSI { 544} (resid 36 and name HN) (resid 36 and name HB2) 2.304 0.504 1.23 peak 544 weight 1.00000E+00 volume 3.36852E+06 ppm1 8.533 ppm2 1.836
!resid 37 and name HG2
ASSI { 593} (resid 29 and name HB1) (resid 30 and name HN) 2.634 0.71 1.263 peak 593 weight 1.00000E+00 volume 1.50879E+06 ppm1 9.020 ppm2 1.290
ASSI { 594} (resid 37 and name HD1) (resid 30 and name HN) 3.486 0.966 1.349 peak 594 weight 1.00000E+00 volume 1.17474E+05 ppm1 9.020 ppm2 1.561
OR    {  594}   (resid  37  and  name  HB1)   (resid  30  and  name  HN)
ASSI { 849} (resid 37 and name HN) (resid 30 and name HN) 2.476 0.563 1.748 peak 849 weight 1.00000E+00 volume 1.82056E+05 ppm1 9.018 ppm2 9.214
ASSI { 533} (resid 37 and name HN) (resid 31 and name HA) 3.515 0.975 1.852 peak 533 weight 1.00000E+00 volume 7.52587E+04 ppm1 9.255 ppm2 5.373
ASSI { 571} (resid 37 and name HG1) (resid 32 and name HN) 3.680 1.024 1.368 peak 571 weight 1.00000E+00 volume 2.69182E+04 ppm1 9.130 ppm2 1.251
ASSI { 538} (resid 37 and name HN) (resid 36 and name HD1#) 2.935 0.8 2.693 peak 538 weight 1.00000E+00 volume 7.88145E+05 ppm1 9.252 ppm2 0.934
ASSI { 534} (resid 37 and name HA) (resid 37 and name HN) 2.437 0.637 1.744 peak 534 weight 1.00000E+00 volume 2.40073E+06 ppm1 9.255 ppm2 4.799
ASSI { 535} (resid 37 and name HN) (resid 37 and name HB2) 2.963 0.809 1.296 peak 535 weight 1.00000E+00 volume 7.43647E+05 ppm1 9.256 ppm2 1.753
ASSI { 536} (resid 37 and name HD2) (resid 37 and name HN) 3.050 0.835 1.305 peak 536 weight 1.00000E+00 volume 6.25665E+05 ppm1 9.258 ppm2 1.563
ASSI { 537} (resid 37 and name HN) (resid 37 and name HG2) 3.358 0.927 1.336 peak 537 weight 1.00000E+00 volume 3.51073E+05 ppm1 9.255 ppm2 1.378
ASSI { 527} (resid 38 and name HN) (resid 29 and name HB2) 2.993 0.818 2.299 peak 527 weight 1.00000E+00 volume 1.02728E+05 ppm1 9.451 ppm2 1.743
ASSI { 526} (resid 38 and name HN) (resid 37 and name HA) 2.352 0.552 1.735 peak 526 weight 1.00000E+00 volume 5.92565E+05 ppm1 9.453 ppm2 4.830
ASSI { 528} (resid 38 and name HN) (resid 37 and name HD2) 3.427 0.948 1.343 peak 528 weight 1.00000E+00 volume 3.10964E+05 ppm1 9.454 ppm2 1.594
ASSI { 525} (resid 38 and name HA) (resid 38 and name HN) 3.531 0.979 1.853 peak 525 weight 1.00000E+00 volume 2.59771E+05 ppm1 9.454 ppm2 5.380
ASSI { 530} (resid 38 and name HB#) (resid 38 and name HN) 2.781 0.754 1.778 peak 530 weight 1.00000E+00 volume 2.01793E+05 ppm1 9.452 ppm2 1.106
ASSI { 138} (resid 38 and name HB#) (resid 80 and name HD22) 3.384 0.935 1.838 peak 138 weight 1.00000E+00 volume 6.41461E+04 ppm1 7.217 ppm2 1.119
ASSI { 139} (resid 38 and name HB#) (resid 80 and name HD21) 3.297 0.909 1.83 peak 139 weight 1.00000E+00 volume 3.92339E+05 ppm1 7.818 ppm2 1.136
ASSI { 510} (resid 39 and name HN) (resid 28 and name HN) 2.604 0.701 1.76 peak 510 weight 1.00000E+00 volume 1.61398E+06 ppm1 8.860 ppm2 8.493
ASSI { 969} (resid 39 and name HG2#) (resid 28 and name HN) 2.538 0.658 1.754 peak 969 weight 1.00000E+00 volume 2.64022E+05 ppm1 8.482 ppm2 1.180
OR    {  969}   (resid  28  and  name  HN)    (resid  39  and  name  HG1)
ASSI { 514} (resid 39 and name HN) (resid 29 and name HD1#) 3.070 0.841 2.707 peak 514 weight 1.00000E+00 volume 6.00855E+05 ppm1 8.853 ppm2 0.733
ASSI { 506} (resid 39 and name HN) (resid 38 and name HA) 1.985 0.085 1.699 peak 506 weight 1.00000E+00 volume 4.00278E+05 ppm1 8.855 ppm2 5.384
ASSI { 507} (resid 39 and name HA) (resid 39 and name HN) 2.857 0.777 1.786 peak 507 weight 1.00000E+00 volume 9.25298E+05 ppm1 8.853 ppm2 4.572
ASSI { 508} (resid 39 and name HB) (resid 39 and name HN) 2.880 0.784 1.288 peak 508 weight 1.00000E+00 volume 8.81951E+05 ppm1 8.855 ppm2 4.119
ASSI { 513} (resid 39 and name HN) (resid 39 and name HG1) 2.339 0.459 0.234 peak 513 weight 1.00000E+00 volume 3.07708E+06 ppm1 8.856 ppm2 1.169
!resid 28 and name HA
ASSI { 502} (resid 40 and name HN) (resid 41 and name HA) 2.807 0.762 1.781 peak 502 weight 1.00000E+00 volume -3.83099E+04 ppm1 8.484 ppm2 4.733
ASSI { 501} (resid 40 and name HN) (resid 39 and name HA) 2.330 0.45 1.733 peak 501 weight 1.00000E+00 volume 1.40495E+03 ppm1 8.485 ppm2 4.569
ASSI { 503} (resid 40 and name HN) (resid 39 and name HB) 2.892 0.788 0.289 peak 503 weight 1.00000E+00 volume 1.77468E+04 ppm1 8.485 ppm2 4.110
ASSI { 505} (resid 40 and name HN) (resid 39 and name HG2#) 2.971 0.811 1.797 peak 505 weight 1.00000E+00 volume 6.80367E+04 ppm1 8.485 ppm2 1.187
ASSI { 500} (resid 40 and name HA) (resid 40 and name HN) 3.438 0.951 1.844 peak 500 weight 1.00000E+00 volume 3.04856E+05 ppm1 8.485 ppm2 5.573
ASSI { 504} (resid 40 and name HN) (resid 40 and name HB2) 3.027 0.828 1.303 peak 504 weight 1.00000E+00 volume 2.67652E+04 ppm1 8.484 ppm2 3.651
ASSI { 494} (resid 41 and name HN) (resid 26 and name HN) 2.780 0.754 1.778 peak 494 weight 1.00000E+00 volume 1.09010E+06 ppm1 8.573 ppm2 8.144
!resid 26 and name HG2
ASSI { 498} (resid 41 and name HN) (resid 27 and name HD2#) 2.732 0.74 3.273 peak 498 weight 1.00000E+00 volume 1.21006E+06 ppm1 8.576 ppm2 1.184
!resid 26 and name HB2
ASSI { 499} (resid 41 and name HN) (resid 27 and name HB2) 2.710 0.733 2.271 peak 499 weight 1.00000E+00 volume 1.27035E+06 ppm1 8.572 ppm2 1.751
ASSI { 495} (resid 41 and name HN) (resid 40 and name HA) 2.174 0.374 1.717 peak 495 weight 1.00000E+00 volume 4.23256E+05 ppm1 8.575 ppm2 5.566
ASSI { 496} (resid 41 and name HN) (resid 41 and name HA) 2.692 0.728 1.769 peak 496 weight 1.00000E+00 volume 1.20059E+05 ppm1 8.573 ppm2 4.658
ASSI { 497} (resid 41 and name HN) (resid 41 and name HB2) 2.262 0.462 1.226 peak 497 weight 1.00000E+00 volume 1.77870E+05 ppm1 8.575 ppm2 3.725
ASSI { 515} (resid 42 and name HD21) (resid 42 and name HD22) 1.816 0.016 0.182 peak 515 weight 1.00000E+00 volume 2.23943E+06 ppm1 6.960 ppm2 7.779
ASSI { 516} (resid 42 and name HD21) (resid 42 and name HD22) 1.882 0.00 0.178 peak 516 weight 1.00000E+00 volume 1.60822E+06 ppm1 7.766 ppm2 6.958
ASSI { 866} (resid 43 and name HN) (resid 41 and name HA) 2.804 0.761 1.78 peak 866 weight 1.00000E+00 volume 6.96948E+04 ppm1 7.794 ppm2 4.669
ASSI { 481} (resid 43 and name HN) (resid 42 and name HA) 2.239 0.439 1.724 peak 481 weight 1.00000E+00 volume -9.28519E+04 ppm1 7.797 ppm2 4.457
ASSI { 482} (resid 43 and name HA) (resid 43 and name HN) 2.463 0.659 1.746 peak 482 weight 1.00000E+00 volume -1.28994E+04 ppm1 7.794 ppm2 3.924
ASSI { 487} (resid 43 and name HB#) (resid 43 and name HN) 2.115 0.315 1.712 peak 487 weight 1.00000E+00 volume 5.62298E+06 ppm1 7.793 ppm2 1.292
ASSI { 476} (resid 44 and name HN) (resid 43 and name HA) 3.745 1.044 1.875 peak 476 weight 1.00000E+00 volume 1.82371E+05 ppm1 8.612 ppm2 3.928
ASSI { 478} (resid 44 and name HN) (resid 43 and name HB#) 2.920 0.796 1.792 peak 478 weight 1.00000E+00 volume 8.11533E+05 ppm1 8.610 ppm2 1.296
ASSI { 479} (resid 44 and name HN) (resid 43 and name HN) 3.078 0.843 1.808 peak 479 weight 1.00000E+00 volume -5.92100E+05 ppm1 7.797 ppm2 8.584
ASSI { 473} (resid 44 and name HN) (resid 44 and name HA1) 2.576 0.693 0.258 peak 473 weight 1.00000E+00 volume 1.72148E+06 ppm1 8.611 ppm2 4.127
ASSI { 477} (resid 44 and name HN) (resid 44 and name HA2) 2.400 0.6 0.240 peak 477 weight 1.00000E+00 volume 1.16625E+04 ppm1 8.611 ppm2 3.479
ASSI { 955} (resid 45 and name HN) (resid 24 and name HG1) 2.646 0.714 2.265 peak 955 weight 1.00000E+00 volume 1.91740E+04 ppm1 7.944 ppm2 1.198
OR    {  955}   (resid  45  and  name  HN)    (resid  24  and  name  HG2)
ASSI { 657} (resid 45 and name HB2) (resid 25 and name HN) 3.135 0.86 1.313 peak 657 weight 1.00000E+00 volume 5.30628E+05 ppm1 8.453 ppm2 2.834
ASSI { 465} (resid 45 and name HN) (resid 44 and name HN) 2.678 0.723 1.768 peak 465 weight 1.00000E+00 volume 1.36617E+06 ppm1 7.953 ppm2 8.576
ASSI { 467} (resid 45 and name HN) (resid 44 and name HA2) 2.561 0.688 0.256 peak 467 weight 1.00000E+00 volume 1.78319E+06 ppm1 7.950 ppm2 3.483
ASSI { 471} (resid 45 and name HN) (resid 44 and name HN) 2.615 0.705 1.762 peak 471 weight 1.00000E+00 volume -6.09528E+03 ppm1 8.611 ppm2 7.932
ASSI { 466} (resid 45 and name HN) (resid 45 and name HD#) 2.587 0.696 2.659 peak 466 weight 1.00000E+00 volume 1.44596E+05 ppm1 7.953 ppm2 7.121
ASSI { 468} (resid 45 and name HN) (resid 45 and name HB2) 2.274 0.474 1.227 peak 468 weight 1.00000E+00 volume 2.93136E+05 ppm1 7.951 ppm2 2.840
ASSI { 953} (resid 45 and name HN) (resid 45 and name HA) 2.859 0.778 1.786 peak 953 weight 1.00000E+00 volume 8.08874E+04 ppm1 7.946 ppm2 4.900
ASSI { 954} (resid 45 and name HN) (resid 45 and name HB1) 2.566 0.69 1.257 peak 954 weight 1.00000E+00 volume 1.49524E+05 ppm1 7.952 ppm2 3.302
ASSI { 863} (resid 45 and name HB1) (resid 46 and name HN) 2.603 0.701 1.26 peak 863 weight 1.00000E+00 volume 1.61823E+06 ppm1 8.575 ppm2 3.295
ASSI { 864} (resid 45 and name HB2) (resid 46 and name HN) 3.120 0.856 1.312 peak 864 weight 1.00000E+00 volume 5.45609E+05 ppm1 8.578 ppm2 2.846
ASSI { 861} (resid 46 and name HA2) (resid 46 and name HN) 2.071 0.271 1.207 peak 861 weight 1.00000E+00 volume 6.38039E+06 ppm1 8.573 ppm2 4.897
ASSI { 862} (resid 46 and name HA1) (resid 46 and name HN) 2.368 0.568 0.237 peak 862 weight 1.00000E+00 volume 2.85894E+06 ppm1 8.578 ppm2 3.577
ASSI { 455} (resid 46 and name HA1) (resid 47 and name HN) 2.436 0.636 0.244 peak 455 weight 1.00000E+00 volume 3.83519E+05 ppm1 8.307 ppm2 3.590
ASSI { 458} (resid 46 and name HA2) (resid 47 and name HN) 2.351 0.551 0.235 peak 458 weight 1.00000E+00 volume 2.97809E+06 ppm1 8.307 ppm2 4.988
ASSI { 652} (resid 47 and name HD1#) (resid 25 and name HN) 3.826 1.068 1.883 peak 652 weight 1.00000E+00 volume 1.56950E+03 ppm1 8.458 ppm2 1.013
ASSI { 451} (resid 47 and name HN) (resid 47 and name HD1#) 2.435 0.635 1.743 peak 451 weight 1.00000E+00 volume 2.41712E+06 ppm1 8.306 ppm2 1.015
ASSI { 452} (resid 47 and name HG12) (resid 47 and name HN) 2.446 0.646 1.245 peak 452 weight 1.00000E+00 volume 2.35013E+06 ppm1 8.309 ppm2 1.192
ASSI { 453} (resid 47 and name HG11) (resid 47 and name HN) 2.394 0.594 1.239 peak 453 weight 1.00000E+00 volume 2.67621E+06 ppm1 8.308 ppm2 1.748
ASSI { 454} (resid 47 and name HB) (resid 47 and name HN) 2.318 0.518 0.232 peak 454 weight 1.00000E+00 volume 5.94209E+05 ppm1 8.307 ppm2 2.188
ASSI { 456} (resid 47 and name HN) (resid 47 and name HA) 2.882 0.785 1.788 peak 456 weight 1.00000E+00 volume 8.79083E+05 ppm1 8.306 ppm2 4.021
ASSI { 440} (resid 48 and name HN) (resid 47 and name HG12) 2.605 0.701 1.26 peak 440 weight 1.00000E+00 volume 1.61228E+06 ppm1 8.301 ppm2 1.120
ASSI { 441} (resid 48 and name HN) (resid 47 and name HG11) 2.883 0.785 1.288 peak 441 weight 1.00000E+00 volume 8.76147E+05 ppm1 8.300 ppm2 1.741
ASSI { 442} (resid 48 and name HN) (resid 47 and name HB) 2.318 0.518 0.232 peak 442 weight 1.00000E+00 volume 3.24471E+06 ppm1 8.300 ppm2 2.182
ASSI { 445} (resid 48 and name HB2) (resid 48 and name HN) 2.718 0.735 1.272 peak 445 weight 1.00000E+00 volume 1.24871E+06 ppm1 8.301 ppm2 4.014
ASSI { 446} (resid 48 and name HB1) (resid 48 and name HN) 2.900 0.79 1.29 peak 446 weight 1.00000E+00 volume 8.46156E+05 ppm1 8.301 ppm2 4.207
ASSI { 447} (resid 48 and name HN) (resid 48 and name HA) 2.443 0.643 1.744 peak 447 weight 1.00000E+00 volume 2.36868E+06 ppm1 8.301 ppm2 4.394
ASSI { 435} (resid 49 and name HN) (resid 48 and name HB2) 2.565 0.689 1.256 peak 435 weight 1.00000E+00 volume 1.76921E+06 ppm1 8.355 ppm2 3.955
ASSI { 436} (resid 49 and name HN) (resid 48 and name HB1) 2.220 0.42 1.222 peak 436 weight 1.00000E+00 volume 4.20431E+06 ppm1 8.354 ppm2 4.294
ASSI { 434} (resid 49 and name HB2) (resid 49 and name HN) 2.604 0.701 1.26 peak 434 weight 1.00000E+00 volume 1.61422E+06 ppm1 8.356 ppm2 2.885
ASSI { 439} (resid 49 and name HB1) (resid 49 and name HN) 2.756 0.747 1.276 peak 439 weight 1.00000E+00 volume 1.14969E+06 ppm1 8.358 ppm2 3.554
ASSI { 428} (resid 50 and name HN) (resid 49 and name HB2) 4.397 1.239 1.44 peak 428 weight 1.00000E+00 volume -6.96373E+04 ppm1 9.030 ppm2 2.918
ASSI { 432} (resid 50 and name HN) (resid 49 and name HN) 2.348 0.548 1.735 peak 432 weight 1.00000E+00 volume 5.15751E+05 ppm1 9.030 ppm2 8.357
ASSI { 438} (resid 50 and name HN) (resid 49 and name HN) 2.660 0.718 1.766 peak 438 weight 1.00000E+00 volume 1.42168E+06 ppm1 8.359 ppm2 9.032
ASSI { 426} (resid 50 and name HB2) (resid 50 and name HN) 2.152 0.352 1.215 peak 426 weight 1.00000E+00 volume 1.03246E+06 ppm1 9.032 ppm2 1.923
OR    {  426}   (resid  50  and  name  HB1)   (resid  50  and  name  HN)
ASSI { 427} (resid 50 and name HN) (resid 50 and name HG2) 2.433 0.633 1.243 peak 427 weight 1.00000E+00 volume 3.68569E+05 ppm1 9.032 ppm2 2.281
ASSI { 430} (resid 50 and name HA) (resid 50 and name HN) 2.359 0.559 1.736 peak 430 weight 1.00000E+00 volume 5.77031E+05 ppm1 9.032 ppm2 4.312
ASSI { 422} (resid 51 and name HN) (resid 50 and name HA) 1.900 0.1 1.69 peak 422 weight 1.00000E+00 volume 1.07052E+07 ppm1 8.349 ppm2 4.336
ASSI { 424} (resid 51 and name HN) (resid 50 and name HB2) 2.270 0.47 1.227 peak 424 weight 1.00000E+00 volume 3.67676E+06 ppm1 8.346 ppm2 1.936
ASSI { 847} (resid 51 and name HN) (resid 50 and name HG1) 2.590 0.697 1.259 peak 847 weight 1.00000E+00 volume 2.57057E+05 ppm1 8.348 ppm2 2.203
ASSI { 421} (resid 51 and name HA) (resid 51 and name HN) 2.587 0.696 1.759 peak 421 weight 1.00000E+00 volume 1.01031E+04 ppm1 8.348 ppm2 4.817
ASSI { 423} (resid 51 and name HB1) (resid 51 and name HN) 2.213 0.413 1.221 peak 423 weight 1.00000E+00 volume 2.50038E+04 ppm1 8.350 ppm2 2.985
ASSI { 417} (resid 52 and name HN) (resid 51 and name HB1) 3.229 0.889 1.323 peak 417 weight 1.00000E+00 volume 4.44592E+05 ppm1 7.594 ppm2 2.920
OR    {  417}   (resid  52  and  name  HN)    (resid  68  and  name  HG2)
ASSI { 419} (resid 52 and name HN) (resid 51 and name HA) 1.985 0.100 1.699 peak 419 weight 1.00000E+00 volume 7.73427E+05 ppm1 7.592 ppm2 4.819
ASSI { 412} (resid 52 and name HN) (resid 52 and name HG2) 2.822 0.767 1.282 peak 412 weight 1.00000E+00 volume 1.06976E+05 ppm1 7.590 ppm2 1.185
ASSI { 413} (resid 52 and name HN) (resid 52 and name HB1) 2.306 0.506 1.231 peak 413 weight 1.00000E+00 volume 2.71724E+05 ppm1 7.591 ppm2 1.465
ASSI { 414} (resid 52 and name HN) (resid 52 and name HD2) 2.479 0.479 1.248 peak 414 weight 1.00000E+00 volume 1.72651E+05 ppm1 7.591 ppm2 1.603
ASSI { 418} (resid 52 and name HN) (resid 52 and name HA) 2.589 0.697 1.759 peak 418 weight 1.00000E+00 volume 1.67166E+06 ppm1 7.591 ppm2 4.392
ASSI { 399} (resid 52 and name HN) (resid 53 and name HN) 2.941 0.802 1.794 peak 399 weight 1.00000E+00 volume -1.40804E+04 ppm1 8.804 ppm2 7.646
ASSI { 420} (resid 52 and name HN) (resid 53 and name HD21) 2.998 0.819 0.300 peak 420 weight 1.00000E+00 volume 1.40079E+05 ppm1 7.590 ppm2 7.196
ASSI { 415} (resid 52 and name HN) (resid 68 and name HB1) 2.614 0.704 1.261 peak 415 weight 1.00000E+00 volume 1.56286E+05 ppm1 7.593 ppm2 2.463
OR    {  415}   (resid  52  and  name  HN)    (resid  51  and  name  HB2)
ASSI { 401} (resid 53 and name HN) (resid 52 and name HA) 1.891 0.091 1.689 peak 401 weight 1.00000E+00 volume 1.65200E+05 ppm1 8.804 ppm2 4.487
ASSI { 404} (resid 53 and name HN) (resid 52 and name HB2) 2.501 0.67 1.25 peak 404 weight 1.00000E+00 volume 2.05926E+06 ppm1 8.803 ppm2 1.565
ASSI { 405} (resid 53 and name HN) (resid 52 and name HG2) 2.779 0.754 2.278 peak 405 weight 1.00000E+00 volume 7.00609E+04 ppm1 8.804 ppm2 1.200
ASSI { 402} (resid 53 and name HN) (resid 53 and name HB2) 2.449 0.649 1.245 peak 402 weight 1.00000E+00 volume 8.59526E+04 ppm1 8.801 ppm2 2.556
ASSI { 403} (resid 53 and name HN) (resid 53 and name HB1) 2.688 0.726 1.269 peak 403 weight 1.00000E+00 volume 5.67363E+04 ppm1 8.803 ppm2 2.115
ASSI { 406} (resid 53 and name HD21) (resid 53 and name HD22) 2.204 0.404 0.220 peak 406 weight 1.00000E+00 volume 7.85490E+05 ppm1 7.187 ppm2 8.034
ASSI { 407} (resid 53 and name HD21) (resid 53 and name HD22) 2.169 0.369 0.217 peak 407 weight 1.00000E+00 volume 1.01413E+06 ppm1 8.067 ppm2 7.209
ASSI { 844} (resid 53 and name HN) (resid 53 and name HA) 2.945 0.804 1.795 peak 844 weight 1.00000E+00 volume 2.98106E+04 ppm1 8.802 ppm2 5.666
ASSI { 949} (resid 54 and name HN) (resid 53 and name HB2) 3.322 0.917 1.332 peak 949 weight 1.00000E+00 volume 3.74690E+05 ppm1 9.219 ppm2 2.570
ASSI { 951} (resid 54 and name HN) (resid 53 and name HB1) 2.414 0.614 1.241 peak 951 weight 1.00000E+00 volume 2.54364E+06 ppm1 9.217 ppm2 2.114
ASSI { 397} (resid 54 and name HD1) (resid 54 and name HN) 3.011 0.823 1.301 peak 397 weight 1.00000E+00 volume 5.35467E+04 ppm1 9.214 ppm2 6.669
ASSI { 947} (resid 54 and name HN) (resid 54 and name HA) 2.949 0.805 1.795 peak 947 weight 1.00000E+00 volume 7.65451E+05 ppm1 9.208 ppm2 4.720
ASSI { 952} (resid 54 and name HN) (resid 54 and name HB1) 2.275 0.475 1.227 peak 952 weight 1.00000E+00 volume 6.78825E+05 ppm1 9.213 ppm2 0.935
ASSI { 935} (resid 54 and name HN) (resid 55 and name HN) 5.189 1.477 2.019 peak 935 weight 1.00000E+00 volume -2.57799E+04 ppm1 9.562 ppm2 9.299
ASSI { 940} (resid 54 and name HA) (resid 55 and name HN) 2.438 0.638 1.744 peak 940 weight 1.00000E+00 volume 4.39382E+05 ppm1 9.561 ppm2 4.680
ASSI { 943} (resid 55 and name HN) (resid 54 and name HB2) 3.131 0.859 1.313 peak 943 weight 1.00000E+00 volume 5.34385E+05 ppm1 9.560 ppm2 2.287
ASSI { 939} (resid 55 and name HA1) (resid 55 and name HN) 2.981 0.814 0.298 peak 939 weight 1.00000E+00 volume 1.57565E+05 ppm1 9.561 ppm2 5.147
ASSI { 942} (resid 55 and name HA2) (resid 55 and name HN) 2.647 0.714 0.265 peak 942 weight 1.00000E+00 volume 2.78537E+05 ppm1 9.561 ppm2 3.263
ASSI { 377} (resid 55 and name HA1) (resid 56 and name HN) 2.284 0.484 0.228 peak 377 weight 1.00000E+00 volume 3.54649E+06 ppm1 8.676 ppm2 5.168
ASSI { 379} (resid 55 and name HA2) (resid 56 and name HN) 2.570 0.691 0.257 peak 379 weight 1.00000E+00 volume -2.50136E+04 ppm1 8.675 ppm2 3.274
ASSI { 938} (resid 55 and name HN) (resid 57 and name HE#) 2.862 0.779 2.686 peak 938 weight 1.00000E+00 volume 9.16654E+05 ppm1 9.561 ppm2 7.211
ASSI { 937} (resid 56 and name HN) (resid 55 and name HN) 3.607 1.002 1.861 peak 937 weight 1.00000E+00 volume 2.28525E+05 ppm1 9.560 ppm2 8.748
ASSI { 378} (resid 56 and name HA) (resid 56 and name HN) 3.493 0.968 1.849 peak 378 weight 1.00000E+00 volume -4.53087E+04 ppm1 8.675 ppm2 4.913
ASSI { 380} (resid 56 and name HG11) (resid 56 and name HN) 2.459 0.658 1.246 peak 380 weight 1.00000E+00 volume 1.59518E+04 ppm1 8.675 ppm2 1.920
ASSI { 381} (resid 56 and name HG12) (resid 56 and name HN) 3.302 0.911 1.33 peak 381 weight 1.00000E+00 volume -2.44610E+04 ppm1 8.678 ppm2 1.275
ASSI { 382} (resid 56 and name HD1#) (resid 56 and name HN) 2.580 0.694 1.758 peak 382 weight 1.00000E+00 volume -7.32519E+03 ppm1 8.673 ppm2 0.923
ASSI { 927} (resid 56 and name HG12) (resid 57 and name HN) 3.719 1.036 1.372 peak 927 weight 1.00000E+00 volume -1.13644E+04 ppm1 9.754 ppm2 1.274
ASSI { 931} (resid 56 and name HA) (resid 57 and name HN) 2.592 0.698 1.759 peak 931 weight 1.00000E+00 volume -3.04978E+04 ppm1 9.753 ppm2 4.849
ASSI { 900} (resid 56 and name HD1#) (resid 64 and name HN) 2.227 0.427 1.723 peak 900 weight 1.00000E+00 volume 7.06213E+05 ppm1 7.404 ppm2 0.915
!resid 56 and name HG11
ASSI { 901} (resid 56 and name HB) (resid 64 and name HN) 2.743 0.743 1.274 peak 901 weight 1.00000E+00 volume 2.25945E+05 ppm1 7.404 ppm2 1.920
ASSI { 41} (resid 56 and name HA) (resid 90 and name HN) 2.758 0.747 1.776 peak 41 weight 1.00000E+00 volume 1.14363E+06 ppm1 9.491 ppm2 4.822
ASSI { 929} (resid 57 and name HB2) (resid 57 and name HN) 3.694 1.028 1.369 peak 929 weight 1.00000E+00 volume 1.98124E+05 ppm1 9.753 ppm2 2.567
ASSI { 930} (resid 57 and name HB1) (resid 57 and name HN) 3.097 0.849 1.31 peak 930 weight 1.00000E+00 volume 5.70957E+05 ppm1 9.752 ppm2 3.206
ASSI { 932} (resid 57 and name HN) (resid 57 and name HD#) 2.961 0.808 2.696 peak 932 weight 1.00000E+00 volume -2.20629E+04 ppm1 9.751 ppm2 7.111
ASSI { 925} (resid 57 and name HA) (resid 58 and name HN) 2.295 0.495 1.73 peak 925 weight 1.00000E+00 volume 3.44217E+06 ppm1 9.202 ppm2 5.462
ASSI { 926} (resid 57 and name HN) (resid 89 and name HG2#) 2.827 0.768 1.783 peak 926 weight 1.00000E+00 volume 9.86713E+05 ppm1 9.754 ppm2 0.847
ASSI { 933} (resid 58 and name HN) (resid 57 and name HN) 3.166 0.87 1.817 peak 933 weight 1.00000E+00 volume 4.99904E+05 ppm1 9.749 ppm2 9.287
ASSI { 919} (resid 58 and name HN) (resid 59 and name HN) 2.724 0.737 1.772 peak 919 weight 1.00000E+00 volume 1.16360E+05 ppm1 9.693 ppm2 9.220
ASSI { 921} (resid 58 and name HA) (resid 59 and name HN) 2.308 0.508 1.731 peak 921 weight 1.00000E+00 volume 3.33163E+06 ppm1 9.690 ppm2 4.745
ASSI { 924} (resid 58 and name HN) (resid 61 and name HN) 3.058 0.837 1.806 peak 924 weight 1.00000E+00 volume 6.16216E+05 ppm1 9.202 ppm2 8.029
!resid 58 and name HA
ASSI { 327} (resid 61 and name HA) (resid 62 and name HN) 2.523 0.677 1.752 peak 327 weight 1.00000E+00 volume 3.50540E+05 ppm1 8.925 ppm2 4.752
ASSI { 923} (resid 59 and name HN) (resid 58 and name HG1#) 2.784 0.755 1.278 peak 923 weight 1.00000E+00 volume 8.78001E+04 ppm1 9.690 ppm2 0.989
OR    {  923}   (resid  59  and  name  HN)    (resid  58  and  name  HG2#)
ASSI { 914} (resid 59 and name HB1) (resid 60 and name HN) 3.370 0.931 1.337 peak 914 weight 1.00000E+00 volume 7.41431E+04 ppm1 9.259 ppm2 3.286
ASSI { 922} (resid 59 and name HN) (resid 88 and name HB2) 2.922 0.796 1.292 peak 922 weight 1.00000E+00 volume 8.09603E+05 ppm1 9.691 ppm2 3.063
ASSI { 913} (resid 60 and name HN) (resid 57 and name HB2) 3.536 0.981 1.354 peak 913 weight 1.00000E+00 volume 9.25296E+04 ppm1 9.264 ppm2 2.567
ASSI { 917} (resid 60 and name HN) (resid 59 and name HA) 2.593 0.698 1.759 peak 917 weight 1.00000E+00 volume 1.65502E+06 ppm1 9.267 ppm2 4.437
ASSI { 915} (resid 60 and name HA1) (resid 60 and name HN) 2.457 0.657 0.246 peak 915 weight 1.00000E+00 volume 3.32376E+05 ppm1 9.264 ppm2 3.712
ASSI { 916} (resid 60 and name HA2) (resid 60 and name HN) 2.790 0.757 0.279 peak 916 weight 1.00000E+00 volume 1.06795E+06 ppm1 9.266 ppm2 4.310
ASSI { 910} (resid 61 and name HN) (resid 60 and name HA2) 2.324 0.524 0.232 peak 910 weight 1.00000E+00 volume 4.55102E+05 ppm1 8.008 ppm2 4.296
ASSI { 911} (resid 61 and name HN) (resid 60 and name HN) 2.979 0.814 1.798 peak 911 weight 1.00000E+00 volume 1.97744E+05 ppm1 8.004 ppm2 9.231
ASSI { 918} (resid 61 and name HN) (resid 60 and name HN) 2.884 0.785 1.788 peak 918 weight 1.00000E+00 volume 8.75581E+05 ppm1 9.261 ppm2 7.944
ASSI { 907} (resid 61 and name HB2) (resid 61 and name HN) 2.148 0.348 1.215 peak 907 weight 1.00000E+00 volume 5.12679E+06 ppm1 8.002 ppm2 2.106
ASSI { 908} (resid 61 and name HB1) (resid 61 and name HN) 2.399 0.599 1.24 peak 908 weight 1.00000E+00 volume 3.35756E+05 ppm1 8.008 ppm2 1.933
ASSI { 912} (resid 61 and name HN) (resid 61 and name HA) 3.361 0.928 1.836 peak 912 weight 1.00000E+00 volume 2.60185E+05 ppm1 8.012 ppm2 4.698
!upper bound increased 1A
!ASSI { 909} (resid 61 and name HN) (resid 62 and name HD1) 2.179 0.459 2.218 peak 909 weight 1.00000E+00 volume 4.70939E+06 ppm1 8.007 ppm2 1.476
!OR    {  909}   (resid  61  and  name  HN)    (resid  62  and  name  HD2)
ASSI { 330} (resid 62 and name HN) (resid 61 and name HB2) 3.147 0.864 1.315 peak 330 weight 1.00000E+00 volume 5.18712E+05 ppm1 8.920 ppm2 2.106
ASSI { 328} (resid 62 and name HA) (resid 62 and name HN) 3.124 0.857 1.812 peak 328 weight 1.00000E+00 volume 7.14957E+04 ppm1 8.924 ppm2 3.659
ASSI { 332} (resid 62 and name HN) (resid 62 and name HB2) 2.546 0.684 1.255 peak 332 weight 1.00000E+00 volume 1.84831E+06 ppm1 8.924 ppm2 1.286
ASSI { 842} (resid 62 and name HN) (resid 62 and name HB1) 2.517 0.675 1.252 peak 842 weight 1.00000E+00 volume 2.94124E+05 ppm1 8.924 ppm2 1.738
ASSI { 315} (resid 63 and name HN) (resid 56 and name HN) 3.345 0.924 1.835 peak 315 weight 1.00000E+00 volume -1.69987E+04 ppm1 8.957 ppm2 8.585
ASSI { 318} (resid 63 and name HN) (resid 57 and name HA) 2.837 0.771 1.784 peak 318 weight 1.00000E+00 volume 9.65907E+05 ppm1 8.958 ppm2 5.411
ASSI { 320} (resid 63 and name HN) (resid 62 and name HA) 2.220 0.42 1.722 peak 320 weight 1.00000E+00 volume 2.67001E+04 ppm1 8.957 ppm2 3.662
ASSI { 323} (resid 63 and name HN) (resid 62 and name HG2) 3.144 0.863 1.314 peak 323 weight 1.00000E+00 volume 1.28750E+04 ppm1 8.957 ppm2 0.492
ASSI { 319} (resid 63 and name HN) (resid 63 and name HA) 3.022 0.827 1.802 peak 319 weight 1.00000E+00 volume 1.30994E+03 ppm1 8.959 ppm2 4.568
ASSI { 321} (resid 63 and name HN) (resid 63 and name HB) 3.291 0.907 0.329 peak 321 weight 1.00000E+00 volume 3.99205E+03 ppm1 8.961 ppm2 2.282
ASSI { 322} (resid 63 and name HN) (resid 63 and name HG1#) 2.251 0.451 1.225 peak 322 weight 1.00000E+00 volume -3.64642E+04 ppm1 8.956 ppm2 0.938
ASSI { 376} (resid 64 and name HN) (resid 56 and name HN) 3.017 0.825 1.802 peak 376 weight 1.00000E+00 volume 6.68074E+05 ppm1 8.674 ppm2 7.403
ASSI { 904} (resid 64 and name HN) (resid 62 and name HA) 2.891 0.787 1.789 peak 904 weight 1.00000E+00 volume 8.63136E+05 ppm1 7.404 ppm2 3.660
ASSI { 314} (resid 64 and name HN) (resid 63 and name HN) 2.159 0.359 1.716 peak 314 weight 1.00000E+00 volume 4.17360E+05 ppm1 7.408 ppm2 8.941
ASSI { 316} (resid 64 and name HN) (resid 63 and name HN) 2.334 0.534 1.733 peak 316 weight 1.00000E+00 volume 3.11577E+06 ppm1 8.955 ppm2 7.394
ASSI { 905} (resid 64 and name HN) (resid 63 and name HA) 2.908 0.792 1.791 peak 905 weight 1.00000E+00 volume 8.32330E+05 ppm1 7.406 ppm2 4.576
ASSI { 902} (resid 64 and name HB1) (resid 64 and name HN) 2.745 0.744 1.275 peak 902 weight 1.00000E+00 volume 1.17583E+06 ppm1 7.406 ppm2 2.242
ASSI { 903} (resid 64 and name HB2) (resid 64 and name HN) 3.251 0.895 1.325 peak 903 weight 1.00000E+00 volume 4.26222E+05 ppm1 7.404 ppm2 3.463
ASSI { 906} (resid 64 and name HA) (resid 64 and name HN) 2.794 0.758 1.779 peak 906 weight 1.00000E+00 volume 1.05783E+06 ppm1 7.406 ppm2 4.698
ASSI { 302} (resid 64 and name HA) (resid 65 and name HN) 2.693 0.728 1.769 peak 302 weight 1.00000E+00 volume 1.32017E+06 ppm1 6.846 ppm2 4.743
ASSI { 410} (resid 65 and name HG2#) (resid 53 and name HD22) 3.290 0.907 1.829 peak 410 weight 1.00000E+00 volume 3.96926E+05 ppm1 8.061 ppm2 1.020
ASSI { 411} (resid 65 and name HG2#) (resid 53 and name HD21) 3.496 0.969 1.85 peak 411 weight 1.00000E+00 volume 6.33098E+04 ppm1 7.180 ppm2 0.983
ASSI { 304} (resid 65 and name HN) (resid 64 and name HB2) 3.280 0.904 1.328 peak 304 weight 1.00000E+00 volume 4.04262E+05 ppm1 6.843 ppm2 3.460
ASSI { 305} (resid 65 and name HN) (resid 64 and name HB1) 3.842 1.073 1.384 peak 305 weight 1.00000E+00 volume 1.56448E+05 ppm1 6.847 ppm2 2.201
ASSI { 301} (resid 65 and name HA) (resid 65 and name HN) 3.135 0.861 1.814 peak 301 weight 1.00000E+00 volume 5.30006E+05 ppm1 6.844 ppm2 5.288
ASSI { 303} (resid 65 and name HB) (resid 65 and name HN) 2.895 0.789 0.290 peak 303 weight 1.00000E+00 volume 8.54582E+05 ppm1 6.845 ppm2 3.822
ASSI { 306} (resid 65 and name HG2#) (resid 65 and name HN) 3.092 0.848 1.809 peak 306 weight 1.00000E+00 volume 5.76367E+05 ppm1 6.846 ppm2 0.960
ASSI { 395} (resid 66 and name HN) (resid 54 and name HN) 2.447 0.547 1.745 peak 395 weight 1.00000E+00 volume 3.06566E+04 ppm1 9.218 ppm2 8.861
!increased bound 1A
ASSI { 290} (resid 66 and name HN) (resid 55 and name HA2) 3.077 0.843 1.308 peak 290 weight 1.00000E+00 volume 1.19024E+05 ppm1 8.849 ppm2 3.226
ASSI { 296} (resid 66 and name HN) (resid 64 and name HE#) 3.945 1.104 2.795 peak 296 weight 1.00000E+00 volume 1.17116E+05 ppm1 8.855 ppm2 6.752
ASSI { 288} (resid 66 and name HN) (resid 65 and name HG2#) 2.481 0.564 1.748 peak 288 weight 1.00000E+00 volume 2.16009E+06 ppm1 8.852 ppm2 0.965
ASSI { 291} (resid 66 and name HN) (resid 65 and name HB) 2.990 0.817 2.299 peak 291 weight 1.00000E+00 volume 7.04678E+05 ppm1 8.849 ppm2 3.809
ASSI { 293} (resid 66 and name HN) (resid 65 and name HA) 2.105 0.225 1.711 peak 293 weight 1.00000E+00 volume 1.24448E+06 ppm1 8.852 ppm2 5.273
ASSI { 292} (resid 66 and name HA) (resid 66 and name HN) 2.618 0.705 1.762 peak 292 weight 1.00000E+00 volume 3.91739E+05 ppm1 8.851 ppm2 5.018
ASSI { 297} (resid 66 and name HD#) (resid 66 and name HN) 2.712 0.734 2.671 peak 297 weight 1.00000E+00 volume 1.26541E+06 ppm1 8.852 ppm2 6.960
ASSI { 282} (resid 66 and name HA) (resid 67 and name HN) 2.167 0.267 1.717 peak 282 weight 1.00000E+00 volume -7.95976E+04 ppm1 8.873 ppm2 5.027
ASSI { 280} (resid 67 and name HN) (resid 66 and name HD#) 4.033 1.13 2.803 peak 280 weight 1.00000E+00 volume -1.45230E+04 ppm1 8.875 ppm2 7.001
ASSI { 283} (resid 67 and name HN) (resid 66 and name HB2) 3.106 0.852 1.311 peak 283 weight 1.00000E+00 volume 6.95819E+03 ppm1 8.873 ppm2 3.230
ASSI { 284} (resid 67 and name HN) (resid 66 and name HB1) 2.427 0.527 1.243 peak 284 weight 1.00000E+00 volume 2.46525E+06 ppm1 8.872 ppm2 3.006
ASSI { 281} (resid 67 and name HA) (resid 67 and name HN) 2.544 0.683 1.754 peak 281 weight 1.00000E+00 volume 8.88177E+03 ppm1 8.870 ppm2 5.746
ASSI { 285} (resid 67 and name HB2) (resid 67 and name HN) 2.241 0.441 1.224 peak 285 weight 1.00000E+00 volume 3.97190E+06 ppm1 8.873 ppm2 2.742
ASSI { 275} (resid 67 and name HB2) (resid 68 and name HN) 2.927 0.798 1.293 peak 275 weight 1.00000E+00 volume 1.53965E+05 ppm1 8.883 ppm2 2.741
ASSI { 457} (resid 68 and name HA) (resid 47 and name HN) 4.148 1.164 1.915 peak 457 weight 1.00000E+00 volume -9.88611E+04 ppm1 8.306 ppm2 4.191
ASSI { 450} (resid 68 and name HB2) (resid 48 and name HN) 2.328 0.528 2.500 peak 450 weight 1.00000E+00 volume 3.16693E+06 ppm1 8.298 ppm2 2.459
OR    {  450}   (resid  68  and  name  HB1)   (resid  48  and  name  HN)
!resid 68 and name HB2
ASSI { 846} (resid 51 and name HB1) (resid 51 and name HN) 1.968 0.168 1.197 peak 846 weight 1.00000E+00 volume 3.32621E+05 ppm1 8.351 ppm2 2.445
!OR    {  846}   (resid  68  and  name  HB1)   (resid  51  and  name  HN)
ASSI { 269} (resid 68 and name HN) (resid 52 and name HN) 3.059 0.838 1.806 peak 269 weight 1.00000E+00 volume 2.27560E+05 ppm1 8.884 ppm2 7.580
ASSI { 270} (resid 68 and name HN) (resid 54 and name HD1) 4.219 1.186 0.422 peak 270 weight 1.00000E+00 volume 8.92164E+04 ppm1 8.884 ppm2 6.663
ASSI { 271} (resid 68 and name HN) (resid 67 and name HA) 2.221 0.421 1.722 peak 271 weight 1.00000E+00 volume 4.19143E+06 ppm1 8.883 ppm2 5.737
ASSI { 272} (resid 68 and name HN) (resid 68 and name HA) 2.802 0.76 1.78 peak 272 weight 1.00000E+00 volume 1.04122E+06 ppm1 8.885 ppm2 4.209
ASSI { 274} (resid 68 and name HN) (resid 68 and name HG2) 2.405 0.605 1.24 peak 274 weight 1.00000E+00 volume 5.78412E+05 ppm1 8.883 ppm2 2.932
ASSI { 276} (resid 68 and name HN) (resid 68 and name HB2) 2.260 0.46 1.226 peak 276 weight 1.00000E+00 volume 6.53101E+05 ppm1 8.886 ppm2 2.461
ASSI { 277} (resid 68 and name HN) (resid 68 and name HG1) 2.515 0.675 1.252 peak 277 weight 1.00000E+00 volume 2.20620E+05 ppm1 8.883 ppm2 2.296
ASSI { 895} (resid 69 and name HN) (resid 68 and name HB1) 3.061 0.838 1.306 peak 895 weight 1.00000E+00 volume 1.57885E+05 ppm1 8.979 ppm2 2.467
ASSI { 896} (resid 69 and name HN) (resid 68 and name HA) 3.356 0.927 1.836 peak 896 weight 1.00000E+00 volume 3.52354E+05 ppm1 8.975 ppm2 4.193
ASSI { 892} (resid 69 and name HN) (resid 69 and name HB2) 2.088 0.288 1.209 peak 892 weight 1.00000E+00 volume 1.16192E+06 ppm1 8.976 ppm2 1.792
ASSI { 893} (resid 69 and name HN) (resid 69 and name HD2) 2.195 0.395 2.219 peak 893 weight 1.00000E+00 volume 3.67737E+05 ppm1 8.979 ppm2 1.937
ASSI { 897} (resid 69 and name HN) (resid 69 and name HA) 2.729 0.739 1.773 peak 897 weight 1.00000E+00 volume 1.21863E+06 ppm1 8.979 ppm2 4.666
ASSI { 234} (resid 70 and name HN) (resid 67 and name HB2) 3.173 0.872 1.317 peak 234 weight 1.00000E+00 volume -1.73804E+04 ppm1 8.042 ppm2 2.733
ASSI { 230} (resid 70 and name HN) (resid 69 and name HN) 2.418 0.518 1.742 peak 230 weight 1.00000E+00 volume 1.88116E+04 ppm1 8.039 ppm2 8.975
ASSI { 898} (resid 70 and name HN) (resid 69 and name HN) 2.584 0.695 1.758 peak 898 weight 1.00000E+00 volume 1.69093E+06 ppm1 8.976 ppm2 8.038
ASSI { 231} (resid 70 and name HN) (resid 70 and name HA) 2.346 0.446 1.735 peak 231 weight 1.00000E+00 volume 3.01716E+06 ppm1 8.041 ppm2 4.477
ASSI { 232} (resid 70 and name HB2) (resid 70 and name HN) 2.186 0.286 1.219 peak 232 weight 1.00000E+00 volume 4.61409E+06 ppm1 8.041 ppm2 4.300
ASSI { 233} (resid 70 and name HB1) (resid 70 and name HN) 2.439 0.539 1.244 peak 233 weight 1.00000E+00 volume 2.39277E+06 ppm1 8.040 ppm2 4.111
!resid 75 and name HG12
ASSI { 235} (resid 70 and name HN) (resid 69 and name HB1) 2.905 0.792 1.291 peak 235 weight 1.00000E+00 volume -4.62597E+04 ppm1 8.042 ppm2 1.757
ASSI { 236} (resid 70 and name HN) (resid 75 and name HD1#) 3.638 1.011 1.864 peak 236 weight 1.00000E+00 volume -3.27113E+03 ppm1 8.042 ppm2 0.828
ASSI { 865} (resid 71 and name HG2#) (resid 46 and name HN) 3.492 0.967 1.849 peak 865 weight 1.00000E+00 volume 2.77920E+05 ppm1 8.580 ppm2 1.220
ASSI { 224} (resid 71 and name HN) (resid 70 and name HB2) 2.984 0.815 1.298 peak 224 weight 1.00000E+00 volume 1.26910E+05 ppm1 8.372 ppm2 4.282
ASSI { 225} (resid 71 and name HN) (resid 70 and name HB1) 2.361 0.461 2.236 peak 225 weight 1.00000E+00 volume 4.61500E+05 ppm1 8.371 ppm2 4.105
!increased bound 2A
ASSI { 223} (resid 71 and name HB) (resid 71 and name HN) 1.962 0.162 2.196 peak 223 weight 1.00000E+00 volume 1.21272E+06 ppm1 8.372 ppm2 4.475
ASSI { 226} (resid 71 and name HN) (resid 71 and name HA) 2.513 0.674 1.751 peak 226 weight 1.00000E+00 volume 1.83867E+05 ppm1 8.370 ppm2 3.793
ASSI { 227} (resid 71 and name HG2#) (resid 71 and name HN) 2.131 0.331 1.713 peak 227 weight 1.00000E+00 volume 6.35742E+05 ppm1 8.371 ppm2 1.206
ASSI { 838} (resid 71 and name HB) (resid 72 and name HN) 2.992 0.818 1.299 peak 838 weight 1.00000E+00 volume 7.02182E+05 ppm1 8.485 ppm2 4.559
ASSI { 207} (resid 71 and name HB) (resid 73 and name HN) 2.811 0.763 0.281 peak 207 weight 1.00000E+00 volume 1.02009E+06 ppm1 8.735 ppm2 4.496
ASSI { 222} (resid 72 and name HN) (resid 66 and name HA) 3.214 0.884 1.821 peak 222 weight 1.00000E+00 volume 4.56934E+05 ppm1 8.490 ppm2 4.973
OR    {  222}   (resid  72  and  name  HN)    (resid  46  and  name  HA2)
ASSI { 218} (resid 72 and name HN) (resid 72 and name HB) 3.113 0.854 0.311 peak 218 weight 1.00000E+00 volume 1.29425E+04 ppm1 8.490 ppm2 2.107
ASSI { 839} (resid 72 and name HG1#) (resid 72 and name HN) 2.126 0.326 1.213 peak 839 weight 1.00000E+00 volume 6.10944E+04 ppm1 8.482 ppm2 1.186
ASSI { 840} (resid 72 and name HG2#) (resid 72 and name HN) 2.172 0.372 0.717 peak 840 weight 1.00000E+00 volume -1.52551E+04 ppm1 8.487 ppm2 1.010
ASSI { 208} (resid 73 and name HN) (resid 71 and name HG2#) 2.222 0.322 2.722 peak 208 weight 1.00000E+00 volume 4.18774E+06 ppm1 8.737 ppm2 1.184
ASSI { 212} (resid 73 and name HN) (resid 71 and name HN) 3.212 0.884 1.821 peak 212 weight 1.00000E+00 volume 4.58460E+05 ppm1 8.731 ppm2 8.308
ASSI { 215} (resid 73 and name HA1) (resid 72 and name HN) 2.004 0.124 0.200 peak 215 weight 1.00000E+00 volume -2.24215E+04 ppm1 8.488 ppm2 3.837
OR    {  215}   (resid  72  and  name  HN)    (resid  72  and  name  HA)
!ASSI  {  216}   (resid  73  and  name  HA2)   (resid  72  and  name  HN)    4.034  1.210  0.403  peak  216   weight  1.00000E+00  volume  3.09634E+04   ppm1  8.488  ppm2  3.557
ASSI { 837} (resid 73 and name HN) (resid 72 and name HN) 2.926 0.798 1.793 peak 837 weight 1.00000E+00 volume 8.02389E+05 ppm1 8.738 ppm2 8.475
ASSI { 201} (resid 73 and name HA2) (resid 73 and name HN) 2.998 0.819 0.300 peak 201 weight 1.00000E+00 volume 6.93319E+05 ppm1 8.730 ppm2 3.587
ASSI { 204} (resid 73 and name HA1) (resid 73 and name HN) 1.910 0.02 0.191 peak 204 weight 1.00000E+00 volume 1.03755E+07 ppm1 8.735 ppm2 3.855
ASSI { 186} (resid 73 and name HA1) (resid 74 and name HN) 2.567 0.62 0.257 peak 186 weight 1.00000E+00 volume -9.72273E+02 ppm1 7.416 ppm2 3.879
!increased 1A
ASSI { 263} (resid 73 and name HA1) (resid 75 and name HN) 2.517 0.575 1.252 peak 263 weight 1.00000E+00 volume 1.97907E+06 ppm1 7.787 ppm2 3.874
!increased 2A
ASSI { 889} (resid 73 and name HA1) (resid 76 and name HN) 2.566 0.59 2.257 peak 889 weight 1.00000E+00 volume 2.69424E+04 ppm1 8.337 ppm2 3.872
!resid 64 and name HA for 194 and 195
ASSI { 194} (resid 74 and name HD22) (resid 74 and name HA) 6.000 1.72 1.5 peak 194 weight 1.00000E+00 volume 1.07232E+04 ppm1 6.915 ppm2 4.673
ASSI { 195} (resid 74 and name HD21) (resid 74 and name HA) 5.266 1.5 2.027 peak 195 weight 1.00000E+00 volume -2.36039E+04 ppm1 7.609 ppm2 4.653
ASSI { 187} (resid 74 and name HN) (resid 71 and name HB) 2.805 0.762 0.281 peak 187 weight 1.00000E+00 volume 1.03296E+06 ppm1 7.415 ppm2 4.494
ASSI { 832} (resid 74 and name HN) (resid 71 and name HN) 3.461 0.958 1.846 peak 832 weight 1.00000E+00 volume -1.60012E+03 ppm1 7.428 ppm2 8.404
ASSI { 189} (resid 74 and name HN) (resid 73 and name HN) 3.030 0.829 1.803 peak 189 weight 1.00000E+00 volume 6.50428E+05 ppm1 7.419 ppm2 8.767
ASSI { 209} (resid 74 and name HN) (resid 73 and name HN) 2.929 0.799 1.793 peak 209 weight 1.00000E+00 volume 7.97488E+05 ppm1 8.734 ppm2 7.406
ASSI { 185} (resid 74 and name HN) (resid 74 and name HB2) 2.292 0.492 1.229 peak 185 weight 1.00000E+00 volume -3.03347E+04 ppm1 7.417 ppm2 3.010
ASSI { 188} (resid 74 and name HN) (resid 74 and name HA) 3.478 0.963 1.848 peak 188 weight 1.00000E+00 volume 2.84561E+05 ppm1 7.417 ppm2 4.735
ASSI { 192} (resid 74 and name HD21) (resid 74 and name HD22) 1.800 0.00 0.174 peak 192 weight 1.00000E+00 volume 1.05171E+06 ppm1 7.608 ppm2 6.934
ASSI { 193} (resid 74 and name HD21) (resid 74 and name HD22) 1.800 0.00 0.172 peak 193 weight 1.00000E+00 volume 1.00371E+06 ppm1 6.917 ppm2 7.586
ASSI { 262} (resid 74 and name HN) (resid 75 and name HN) 2.446 0.646 1.745 peak 262 weight 1.00000E+00 volume 2.35309E+06 ppm1 7.786 ppm2 7.399
ASSI { 264} (resid 74 and name HB2) (resid 75 and name HN) 2.451 0.651 1.245 peak 264 weight 1.00000E+00 volume 2.32192E+06 ppm1 7.788 ppm2 3.007
ASSI { 253} (resid 74 and name HA) (resid 78 and name HN) 2.717 0.735 1.772 peak 253 weight 1.00000E+00 volume 1.25214E+06 ppm1 7.996 ppm2 4.716
ASSI { 265} (resid 75 and name HG12) (resid 75 and name HN) 2.425 0.625 1.243 peak 265 weight 1.00000E+00 volume 2.47339E+06 ppm1 7.789 ppm2 1.782
ASSI { 266} (resid 75 and name HB) (resid 75 and name HN) 2.410 0.61 0.241 peak 266 weight 1.00000E+00 volume 2.02001E+05 ppm1 7.791 ppm2 1.465
ASSI { 267} (resid 75 and name HG11) (resid 75 and name HN) 2.408 0.608 1.241 peak 267 weight 1.00000E+00 volume 1.61629E+05 ppm1 7.785 ppm2 1.008
ASSI { 268} (resid 75 and name HD1#) (resid 75 and name HN) 2.902 0.791 1.79 peak 268 weight 1.00000E+00 volume 9.08120E+04 ppm1 7.790 ppm2 0.831
!resid 72 and name HG1#; resid 27 and name HD2#
ASSI { 174} (resid 76 and name HN) (resid 72 and name HG1#) 2.890 0.787 2.289 peak 174 weight 1.00000E+00 volume 8.65083E+05 ppm1 8.338 ppm2 1.124
ASSI { 828} (resid 76 and name HN) (resid 74 and name HN) 2.449 0.649 1.745 peak 828 weight 1.00000E+00 volume 2.33250E+06 ppm1 8.339 ppm2 7.429
ASSI { 173} (resid 76 and name HN) (resid 75 and name HB) 2.328 0.528 0.233 peak 173 weight 1.00000E+00 volume 3.16458E+06 ppm1 8.341 ppm2 1.467
ASSI { 829} (resid 76 and name HN) (resid 75 and name HN) 2.533 0.68 1.753 peak 829 weight 1.00000E+00 volume 1.90480E+06 ppm1 8.338 ppm2 7.756
ASSI { 830} (resid 76 and name HN) (resid 75 and name HN) 2.534 0.68 1.753 peak 830 weight 1.00000E+00 volume 1.61060E+05 ppm1 7.783 ppm2 8.381
ASSI { 888} (resid 76 and name HN) (resid 76 and name HB2) 1.966 0.166 1.197 peak 888 weight 1.00000E+00 volume 1.14505E+05 ppm1 8.336 ppm2 3.585
ASSI { 155} (resid 77 and name HN) (resid 73 and name HA2) 2.486 0.566 2.249 peak 155 weight 1.00000E+00 volume 2.67377E+05 ppm1 7.438 ppm2 3.569
ASSI { 156} (resid 77 and name HN) (resid 76 and name HA) 2.403 0.603 1.74 peak 156 weight 1.00000E+00 volume 2.61641E+06 ppm1 7.440 ppm2 4.470
ASSI { 154} (resid 77 and name HN) (resid 77 and name HB2) 2.077 0.277 1.208 peak 154 weight 1.00000E+00 volume 6.93810E+05 ppm1 7.438 ppm2 2.930
ASSI { 163} (resid 77 and name HD21) (resid 77 and name HD22) 2.159 0.359 0.216 peak 163 weight 1.00000E+00 volume 4.97322E+06 ppm1 7.789 ppm2 6.852
ASSI { 166} (resid 77 and name HB2) (resid 77 and name HD21) 2.641 0.712 1.264 peak 166 weight 1.00000E+00 volume 1.48450E+06 ppm1 7.791 ppm2 2.883
ASSI { 168} (resid 77 and name HB2) (resid 77 and name HD22) 3.540 0.982 1.354 peak 168 weight 1.00000E+00 volume 2.55955E+05 ppm1 6.836 ppm2 2.932
ASSI { 256} (resid 78 and name HA) (resid 78 and name HN) 2.477 0.663 1.748 peak 256 weight 1.00000E+00 volume 2.49112E+05 ppm1 7.995 ppm2 4.219
!resid  79  and  name  HB. Increased bound 2A
ASSI { 258} (resid 78 and name HN) (resid 75 and name HB) 2.686 0.726 2.269 peak 258 weight 1.00000E+00 volume 1.34075E+06 ppm1 7.997 ppm2 1.458
ASSI { 257} (resid 78 and name HN) (resid 81 and name HD2) 2.278 0.478 2.228 peak 257 weight 1.00000E+00 volume 3.60220E+06 ppm1 7.997 ppm2 1.731
!resid  79  and  name  HB. Bound increased by 1A. resid  82  and  name  HB1.
!ASSI  {  543}   (resid  85  and  name  HG1)    (resid  36  and  name  HN)    3.193  0.958  1.319  peak  543   weight  1.00000E+00  volume  4.74698E+05   ppm1  8.537  ppm2  1.383
ASSI { 529} (resid 79 and name HB) (resid 38 and name HN) 3.763 1.049 0.376 peak 529 weight 1.00000E+00 volume 1.77405E+05 ppm1 9.455 ppm2 1.354
ASSI { 531} (resid 79 and name HG2#) (resid 38 and name HN) 6.000 1.72 1.5 peak 531 weight 1.00000E+00 volume 4.82625E+04 ppm1 9.450 ppm2 0.563
ASSI { 145} (resid 79 and name HN) (resid 78 and name HB1) 3.074 0.842 1.307 peak 145 weight 1.00000E+00 volume 5.96868E+05 ppm1 8.010 ppm2 2.283
ASSI { 148} (resid 79 and name HN) (resid 78 and name HA) 3.523 0.977 1.852 peak 148 weight 1.00000E+00 volume 8.05653E+04 ppm1 8.013 ppm2 4.197
ASSI { 142} (resid 79 and name HG11) (resid 79 and name HN) 2.567 0.69 1.257 peak 142 weight 1.00000E+00 volume 1.76030E+06 ppm1 8.012 ppm2 0.295
ASSI { 143} (resid 79 and name HN) (resid 79 and name HG2#) 2.511 0.673 1.751 peak 143 weight 1.00000E+00 volume 2.00898E+06 ppm1 8.010 ppm2 0.451
ASSI { 144} (resid 79 and name HG12) (resid 79 and name HN) 2.143 0.343 1.214 peak 144 weight 1.00000E+00 volume 5.19440E+06 ppm1 8.013 ppm2 1.488
ASSI { 146} (resid 79 and name HN) (resid 79 and name HA) 2.377 0.577 1.738 peak 146 weight 1.00000E+00 volume 2.79408E+06 ppm1 8.009 ppm2 3.020
ASSI { 126} (resid 80 and name HN) (resid 38 and name HB#) 3.556 0.987 1.856 peak 126 weight 1.00000E+00 volume 6.46966E+04 ppm1 8.119 ppm2 1.104
ASSI { 523} (resid 80 and name HD21) (resid 38 and name HN) 3.361 0.928 0.336 peak 523 weight 1.00000E+00 volume 3.49000E+05 ppm1 9.452 ppm2 7.767
ASSI { 532} (resid 80 and name HD22) (resid 38 and name HN) 4.423 1.247 0.442 peak 532 weight 1.00000E+00 volume 5.06122E+04 ppm1 9.456 ppm2 7.230
ASSI { 121} (resid 80 and name HN) (resid 77 and name HA) 4.340 1.222 1.934 peak 121 weight 1.00000E+00 volume 8.92827E+04 ppm1 8.118 ppm2 4.387
ASSI { 120} (resid 80 and name HN) (resid 80 and name HA) 2.477 0.663 1.748 peak 120 weight 1.00000E+00 volume 2.11535E+05 ppm1 8.117 ppm2 4.659
ASSI { 123} (resid 80 and name HN) (resid 80 and name HB2) 2.127 0.327 1.213 peak 123 weight 1.00000E+00 volume 5.43239E+06 ppm1 8.116 ppm2 2.836
ASSI { 130} (resid 80 and name HD21) (resid 80 and name HD22) 2.154 0.354 0.215 peak 130 weight 1.00000E+00 volume 5.03844E+06 ppm1 7.814 ppm2 7.205
ASSI { 131} (resid 80 and name HD21) (resid 80 and name HD22) 2.053 0.253 0.205 peak 131 weight 1.00000E+00 volume 6.71787E+06 ppm1 7.217 ppm2 7.772
ASSI { 136} (resid 80 and name HB2) (resid 80 and name HD22) 2.464 0.659 1.246 peak 136 weight 1.00000E+00 volume 3.29975E+05 ppm1 7.222 ppm2 2.837
ASSI { 137} (resid 80 and name HB2) (resid 80 and name HD21) 2.743 0.743 1.274 peak 137 weight 1.00000E+00 volume 2.27308E+05 ppm1 7.816 ppm2 2.843
ASSI { 886} (resid 80 and name HN) (resid 80 and name HB1) 2.124 0.324 1.212 peak 886 weight 1.00000E+00 volume 2.94634E+05 ppm1 8.117 ppm2 2.967
ASSI { 124} (resid 80 and name HN) (resid 81 and name HG2) 2.392 0.592 1.239 peak 124 weight 1.00000E+00 volume 2.70550E+05 ppm1 8.116 ppm2 1.463
OR    {  124}   (resid  80  and  name  HN)    (resid  79  and  name  HG12)
ASSI { 884} (resid 80 and name HB2) (resid 81 and name HN) 3.078 0.843 1.308 peak 884 weight 1.00000E+00 volume 2.86877E+05 ppm1 7.868 ppm2 2.848
!resid  82  and  name  HG
ASSI { 128} (resid 80 and name HN) (resid 79 and name HG2#) 2.822 0.766 1.282 peak 128 weight 1.00000E+00 volume 1.49568E+05 ppm1 8.119 ppm2 0.586
ASSI { 122} (resid 81 and name HA) (resid 80 and name HN) 3.312 0.914 1.831 peak 122 weight 1.00000E+00 volume 6.79364E+04 ppm1 8.117 ppm2 4.208
ASSI { 882} (resid 81 and name HG2) (resid 81 and name HN) 2.886 0.786 1.289 peak 882 weight 1.00000E+00 volume 2.93305E+05 ppm1 7.869 ppm2 1.561
ASSI { 883} (resid 81 and name HB2) (resid 81 and name HN) 2.350 0.55 1.235 peak 883 weight 1.00000E+00 volume 9.18814E+05 ppm1 7.866 ppm2 1.923
ASSI { 885} (resid 81 and name HA) (resid 81 and name HN) 2.680 0.724 1.768 peak 885 weight 1.00000E+00 volume 6.00162E+05 ppm1 7.867 ppm2 4.197
ASSI { 119} (resid 82 and name HN) (resid 80 and name HN) 2.701 0.73 1.77 peak 119 weight 1.00000E+00 volume 1.29757E+06 ppm1 8.115 ppm2 7.301
ASSI { 106} (resid 82 and name HN) (resid 82 and name HA) 2.437 0.637 1.744 peak 106 weight 1.00000E+00 volume 5.46736E+05 ppm1 7.320 ppm2 4.120
ASSI { 878} (resid 82 and name HN) (resid 82 and name HG) 3.056 0.837 0.306 peak 878 weight 1.00000E+00 volume 6.18598E+05 ppm1 7.322 ppm2 0.641
ASSI { 879} (resid 82 and name HN) (resid 82 and name HD1#) 2.783 0.755 3.578 peak 879 weight 1.00000E+00 volume 1.08417E+06 ppm1 7.323 ppm2 0.917
ASSI { 880} (resid 82 and name HB2) (resid 82 and name HN) 2.680 0.724 1.268 peak 880 weight 1.00000E+00 volume 4.55743E+05 ppm1 7.321 ppm2 1.390
ASSI { 881} (resid 82 and name HB1) (resid 82 and name HN) 2.058 0.258 1.206 peak 881 weight 1.00000E+00 volume 1.49865E+06 ppm1 7.321 ppm2 1.753
ASSI { 100} (resid 83 and name HD21) (resid 36 and name HA) 3.643 1.013 1.864 peak 100 weight 1.00000E+00 volume 6.24094E+04 ppm1 7.370 ppm2 4.756
ASSI { 101} (resid 83 and name HD22) (resid 36 and name HA) 2.992 0.818 1.799 peak 101 weight 1.00000E+00 volume 1.53007E+05 ppm1 6.645 ppm2 4.750
ASSI { 90} (resid 83 and name HN) (resid 81 and name HA) 3.510 0.973 1.851 peak 90 weight 1.00000E+00 volume 2.69404E+05 ppm1 7.516 ppm2 4.176
ASSI { 86} (resid 83 and name HN) (resid 82 and name HB2) 4.344 1.223 1.434 peak 86 weight 1.00000E+00 volume 7.49698E+04 ppm1 7.514 ppm2 1.397
ASSI { 88} (resid 83 and name HN) (resid 83 and name HB1) 3.063 0.839 1.306 peak 88 weight 1.00000E+00 volume 6.10213E+05 ppm1 7.515 ppm2 2.650
ASSI { 89} (resid 83 and name HN) (resid 83 and name HB2) 2.959 0.808 1.296 peak 89 weight 1.00000E+00 volume 7.49628E+05 ppm1 7.515 ppm2 3.026
ASSI { 91} (resid 83 and name HN) (resid 83 and name HA) 2.152 0.352 1.715 peak 91 weight 1.00000E+00 volume 3.01466E+04 ppm1 7.516 ppm2 4.400
ASSI { 97} (resid 83 and name HD21) (resid 83 and name HD22) 1.840 0.04 0.184 peak 97 weight 1.00000E+00 volume 6.55249E+05 ppm1 7.370 ppm2 6.621
ASSI { 99} (resid 83 and name HD21) (resid 83 and name HD22) 1.955 0.155 0.196 peak 99 weight 1.00000E+00 volume 5.05781E+05 ppm1 6.633 ppm2 7.382
!inc bound 2A
ASSI { 87} (resid 83 and name HN) (resid 84 and name HB) 2.947 0.804 2.295 peak 87 weight 1.00000E+00 volume 1.25524E+03 ppm1 7.514 ppm2 1.828
OR    {  87}    (resid  83  and  name  HN)    (resid  81  and  name  HB2)
ASSI { 876} (resid 84 and name HN) (resid 36 and name HG) 2.592 0.698 2.259 peak 876 weight 1.00000E+00 volume 2.24731E+04 ppm1 9.178 ppm2 0.829
ASSI { 76} (resid 84 and name HN) (resid 83 and name HN) 3.810 1.063 1.881 peak 76 weight 1.00000E+00 volume 1.64563E+05 ppm1 9.176 ppm2 7.502
ASSI { 79} (resid 84 and name HN) (resid 83 and name HA) 3.003 0.821 1.8 peak 79 weight 1.00000E+00 volume 6.86350E+05 ppm1 9.178 ppm2 4.400
ASSI { 96} (resid 84 and name HN) (resid 83 and name HN) 3.871 1.081 1.887 peak 96 weight 1.00000E+00 volume 1.73772E+02 ppm1 7.519 ppm2 9.212
ASSI { 81} (resid 84 and name HA) (resid 84 and name HN) 3.196 0.879 1.82 peak 81 weight 1.00000E+00 volume 4.72340E+05 ppm1 9.177 ppm2 3.769
ASSI { 82} (resid 84 and name HN) (resid 84 and name HB) 2.601 0.7 0.260 peak 82 weight 1.00000E+00 volume 5.04893E+04 ppm1 9.176 ppm2 1.828
ASSI { 83} (resid 84 and name HN) (resid 84 and name HG12) 2.812 0.764 1.281 peak 83 weight 1.00000E+00 volume -4.38941E+04 ppm1 9.176 ppm2 1.661
ASSI { 84} (resid 84 and name HN) (resid 84 and name HG11) 2.462 0.659 1.246 peak 84 weight 1.00000E+00 volume 1.85581E+05 ppm1 9.176 ppm2 1.001
ASSI { 548} (resid 85 and name HB2) (resid 35 and name HN) 4.198 1.179 1.42 peak 548 weight 1.00000E+00 volume 9.20008E+04 ppm1 7.708 ppm2 1.750
ASSI { 547} (resid 85 and name HA) (resid 36 and name HN) 3.138 0.861 1.814 peak 547 weight 1.00000E+00 volume 5.27448E+05 ppm1 8.540 ppm2 5.336
OR    {  547}   (resid  31  and  name  HA)    (resid  36  and  name  HN)
ASSI { 73} (resid 85 and name HN) (resid 84 and name HA) 2.308 0.508 1.731 peak 73 weight 1.00000E+00 volume 3.32693E+06 ppm1 8.218 ppm2 3.751
ASSI { 818} (resid 85 and name HN) (resid 84 and name HG2#) 2.806 0.762 1.781 peak 818 weight 1.00000E+00 volume 1.03258E+06 ppm1 8.219 ppm2 0.824
ASSI { 71} (resid 85 and name HN) (resid 85 and name HD2) 3.182 0.875 1.318 peak 71 weight 1.00000E+00 volume 4.84617E+05 ppm1 8.218 ppm2 1.554
ASSI { 72} (resid 85 and name HB2) (resid 85 and name HN) 2.499 0.67 1.25 peak 72 weight 1.00000E+00 volume 2.06814E+06 ppm1 8.219 ppm2 1.799
ASSI { 74} (resid 85 and name HA) (resid 85 and name HN) 3.028 0.828 1.803 peak 74 weight 1.00000E+00 volume 6.53274E+05 ppm1 8.216 ppm2 5.282
!ASSI  {  567}   (resid  86  and  name  HA2)   (resid  34  and  name  HD22)  4.035  1.210  0.403  peak  567   weight  1.00000E+00  volume  -1.16701E+05  ppm1  7.678  ppm2  4.299
!ASSI  {  568}   (resid  86  and  name  HA2)   (resid  34  and  name  HD21)  5.349  1.605  0.535  peak  568   weight  1.00000E+00  volume  2.14846E+04   ppm1  6.915  ppm2  4.309
!resid 59 and name HB2; resid 32 and name HB2; finally removed.
!ASSI { 65} (resid 86 and name HN) (resid 34 and name HB2) 3.401 1.020 1.34 peak 65 weight 1.00000E+00 volume 3.25173E+05 ppm1 8.227 ppm2 2.822
!ASSI { 66} (resid 86 and name HN) (resid 87 and name HB2) 2.994 0.898 1.299 !restraint manually added from CCPN data
ASSI { 62} (resid 86 and name HN) (resid 85 and name HA) 2.494 0.668 1.749 peak 62 weight 1.00000E+00 volume -1.28011E+04 ppm1 8.228 ppm2 5.284
ASSI { 67} (resid 86 and name HN) (resid 85 and name HB2) 2.994 0.818 1.299 peak 67 weight 1.00000E+00 volume 6.99584E+05 ppm1 8.229 ppm2 1.740
ASSI { 63} (resid 86 and name HN) (resid 86 and name HA2) 2.958 0.808 0.296 peak 63 weight 1.00000E+00 volume -1.24005E+04 ppm1 8.227 ppm2 4.344
ASSI { 64} (resid 86 and name HN) (resid 86 and name HA1) 2.992 0.818 0.299 peak 64 weight 1.00000E+00 volume 7.01334E+05 ppm1 8.229 ppm2 3.660
!resid 87 and name HG2
ASSI { 817} (resid 89 and name HG11) (resid 86 and name HN) 3.330 0.919 1.333 peak 817 weight 1.00000E+00 volume 3.69289E+05 ppm1 8.231 ppm2 0.804
!increased bound 2A
!ASSI  {  57}    (resid  88  and  name  HN)    (resid  58  and  name  HB)    2.722  0.817  2.300  peak  57    weight  1.00000E+00  volume  3.46712E+05   ppm1  8.475  ppm2  2.033
ASSI { 59} (resid 88 and name HN) (resid 87 and name HB2) 3.294 0.908 1.329 peak 59 weight 1.00000E+00 volume 9.92728E+04 ppm1 8.475 ppm2 1.821
ASSI { 60} (resid 88 and name HN) (resid 87 and name HB1) 3.280 0.904 1.328 peak 60 weight 1.00000E+00 volume 1.36276E+05 ppm1 8.473 ppm2 1.655
ASSI { 61} (resid 88 and name HN) (resid 87 and name HG2) 2.705 0.731 1.27 peak 61 weight 1.00000E+00 volume 2.25673E+05 ppm1 8.475 ppm2 0.736
ASSI { 53} (resid 88 and name HN) (resid 88 and name HA) 2.060 0.16 1.706 peak 53 weight 1.00000E+00 volume 6.57944E+06 ppm1 8.472 ppm2 4.664
ASSI { 972} (resid 88 and name HN) (resid 88 and name HB2) 2.160 0.26 1.216 peak 972 weight 1.00000E+00 volume 6.28771E+05 ppm1 8.475 ppm2 3.090
ASSI { 48} (resid 89 and name HN) (resid 58 and name HA) 3.398 0.939 1.84 peak 48 weight 1.00000E+00 volume -1.02844E+04 ppm1 8.729 ppm2 4.719
ASSI { 50} (resid 89 and name HA) (resid 89 and name HN) 3.640 1.012 1.864 peak 50 weight 1.00000E+00 volume 2.16627E+05 ppm1 8.727 ppm2 5.111
ASSI { 51} (resid 89 and name HB) (resid 89 and name HN) 2.480 0.664 0.248 peak 51 weight 1.00000E+00 volume 2.16534E+06 ppm1 8.732 ppm2 1.729
ASSI { 814} (resid 89 and name HN) (resid 89 and name HG12) 2.820 0.766 1.282 peak 814 weight 1.00000E+00 volume 1.00148E+06 ppm1 8.723 ppm2 0.862
ASSI { 928} (resid 90 and name HB1) (resid 57 and name HN) 3.530 0.979 1.353 peak 928 weight 1.00000E+00 volume 2.60364E+05 ppm1 9.750 ppm2 1.916
OR    {  928}   (resid  57  and  name  HN)    (resid  56  and  name  HB)
ASSI { 812} (resid 90 and name HN) (resid 58 and name HN) 2.787 0.756 1.779 peak 812 weight 1.00000E+00 volume 1.07389E+06 ppm1 9.493 ppm2 9.160
ASSI { 40} (resid 90 and name HN) (resid 89 and name HA) 2.437 0.637 1.744 peak 40 weight 1.00000E+00 volume 2.40320E+06 ppm1 9.490 ppm2 5.120
ASSI { 44} (resid 90 and name HN) (resid 89 and name HB) 4.461 1.258 0.446 peak 44 weight 1.00000E+00 volume 6.38460E+04 ppm1 9.486 ppm2 1.736
ASSI { 813} (resid 90 and name HN) (resid 89 and name HG12) 2.771 0.751 1.277 peak 813 weight 1.00000E+00 volume 1.11276E+06 ppm1 9.493 ppm2 0.858
ASSI { 46} (resid 90 and name HN) (resid 90 and name HB2) 2.854 0.776 1.285 peak 46 weight 1.00000E+00 volume 9.31431E+05 ppm1 9.490 ppm2 2.015
ASSI { 33} (resid 91 and name HN) (resid 56 and name HA) 2.285 0.485 1.729 peak 33 weight 1.00000E+00 volume -3.78088E+03 ppm1 8.762 ppm2 4.832
ASSI { 37} (resid 91 and name HN) (resid 56 and name HG12) 2.968 0.81 2.297 peak 37 weight 1.00000E+00 volume 7.37316E+05 ppm1 8.763 ppm2 1.194
!resid 56 and name HD1#
ASSI { 39} (resid 91 and name HN) (resid 91 and name HD1#) 3.313 0.914 1.831 peak 39 weight 1.00000E+00 volume 3.80966E+05 ppm1 8.764 ppm2 0.901
ASSI { 32} (resid 91 and name HA) (resid 91 and name HN) 4.008 1.122 1.901 peak 32 weight 1.00000E+00 volume 8.14612E+03 ppm1 8.766 ppm2 5.585
ASSI { 811} (resid 91 and name HN) (resid 91 and name HG12) 3.399 0.94 1.34 peak 811 weight 1.00000E+00 volume 3.26567E+05 ppm1 8.758 ppm2 1.678
ASSI { 868} (resid 91 and name HN) (resid 91 and name HB) 2.609 0.703 0.261 peak 868 weight 1.00000E+00 volume 1.59664E+06 ppm1 8.763 ppm2 2.021
!increased bound 1A
ASSI { 30} (resid 92 and name HN) (resid 54 and name HZ2) 2.708 0.732 2.271 peak 30 weight 1.00000E+00 volume 1.14785E+05 ppm1 9.124 ppm2 7.135
ASSI { 936} (resid 92 and name HN) (resid 55 and name HN) 2.622 0.707 1.762 peak 936 weight 1.00000E+00 volume 1.55021E+06 ppm1 9.558 ppm2 9.116
ASSI { 944} (resid 92 and name HG1) (resid 55 and name HN) 2.927 0.798 2.293 peak 944 weight 1.00000E+00 volume 8.00462E+05 ppm1 9.560 ppm2 1.187
ASSI { 809} (resid 92 and name HN) (resid 56 and name HN) 3.099 0.85 1.81 peak 809 weight 1.00000E+00 volume 5.68147E+05 ppm1 9.124 ppm2 8.691
ASSI { 29} (resid 92 and name HN) (resid 91 and name HA) 2.156 0.356 1.716 peak 29 weight 1.00000E+00 volume 7.22518E+05 ppm1 9.123 ppm2 5.572
ASSI { 26} (resid 92 and name HN) (resid 92 and name HD2) 2.222 0.422 1.222 peak 26 weight 1.00000E+00 volume 3.26173E+05 ppm1 9.123 ppm2 1.196
ASSI { 28} (resid 92 and name HA) (resid 92 and name HN) 2.720 0.736 1.772 peak 28 weight 1.00000E+00 volume 2.19082E+05 ppm1 9.122 ppm2 5.021
ASSI { 867} (resid 93 and name HN) (resid 54 and name HZ2) 3.075 0.843 0.308 peak 867 weight 1.00000E+00 volume 5.95187E+05 ppm1 8.219 ppm2 7.084
ASSI { 941} (resid 93 and name HA) (resid 55 and name HN) 2.989 0.817 1.799 peak 941 weight 1.00000E+00 volume 1.03411E+05 ppm1 9.559 ppm2 3.717
ASSI { 18} (resid 93 and name HN) (resid 92 and name HG2) 3.158 0.868 1.316 peak 18 weight 1.00000E+00 volume 5.07265E+05 ppm1 8.218 ppm2 1.277
ASSI { 20} (resid 93 and name HN) (resid 92 and name HB2) 2.312 0.512 1.231 peak 20 weight 1.00000E+00 volume 5.60714E+04 ppm1 8.221 ppm2 1.741
ASSI { 24} (resid 93 and name HN) (resid 92 and name HA) 2.096 0.296 1.71 peak 24 weight 1.00000E+00 volume 5.93481E+06 ppm1 8.218 ppm2 5.026
ASSI { 17} (resid 93 and name HN) (resid 93 and name HG2) 2.022 0.222 1.202 peak 17 weight 1.00000E+00 volume 7.37538E+06 ppm1 8.219 ppm2 1.019
ASSI { 19} (resid 93 and name HN) (resid 93 and name HB2) 2.440 0.64 1.244 peak 19 weight 1.00000E+00 volume 2.38315E+06 ppm1 8.221 ppm2 1.559
ASSI { 808} (resid 93 and name HA) (resid 93 and name HN) 2.751 0.745 1.775 peak 808 weight 1.00000E+00 volume 1.16111E+06 ppm1 8.219 ppm2 3.739
ASSI { 806} (resid 94 and name HN) (resid 54 and name HA) 3.812 1.064 1.881 peak 806 weight 1.00000E+00 volume 1.78153E+05 ppm1 7.800 ppm2 4.662
ASSI { 945} (resid 94 and name HG2#) (resid 55 and name HN) 2.530 0.679 1.753 peak 945 weight 1.00000E+00 volume 1.92007E+06 ppm1 9.559 ppm2 0.916
ASSI { 946} (resid 94 and name HD1#) (resid 55 and name HN) 3.007 0.822 1.801 peak 946 weight 1.00000E+00 volume 1.42855E+05 ppm1 9.559 ppm2 0.727
ASSI { 15} (resid 94 and name HN) (resid 93 and name HA) 2.083 0.283 1.708 peak 15 weight 1.00000E+00 volume 6.15582E+06 ppm1 7.800 ppm2 3.663
ASSI { 9} (resid 94 and name HN) (resid 94 and name HG2#) 2.558 0.687 1.756 peak 9 weight 1.00000E+00 volume 2.37386E+05 ppm1 7.802 ppm2 0.920
ASSI { 10} (resid 94 and name HN) (resid 94 and name HG12) 2.267 0.467 1.227 peak 10 weight 1.00000E+00 volume 3.70818E+06 ppm1 7.800 ppm2 1.100
ASSI { 13} (resid 94 and name HN) (resid 94 and name HD1#) 2.345 0.545 1.735 peak 13 weight 1.00000E+00 volume 3.02672E+06 ppm1 7.799 ppm2 0.682




!!!!!!!!!!!!!
!!C13 NOES !!
!!!!!!!!!!!!!
ASSI { 1278} (resid 10 and name HA) (resid 10 and name HB2) 2.455 0.575 1.245 peak 1278 weight 1.00000E+00 volume 6.68121E+05 ppm1 2.846 ppm2 4.701
ASSI { 1279} (resid 10 and name HA) (resid 10 and name HB2) 2.438 0.558 1.244 peak 1279 weight 1.00000E+00 volume 4.82512E+04 ppm1 2.882 ppm2 4.707
ASSI { 1866} (resid 10 and name HA) (resid 10 and name HB2) 2.341 0.461 1.234 peak 1866 weight 1.00000E+00 volume 7.08605E+04 ppm1 4.676 ppm2 2.852
ASSI { 1863} (resid 11 and name HB2) (resid 12 and name HA) 2.324 0.344 1.232 peak 1863 weight 1.00000E+00 volume 9.27763E+05 ppm1 4.451 ppm2 2.901
ASSI { 1275} (resid 12 and name HB1) (resid 12 and name HA) 2.474 0.582 1.247 peak 1275 weight 1.00000E+00 volume 6.36975E+05 ppm1 4.237 ppm2 4.462
ASSI { 1276} (resid 12 and name HB2) (resid 12 and name HA) 2.284 0.404 1.228 peak 1276 weight 1.00000E+00 volume 1.02811E+06 ppm1 4.175 ppm2 4.465
ASSI { 1862} (resid 12 and name HB2) (resid 12 and name HA) 1.905 0.025 1.19 peak 1862 weight 1.00000E+00 volume 3.05824E+06 ppm1 4.451 ppm2 4.186
ASSI { 1864} (resid 12 and name HB1) (resid 12 and name HA) 3.623 0.927 1.362 peak 1864 weight 1.00000E+00 volume 2.20256E+05 ppm1 4.447 ppm2 4.266
ASSI { 1256} (resid 12 and name HB1) (resid 13 and name HB) 2.454 0.574 1.245 peak 1256 weight 1.00000E+00 volume 6.69167E+05 ppm1 2.030 ppm2 4.332
ASSI { 1271} (resid 12 and name HB1) (resid 13 and name HG2#) 2.915 0.714 2.791 peak 1271 weight 1.00000E+00 volume 2.97855E+04 ppm1 0.723 ppm2 4.297
ASSI { 1860} (resid 12 and name HB1) (resid 13 and name HD1#) 2.835 0.691 3.000 peak 1860 weight 1.00000E+00 volume 2.18216E+04 ppm1 0.675 ppm2 4.284
!resid 12 and name HA. resid 17 and name HA.
ASSI { 1861} (resid 30 and name HA) (resid 13 and name HD1#) 3.222 0.807 1.822 peak 1861 weight 1.00000E+00 volume 1.56442E+04 ppm1 0.673 ppm2 4.486
!resid 12 and name HA
ASSI { 1272} (resid 13 and name HG2#) (resid 30 and name HA) 2.660 0.638 1.766 peak 1272 weight 1.00000E+00 volume 4.12651E+04 ppm1 0.720 ppm2 4.486
ASSI { 1249} (resid 13 and name HG2#) (resid 13 and name HA) 2.382 0.502 1.738 peak 1249 weight 1.00000E+00 volume 7.97225E+04 ppm1 3.751 ppm2 0.715
ASSI { 1251} (resid 13 and name HG12) (resid 13 and name HA) 2.509 0.593 1.251 peak 1251 weight 1.00000E+00 volume 5.86335E+05 ppm1 3.749 ppm2 1.223
ASSI { 1252} (resid 13 and name HG11) (resid 13 and name HA) 2.976 0.733 1.298 peak 1252 weight 1.00000E+00 volume 2.10356E+05 ppm1 3.751 ppm2 1.655
ASSI { 1253} (resid 13 and name HB) (resid 13 and name HA) 2.947 0.724 0.295 peak 1253 weight 1.00000E+00 volume 2.22916E+05 ppm1 3.751 ppm2 2.059
ASSI { 1255} (resid 13 and name HB) (resid 13 and name HA) 2.751 0.665 0.275 peak 1255 weight 1.00000E+00 volume 3.37031E+05 ppm1 2.034 ppm2 3.792
ASSI { 1257} (resid 13 and name HG2#) (resid 13 and name HB) 2.096 0.216 1.71 peak 1257 weight 1.00000E+00 volume 1.72253E+06 ppm1 2.036 ppm2 0.740
ASSI { 1258} (resid 13 and name HG12) (resid 13 and name HB) 2.656 0.637 1.266 peak 1258 weight 1.00000E+00 volume 4.16482E+05 ppm1 2.030 ppm2 1.239
ASSI { 1259} (resid 13 and name HG11) (resid 13 and name HB) 2.597 0.619 1.26 peak 1259 weight 1.00000E+00 volume 4.76596E+05 ppm1 2.032 ppm2 1.622
ASSI { 1260} (resid 13 and name HG12) (resid 13 and name HA) 2.865 0.7 1.287 peak 1260 weight 1.00000E+00 volume 2.52504E+04 ppm1 1.185 ppm2 3.755
ASSI { 1261} (resid 13 and name HG11) (resid 13 and name HA) 2.856 0.697 1.286 peak 1261 weight 1.00000E+00 volume 2.69006E+05 ppm1 1.629 ppm2 3.770
ASSI { 1262} (resid 13 and name HG12) (resid 13 and name HG11) 1.855 0.00 2.186 peak 1262 weight 1.00000E+00 volume 3.58165E+06 ppm1 1.633 ppm2 1.213
ASSI { 1263} (resid 13 and name HG12) (resid 13 and name HG11) 2.172 0.292 2.217 peak 1263 weight 1.00000E+00 volume 1.39216E+06 ppm1 1.185 ppm2 1.675
ASSI { 1264} (resid 13 and name HG12) (resid 13 and name HG2#) 2.494 0.588 2.749 peak 1264 weight 1.00000E+00 volume 5.06028E+04 ppm1 1.184 ppm2 0.724
ASSI { 1265} (resid 13 and name HG11) (resid 13 and name HG2#) 2.278 0.398 2.728 peak 1265 weight 1.00000E+00 volume 6.50246E+04 ppm1 1.634 ppm2 0.720
ASSI { 1266} (resid 13 and name HG2#) (resid 13 and name HB) 2.150 0.27 1.715 peak 1266 weight 1.00000E+00 volume 1.21759E+05 ppm1 0.722 ppm2 2.030
ASSI { 1268} (resid 13 and name HG11) (resid 13 and name HG2#) 2.515 0.594 2.751 peak 1268 weight 1.00000E+00 volume 5.79134E+04 ppm1 0.722 ppm2 1.630
ASSI { 1269} (resid 13 and name HG12) (resid 13 and name HG2#) 2.281 0.401 2.728 peak 1269 weight 1.00000E+00 volume 1.13397E+05 ppm1 0.723 ppm2 1.233
ASSI { 1270} (resid 13 and name HG2#) (resid 13 and name HA) 2.312 0.432 1.731 peak 1270 weight 1.00000E+00 volume 1.22254E+05 ppm1 0.725 ppm2 3.764
ASSI { 1852} (resid 13 and name HG12) (resid 13 and name HD1#) 2.349 0.469 2.735 peak 1852 weight 1.00000E+00 volume 8.22382E+04 ppm1 0.675 ppm2 1.183
ASSI { 1853} (resid 13 and name HG11) (resid 13 and name HD1#) 2.255 0.375 2.726 peak 1853 weight 1.00000E+00 volume 1.00541E+05 ppm1 0.676 ppm2 1.654
ASSI { 1855} (resid 13 and name HB) (resid 13 and name HD1#) 2.546 0.604 1.755 peak 1855 weight 1.00000E+00 volume 4.36772E+04 ppm1 0.676 ppm2 2.048
ASSI { 1859} (resid 13 and name HA) (resid 13 and name HD1#) 2.610 0.623 1.761 peak 1859 weight 1.00000E+00 volume 4.22101E+04 ppm1 0.676 ppm2 3.758
ASSI { 1273} (resid 14 and name HA) (resid 13 and name HG2#) 3.085 0.766 1.809 peak 1273 weight 1.00000E+00 volume 1.69369E+05 ppm1 0.719 ppm2 4.627
OR    {  1273}  (resid  13  and  name  HG2#)  (resid  11  and  name  HA)
ASSI { 200} (resid 14 and name HB1) (resid 14 and name HA) 2.212 0.332 1.221 peak 200 weight 1.00000E+00 volume 1.38325E+05 ppm1 4.653 ppm2 2.999
ASSI { 1241} (resid 15 and name HA) (resid 11 and name HB2) 2.744 0.663 2.274 peak 1241 weight 1.00000E+00 volume 1.81982E+04 ppm1 4.177 ppm2 2.935
!bound increased 1A
!ASSI { 1233} (resid 16 and name HG2#) (resid 13 and name HB) 2.635 0.790 2.263 peak 1233 weight 1.00000E+00 volume 4.36573E+05 ppm1 0.900 ppm2 2.014
ASSI { 1250} (resid 16 and name HG2#) (resid 13 and name HA) 2.827 0.688 2.283 peak 1250 weight 1.00000E+00 volume 2.86354E+05 ppm1 3.752 ppm2 0.900
ASSI { 1254} (resid 16 and name HB) (resid 13 and name HA) 2.700 0.65 0.270 peak 1254 weight 1.00000E+00 volume 3.77447E+05 ppm1 3.751 ppm2 2.329
ASSI { 1218} (resid 16 and name HG1#) (resid 16 and name HA) 3.021 0.746 1.302 peak 1218 weight 1.00000E+00 volume 1.92147E+05 ppm1 3.854 ppm2 1.212
ASSI { 1219} (resid 16 and name HG2#) (resid 16 and name HA) 3.119 0.776 0.812 peak 1219 weight 1.00000E+00 volume 1.58570E+05 ppm1 3.851 ppm2 0.908
ASSI { 1220} (resid 16 and name HB) (resid 16 and name HA) 2.367 0.487 0.237 peak 1220 weight 1.00000E+00 volume 8.29856E+05 ppm1 2.301 ppm2 3.817
ASSI { 1221} (resid 16 and name HG1#) (resid 16 and name HB) 2.368 0.488 1.237 peak 1221 weight 1.00000E+00 volume 8.28295E+05 ppm1 2.304 ppm2 1.216
ASSI { 1222} (resid 16 and name HG2#) (resid 16 and name HB) 2.323 0.443 0.732 peak 1222 weight 1.00000E+00 volume 8.03042E+04 ppm1 2.306 ppm2 0.891
ASSI { 1223} (resid 16 and name HG1#) (resid 16 and name HA) 2.107 0.227 1.211 peak 1223 weight 1.00000E+00 volume 1.82741E+05 ppm1 1.206 ppm2 3.839
ASSI { 1226} (resid 16 and name HG1#) (resid 16 and name HB) 2.159 0.279 1.216 peak 1226 weight 1.00000E+00 volume 2.43418E+05 ppm1 1.203 ppm2 2.313
ASSI { 1228} (resid 16 and name HG1#) (resid 16 and name HG2#) 2.006 0.126 1.701 peak 1228 weight 1.00000E+00 volume 2.44642E+05 ppm1 1.203 ppm2 0.888
ASSI { 1231} (resid 16 and name HG2#) (resid 16 and name HA) 2.402 0.522 0.74 peak 1231 weight 1.00000E+00 volume 9.02430E+04 ppm1 0.900 ppm2 3.853
ASSI { 1232} (resid 16 and name HG2#) (resid 16 and name HB) 2.308 0.428 0.731 peak 1232 weight 1.00000E+00 volume 9.67297E+05 ppm1 0.900 ppm2 2.299
ASSI { 1236} (resid 16 and name HG1#) (resid 16 and name HG2#) 2.500 0.59 1.75 peak 1236 weight 1.00000E+00 volume 5.99127E+05 ppm1 0.897 ppm2 1.190
ASSI { 1217} (resid 16 and name HA) (resid 19 and name HG2) 3.290 0.827 1.329 peak 1217 weight 1.00000E+00 volume 1.40414E+04 ppm1 3.851 ppm2 1.900
!resid 19 and name HD2
ASSI { 1227} (resid 16 and name HG1#) (resid 13 and name HB) 2.275 0.395 3.228 peak 1227 weight 1.00000E+00 volume 1.29279E+05 ppm1 1.207 ppm2 2.019
ASSI { 1500} (resid 16 and name HA) (resid 19 and name HG2) 3.322 0.837 1.332 peak 1500 weight 1.00000E+00 volume 1.08723E+05 ppm1 1.890 ppm2 3.833
ASSI { 1501} (resid 16 and name HA) (resid 19 and name HG1) 3.463 0.879 2.346 peak 1501 weight 1.00000E+00 volume 8.47178E+04 ppm1 1.739 ppm2 3.842
ASSI { 1198} (resid 16 and name HG1#) (resid 20 and name HD1#) 2.133 0.253 3.613 peak 1198 weight 1.00000E+00 volume 1.77754E+05 ppm1 0.024 ppm2 1.144
!increased bound 0.5A
ASSI { 1225} (resid 16 and name HG1#) (resid 54 and name HZ3) 2.500 0.59 1.75 peak 1225 weight 1.00000E+00 volume 8.26255E+04 ppm1 1.205 ppm2 6.989
OR    {  1225}  (resid  16  and  name  HG1#)  (resid  54  and  name  HH2)
ASSI { 1240} (resid 16 and name HG2#) (resid 54 and name HH2) 2.965 0.729 1.296 peak 1240 weight 1.00000E+00 volume 2.68050E+04 ppm1 0.900 ppm2 6.991
OR    {  1240}  (resid  16  and  name  HG2#)  (resid  54  and  name  HZ3)
ASSI { 1239} (resid 17 and name HA) (resid 16 and name HG2#) 3.021 0.746 1.302 peak 1239 weight 1.00000E+00 volume 1.92131E+05 ppm1 0.899 ppm2 4.534
ASSI { 1848} (resid 17 and name HA) (resid 17 and name HB2) 2.318 0.338 1.232 peak 1848 weight 1.00000E+00 volume 1.05325E+05 ppm1 4.514 ppm2 2.883
!resid 17 and name HA (also 1211)
ASSI { 1210} (resid 15 and name HB2) (resid 18 and name HB1) 2.756 0.667 1.276 peak 1210 weight 1.00000E+00 volume 2.43979E+04 ppm1 2.836 ppm2 4.467
ASSI { 1211} (resid 15 and name HB2) (resid 18 and name HB2) 3.084 0.765 1.308 peak 1211 weight 1.00000E+00 volume 1.69754E+05 ppm1 2.882 ppm2 4.451
ASSI { 1194} (resid 17 and name HA) (resid 20 and name HG) 2.951 0.725 0.295 peak 1194 weight 1.00000E+00 volume 1.88634E+04 ppm1 1.405 ppm2 4.520
ASSI { 1208} (resid 18 and name HA) (resid 18 and name HB1) 2.469 0.581 1.247 peak 1208 weight 1.00000E+00 volume 4.91723E+04 ppm1 2.845 ppm2 4.621
ASSI { 1209} (resid 18 and name HA) (resid 18 and name HB2) 2.475 0.582 1.247 peak 1209 weight 1.00000E+00 volume 3.56086E+04 ppm1 2.886 ppm2 4.611
ASSI { 1214} (resid 18 and name HA) (resid 18 and name HB2) 2.050 0.17 1.205 peak 1214 weight 1.00000E+00 volume 1.96909E+06 ppm1 4.604 ppm2 2.842
OR    {  1214}  (resid  18  and  name  HA)    (resid  18  and  name  HB1)
ASSI { 1491} (resid 18 and name HB2) (resid 19 and name HA) 3.244 0.813 1.324 peak 1491 weight 1.00000E+00 volume 1.25342E+05 ppm1 4.257 ppm2 2.867
!ASSI { 1244} (resid 19 and name HB1) (resid 15 and name HA) 2.323 0.603 2.332 peak 1244 weight 1.00000E+00 volume 9.30843E+05 ppm1 4.175 ppm2 2.176
!OR    {  1244}  (resid  19  and  name  HB2)   (resid  15  and  name  HA)
ASSI { 1216} (resid 19 and name HB2) (resid 16 and name HA) 2.792 0.678 1.279 peak 1216 weight 1.00000E+00 volume 1.35827E+04 ppm1 3.851 ppm2 2.212
ASSI { 1494} (resid 19 and name HB2) (resid 16 and name HA) 2.710 0.653 1.271 peak 1494 weight 1.00000E+00 volume 3.68561E+05 ppm1 2.205 ppm2 3.850
ASSI { 1514} (resid 19 and name HD1) (resid 16 and name HA) 3.114 0.774 1.311 peak 1514 weight 1.00000E+00 volume 2.15312E+04 ppm1 1.878 ppm2 3.845
ASSI { 1515} (resid 19 and name HD2) (resid 16 and name HA) 3.258 0.817 1.326 peak 1515 weight 1.00000E+00 volume 1.17487E+04 ppm1 1.979 ppm2 3.833
ASSI { 1486} (resid 19 and name HB2) (resid 19 and name HA) 2.028 0.148 1.203 peak 1486 weight 1.00000E+00 volume 2.18159E+05 ppm1 4.262 ppm2 2.205
ASSI { 1487} (resid 19 and name HA) (resid 19 and name HG2) 2.378 0.498 1.238 peak 1487 weight 1.00000E+00 volume 8.39861E+04 ppm1 4.259 ppm2 1.891
ASSI { 1488} (resid 19 and name HA) (resid 19 and name HG1) 2.297 0.417 1.23 peak 1488 weight 1.00000E+00 volume 9.95419E+05 ppm1 4.263 ppm2 1.759
ASSI { 1490} (resid 19 and name HA) (resid 19 and name HE1) 3.224 0.807 1.322 peak 1490 weight 1.00000E+00 volume 1.30057E+05 ppm1 4.259 ppm2 3.161
ASSI { 1492} (resid 19 and name HB2) (resid 19 and name HG1) 2.510 0.593 2.251 peak 1492 weight 1.00000E+00 volume 3.73602E+04 ppm1 2.204 ppm2 1.764
ASSI { 1493} (resid 19 and name HB2) (resid 19 and name HG2) 2.204 0.324 2.22 peak 1493 weight 1.00000E+00 volume 9.26767E+04 ppm1 2.204 ppm2 1.903
ASSI { 1495} (resid 19 and name HB2) (resid 19 and name HA) 2.455 0.575 1.246 peak 1495 weight 1.00000E+00 volume 6.67303E+05 ppm1 2.204 ppm2 4.273
ASSI { 1498} (resid 19 and name HA) (resid 19 and name HG1) 2.630 0.629 1.263 peak 1498 weight 1.00000E+00 volume 2.89073E+04 ppm1 1.737 ppm2 4.269
ASSI { 1499} (resid 19 and name HA) (resid 19 and name HG2) 2.824 0.687 1.282 peak 1499 weight 1.00000E+00 volume 1.80856E+04 ppm1 1.888 ppm2 4.269
ASSI { 1502} (resid 19 and name HE1) (resid 19 and name HG1) 2.874 0.702 2.287 peak 1502 weight 1.00000E+00 volume 2.59526E+05 ppm1 1.739 ppm2 3.165
ASSI { 1503} (resid 19 and name HE1) (resid 19 and name HG2) 2.884 0.705 2.288 peak 1503 weight 1.00000E+00 volume 2.26701E+04 ppm1 1.887 ppm2 3.165
ASSI { 1505} (resid 19 and name HB2) (resid 19 and name HG2) 2.629 0.629 2.263 peak 1505 weight 1.00000E+00 volume 4.43036E+05 ppm1 1.887 ppm2 2.199
ASSI { 1506} (resid 19 and name HG2) (resid 19 and name HG1) 1.800 0.00 2.179 peak 1506 weight 1.00000E+00 volume 2.10034E+05 ppm1 1.742 ppm2 1.926
ASSI { 1507} (resid 19 and name HG2) (resid 19 and name HG1) 1.872 0.00 2.187 peak 1507 weight 1.00000E+00 volume 3.39594E+06 ppm1 1.886 ppm2 1.740
ASSI { 1508} (resid 19 and name HD1) (resid 19 and name HE1) 2.477 0.583 2.248 peak 1508 weight 1.00000E+00 volume 7.93306E+04 ppm1 1.879 ppm2 3.171
ASSI { 1509} (resid 19 and name HD2) (resid 19 and name HE1) 2.396 0.516 2.24 peak 1509 weight 1.00000E+00 volume 9.13685E+04 ppm1 1.982 ppm2 3.160
ASSI { 1510} (resid 19 and name HD1) (resid 19 and name HG1) 2.286 0.406 2.229 peak 1510 weight 1.00000E+00 volume 1.76021E+05 ppm1 1.883 ppm2 1.710
ASSI { 1511} (resid 19 and name HD2) (resid 19 and name HG1) 2.296 0.416 2.23 peak 1511 weight 1.00000E+00 volume 1.39804E+05 ppm1 1.976 ppm2 1.731
ASSI { 1512} (resid 19 and name HB2) (resid 19 and name HD2) 2.798 0.679 2.28 peak 1512 weight 1.00000E+00 volume 6.44223E+04 ppm1 1.983 ppm2 2.192
ASSI { 1513} (resid 19 and name HB2) (resid 19 and name HD1) 3.824 0.987 2.382 peak 1513 weight 1.00000E+00 volume 7.48132E+04 ppm1 1.881 ppm2 2.188
ASSI { 1516} (resid 19 and name HD2) (resid 19 and name HA) 2.988 0.736 1.299 peak 1516 weight 1.00000E+00 volume 2.14761E+04 ppm1 1.979 ppm2 4.289
ASSI { 1517} (resid 19 and name HD1) (resid 19 and name HA) 2.927 0.718 1.293 peak 1517 weight 1.00000E+00 volume 2.31460E+04 ppm1 1.883 ppm2 4.268
ASSI { 1200} (resid 19 and name HB2) (resid 20 and name HD1#) 2.658 0.637 3.666 peak 1200 weight 1.00000E+00 volume 4.65216E+04 ppm1 0.027 ppm2 2.208
ASSI { 1484} (resid 19 and name HA) (resid 22 and name HD2) 2.888 0.706 2.289 peak 1484 weight 1.00000E+00 volume 2.52075E+05 ppm1 1.779 ppm2 4.273
!ASSI { 1496} (resid 19 and name HB2) (resid 54 and name HZ3) 2.928 0.878 1.293 peak 1496 weight 1.00000E+00 volume 2.08363E+04 ppm1 2.205 ppm2 7.034
!ASSI { 1497} (resid 19 and name HB2) (resid 54 and name HE3) 3.239 0.972 1.324 peak 1497 weight 1.00000E+00 volume 1.28870E+04 ppm1 2.203 ppm2 7.382
!ASSI  {  1518}  (resid  19  and  name  HD1)   (resid  54  and  name  HZ3)   3.033  0.910  0.303  peak  1518  weight  1.00000E+00  volume  1.87597E+05   ppm1  1.877  ppm2  7.049
!resid 54 and name HZ3
ASSI { 1519} (resid 19 and name HD2) (resid 54 and name HZ2) 2.965 0.73 1.297 peak 1519 weight 1.00000E+00 volume 2.14999E+05 ppm1 1.976 ppm2 7.020
ASSI { 1191} (resid 20 and name HG) (resid 16 and name HG2#) 2.610 0.623 1.261 peak 1191 weight 1.00000E+00 volume 4.23336E+04 ppm1 1.400 ppm2 0.891
ASSI { 1235} (resid 20 and name HG) (resid 16 and name HG2#) 3.290 0.827 1.329 peak 1235 weight 1.00000E+00 volume 1.15123E+05 ppm1 0.901 ppm2 1.416
!ASSI { 1238} (resid 20 and name HA) (resid 16 and name HG2#) 3.593 1.078 1.359 peak 1238 weight 1.00000E+00 volume 6.79675E+04 ppm1 0.898 ppm2 4.221
ASSI { 1849} (resid 20 and name HB2) (resid 17 and name HA) 2.506 0.492 1.251 peak 1849 weight 1.00000E+00 volume 5.98495E+04 ppm1 4.514 ppm2 1.761
ASSI { 1174} (resid 20 and name HA) (resid 19 and name HB2) 2.497 0.589 1.25 peak 1174 weight 1.00000E+00 volume 5.08625E+04 ppm1 4.237 ppm2 2.180
ASSI { 1171} (resid 20 and name HA) (resid 20 and name HB1) 2.607 0.622 1.261 peak 1171 weight 1.00000E+00 volume 3.34292E+04 ppm1 1.652 ppm2 4.245
ASSI { 1172} (resid 20 and name HA) (resid 20 and name HB2) 2.723 0.657 1.272 peak 1172 weight 1.00000E+00 volume 3.21736E+04 ppm1 1.753 ppm2 4.251
ASSI { 1176} (resid 20 and name HA) (resid 20 and name HG) 2.109 0.229 1.211 peak 1176 weight 1.00000E+00 volume 1.65855E+06 ppm1 4.239 ppm2 1.417
ASSI { 1179} (resid 20 and name HA) (resid 20 and name HB1) 2.243 0.363 1.224 peak 1179 weight 1.00000E+00 volume 1.14760E+06 ppm1 4.245 ppm2 1.647
ASSI { 1180} (resid 20 and name HA) (resid 20 and name HB2) 2.238 0.358 1.224 peak 1180 weight 1.00000E+00 volume 1.16343E+06 ppm1 4.245 ppm2 1.756
ASSI { 1181} (resid 20 and name HB2) (resid 20 and name HG) 2.582 0.615 1.258 peak 1181 weight 1.00000E+00 volume 4.92914E+05 ppm1 1.748 ppm2 1.402
ASSI { 1182} (resid 20 and name HB1) (resid 20 and name HG) 2.877 0.703 1.288 peak 1182 weight 1.00000E+00 volume 2.83116E+04 ppm1 1.654 ppm2 1.402
ASSI { 1189} (resid 20 and name HB2) (resid 20 and name HG) 2.308 0.428 1.231 peak 1189 weight 1.00000E+00 volume 9.67657E+05 ppm1 1.404 ppm2 1.763
ASSI { 1193} (resid 20 and name HA) (resid 20 and name HG) 2.894 0.708 0.289 peak 1193 weight 1.00000E+00 volume 2.28383E+04 ppm1 1.404 ppm2 4.236
ASSI { 1197} (resid 20 and name HG) (resid 20 and name HD1#) 2.004 0.124 3.5 peak 1197 weight 1.00000E+00 volume 2.25697E+06 ppm1 0.024 ppm2 1.433
ASSI { 1199} (resid 20 and name HB2) (resid 20 and name HD1#) 2.182 0.302 4.518 peak 1199 weight 1.00000E+00 volume 1.13189E+05 ppm1 0.024 ppm2 1.747
ASSI { 1203} (resid 20 and name HA) (resid 20 and name HD1#) 2.021 0.141 3.502 peak 1203 weight 1.00000E+00 volume 2.14454E+06 ppm1 0.028 ppm2 4.266
ASSI { 1206} (resid 20 and name HD1#) (resid 54 and name HH2) 2.939 0.722 2.694 peak 1206 weight 1.00000E+00 volume 3.46257E+04 ppm1 0.026 ppm2 7.012
OR    {  1206}  (resid  20  and  name  HD1#)  (resid  54  and  name  HZ3)
ASSI { 1207} (resid 20 and name HD1#) (resid 54 and name HE3) 2.627 0.628 2.663 peak 1207 weight 1.00000E+00 volume 4.63721E+04 ppm1 0.026 ppm2 7.386
ASSI { 1204} (resid 20 and name HD1#) (resid 66 and name HZ) 2.742 0.662 2.674 peak 1204 weight 1.00000E+00 volume 3.44153E+05 ppm1 0.027 ppm2 6.416
ASSI { 1205} (resid 20 and name HD1#) (resid 66 and name HE#) 2.573 0.612 5.057 peak 1205 weight 1.00000E+00 volume 5.03719E+05 ppm1 0.023 ppm2 6.716
ASSI { 1212} (resid 21 and name HB2) (resid 18 and name HA) 2.599 0.62 1.26 peak 1212 weight 1.00000E+00 volume 4.74159E+05 ppm1 4.603 ppm2 3.204
ASSI { 1213} (resid 21 and name HB1) (resid 18 and name HA) 1.991 0.111 1.199 peak 1213 weight 1.00000E+00 volume 1.12314E+05 ppm1 4.602 ppm2 2.925
ASSI { 1841} (resid 21 and name HA) (resid 20 and name HB2) 2.653 0.636 1.265 peak 1841 weight 1.00000E+00 volume 3.38138E+04 ppm1 4.884 ppm2 1.771
ASSI { 1738} (resid 21 and name HA) (resid 21 and name HB1) 2.107 0.227 1.211 peak 1738 weight 1.00000E+00 volume 1.66798E+06 ppm1 4.885 ppm2 2.946
ASSI { 1842} (resid 21 and name HA) (resid 21 and name HB2) 2.327 0.447 1.233 peak 1842 weight 1.00000E+00 volume 8.95328E+04 ppm1 4.884 ppm2 3.220
ASSI { 1843} (resid 21 and name HB2) (resid 21 and name HB1) 1.834 0.00 2.183 peak 1843 weight 1.00000E+00 volume 2.34972E+05 ppm1 2.930 ppm2 3.227
ASSI { 1844} (resid 21 and name HB2) (resid 21 and name HB1) 1.812 0.00 2.181 peak 1844 weight 1.00000E+00 volume 4.12646E+06 ppm1 3.204 ppm2 2.960
ASSI { 1845} (resid 21 and name HA) (resid 21 and name HB1) 2.414 0.534 1.241 peak 1845 weight 1.00000E+00 volume 5.76004E+04 ppm1 2.937 ppm2 4.894
ASSI { 1846} (resid 21 and name HA) (resid 21 and name HB2) 2.499 0.59 1.25 peak 1846 weight 1.00000E+00 volume 6.00010E+05 ppm1 3.202 ppm2 4.894
ASSI { 1840} (resid 21 and name HA) (resid 26 and name HD2) 2.628 0.628 2.263 peak 1840 weight 1.00000E+00 volume 3.29498E+04 ppm1 4.883 ppm2 1.590
ASSI { 1489} (resid 22 and name HG2) (resid 19 and name HA) 3.242 0.813 1.324 peak 1489 weight 1.00000E+00 volume 1.25821E+05 ppm1 4.261 ppm2 1.461
ASSI { 1466} (resid 22 and name HA) (resid 22 and name HB2) 2.437 0.557 1.244 peak 1466 weight 1.00000E+00 volume 6.97267E+05 ppm1 2.140 ppm2 4.547
ASSI { 1467} (resid 22 and name HA) (resid 22 and name HB1) 2.641 0.632 1.264 peak 1467 weight 1.00000E+00 volume 4.30855E+05 ppm1 1.852 ppm2 4.553
ASSI { 1468} (resid 22 and name HB2) (resid 22 and name HB1) 1.819 0.00 2.182 peak 1468 weight 1.00000E+00 volume 4.03626E+06 ppm1 1.845 ppm2 2.150
ASSI { 1469} (resid 22 and name HB2) (resid 22 and name HB1) 1.822 0.00 2.182 peak 1469 weight 1.00000E+00 volume 3.99114E+06 ppm1 2.139 ppm2 1.860
ASSI { 1470} (resid 22 and name HA) (resid 22 and name HB2) 2.194 0.314 1.219 peak 1470 weight 1.00000E+00 volume 1.31166E+06 ppm1 4.543 ppm2 2.145
ASSI { 1471} (resid 22 and name HA) (resid 22 and name HB1) 2.282 0.402 1.228 peak 1471 weight 1.00000E+00 volume 1.03447E+06 ppm1 4.543 ppm2 1.824
ASSI { 1472} (resid 22 and name HA) (resid 22 and name HG2) 2.127 0.247 1.213 peak 1472 weight 1.00000E+00 volume 1.51497E+05 ppm1 4.541 ppm2 1.451
ASSI { 1473} (resid 22 and name HB1) (resid 22 and name HG2) 2.287 0.407 2.229 peak 1473 weight 1.00000E+00 volume 1.01840E+05 ppm1 1.843 ppm2 1.471
ASSI { 1474} (resid 22 and name HB2) (resid 22 and name HG2) 2.319 0.439 2.232 peak 1474 weight 1.00000E+00 volume 8.92698E+04 ppm1 2.142 ppm2 1.471
ASSI { 1475} (resid 22 and name HB2) (resid 22 and name HG2) 2.622 0.627 2.262 peak 1475 weight 1.00000E+00 volume 3.28949E+04 ppm1 1.431 ppm2 2.134
ASSI { 1477} (resid 22 and name HG2) (resid 22 and name HE2) 2.692 0.648 2.269 peak 1477 weight 1.00000E+00 volume 2.80741E+04 ppm1 1.431 ppm2 3.134
ASSI { 1480} (resid 22 and name HE1) (resid 22 and name HD2) 2.401 0.521 2.24 peak 1480 weight 1.00000E+00 volume 7.62416E+05 ppm1 1.777 ppm2 3.144
ASSI { 1481} (resid 22 and name HG2) (resid 22 and name HD2) 2.346 0.466 2.235 peak 1481 weight 1.00000E+00 volume 5.61986E+04 ppm1 1.779 ppm2 1.452
ASSI { 1482} (resid 22 and name HB2) (resid 22 and name HD2) 2.713 0.654 2.271 peak 1482 weight 1.00000E+00 volume 3.66387E+05 ppm1 1.778 ppm2 2.161
ASSI { 1485} (resid 22 and name HA) (resid 22 and name HD2) 2.946 0.724 2.295 peak 1485 weight 1.00000E+00 volume 1.11870E+04 ppm1 1.779 ppm2 4.544
ASSI { 1836} (resid 22 and name HA) (resid 22 and name HG2) 2.587 0.616 1.259 peak 1836 weight 1.00000E+00 volume 3.31313E+04 ppm1 1.436 ppm2 4.555
ASSI { 86} (resid 23 and name HA2) (resid 23 and name HA1) 2.027 0.147 0.203 peak 86 weight 1.00000E+00 volume 2.10617E+06 ppm1 4.031 ppm2 4.178
ASSI { 87} (resid 23 and name HA2) (resid 23 and name HA1) 1.927 0.047 0.193 peak 87 weight 1.00000E+00 volume 2.85792E+06 ppm1 4.171 ppm2 4.036
!resid 24 and name HB1
ASSI { 1479} (resid 22 and name HB1) (resid 22 and name HG2) 2.158 0.278 2.816 peak 1479 weight 1.00000E+00 volume 7.39965E+04 ppm1 1.437 ppm2 1.792
!ASSI { 1837} (resid 24 and name HG2) (resid 22 and name HG2) 2.673 0.802 2.267 peak 1837 weight 1.00000E+00 volume 4.00759E+05 ppm1 1.437 ppm2 1.170
!resid 24 and name HG2
ASSI { 1838} (resid 47 and name HG2#) (resid 22 and name HD2) 2.653 0.636 2.265 peak 1838 weight 1.00000E+00 volume 2.65554E+04 ppm1 1.778 ppm2 1.125
ASSI { 1442} (resid 24 and name HB2) (resid 24 and name HA) 2.437 0.557 1.244 peak 1442 weight 1.00000E+00 volume 6.98334E+05 ppm1 1.615 ppm2 4.320
ASSI { 1443} (resid 24 and name HB1) (resid 24 and name HA) 2.565 0.61 1.257 peak 1443 weight 1.00000E+00 volume 5.12687E+05 ppm1 1.772 ppm2 4.324
ASSI { 1449} (resid 24 and name HB2) (resid 24 and name HB1) 1.887 0.00 2.179 peak 1449 weight 1.00000E+00 volume 4.09259E+05 ppm1 1.615 ppm2 1.769
ASSI { 1450} (resid 24 and name HB2) (resid 24 and name HB1) 1.857 0.00 2.186 peak 1450 weight 1.00000E+00 volume 2.99383E+05 ppm1 1.774 ppm2 1.621
ASSI { 1451} (resid 24 and name HB2) (resid 24 and name HA) 2.206 0.326 1.221 peak 1451 weight 1.00000E+00 volume 1.26671E+06 ppm1 4.306 ppm2 1.640
ASSI { 1452} (resid 24 and name HD2) (resid 24 and name HB2) 2.731 0.659 2.273 peak 1452 weight 1.00000E+00 volume 2.45909E+04 ppm1 1.621 ppm2 1.354
ASSI { 1453} (resid 24 and name HG1) (resid 24 and name HB2) 2.606 0.622 2.261 peak 1453 weight 1.00000E+00 volume 4.66404E+05 ppm1 1.622 ppm2 1.244
ASSI { 1454} (resid 24 and name HG1) (resid 24 and name HB1) 2.495 0.588 2.249 peak 1454 weight 1.00000E+00 volume 6.05849E+05 ppm1 1.776 ppm2 1.234
ASSI { 1455} (resid 24 and name HD2) (resid 24 and name HB1) 2.603 0.621 2.26 peak 1455 weight 1.00000E+00 volume 4.69997E+05 ppm1 1.778 ppm2 1.350
ASSI { 1456} (resid 24 and name HD2) (resid 24 and name HA) 2.552 0.605 1.255 peak 1456 weight 1.00000E+00 volume 5.29548E+05 ppm1 4.310 ppm2 1.384
ASSI { 1458} (resid 24 and name HG1) (resid 24 and name HA) 2.768 0.671 1.277 peak 1458 weight 1.00000E+00 volume 1.88927E+04 ppm1 1.258 ppm2 4.303
ASSI { 1459} (resid 24 and name HG2) (resid 24 and name HA) 2.698 0.649 1.27 peak 1459 weight 1.00000E+00 volume 2.12228E+04 ppm1 1.158 ppm2 4.320
ASSI { 1460} (resid 24 and name HG2) (resid 24 and name HE2) 2.944 0.723 2.294 peak 1460 weight 1.00000E+00 volume 2.24448E+05 ppm1 1.158 ppm2 2.621
ASSI { 1461} (resid 24 and name HG1) (resid 24 and name HE2) 2.841 0.692 2.284 peak 1461 weight 1.00000E+00 volume 2.77779E+05 ppm1 1.260 ppm2 2.618
ASSI { 1463} (resid 24 and name HD2) (resid 24 and name HA) 2.597 0.619 1.26 peak 1463 weight 1.00000E+00 volume 4.76080E+05 ppm1 1.379 ppm2 4.335
ASSI { 1464} (resid 24 and name HD2) (resid 24 and name HE2) 2.357 0.477 2.236 peak 1464 weight 1.00000E+00 volume 7.66401E+04 ppm1 1.380 ppm2 2.644
ASSI { 1465} (resid 24 and name HD2) (resid 24 and name HB1) 3.014 0.744 2.301 peak 1465 weight 1.00000E+00 volume 2.87290E+04 ppm1 1.378 ppm2 1.783
ASSI { 1825} (resid 24 and name HG1) (resid 24 and name HD2) 2.600 0.62 2.26 peak 1825 weight 1.00000E+00 volume 4.72627E+05 ppm1 1.379 ppm2 1.233
ASSI { 1826} (resid 24 and name HG2) (resid 24 and name HD2) 3.346 0.844 2.335 peak 1826 weight 1.00000E+00 volume 3.77633E+04 ppm1 1.382 ppm2 1.140
ASSI { 1827} (resid 24 and name HG2) (resid 24 and name HE2) 2.428 0.548 2.243 peak 1827 weight 1.00000E+00 volume 7.55650E+04 ppm1 2.614 ppm2 1.193
ASSI { 1828} (resid 24 and name HD2) (resid 24 and name HE2) 2.080 0.2 2.208 peak 1828 weight 1.00000E+00 volume 2.21089E+05 ppm1 2.613 ppm2 1.400
ASSI { 1829} (resid 24 and name HB2) (resid 24 and name HE2) 3.482 0.885 2.348 peak 1829 weight 1.00000E+00 volume 3.48347E+04 ppm1 2.614 ppm2 1.655
ASSI { 1830} (resid 24 and name HB1) (resid 24 and name HE2) 3.002 0.741 2.3 peak 1830 weight 1.00000E+00 volume 4.74309E+04 ppm1 2.612 ppm2 1.765
ASSI { 1832} (resid 24 and name HA) (resid 24 and name HE2) 3.489 0.887 1.349 peak 1832 weight 1.00000E+00 volume 1.75452E+04 ppm1 2.613 ppm2 4.297
ASSI { 1834} (resid 24 and name HE2) (resid 49 and name HE#) 2.929 0.719 3.693 peak 1834 weight 1.00000E+00 volume 2.04065E+04 ppm1 2.615 ppm2 6.917
!ASSI { 1833} (resid 25 and name HA1) (resid 24 and name HE2) 3.280 0.824 1.328 peak 1833 weight 1.00000E+00 volume 1.17247E+05 ppm1 2.615 ppm2 4.407
ASSI { 71} (resid 25 and name HA2) (resid 25 and name HA1) 1.800 0.00 0.178 peak 71 weight 1.00000E+00 volume 5.43462E+05 ppm1 3.411 ppm2 4.418
ASSI { 72} (resid 25 and name HA2) (resid 25 and name HA1) 1.800 0.00 0.179 peak 72 weight 1.00000E+00 volume 4.87677E+05 ppm1 4.387 ppm2 3.433
ASSI { 1839} (resid 26 and name HG2) (resid 21 and name HA) 2.712 0.654 1.271 peak 1839 weight 1.00000E+00 volume 3.67208E+05 ppm1 4.884 ppm2 1.169
!ASSI { 1445} (resid 26 and name HE2) (resid 24 and name HB2) 3.006 0.902 2.301 peak 1445 weight 1.00000E+00 volume 1.65150E+04 ppm1 1.617 ppm2 2.862
!ASSI { 1446} (resid 26 and name HE2) (resid 24 and name HB1) 3.270 0.981 2.327 peak 1446 weight 1.00000E+00 volume 9.95595E+03 ppm1 1.772 ppm2 2.870
!ASSI { 1457} (resid 26 and name HG2) (resid 24 and name HA) 2.325 0.605 1.232 peak 1457 weight 1.00000E+00 volume 7.11420E+04 ppm1 4.307 ppm2 1.184
OR    {  1457}  (resid  24  and  name  HG1)   (resid  24  and  name  HA)
ASSI { 76} (resid 26 and name HE2) (resid 25 and name HA2) 2.658 0.637 2.266 peak 76 weight 1.00000E+00 volume 4.14123E+05 ppm1 3.408 ppm2 2.859
ASSI { 78} (resid 26 and name HE2) (resid 25 and name HA1) 2.693 0.648 2.269 peak 78 weight 1.00000E+00 volume 3.62909E+04 ppm1 4.384 ppm2 2.869
ASSI { 82} (resid 26 and name HG2) (resid 25 and name HA2) 2.398 0.418 1.24 peak 82 weight 1.00000E+00 volume 5.59555E+04 ppm1 3.411 ppm2 1.151
ASSI { 84} (resid 26 and name HG2) (resid 25 and name HA1) 2.548 0.604 1.255 peak 84 weight 1.00000E+00 volume 5.74135E+04 ppm1 4.386 ppm2 1.171
ASSI { 1412} (resid 26 and name HG2) (resid 26 and name HB2) 2.504 0.591 2.25 peak 1412 weight 1.00000E+00 volume 5.92098E+05 ppm1 1.763 ppm2 1.184
ASSI { 1413} (resid 26 and name HG2) (resid 26 and name HB1) 2.511 0.593 2.251 peak 1413 weight 1.00000E+00 volume 5.82837E+05 ppm1 1.642 ppm2 1.184
ASSI { 1414} (resid 26 and name HG1) (resid 26 and name HB1) 2.574 0.612 2.257 peak 1414 weight 1.00000E+00 volume 5.02015E+05 ppm1 1.644 ppm2 1.296
ASSI { 1415} (resid 26 and name HG1) (resid 26 and name HB2) 2.647 0.634 2.265 peak 1415 weight 1.00000E+00 volume 4.25043E+05 ppm1 1.764 ppm2 1.284
ASSI { 1416} (resid 26 and name HB2) (resid 26 and name HB1) 1.800 0.00 2.172 peak 1416 weight 1.00000E+00 volume 5.89161E+06 ppm1 1.767 ppm2 1.667
ASSI { 1417} (resid 26 and name HB2) (resid 26 and name HB1) 1.800 0.00 2.172 peak 1417 weight 1.00000E+00 volume 6.47234E+06 ppm1 1.642 ppm2 1.779
ASSI { 1418} (resid 26 and name HG2) (resid 26 and name HA) 2.489 0.587 1.249 peak 1418 weight 1.00000E+00 volume 6.14177E+05 ppm1 4.882 ppm2 1.176
ASSI { 1419} (resid 26 and name HG1) (resid 26 and name HA) 2.568 0.61 1.257 peak 1419 weight 1.00000E+00 volume 5.09607E+05 ppm1 4.882 ppm2 1.292
ASSI { 1420} (resid 26 and name HB1) (resid 26 and name HA) 2.206 0.326 1.221 peak 1420 weight 1.00000E+00 volume 7.67085E+04 ppm1 4.884 ppm2 1.636
ASSI { 1421} (resid 26 and name HB2) (resid 26 and name HA) 2.219 0.339 1.222 peak 1421 weight 1.00000E+00 volume 1.22265E+06 ppm1 4.882 ppm2 1.767
ASSI { 1424} (resid 26 and name HB2) (resid 26 and name HA) 2.356 0.476 1.236 peak 1424 weight 1.00000E+00 volume 9.14165E+04 ppm1 1.763 ppm2 4.891
ASSI { 1425} (resid 26 and name HB1) (resid 26 and name HA) 2.381 0.501 1.238 peak 1425 weight 1.00000E+00 volume 9.09932E+04 ppm1 1.638 ppm2 4.891
ASSI { 1426} (resid 26 and name HG2) (resid 26 and name HA) 2.667 0.64 1.267 peak 1426 weight 1.00000E+00 volume 3.27276E+04 ppm1 1.159 ppm2 4.893
ASSI { 1428} (resid 26 and name HG1) (resid 26 and name HA) 2.500 0.59 1.25 peak 1428 weight 1.00000E+00 volume 4.38098E+04 ppm1 1.268 ppm2 4.887
ASSI { 1429} (resid 26 and name HG2) (resid 26 and name HE2) 2.602 0.62 2.26 peak 1429 weight 1.00000E+00 volume 2.57881E+04 ppm1 1.158 ppm2 2.919
ASSI { 1430} (resid 26 and name HG1) (resid 26 and name HE2) 2.559 0.608 2.256 peak 1430 weight 1.00000E+00 volume 3.34098E+04 ppm1 1.265 ppm2 2.884
ASSI { 1431} (resid 26 and name HG2) (resid 26 and name HB2) 2.302 0.422 2.23 peak 1431 weight 1.00000E+00 volume 5.83004E+04 ppm1 1.157 ppm2 1.773
ASSI { 1432} (resid 26 and name HG1) (resid 26 and name HB2) 2.260 0.38 2.226 peak 1432 weight 1.00000E+00 volume 7.28680E+04 ppm1 1.262 ppm2 1.767
OR    {  1432}  (resid  26  and  name  HB2)   (resid  37  and  name  HG1)
ASSI { 1433} (resid 26 and name HA) (resid 26 and name HD2) 2.520 0.596 2.252 peak 1433 weight 1.00000E+00 volume 7.13352E+04 ppm1 1.548 ppm2 4.887
ASSI { 1435} (resid 26 and name HE2) (resid 26 and name HD2) 2.194 0.314 2.219 peak 1435 weight 1.00000E+00 volume 1.37019E+05 ppm1 1.551 ppm2 2.918
ASSI { 1436} (resid 26 and name HG2) (resid 26 and name HD2) 2.498 0.59 2.25 peak 1436 weight 1.00000E+00 volume 6.00768E+05 ppm1 1.548 ppm2 1.189
ASSI { 1437} (resid 26 and name HG1) (resid 26 and name HE2) 2.336 0.456 2.234 peak 1437 weight 1.00000E+00 volume 7.58670E+04 ppm1 2.909 ppm2 1.301
ASSI { 1438} (resid 26 and name HG2) (resid 26 and name HE2) 2.372 0.492 2.237 peak 1438 weight 1.00000E+00 volume 4.83683E+04 ppm1 2.909 ppm2 1.174
ASSI { 1439} (resid 26 and name HE2) (resid 26 and name HD2) 2.057 0.177 2.206 peak 1439 weight 1.00000E+00 volume 1.75365E+05 ppm1 2.912 ppm2 1.577
ASSI { 1440} (resid 26 and name HA) (resid 26 and name HE2) 3.056 0.757 1.306 peak 1440 weight 1.00000E+00 volume 1.79531E+05 ppm1 2.910 ppm2 4.897
ASSI { 1823} (resid 26 and name HG2) (resid 26 and name HB1) 2.187 0.307 2.219 peak 1823 weight 1.00000E+00 volume 7.18927E+04 ppm1 1.156 ppm2 1.598
ASSI { 1824} (resid 26 and name HG1) (resid 26 and name HB1) 2.138 0.258 2.214 peak 1824 weight 1.00000E+00 volume 1.26722E+05 ppm1 1.267 ppm2 1.607
ASSI { 1395} (resid 26 and name HG1) (resid 37 and name HB2) 2.459 0.578 2.246 peak 1395 weight 1.00000E+00 volume 4.28376E+04 ppm1 1.250 ppm2 1.751
OR    {  1395}  (resid  26  and  name  HG1)   (resid  26  and  name  HB2)
OR    {  1395}  (resid  26  and  name  HB2)   (resid  37  and  name  HG1)
OR    {  1395}  (resid  37  and  name  HB2)   (resid  37  and  name  HG1)
ASSI { 1036} (resid 26 and name HG2) (resid 40 and name HB2) 2.352 0.472 2.235 peak 1036 weight 1.00000E+00 volume 7.75347E+04 ppm1 3.612 ppm2 1.156
OR    {  1036}  (resid  72  and  name  HG1#)  (resid  40  and  name  HB2)
ASSI { 1037} (resid 26 and name HG2) (resid 40 and name HB1) 2.440 0.56 2.244 peak 1037 weight 1.00000E+00 volume 5.96655E+04 ppm1 3.693 ppm2 1.156
OR    {  1037}  (resid  72  and  name  HG1#)  (resid  40  and  name  HB1)
ASSI { 1776} (resid 26 and name HG1) (resid 40 and name HB1) 3.319 0.836 2.332 peak 1776 weight 1.00000E+00 volume 1.73169E+04 ppm1 3.692 ppm2 1.297
ASSI { 1777} (resid 26 and name HG1) (resid 40 and name HB2) 3.151 0.785 2.315 peak 1777 weight 1.00000E+00 volume 2.22057E+04 ppm1 3.611 ppm2 1.301
!resid 27 and name HB2
ASSI { 1854} (resid 16 and name HG1#) (resid 13 and name HD1#) 2.802 0.681 3.68 peak 1854 weight 1.00000E+00 volume 4.95952E+04 ppm1 0.673 ppm2 0.950
!resid 27 and name HB2
!ASSI { 1246} (resid 93 and name HG2) (resid 15 and name HA) 2.470 0.741 1.247 peak 1246 weight 1.00000E+00 volume 6.44124E+05 ppm1 4.177 ppm2 0.984
ASSI { 1229} (resid 27 and name HG) (resid 16 and name HG1#) 4.325 1.138 1.433 peak 1229 weight 1.00000E+00 volume 3.88038E+04 ppm1 1.204 ppm2 0.468
!increased bound by 1A
ASSI { 1237} (resid 27 and name HG) (resid 16 and name HG2#) 2.383 0.503 2.238 peak 1237 weight 1.00000E+00 volume 7.97532E+05 ppm1 0.900 ppm2 0.428
!increased bound by 1A
!ASSI  {  1850}  (resid  27  and  name  HG)    (resid  17  and  name  HA)    2.639  0.792  1.264  peak  1850  weight  1.00000E+00  volume  5.00939E+04   ppm1  4.512  ppm2  0.435
!resid 27 and name HD2#. resid 20 and name HG.
ASSI { 1163} (resid 27 and name HD2#) (resid 75 and name HB) 2.391 0.511 2.639 peak 1163 weight 1.00000E+00 volume 7.81741E+05 ppm1 0.627 ppm2 1.448
!ASSI  {  1178}  (resid  27  and  name  HG)    (resid  20  and  name  HA)    2.825  0.848  0.283  peak  1178  weight  1.00000E+00  volume  2.87468E+05   ppm1  4.243  ppm2  0.442
ASSI { 1183} (resid 27 and name HG) (resid 20 and name HB1) 2.534 0.534 1.253 peak 1183 weight 1.00000E+00 volume 4.39849E+04 ppm1 1.650 ppm2 0.437
ASSI { 1184} (resid 27 and name HG) (resid 20 and name HB2) 2.516 0.516 1.252 peak 1184 weight 1.00000E+00 volume 5.76211E+05 ppm1 1.757 ppm2 0.424
!increased bound by 2A
ASSI { 1192} (resid 27 and name HG) (resid 20 and name HG) 2.000 0.00 3.200 peak 1192 weight 1.00000E+00 volume 5.20035E+05 ppm1 1.402 ppm2 0.431
ASSI { 1195} (resid 27 and name HG) (resid 20 and name HD1#) 2.041 0.081 3.504 peak 1195 weight 1.00000E+00 volume 2.02360E+06 ppm1 0.022 ppm2 0.449
ASSI { 1196} (resid 27 and name HB2) (resid 20 and name HD1#) 2.094 0.094 4.509 peak 1196 weight 1.00000E+00 volume 1.45564E+05 ppm1 0.020 ppm2 0.996
ASSI { 1135} (resid 27 and name HA) (resid 27 and name HB2) 2.662 0.639 1.266 peak 1135 weight 1.00000E+00 volume 4.10256E+05 ppm1 0.977 ppm2 4.696
ASSI { 1136} (resid 27 and name HA) (resid 27 and name HB1) 2.769 0.671 1.277 peak 1136 weight 1.00000E+00 volume 3.23938E+05 ppm1 1.735 ppm2 4.681
ASSI { 1140} (resid 27 and name HA) (resid 27 and name HB1) 2.447 0.567 1.245 peak 1140 weight 1.00000E+00 volume 6.47513E+04 ppm1 4.675 ppm2 1.739
ASSI { 1141} (resid 27 and name HA) (resid 27 and name HD1#) 2.398 0.518 3.54 peak 1141 weight 1.00000E+00 volume 9.66852E+04 ppm1 4.674 ppm2 1.168
ASSI { 1142} (resid 27 and name HA) (resid 27 and name HB2) 2.212 0.332 1.221 peak 1142 weight 1.00000E+00 volume 1.24764E+06 ppm1 4.675 ppm2 0.995
ASSI { 1143} (resid 27 and name HA) (resid 27 and name HD2#) 2.143 0.263 2.614 peak 1143 weight 1.00000E+00 volume 1.50769E+06 ppm1 4.675 ppm2 0.646
ASSI { 1144} (resid 27 and name HB2) (resid 27 and name HG) 2.559 0.608 1.256 peak 1144 weight 1.00000E+00 volume 5.20930E+05 ppm1 0.977 ppm2 0.377
ASSI { 1145} (resid 27 and name HB2) (resid 27 and name HD2#) 2.764 0.669 3.676 peak 1145 weight 1.00000E+00 volume 2.15491E+04 ppm1 0.978 ppm2 0.638
ASSI { 1146} (resid 27 and name HA) (resid 27 and name HG) 2.932 0.72 0.293 peak 1146 weight 1.00000E+00 volume 2.17471E+04 ppm1 4.678 ppm2 0.372
ASSI { 1147} (resid 27 and name HB2) (resid 27 and name HD1#) 2.393 0.513 4.539 peak 1147 weight 1.00000E+00 volume 5.27903E+04 ppm1 0.982 ppm2 1.173
ASSI { 1148} (resid 27 and name HB2) (resid 27 and name HB1) 2.021 0.141 2.202 peak 1148 weight 1.00000E+00 volume 1.19586E+05 ppm1 0.980 ppm2 1.744
ASSI { 1150} (resid 27 and name HB1) (resid 27 and name HD1#) 2.423 0.543 4.542 peak 1150 weight 1.00000E+00 volume 4.79527E+04 ppm1 1.734 ppm2 1.180
ASSI { 1151} (resid 27 and name HB2) (resid 27 and name HB1) 1.974 0.094 2.197 peak 1151 weight 1.00000E+00 volume 1.56537E+05 ppm1 1.734 ppm2 0.982
ASSI { 1152} (resid 27 and name HB1) (resid 27 and name HD2#) 2.897 0.709 3.69 peak 1152 weight 1.00000E+00 volume 2.47012E+05 ppm1 1.736 ppm2 0.651
ASSI { 1153} (resid 27 and name HB1) (resid 27 and name HG) 2.439 0.559 1.244 peak 1153 weight 1.00000E+00 volume 6.94132E+05 ppm1 1.730 ppm2 0.390
ASSI { 1155} (resid 27 and name HG) (resid 27 and name HD1#) 2.339 0.459 3.534 peak 1155 weight 1.00000E+00 volume 8.00901E+04 ppm1 1.164 ppm2 0.367
ASSI { 1156} (resid 27 and name HD1#) (resid 27 and name HD2#) 1.974 0.094 5.897 peak 1156 weight 1.00000E+00 volume 6.32177E+04 ppm1 1.162 ppm2 0.677
ASSI { 1157} (resid 27 and name HB2) (resid 27 and name HD1#) 2.662 0.639 4.566 peak 1157 weight 1.00000E+00 volume 7.91727E+04 ppm1 1.159 ppm2 0.988
ASSI { 1158} (resid 27 and name HB1) (resid 27 and name HD1#) 2.447 0.567 4.545 peak 1158 weight 1.00000E+00 volume 5.63727E+04 ppm1 1.164 ppm2 1.739
ASSI { 1159} (resid 27 and name HA) (resid 27 and name HD1#) 2.814 0.684 3.581 peak 1159 weight 1.00000E+00 volume 2.92450E+04 ppm1 1.164 ppm2 4.691
ASSI { 1160} (resid 27 and name HG) (resid 27 and name HD2#) 1.964 0.084 2.596 peak 1160 weight 1.00000E+00 volume 5.97496E+05 ppm1 0.624 ppm2 0.368
ASSI { 1161} (resid 27 and name HB2) (resid 27 and name HD2#) 1.981 0.101 3.598 peak 1161 weight 1.00000E+00 volume 2.41798E+06 ppm1 0.626 ppm2 0.998
ASSI { 1162} (resid 27 and name HD1#) (resid 27 and name HD2#) 1.841 0.00 5.874 peak 1162 weight 1.00000E+00 volume 5.24539E+06 ppm1 0.624 ppm2 1.163
ASSI { 1164} (resid 27 and name HB1) (resid 27 and name HD2#) 2.289 0.409 3.629 peak 1164 weight 1.00000E+00 volume 1.01516E+06 ppm1 0.624 ppm2 1.748
ASSI { 1168} (resid 27 and name HA) (resid 27 and name HD2#) 2.028 0.148 2.603 peak 1168 weight 1.00000E+00 volume 2.10169E+06 ppm1 0.628 ppm2 4.692
ASSI { 1813} (resid 27 and name HG) (resid 27 and name HD2#) 2.250 0.37 2.625 peak 1813 weight 1.00000E+00 volume 2.05341E+05 ppm1 0.363 ppm2 0.657
ASSI { 1815} (resid 27 and name HB2) (resid 27 and name HG) 2.131 0.251 1.213 peak 1815 weight 1.00000E+00 volume 2.17422E+05 ppm1 0.368 ppm2 1.000
ASSI { 1816} (resid 27 and name HG) (resid 27 and name HD1#) 2.080 0.2 3.508 peak 1816 weight 1.00000E+00 volume 1.90519E+05 ppm1 0.363 ppm2 1.177
ASSI { 1817} (resid 27 and name HB1) (resid 27 and name HG) 2.212 0.332 1.221 peak 1817 weight 1.00000E+00 volume 1.24703E+06 ppm1 0.363 ppm2 1.749
ASSI { 1820} (resid 27 and name HA) (resid 27 and name HG) 2.857 0.697 0.286 peak 1820 weight 1.00000E+00 volume 2.64838E+04 ppm1 0.366 ppm2 4.687
ASSI { 1818} (resid 27 and name HG) (resid 66 and name HZ) 3.118 0.775 2.312 peak 1818 weight 1.00000E+00 volume 1.41642E+04 ppm1 0.363 ppm2 6.427
ASSI { 1819} (resid 27 and name HG) (resid 66 and name HE#) 2.989 0.737 2.699 peak 1819 weight 1.00000E+00 volume 1.71892E+04 ppm1 0.366 ppm2 6.728
ASSI { 595} (resid 27 and name HD2#) (resid 75 and name HG2#) 2.468 0.58 4.147 peak 595 weight 1.00000E+00 volume 1.20967E+05 ppm1 0.261 ppm2 0.651
ASSI { 546} (resid 27 and name HD2#) (resid 76 and name HB2) 2.507 0.592 3.651 peak 546 weight 1.00000E+00 volume 5.89114E+05 ppm1 3.596 ppm2 0.636
ASSI { 547} (resid 27 and name HG) (resid 76 and name HB2) 3.155 0.786 1.315 peak 547 weight 1.00000E+00 volume 1.07203E+04 ppm1 3.595 ppm2 0.388
OR    {  547}   (resid  76  and  name  HB2)   (resid  79  and  name  HD1#)
ASSI { 549} (resid 27 and name HD2#) (resid 76 and name HB1) 2.649 0.635 3.665 peak 549 weight 1.00000E+00 volume 4.22774E+05 ppm1 3.513 ppm2 0.636
!removed, spin diffusion
!ASSI  {  1812}  (resid  28  and  name  HA)    (resid  27  and  name  HG)    3.190  0.957  0.319  peak  1812  weight  1.00000E+00  volume  9.13212E+03   ppm1  4.696  ppm2  0.425
ASSI { 1127} (resid 28 and name HB2) (resid 28 and name HB1) 1.800 0.00 2.172 peak 1127 weight 1.00000E+00 volume 8.17526E+05 ppm1 3.594 ppm2 3.461
ASSI { 1128} (resid 28 and name HB2) (resid 28 and name HB1) 1.800 0.00 2.172 peak 1128 weight 1.00000E+00 volume 6.82297E+06 ppm1 3.451 ppm2 3.622
ASSI { 1129} (resid 28 and name HA) (resid 28 and name HB2) 2.224 0.264 1.222 peak 1129 weight 1.00000E+00 volume 1.20814E+06 ppm1 3.594 ppm2 4.704
ASSI { 1130} (resid 28 and name HA) (resid 28 and name HB1) 2.253 0.293 1.225 peak 1130 weight 1.00000E+00 volume 1.47959E+05 ppm1 3.447 ppm2 4.704
ASSI { 1131} (resid 28 and name HA) (resid 28 and name HB2) 2.189 0.229 1.219 peak 1131 weight 1.00000E+00 volume 1.01061E+05 ppm1 4.696 ppm2 3.608
ASSI { 1132} (resid 28 and name HA) (resid 28 and name HB1) 2.229 0.249 1.223 peak 1132 weight 1.00000E+00 volume 9.72239E+04 ppm1 4.698 ppm2 3.464
ASSI { 1111} (resid 28 and name HA) (resid 29 and name HD1#) 3.259 0.818 2.726 peak 1111 weight 1.00000E+00 volume 1.22020E+05 ppm1 0.758 ppm2 4.715
ASSI { 1119} (resid 28 and name HA) (resid 29 and name HD2#) 2.811 0.683 2.681 peak 1119 weight 1.00000E+00 volume 2.65250E+04 ppm1 0.715 ppm2 4.698
ASSI { 1808} (resid 28 and name HA) (resid 29 and name HG) 3.043 0.753 0.304 peak 1808 weight 1.00000E+00 volume 1.73639E+04 ppm1 4.699 ppm2 1.578
!resid 29 and name HB2.
!ASSI { 1809} (resid 28 and name HA) (resid 27 and name HB2) 3.154 0.946 1.315 peak 1809 weight 1.00000E+00 volume 1.00385E+04 ppm1 4.699 ppm2 1.782
ASSI { 1811} (resid 28 and name HA) (resid 29 and name HD2#) 2.955 0.726 2.695 peak 1811 weight 1.00000E+00 volume 2.19529E+05 ppm1 4.697 ppm2 0.753
OR    {  1811}  (resid  28  and  name  HA)    (resid  29  and  name  HD1#)
ASSI { 1810} (resid 28 and name HA) (resid 39 and name HG1) 2.834 0.69 1.500 peak 1810 weight 1.00000E+00 volume 2.13445E+04 ppm1 4.697 ppm2 1.170
OR    {  1810}  (resid  28  and  name  HA)    (resid  27  and  name  HD1#)
ASSI { 1113} (resid 29 and name HD1#) (resid 13 and name HA) 3.183 0.795 2.718 peak 1113 weight 1.00000E+00 volume 1.17283E+04 ppm1 0.759 ppm2 3.774
ASSI { 1114} (resid 29 and name HD1#) (resid 13 and name HB) 3.618 0.925 2.762 peak 1114 weight 1.00000E+00 volume 6.51217E+04 ppm1 0.759 ppm2 2.009
ASSI { 1267} (resid 29 and name HB2) (resid 13 and name HG2#) 2.454 0.574 2.745 peak 1267 weight 1.00000E+00 volume 9.99793E+04 ppm1 0.720 ppm2 1.826
ASSI { 1103} (resid 29 and name HD1#) (resid 16 and name HG1#) 2.387 0.507 3.639 peak 1103 weight 1.00000E+00 volume 7.89984E+05 ppm1 0.760 ppm2 1.183
OR    {  1103}  (resid  29  and  name  HD1#)  (resid  27  and  name  HD1#)
ASSI { 1115} (resid 29 and name HD1#) (resid 16 and name HB) 3.188 0.796 2.719 peak 1115 weight 1.00000E+00 volume 9.03795E+03 ppm1 0.759 ppm2 2.318
ASSI { 1112} (resid 29 and name HD1#) (resid 17 and name HA) 3.329 0.839 2.733 peak 1112 weight 1.00000E+00 volume 1.07198E+04 ppm1 0.757 ppm2 4.530
ASSI { 1120} (resid 29 and name HD2#) (resid 17 and name HA) 3.411 0.863 2.741 peak 1120 weight 1.00000E+00 volume 1.67322E+04 ppm1 0.717 ppm2 4.535
ASSI { 1096} (resid 29 and name HG) (resid 27 and name HG) 2.801 0.68 2.280 peak 1096 weight 1.00000E+00 volume 2.71125E+04 ppm1 1.567 ppm2 0.406
ASSI { 1102} (resid 29 and name HD1#) (resid 27 and name HG) 2.749 0.665 3.575 peak 1102 weight 1.00000E+00 volume 7.56596E+04 ppm1 0.760 ppm2 0.378
ASSI { 1125} (resid 29 and name HD2#) (resid 27 and name HD1#) 1.999 0.119 5.9 peak 1125 weight 1.00000E+00 volume 2.28730E+06 ppm1 0.717 ppm2 1.129
OR    {  1125}  (resid  29  and  name  HD2#)  (resid  36  and  name  HB1)
ASSI { 1126} (resid 29 and name HD2#) (resid 27 and name HG) 2.120 0.24 2.612 peak 1126 weight 1.00000E+00 volume 3.53800E+05 ppm1 0.717 ppm2 0.407
ASSI { 1814} (resid 29 and name HD1#) (resid 27 and name HG) 2.436 0.556 3.544 peak 1814 weight 1.00000E+00 volume 8.10337E+04 ppm1 0.363 ppm2 0.776
ASSI { 1121} (resid 29 and name HD2#) (resid 28 and name HB2) 2.885 0.705 3.688 peak 1121 weight 1.00000E+00 volume 3.39761E+04 ppm1 0.717 ppm2 3.564
ASSI { 1080} (resid 29 and name HB2) (resid 29 and name HB1) 2.007 0.127 2.201 peak 1080 weight 1.00000E+00 volume 2.03657E+05 ppm1 1.288 ppm2 1.824
ASSI { 1081} (resid 29 and name HB2) (resid 29 and name HB1) 1.902 0.022 2.19 peak 1081 weight 1.00000E+00 volume 2.92614E+05 ppm1 1.816 ppm2 1.306
ASSI { 1083} (resid 29 and name HD2#) (resid 29 and name HB2) 2.061 0.181 3.606 peak 1083 weight 1.00000E+00 volume 1.54893E+05 ppm1 1.819 ppm2 0.751
OR    {  1083}  (resid  29  and  name  HD1#)  (resid  29  and  name  HB2)
ASSI { 1084} (resid 29 and name HD2#) (resid 29 and name HB1) 2.274 0.394 3.627 peak 1084 weight 1.00000E+00 volume 8.31743E+04 ppm1 1.288 ppm2 0.756
OR    {  1084}  (resid  29  and  name  HD1#)  (resid  29  and  name  HB1)
ASSI { 1086} (resid 29 and name HB1) (resid 29 and name HG) 2.823 0.687 1.282 peak 1086 weight 1.00000E+00 volume 2.84703E+04 ppm1 1.289 ppm2 1.575
ASSI { 1087} (resid 29 and name HB2) (resid 29 and name HG) 2.563 0.609 1.256 peak 1087 weight 1.00000E+00 volume 5.15523E+05 ppm1 1.818 ppm2 1.596
ASSI { 1088} (resid 29 and name HB1) (resid 29 and name HA) 2.626 0.628 1.263 peak 1088 weight 1.00000E+00 volume 4.45146E+05 ppm1 1.288 ppm2 5.291
ASSI { 1089} (resid 29 and name HB2) (resid 29 and name HA) 2.648 0.634 1.265 peak 1089 weight 1.00000E+00 volume 4.23757E+05 ppm1 1.823 ppm2 5.291
ASSI { 1090} (resid 29 and name HD1#) (resid 29 and name HA) 2.151 0.271 3.515 peak 1090 weight 1.00000E+00 volume 1.47732E+06 ppm1 5.283 ppm2 0.737
ASSI { 1093} (resid 29 and name HB1) (resid 29 and name HA) 2.334 0.454 1.233 peak 1093 weight 1.00000E+00 volume 9.69227E+04 ppm1 5.283 ppm2 1.313
ASSI { 1094} (resid 29 and name HA) (resid 29 and name HG) 2.731 0.659 0.273 peak 1094 weight 1.00000E+00 volume 3.66811E+04 ppm1 5.283 ppm2 1.583
ASSI { 1095} (resid 29 and name HB2) (resid 29 and name HA) 2.498 0.589 1.25 peak 1095 weight 1.00000E+00 volume 6.03174E+04 ppm1 5.283 ppm2 1.815
ASSI { 1097} (resid 29 and name HD1#) (resid 29 and name HG) 2.098 0.218 3.51 peak 1097 weight 1.00000E+00 volume 1.71492E+06 ppm1 1.565 ppm2 0.762
ASSI { 1099} (resid 29 and name HB1) (resid 29 and name HG) 2.680 0.644 1.268 peak 1099 weight 1.00000E+00 volume 3.94406E+05 ppm1 1.563 ppm2 1.294
ASSI { 1100} (resid 29 and name HB2) (resid 29 and name HG) 2.497 0.589 1.25 peak 1100 weight 1.00000E+00 volume 6.03488E+05 ppm1 1.563 ppm2 1.825
ASSI { 1101} (resid 29 and name HA) (resid 29 and name HG) 2.786 0.676 0.279 peak 1101 weight 1.00000E+00 volume 2.72921E+04 ppm1 1.567 ppm2 5.292
ASSI { 1104} (resid 29 and name HD1#) (resid 29 and name HB1) 2.282 0.402 4.528 peak 1104 weight 1.00000E+00 volume 1.03460E+06 ppm1 0.762 ppm2 1.291
ASSI { 1105} (resid 29 and name HD1#) (resid 29 and name HG) 2.118 0.238 3.512 peak 1105 weight 1.00000E+00 volume 1.62037E+06 ppm1 0.759 ppm2 1.588
ASSI { 1106} (resid 29 and name HD1#) (resid 29 and name HB2) 2.178 0.298 4.518 peak 1106 weight 1.00000E+00 volume 1.36767E+06 ppm1 0.762 ppm2 1.825
ASSI { 1107} (resid 29 and name HD1#) (resid 29 and name HA) 2.675 0.642 3.567 peak 1107 weight 1.00000E+00 volume 3.99112E+05 ppm1 0.760 ppm2 5.306
ASSI { 1118} (resid 29 and name HD2#) (resid 29 and name HA) 1.879 0.00 2.588 peak 1118 weight 1.00000E+00 volume 3.32145E+06 ppm1 0.720 ppm2 5.320
ASSI { 1122} (resid 29 and name HD2#) (resid 29 and name HB2) 2.339 0.459 3.634 peak 1122 weight 1.00000E+00 volume 1.37340E+05 ppm1 0.717 ppm2 1.824
ASSI { 1123} (resid 29 and name HD2#) (resid 29 and name HG) 1.978 0.098 2.598 peak 1123 weight 1.00000E+00 volume 2.43908E+06 ppm1 0.718 ppm2 1.598
ASSI { 1124} (resid 29 and name HD2#) (resid 29 and name HB1) 2.100 0.22 3.61 peak 1124 weight 1.00000E+00 volume 1.70477E+06 ppm1 0.719 ppm2 1.313
ASSI { 1082} (resid 29 and name HB2) (resid 36 and name HD1#) 2.572 0.612 4.557 peak 1082 weight 1.00000E+00 volume 4.48758E+04 ppm1 1.816 ppm2 0.941
OR    {  1082}  (resid  29  and  name  HB2)   (resid  27  and  name  HB2)
ASSI { 1085} (resid 29 and name HB1) (resid 36 and name HD1#) 2.662 0.638 4.566 peak 1085 weight 1.00000E+00 volume 3.89448E+04 ppm1 1.288 ppm2 0.941
OR    {  1085}  (resid  29  and  name  HB1)   (resid  27  and  name  HB2)
ASSI { 1807} (resid 29 and name HB2) (resid 36 and name HD2#) 2.285 0.405 3.629 peak 1807 weight 1.00000E+00 volume 1.02592E+06 ppm1 1.832 ppm2 1.146
OR    {  1807}  (resid  29  and  name  HB2)   (resid  36  and  name  HB1)
ASSI { 1116} (resid 29 and name HD1#) (resid 66 and name HZ) 3.532 0.9 2.753 peak 1116 weight 1.00000E+00 volume 7.52015E+04 ppm1 0.758 ppm2 6.424
ASSI { 1117} (resid 29 and name HD1#) (resid 66 and name HE#) 3.466 0.88 5.147 peak 1117 weight 1.00000E+00 volume 8.42599E+04 ppm1 0.757 ppm2 6.725
ASSI { 1079} (resid 30 and name HA) (resid 13 and name HG2#) 2.255 0.245 1.726 peak 1079 weight 1.00000E+00 volume 1.15892E+05 ppm1 4.489 ppm2 0.750
OR    {  1079}  (resid  29  and  name  HD1#)  (resid  30  and  name  HA)
!increased bound 2A
ASSI { 1800} (resid 30 and name HA) (resid 29 and name HA) 3.050 0.755 2.305 peak 1800 weight 1.00000E+00 volume 1.81472E+05 ppm1 4.489 ppm2 5.338
ASSI { 1076} (resid 30 and name HA) (resid 30 and name HB2) 2.314 0.334 1.231 peak 1076 weight 1.00000E+00 volume 9.52462E+05 ppm1 3.774 ppm2 4.521
ASSI { 1077} (resid 30 and name HA) (resid 30 and name HB1) 2.320 0.34 1.232 peak 1077 weight 1.00000E+00 volume 9.36870E+05 ppm1 3.736 ppm2 4.502
ASSI { 1078} (resid 30 and name HA) (resid 30 and name HB1) 1.825 0.00 1.182 peak 1078 weight 1.00000E+00 volume 3.95794E+06 ppm1 4.489 ppm2 3.757
!ASSI { 1856} (resid 31 and name HB2) (resid 13 and name HD1#) 2.595 0.778 2.759 peak 1856 weight 1.00000E+00 volume 4.72985E+04 ppm1 0.677 ppm2 2.246
!ASSI { 1857} (resid 31 and name HB1) (resid 13 and name HD1#) 2.593 0.778 2.759 peak 1857 weight 1.00000E+00 volume 3.26099E+04 ppm1 0.676 ppm2 2.415
ASSI { 1065} (resid 31 and name HA) (resid 31 and name HB1) 3.217 0.805 1.322 peak 1065 weight 1.00000E+00 volume 1.31559E+04 ppm1 2.485 ppm2 5.350
ASSI { 1066} (resid 31 and name HA) (resid 31 and name HB2) 3.063 0.759 1.306 peak 1066 weight 1.00000E+00 volume 1.62042E+04 ppm1 2.240 ppm2 5.350
ASSI { 1067} (resid 31 and name HA) (resid 31 and name HB2) 2.886 0.706 1.289 peak 1067 weight 1.00000E+00 volume 2.52913E+05 ppm1 5.339 ppm2 2.251
ASSI { 1070} (resid 31 and name HA) (resid 31 and name HB1) 3.249 0.815 1.325 peak 1070 weight 1.00000E+00 volume 1.24144E+05 ppm1 5.349 ppm2 2.484
ASSI { 1074} (resid 31 and name HB2) (resid 31 and name HB1) 2.076 0.196 2.208 peak 1074 weight 1.00000E+00 volume 1.63508E+05 ppm1 2.492 ppm2 2.266
ASSI { 1075} (resid 31 and name HB2) (resid 31 and name HB1) 2.355 0.475 2.236 peak 1075 weight 1.00000E+00 volume 1.07427E+05 ppm1 2.250 ppm2 2.500
ASSI { 1068} (resid 31 and name HA) (resid 35 and name HB1) 2.445 0.565 1.245 peak 1068 weight 1.00000E+00 volume 7.04850E+04 ppm1 5.339 ppm2 2.063
ASSI { 1069} (resid 31 and name HA) (resid 36 and name HB2) 2.616 0.625 2.262 peak 1069 weight 1.00000E+00 volume 4.55972E+05 ppm1 5.344 ppm2 1.857
!HD1# changed to 2#
ASSI { 1593} (resid 31 and name HA) (resid 36 and name HD2#) 2.434 0.554 2.643 peak 1593 weight 1.00000E+00 volume 8.20832E+04 ppm1 0.937 ppm2 5.332
OR    {  1593}  (resid  36  and  name  HD2#)  (resid  29  and  name  HA)
ASSI { 188} (resid 32 and name HA) (resid 32 and name HB2) 2.510 0.593 1.251 peak 188 weight 1.00000E+00 volume 3.48304E+04 ppm1 2.553 ppm2 4.911
ASSI { 191} (resid 32 and name HA) (resid 32 and name HB1) 2.244 0.364 1.224 peak 191 weight 1.00000E+00 volume 1.36815E+05 ppm1 4.899 ppm2 2.834
ASSI { 192} (resid 32 and name HA) (resid 32 and name HB2) 2.092 0.212 1.209 peak 192 weight 1.00000E+00 volume 1.74244E+06 ppm1 4.896 ppm2 2.552
ASSI { 193} (resid 32 and name HB2) (resid 32 and name HB1) 1.873 0.00 2.187 peak 193 weight 1.00000E+00 volume 3.38235E+06 ppm1 2.551 ppm2 2.837
ASSI { 194} (resid 32 and name HB2) (resid 32 and name HB1) 1.800 0.00 2.179 peak 194 weight 1.00000E+00 volume 4.47166E+06 ppm1 2.813 ppm2 2.539
ASSI { 1686} (resid 33 and name HA2) (resid 33 and name HA1) 2.047 0.167 0.205 peak 1686 weight 1.00000E+00 volume 1.98570E+06 ppm1 3.642 ppm2 4.009
ASSI { 1687} (resid 33 and name HA2) (resid 33 and name HA1) 2.418 0.538 0.242 peak 1687 weight 1.00000E+00 volume 6.78367E+04 ppm1 3.984 ppm2 3.658
ASSI { 185} (resid 34 and name HB2) (resid 34 and name HA) 2.282 0.402 1.228 peak 185 weight 1.00000E+00 volume 8.64846E+04 ppm1 4.601 ppm2 2.803
ASSI { 186} (resid 34 and name HB1) (resid 34 and name HA) 2.474 0.582 1.247 peak 186 weight 1.00000E+00 volume 4.99475E+04 ppm1 4.600 ppm2 2.711
ASSI { 1795} (resid 34 and name HB1) (resid 34 and name HA) 2.703 0.651 1.27 peak 1795 weight 1.00000E+00 volume 4.05332E+04 ppm1 2.738 ppm2 4.600
ASSI { 1796} (resid 34 and name HB2) (resid 34 and name HA) 2.530 0.599 1.253 peak 1796 weight 1.00000E+00 volume 3.26744E+04 ppm1 2.812 ppm2 4.614
ASSI { 1073} (resid 35 and name HB1) (resid 31 and name HB1) 2.280 0.4 2.228 peak 1073 weight 1.00000E+00 volume 8.68702E+04 ppm1 2.491 ppm2 2.074
ASSI { 1789} (resid 35 and name HG1) (resid 35 and name HA) 2.438 0.558 1.244 peak 1789 weight 1.00000E+00 volume 4.98138E+04 ppm1 4.664 ppm2 2.177
ASSI { 1790} (resid 35 and name HB1) (resid 35 and name HA) 2.348 0.468 1.235 peak 1790 weight 1.00000E+00 volume 8.26626E+04 ppm1 4.664 ppm2 2.056
ASSI { 1791} (resid 35 and name HB2) (resid 35 and name HA) 2.393 0.513 1.239 peak 1791 weight 1.00000E+00 volume 5.72262E+04 ppm1 4.665 ppm2 1.934
!if this ASSI only doesnt work, remove this. I cant handle this anymore REMOVED.
!ASSI { 1793} (resid 35 and name HA) (resid 84 and name HG2#) 2.805 0.841 1.78 peak 1793 weight 1.00000E+00 volume 3.00087E+05 ppm1 4.664 ppm2 0.812
!OR    {  1793}  (resid  36  and  name  HG)    (resid  35  and  name  HA)
!OR    {  1793}  (resid  35  and  name  HA)    (resid  84  and  name  HD1#)
ASSI { 1091} (resid 36 and name HD1#) (resid 29 and name HA) 3.260 0.818 3.626 peak 1091 weight 1.00000E+00 volume 1.21747E+05 ppm1 5.283 ppm2 0.954
OR    {  1091}  (resid  29  and  name  HA)    (resid  27  and  name  HB2)
ASSI { 1092} (resid 36 and name HD2#) (resid 29 and name HA) 2.870 0.701 2.687 peak 1092 weight 1.00000E+00 volume 3.52418E+04 ppm1 5.284 ppm2 1.149
OR    {  1092}  (resid  36  and  name  HB1)   (resid  29  and  name  HA)
!resid 36 and name HD2#
ASSI { 1098} (resid 27 and name HD2#) (resid 29 and name HG) 2.715 0.655 2.672 peak 1098 weight 1.00000E+00 volume 3.22455E+04 ppm1 1.565 ppm2 1.177
!bound increased 1A
!ASSI  {  1786}  (resid  36  and  name  HA)    (resid  30  and  name  HA)    2.669  0.801  1.267  peak  1786  weight  1.00000E+00  volume  3.25595E+04   ppm1  4.777  ppm2  4.459
!OR    {  1786}  (resid  83  and  name  HA)    (resid  36  and  name  HA)
ASSI { 1064} (resid 36 and name HA) (resid 31 and name HA) 2.654 0.636 0.265 peak 1064 weight 1.00000E+00 volume 3.51864E+04 ppm1 5.349 ppm2 4.792
!ASSI { 1072} (resid 36 and name HB2) (resid 31 and name HB1) 2.317 0.597 2.232 peak 1072 weight 1.00000E+00 volume 8.25109E+04 ppm1 2.487 ppm2 1.866
ASSI { 1787} (resid 36 and name HA) (resid 31 and name HA) 2.829 0.689 0.283 peak 1787 weight 1.00000E+00 volume 2.85060E+05 ppm1 4.780 ppm2 5.347
ASSI { 1570} (resid 36 and name HG) (resid 36 and name HB1) 2.353 0.473 1.235 peak 1570 weight 1.00000E+00 volume 8.61524E+05 ppm1 1.118 ppm2 0.828
ASSI { 1571} (resid 36 and name HG) (resid 36 and name HB2) 2.413 0.533 1.241 peak 1571 weight 1.00000E+00 volume 7.39348E+05 ppm1 1.848 ppm2 0.843
ASSI { 1572} (resid 36 and name HD2#) (resid 36 and name HB2) 2.162 0.282 3.616 peak 1572 weight 1.00000E+00 volume 1.23679E+05 ppm1 1.846 ppm2 1.118
OR    {  1572}  (resid  36  and  name  HB2)   (resid  36  and  name  HB1)
ASSI { 1579} (resid 36 and name HD2#) (resid 36 and name HG) 2.729 0.659 2.673 peak 1579 weight 1.00000E+00 volume 3.53911E+05 ppm1 0.832 ppm2 1.126
ASSI { 1582} (resid 36 and name HG) (resid 36 and name HB2) 2.121 0.241 1.212 peak 1582 weight 1.00000E+00 volume 1.60418E+06 ppm1 0.833 ppm2 1.843
ASSI { 1583} (resid 36 and name HB2) (resid 36 and name HB1) 2.033 0.153 2.203 peak 1583 weight 1.00000E+00 volume 2.06995E+06 ppm1 1.114 ppm2 1.844
ASSI { 1584} (resid 36 and name HA) (resid 36 and name HB1) 2.713 0.654 1.271 peak 1584 weight 1.00000E+00 volume 3.66248E+05 ppm1 1.116 ppm2 4.789
ASSI { 1585} (resid 36 and name HA) (resid 36 and name HB2) 2.976 0.733 1.298 peak 1585 weight 1.00000E+00 volume 1.54419E+04 ppm1 1.846 ppm2 4.780
!increased bound 1A
ASSI { 1586} (resid 36 and name HA) (resid 36 and name HG) 2.688 0.646 1.269 peak 1586 weight 1.00000E+00 volume 2.44440E+04 ppm1 0.835 ppm2 4.762
ASSI { 1587} (resid 36 and name HD1#) (resid 36 and name HB2) 2.027 0.147 4.503 peak 1587 weight 1.00000E+00 volume 2.44749E+05 ppm1 0.933 ppm2 1.834
ASSI { 1589} (resid 36 and name HD1#) (resid 36 and name HB1) 1.800 0.00 4.472 peak 1589 weight 1.00000E+00 volume 3.83306E+05 ppm1 0.937 ppm2 1.126
ASSI { 1592} (resid 36 and name HA) (resid 36 and name HD1#) 1.955 0.075 3.495 peak 1592 weight 1.00000E+00 volume 3.53899E+05 ppm1 0.936 ppm2 4.772
ASSI { 1782} (resid 36 and name HA) (resid 36 and name HD1#) 2.470 0.581 3.547 peak 1782 weight 1.00000E+00 volume 6.91100E+04 ppm1 4.781 ppm2 0.956
ASSI { 1784} (resid 36 and name HA) (resid 36 and name HB1) 2.811 0.683 1.281 peak 1784 weight 1.00000E+00 volume 3.67148E+04 ppm1 4.780 ppm2 1.128
OR    {  1784}  (resid  36  and  name  HA)    (resid  36  and  name  HD2#)
ASSI { 1785} (resid 36 and name HA) (resid 36 and name HB2) 2.829 0.689 1.283 peak 1785 weight 1.00000E+00 volume 2.22631E+04 ppm1 4.778 ppm2 1.866
ASSI { 1783} (resid 36 and name HA) (resid 37 and name HG2) 3.013 0.744 1.301 peak 1783 weight 1.00000E+00 volume 2.17378E+04 ppm1 4.781 ppm2 1.363
ASSI { 529} (resid 36 and name HD2#) (resid 79 and name HD1#) 2.183 0.303 5.018 peak 529 weight 1.00000E+00 volume 1.34989E+06 ppm1 0.400 ppm2 1.123
ASSI { 1590} (resid 36 and name HD1#) (resid 84 and name HG2#) 1.873 0.00 4.087 peak 1590 weight 1.00000E+00 volume -3.38530E+06 ppm1 0.937 ppm2 0.768
ASSI { 195} (resid 37 and name HD2) (resid 32 and name HB2) 2.687 0.646 2.269 peak 195 weight 1.00000E+00 volume 3.88557E+05 ppm1 2.541 ppm2 1.597
ASSI { 196} (resid 37 and name HD2) (resid 32 and name HB1) 2.752 0.666 2.275 peak 196 weight 1.00000E+00 volume 3.68015E+04 ppm1 2.814 ppm2 1.602
ASSI { 198} (resid 37 and name HG2) (resid 32 and name HB2) 2.838 0.691 2.284 peak 198 weight 1.00000E+00 volume 2.94906E+04 ppm1 2.541 ppm2 1.312
ASSI { 199} (resid 37 and name HG2) (resid 32 and name HB1) 2.848 0.694 2.285 peak 199 weight 1.00000E+00 volume 2.21724E+04 ppm1 2.808 ppm2 1.305
ASSI { 1372} (resid 37 and name HA) (resid 37 and name HB2) 2.667 0.64 1.267 peak 1372 weight 1.00000E+00 volume 4.06472E+05 ppm1 4.842 ppm2 1.759
ASSI { 1373} (resid 37 and name HA) (resid 37 and name HB1) 2.426 0.546 1.243 peak 1373 weight 1.00000E+00 volume 6.37868E+04 ppm1 4.842 ppm2 1.590
ASSI { 1374} (resid 37 and name HA) (resid 37 and name HG2) 2.904 0.711 1.29 peak 1374 weight 1.00000E+00 volume 2.07692E+04 ppm1 4.842 ppm2 1.324
ASSI { 1376} (resid 37 and name HA) (resid 37 and name HB1) 2.536 0.601 1.254 peak 1376 weight 1.00000E+00 volume 5.60812E+04 ppm1 1.560 ppm2 4.848
ASSI { 1377} (resid 37 and name HA) (resid 37 and name HB2) 2.473 0.582 1.247 peak 1377 weight 1.00000E+00 volume 6.38557E+05 ppm1 1.721 ppm2 4.848
ASSI { 1378} (resid 37 and name HB1) (resid 37 and name HE2) 2.918 0.715 2.292 peak 1378 weight 1.00000E+00 volume 2.36609E+05 ppm1 1.558 ppm2 2.830
ASSI { 1379} (resid 37 and name HB2) (resid 37 and name HE2) 3.039 0.752 2.304 peak 1379 weight 1.00000E+00 volume 1.85389E+05 ppm1 1.721 ppm2 2.857
ASSI { 1382} (resid 37 and name HB2) (resid 37 and name HB1) 1.880 0 2.188 peak 1382 weight 1.00000E+00 volume 3.22254E+05 ppm1 1.719 ppm2 1.552
ASSI { 1383} (resid 37 and name HB2) (resid 37 and name HB1) 1.901 0.021 2.19 peak 1383 weight 1.00000E+00 volume 2.83551E+05 ppm1 1.559 ppm2 1.732
ASSI { 1384} (resid 37 and name HB1) (resid 37 and name HG2) 2.545 0.604 2.255 peak 1384 weight 1.00000E+00 volume 6.17394E+04 ppm1 1.561 ppm2 1.289
ASSI { 1385} (resid 37 and name HB2) (resid 37 and name HG2) 2.255 0.375 2.226 peak 1385 weight 1.00000E+00 volume 1.11010E+06 ppm1 1.719 ppm2 1.311
ASSI { 1386} (resid 37 and name HB1) (resid 37 and name HE1) 3.025 0.747 2.302 peak 1386 weight 1.00000E+00 volume 1.90881E+05 ppm1 1.556 ppm2 2.529
ASSI { 1387} (resid 37 and name HB2) (resid 37 and name HE1) 3.277 0.823 2.328 peak 1387 weight 1.00000E+00 volume 1.18091E+05 ppm1 1.721 ppm2 2.549
ASSI { 1388} (resid 37 and name HA) (resid 37 and name HG1) 2.672 0.642 1.267 peak 1388 weight 1.00000E+00 volume 4.01584E+05 ppm1 1.263 ppm2 4.840
ASSI { 1389} (resid 37 and name HA) (resid 37 and name HG2) 2.912 0.714 1.291 peak 1389 weight 1.00000E+00 volume 2.39656E+05 ppm1 1.330 ppm2 4.836
ASSI { 1390} (resid 37 and name HG2) (resid 37 and name HE2) 2.859 0.698 2.286 peak 1390 weight 1.00000E+00 volume 2.67387E+05 ppm1 1.322 ppm2 2.844
ASSI { 1391} (resid 37 and name HG1) (resid 37 and name HE2) 2.827 0.688 2.283 peak 1391 weight 1.00000E+00 volume 2.20768E+04 ppm1 1.255 ppm2 2.848
ASSI { 1392} (resid 37 and name HB2) (resid 37 and name HG2) 2.628 0.628 2.263 peak 1392 weight 1.00000E+00 volume 3.77453E+04 ppm1 1.329 ppm2 1.747
ASSI { 1393} (resid 37 and name HB1) (resid 37 and name HG2) 2.322 0.442 2.232 peak 1393 weight 1.00000E+00 volume 8.31677E+04 ppm1 1.328 ppm2 1.584
ASSI { 1394} (resid 37 and name HB1) (resid 37 and name HG1) 2.241 0.361 2.224 peak 1394 weight 1.00000E+00 volume 9.35585E+04 ppm1 1.253 ppm2 1.584
ASSI { 1396} (resid 37 and name HA) (resid 37 and name HD2) 2.908 0.712 1.291 peak 1396 weight 1.00000E+00 volume 1.18444E+04 ppm1 1.627 ppm2 4.832
ASSI { 1397} (resid 37 and name HA) (resid 37 and name HD1) 3.110 0.773 1.311 peak 1397 weight 1.00000E+00 volume 1.61398E+05 ppm1 1.587 ppm2 4.832
ASSI { 1398} (resid 37 and name HD2) (resid 37 and name HE2) 2.352 0.472 2.235 peak 1398 weight 1.00000E+00 volume 2.95938E+04 ppm1 1.621 ppm2 2.878
ASSI { 1399} (resid 37 and name HD1) (resid 37 and name HE2) 2.435 0.555 2.244 peak 1399 weight 1.00000E+00 volume 1.95153E+04 ppm1 1.590 ppm2 2.870
ASSI { 1406} (resid 37 and name HA) (resid 37 and name HE2) 3.027 0.748 1.303 peak 1406 weight 1.00000E+00 volume 1.89836E+05 ppm1 2.877 ppm2 4.824
!resid 37 and name HD1
ASSI { 531} (resid 79 and name HG1) (resid 79 and name HD1#) 1.920 0.04 2.692 peak 531 weight 1.00000E+00 volume 3.31682E+05 ppm1 0.403 ppm2 1.566
ASSI { 1054} (resid 38 and name HB#) (resid 27 and name HD2#) 1.913 0.033 4.091 peak 1054 weight 1.00000E+00 volume 2.97684E+06 ppm1 1.118 ppm2 0.590
ASSI { 1055} (resid 38 and name HB#) (resid 27 and name HG) 2.131 0.251 2.713 peak 1055 weight 1.00000E+00 volume 1.56083E+06 ppm1 1.120 ppm2 0.412
ASSI { 1169} (resid 38 and name HA) (resid 27 and name HD2#) 2.734 0.66 2.673 peak 1169 weight 1.00000E+00 volume 3.49575E+05 ppm1 0.622 ppm2 5.360
!resid 28 and name HB2
ASSI { 1052} (resid 38 and name HB#) (resid 76 and name HB1) 1.800 0.00 3.000 peak 1052 weight 1.00000E+00 volume 5.01538E+06 ppm1 1.117 ppm2 3.544
ASSI { 1778} (resid 38 and name HA) (resid 28 and name HB2) 2.959 0.728 1.296 peak 1778 weight 1.00000E+00 volume 1.73977E+04 ppm1 5.369 ppm2 3.543
ASSI { 1049} (resid 38 and name HA) (resid 29 and name HD1#) 2.314 0.434 2.631 peak 1049 weight 1.00000E+00 volume 9.51485E+05 ppm1 5.366 ppm2 0.731
ASSI { 1053} (resid 38 and name HB#) (resid 29 and name HD1#) 1.963 0.083 4.096 peak 1053 weight 1.00000E+00 volume 2.55347E+06 ppm1 1.116 ppm2 0.714
ASSI { 1050} (resid 38 and name HB#) (resid 38 and name HA) 1.970 0.09 1.697 peak 1050 weight 1.00000E+00 volume 2.49906E+06 ppm1 5.364 ppm2 1.126
ASSI { 1051} (resid 38 and name HB#) (resid 38 and name HA) 1.903 0.023 1.69 peak 1051 weight 1.00000E+00 volume 3.07276E+06 ppm1 1.121 ppm2 5.368
ASSI { 544} (resid 38 and name HB#) (resid 76 and name HB1) 2.451 0.571 2.745 peak 544 weight 1.00000E+00 volume 7.65751E+04 ppm1 3.511 ppm2 1.126
ASSI { 545} (resid 38 and name HB#) (resid 76 and name HB2) 2.380 0.5 2.738 peak 545 weight 1.00000E+00 volume 8.41091E+04 ppm1 3.595 ppm2 1.130
ASSI { 1779} (resid 38 and name HB#) (resid 79 and name HB) 2.745 0.664 1.775 peak 1779 weight 1.00000E+00 volume 2.68099E+05 ppm1 1.117 ppm2 1.425
ASSI { 1041} (resid 39 and name HA) (resid 28 and name HB2) 2.555 0.595 2.255 peak 1041 weight 1.00000E+00 volume 5.25365E+05 ppm1 4.542 ppm2 3.578
ASSI { 1045} (resid 39 and name HB) (resid 28 and name HB1) 3.293 0.828 1.329 peak 1045 weight 1.00000E+00 volume 1.14585E+05 ppm1 4.066 ppm2 3.463
ASSI { 1046} (resid 39 and name HB) (resid 28 and name HB2) 4.220 1.106 1.422 peak 1046 weight 1.00000E+00 volume 2.43212E+04 ppm1 4.066 ppm2 3.589
ASSI { 1133} (resid 39 and name HG1) (resid 28 and name HB2) 2.644 0.633 1.264 peak 1133 weight 1.00000E+00 volume 4.31137E+04 ppm1 3.594 ppm2 1.160
ASSI { 1134} (resid 39 and name HG1) (resid 28 and name HB1) 2.696 0.649 1.27 peak 1134 weight 1.00000E+00 volume 3.80516E+05 ppm1 3.444 ppm2 1.164
ASSI { 1040} (resid 39 and name HA) (resid 39 and name HG1) 2.017 0.137 2.202 peak 1040 weight 1.00000E+00 volume 2.16718E+06 ppm1 4.544 ppm2 1.161
ASSI { 1042} (resid 39 and name HA) (resid 39 and name HB) 2.192 0.312 1.219 peak 1042 weight 1.00000E+00 volume 1.31817E+06 ppm1 4.546 ppm2 4.091
ASSI { 1043} (resid 39 and name HB) (resid 39 and name HG1) 2.017 0.137 1.202 peak 1043 weight 1.00000E+00 volume 2.16810E+06 ppm1 4.066 ppm2 1.171
ASSI { 1044} (resid 39 and name HA) (resid 39 and name HB) 2.263 0.383 1.226 peak 1044 weight 1.00000E+00 volume 1.08793E+06 ppm1 4.069 ppm2 4.540
ASSI { 1047} (resid 39 and name HA) (resid 39 and name HG2#) 2.157 0.177 1.716 peak 1047 weight 1.00000E+00 volume 1.45234E+06 ppm1 1.149 ppm2 4.549
ASSI { 1048} (resid 39 and name HB) (resid 39 and name HG2#) 2.067 0.087 1.707 peak 1048 weight 1.00000E+00 volume 1.87592E+06 ppm1 1.150 ppm2 4.099
ASSI { 1015} (resid 40 and name HA) (resid 26 and name HG2) 2.434 0.474 2.243 peak 1015 weight 1.00000E+00 volume 7.02516E+05 ppm1 5.566 ppm2 1.170
ASSI { 1018} (resid 40 and name HA) (resid 26 and name HB2) 3.253 0.816 1.325 peak 1018 weight 1.00000E+00 volume 1.23205E+05 ppm1 5.567 ppm2 1.769
OR    {  1018}  (resid  40  and  name  HA)    (resid  27  and  name  HB1)
ASSI { 1773} (resid 40 and name HA) (resid 26 and name HG1) 3.405 0.862 1.341 peak 1773 weight 1.00000E+00 volume 1.18338E+04 ppm1 5.571 ppm2 1.302
ASSI { 1013} (resid 40 and name HA) (resid 27 and name HD2#) 2.789 0.677 2.679 peak 1013 weight 1.00000E+00 volume 3.51386E+04 ppm1 5.567 ppm2 0.643
ASSI { 1021} (resid 40 and name HA) (resid 27 and name HA) 2.111 0.231 0.211 peak 1021 weight 1.00000E+00 volume 1.65176E+06 ppm1 5.566 ppm2 4.682
ASSI { 1026} (resid 40 and name HB2) (resid 27 and name HA) 2.965 0.73 1.297 peak 1026 weight 1.00000E+00 volume 1.98864E+04 ppm1 3.608 ppm2 4.681
ASSI { 1027} (resid 40 and name HB2) (resid 27 and name HA) 3.154 0.786 1.315 peak 1027 weight 1.00000E+00 volume 1.64986E+04 ppm1 3.684 ppm2 4.681
ASSI { 1038} (resid 40 and name HB1) (resid 27 and name HD2#) 3.144 0.783 3.714 peak 1038 weight 1.00000E+00 volume 1.51414E+05 ppm1 3.691 ppm2 0.638
ASSI { 1039} (resid 40 and name HB2) (resid 27 and name HD2#) 2.964 0.729 3.696 peak 1039 weight 1.00000E+00 volume 2.15379E+05 ppm1 3.609 ppm2 0.634
ASSI { 1137} (resid 40 and name HA) (resid 27 and name HA) 2.335 0.455 0.234 peak 1137 weight 1.00000E+00 volume 9.01232E+05 ppm1 4.673 ppm2 5.558
ASSI { 1138} (resid 40 and name HB2) (resid 27 and name HA) 2.591 0.617 1.259 peak 1138 weight 1.00000E+00 volume 4.83390E+05 ppm1 4.673 ppm2 3.639
ASSI { 1166} (resid 40 and name HB2) (resid 27 and name HD2#) 1.855 0.00 3.586 peak 1166 weight 1.00000E+00 volume 3.90239E+05 ppm1 0.623 ppm2 3.598
ASSI { 1170} (resid 40 and name HA) (resid 27 and name HD2#) 2.772 0.672 2.677 peak 1170 weight 1.00000E+00 volume 4.41083E+04 ppm1 0.628 ppm2 5.587
!ASSI { 1821} (resid 40 and name HB2) (resid 27 and name HG) 3.009 0.903 1.301 peak 1821 weight 1.00000E+00 volume 1.99208E+04 ppm1 0.362 ppm2 3.604
ASSI { 1024} (resid 40 and name HA) (resid 40 and name HB2) 2.367 0.487 1.237 peak 1024 weight 1.00000E+00 volume 9.13162E+04 ppm1 3.692 ppm2 5.584
ASSI { 1025} (resid 40 and name HA) (resid 40 and name HB2) 2.245 0.365 1.225 peak 1025 weight 1.00000E+00 volume 1.16348E+05 ppm1 3.606 ppm2 5.591
ASSI { 1028} (resid 40 and name HA) (resid 40 and name HB1) 2.090 0.21 1.209 peak 1028 weight 1.00000E+00 volume 8.12199E+04 ppm1 5.566 ppm2 3.737
ASSI { 1029} (resid 40 and name HB2) (resid 40 and name HB1) 1.800 0.00 2.172 peak 1029 weight 1.00000E+00 volume 5.01440E+05 ppm1 3.609 ppm2 3.728
ASSI { 1030} (resid 40 and name HB2) (resid 40 and name HB1) 1.800 0.00 2.172 peak 1030 weight 1.00000E+00 volume 5.08647E+05 ppm1 3.690 ppm2 3.618
ASSI { 1031} (resid 40 and name HA) (resid 40 and name HB2) 1.831 0.00 1.183 peak 1031 weight 1.00000E+00 volume 3.87574E+06 ppm1 5.566 ppm2 3.635
ASSI { 1558} (resid 40 and name HA) (resid 41 and name HB2) 4.199 1.1 1.42 peak 1558 weight 1.00000E+00 volume 2.66765E+04 ppm1 3.772 ppm2 5.586
OR    {  1558}  (resid  40  and  name  HA)    (resid  41  and  name  HB1)
ASSI { 1422} (resid 41 and name HB2) (resid 26 and name HB2) 2.623 0.627 1.262 peak 1422 weight 1.00000E+00 volume 4.49647E+04 ppm1 1.768 ppm2 3.775
ASSI { 1423} (resid 41 and name HB2) (resid 26 and name HB1) 2.619 0.626 2.262 peak 1423 weight 1.00000E+00 volume 5.00837E+04 ppm1 1.644 ppm2 3.779
ASSI { 1434} (resid 41 and name HB2) (resid 26 and name HD2) 2.812 0.683 2.281 peak 1434 weight 1.00000E+00 volume 2.67614E+04 ppm1 1.555 ppm2 3.801
ASSI { 1441} (resid 41 and name HB2) (resid 26 and name HE2) 3.226 0.808 2.323 peak 1441 weight 1.00000E+00 volume 1.29591E+05 ppm1 2.909 ppm2 3.768
ASSI { 1555} (resid 41 and name HB1) (resid 26 and name HG1) 3.290 0.827 2.329 peak 1555 weight 1.00000E+00 volume 1.15258E+05 ppm1 3.773 ppm2 1.294
ASSI { 1770} (resid 41 and name HB2) (resid 26 and name HB1) 2.142 0.182 2.214 peak 1770 weight 1.00000E+00 volume 1.51358E+06 ppm1 3.771 ppm2 1.649
OR    {  1770}  (resid  41  and  name  HB1)   (resid  26  and  name  HB1)
ASSI { 1771} (resid 41 and name HB2) (resid 26 and name HG2) 2.608 0.623 2.261 peak 1771 weight 1.00000E+00 volume 3.68131E+04 ppm1 3.773 ppm2 1.179
OR    {  1771}  (resid  41  and  name  HB1)   (resid  26  and  name  HG2)
ASSI { 1557} (resid 41 and name HA) (resid 41 and name HB1) 2.190 0.31 1.219 peak 1557 weight 1.00000E+00 volume 1.32620E+06 ppm1 3.774 ppm2 4.660
OR    {  1557}  (resid  41  and  name  HA)    (resid  41  and  name  HB2)
ASSI { 1767} (resid 41 and name HA) (resid 41 and name HB2) 1.845 0.00 1.184 peak 1767 weight 1.00000E+00 volume 5.09006E+05 ppm1 4.643 ppm2 3.751
ASSI { 1768} (resid 41 and name HA) (resid 41 and name HB1) 1.871 0.00 1.187 peak 1768 weight 1.00000E+00 volume 3.57568E+05 ppm1 4.643 ppm2 3.804
ASSI { 177} (resid 42 and name HA) (resid 42 and name HB1) 2.304 0.424 1.23 peak 177 weight 1.00000E+00 volume 8.30456E+04 ppm1 4.385 ppm2 2.621
ASSI { 178} (resid 42 and name HA) (resid 42 and name HB2) 2.217 0.337 1.222 peak 178 weight 1.00000E+00 volume 1.34052E+05 ppm1 4.385 ppm2 3.020
ASSI { 179} (resid 42 and name HA) (resid 42 and name HB1) 2.421 0.541 1.242 peak 179 weight 1.00000E+00 volume 6.90673E+04 ppm1 2.600 ppm2 4.407
ASSI { 180} (resid 42 and name HA) (resid 42 and name HB2) 2.299 0.419 1.23 peak 180 weight 1.00000E+00 volume 9.89245E+05 ppm1 3.005 ppm2 4.387
ASSI { 181} (resid 42 and name HB2) (resid 42 and name HB1) 2.00 0.00 2.174 peak 181 weight 1.00000E+00 volume 5.25634E+06 ppm1 2.605 ppm2 3.022
ASSI { 182} (resid 42 and name HB2) (resid 42 and name HB1) 2.00 0.00 2.174 peak 182 weight 1.00000E+00 volume 5.31716E+06 ppm1 3.007 ppm2 2.608
ASSI { 1005} (resid 43 and name HB#) (resid 41 and name HA) 2.772 0.772 1.777 peak 1005 weight 1.00000E+00 volume 3.63039E+04 ppm1 1.294 ppm2 4.654
ASSI { 1003} (resid 43 and name HA) (resid 43 and name HB#) 2.00 0.00 1.677 peak 1003 weight 1.00000E+00 volume 3.10244E+05 ppm1 1.294 ppm2 3.914
ASSI { 63} (resid 44 and name HA2) (resid 44 and name HA1) 2.00 0.00 0.184 peak 63 weight 1.00000E+00 volume 3.76162E+06 ppm1 3.480 ppm2 4.116
ASSI { 64} (resid 44 and name HA2) (resid 44 and name HA1) 2.00 0.00 0.183 peak 64 weight 1.00000E+00 volume 3.89514E+06 ppm1 4.105 ppm2 3.486
ASSI { 998} (resid 45 and name HB1) (resid 24 and name HB2) 2.844 0.693 2.284 peak 998 weight 1.00000E+00 volume 1.05716E+04 ppm1 3.280 ppm2 1.638
ASSI { 999} (resid 45 and name HB1) (resid 24 and name HB1) 3.063 0.759 1.306 peak 999 weight 1.00000E+00 volume 7.23160E+03 ppm1 3.280 ppm2 1.793
!inc bound 1A
ASSI { 1001} (resid 45 and name HB2) (resid 24 and name HB2) 2.235 0.355 3.223 peak 1001 weight 1.00000E+00 volume 1.82321E+04 ppm1 2.838 ppm2 1.611
ASSI { 1444} (resid 45 and name HB1) (resid 24 and name HB2) 2.875 0.702 2.287 peak 1444 weight 1.00000E+00 volume 2.77637E+04 ppm1 1.618 ppm2 3.290
ASSI { 1447} (resid 45 and name HB1) (resid 24 and name HB1) 3.223 0.807 1.322 peak 1447 weight 1.00000E+00 volume 1.61305E+04 ppm1 1.772 ppm2 3.283
ASSI { 75} (resid 45 and name HB1) (resid 25 and name HA2) 3.189 0.797 1.319 peak 75 weight 1.00000E+00 volume 1.38900E+05 ppm1 3.410 ppm2 3.222
ASSI { 81} (resid 45 and name HB1) (resid 25 and name HA1) 2.529 0.499 1.253 peak 81 weight 1.00000E+00 volume 2.77379E+04 ppm1 4.386 ppm2 3.200
ASSI { 987} (resid 45 and name HB1) (resid 25 and name HA1) 3.031 0.749 1.303 peak 987 weight 1.00000E+00 volume 1.88504E+05 ppm1 3.280 ppm2 4.418
ASSI { 988} (resid 45 and name HB2) (resid 25 and name HA1) 2.557 0.507 1.256 peak 988 weight 1.00000E+00 volume 5.22473E+05 ppm1 2.838 ppm2 4.425
ASSI { 983} (resid 45 and name HD#) (resid 45 and name HB2) 2.862 0.699 3.686 peak 983 weight 1.00000E+00 volume 1.02486E+04 ppm1 2.836 ppm2 7.091
ASSI { 984} (resid 45 and name HD#) (resid 45 and name HB1) 2.763 0.669 3.676 peak 984 weight 1.00000E+00 volume 1.46679E+04 ppm1 3.283 ppm2 7.091
ASSI { 985} (resid 45 and name HB2) (resid 45 and name HA) 2.812 0.683 1.281 peak 985 weight 1.00000E+00 volume 1.54337E+04 ppm1 2.838 ppm2 4.872
ASSI { 986} (resid 45 and name HB1) (resid 45 and name HA) 2.609 0.623 1.261 peak 986 weight 1.00000E+00 volume 2.35534E+04 ppm1 3.283 ppm2 4.872
ASSI { 989} (resid 45 and name HD#) (resid 45 and name HA) 2.621 0.626 2.662 peak 989 weight 1.00000E+00 volume 4.51045E+05 ppm1 4.854 ppm2 7.073
ASSI { 991} (resid 45 and name HB2) (resid 45 and name HA) 2.280 0.4 1.228 peak 991 weight 1.00000E+00 volume 1.03962E+06 ppm1 4.850 ppm2 2.847
ASSI { 995} (resid 45 and name HB2) (resid 45 and name HB1) 1.921 0.041 2.192 peak 995 weight 1.00000E+00 volume 9.98901E+04 ppm1 3.286 ppm2 2.838
ASSI { 996} (resid 45 and name HB2) (resid 45 and name HB1) 2.074 0.194 2.207 peak 996 weight 1.00000E+00 volume 8.76956E+04 ppm1 2.841 ppm2 3.302
ASSI { 1545} (resid 45 and name HB1) (resid 45 and name HA) 2.228 0.348 1.223 peak 1545 weight 1.00000E+00 volume 1.19354E+06 ppm1 4.857 ppm2 3.299
ASSI { 59} (resid 46 and name HA1) (resid 24 and name HB1) 3.388 0.856 1.339 peak 59 weight 1.00000E+00 volume 1.24768E+04 ppm1 3.580 ppm2 1.773
ASSI { 62} (resid 46 and name HA2) (resid 24 and name HB1) 3.488 0.886 1.349 peak 62 weight 1.00000E+00 volume 8.11463E+04 ppm1 4.981 ppm2 1.762
ASSI { 53} (resid 46 and name HA2) (resid 46 and name HA1) 1.832 0.00 0.183 peak 53 weight 1.00000E+00 volume 3.71121E+05 ppm1 3.577 ppm2 4.983
ASSI { 54} (resid 46 and name HA2) (resid 46 and name HA1) 1.865 0.00 0.187 peak 54 weight 1.00000E+00 volume 3.61671E+05 ppm1 4.981 ppm2 3.603
ASSI { 57} (resid 46 and name HA1) (resid 47 and name HD1#) 2.906 0.712 1.791 peak 57 weight 1.00000E+00 volume 2.42810E+05 ppm1 3.576 ppm2 1.008
ASSI { 60} (resid 46 and name HA2) (resid 47 and name HD1#) 2.828 0.688 1.783 peak 60 weight 1.00000E+00 volume 4.11420E+04 ppm1 4.985 ppm2 1.004
ASSI { 55} (resid 46 and name HA2) (resid 71 and name HA) 2.394 0.514 0.239 peak 55 weight 1.00000E+00 volume 6.74221E+04 ppm1 4.981 ppm2 3.810
ASSI { 56} (resid 46 and name HA1) (resid 71 and name HA) 2.455 0.575 0.246 peak 56 weight 1.00000E+00 volume 4.83324E+04 ppm1 3.577 ppm2 3.811
ASSI { 644} (resid 46 and name HA2) (resid 71 and name HA) 2.113 0.233 0.211 peak 644 weight 1.00000E+00 volume 1.61052E+05 ppm1 3.800 ppm2 4.975
ASSI { 646} (resid 46 and name HA1) (resid 71 and name HA) 2.613 0.624 0.261 peak 646 weight 1.00000E+00 volume 4.59069E+05 ppm1 3.796 ppm2 3.611
ASSI { 964} (resid 47 and name HG2#) (resid 22 and name HE1) 2.796 0.679 2.78 peak 964 weight 1.00000E+00 volume 3.06118E+05 ppm1 1.117 ppm2 3.152
OR    {  964}   (resid  47  and  name  HG2#)  (resid  22  and  name  HE2)
ASSI { 1483} (resid 47 and name HA) (resid 22 and name HD2) 2.785 0.676 1.279 peak 1483 weight 1.00000E+00 volume 3.13117E+05 ppm1 1.778 ppm2 3.958
ASSI { 940} (resid 47 and name HB) (resid 47 and name HA) 3.024 0.747 0.302 peak 940 weight 1.00000E+00 volume 4.08792E+03 ppm1 2.151 ppm2 4.030
ASSI { 942} (resid 47 and name HB) (resid 47 and name HA) 2.877 0.703 0.288 peak 942 weight 1.00000E+00 volume 2.57926E+05 ppm1 4.006 ppm2 2.175
ASSI { 943} (resid 47 and name HG12) (resid 47 and name HA) 2.244 0.364 1.224 peak 943 weight 1.00000E+00 volume 1.14379E+06 ppm1 4.002 ppm2 1.179
ASSI { 945} (resid 47 and name HD1#) (resid 47 and name HA) 2.628 0.628 1.763 peak 945 weight 1.00000E+00 volume 4.43434E+05 ppm1 4.006 ppm2 1.017
ASSI { 946} (resid 47 and name HB) (resid 47 and name HD1#) 2.451 0.571 1.745 peak 946 weight 1.00000E+00 volume 4.58804E+04 ppm1 2.154 ppm2 0.995
ASSI { 947} (resid 47 and name HB) (resid 47 and name HG2#) 2.301 0.421 1.73 peak 947 weight 1.00000E+00 volume 8.06372E+04 ppm1 2.158 ppm2 1.134
ASSI { 951} (resid 47 and name HA) (resid 47 and name HG2#) 2.322 0.442 1.732 peak 951 weight 1.00000E+00 volume 8.74724E+04 ppm1 4.001 ppm2 1.130
ASSI { 952} (resid 47 and name HG12) (resid 47 and name HA) 2.520 0.596 1.252 peak 952 weight 1.00000E+00 volume 5.70652E+05 ppm1 1.224 ppm2 4.013
ASSI { 953} (resid 47 and name HG11) (resid 47 and name HA) 2.565 0.61 1.257 peak 953 weight 1.00000E+00 volume 5.12553E+05 ppm1 1.752 ppm2 4.013
ASSI { 954} (resid 47 and name HG11) (resid 47 and name HB) 2.624 0.627 1.262 peak 954 weight 1.00000E+00 volume 4.47964E+05 ppm1 1.748 ppm2 2.177
ASSI { 955} (resid 47 and name HG12) (resid 47 and name HB) 2.634 0.63 1.263 peak 955 weight 1.00000E+00 volume 4.37093E+05 ppm1 1.217 ppm2 2.182
ASSI { 956} (resid 47 and name HG12) (resid 47 and name HG11) 1.800 0.00 2.176 peak 956 weight 1.00000E+00 volume 4.84626E+06 ppm1 1.219 ppm2 1.710
ASSI { 957} (resid 47 and name HG12) (resid 47 and name HG11) 1.914 0.034 2.191 peak 957 weight 1.00000E+00 volume 2.97537E+06 ppm1 1.743 ppm2 1.233
ASSI { 958} (resid 47 and name HG11) (resid 47 and name HD1#) 2.114 0.234 2.711 peak 958 weight 1.00000E+00 volume 1.63868E+06 ppm1 1.746 ppm2 1.002
ASSI { 959} (resid 47 and name HG12) (resid 47 and name HD1#) 2.123 0.243 2.712 peak 959 weight 1.00000E+00 volume 1.59502E+06 ppm1 1.220 ppm2 0.988
ASSI { 960} (resid 47 and name HG11) (resid 47 and name HG2#) 1.973 0.093 2.697 peak 960 weight 1.00000E+00 volume 3.40907E+05 ppm1 1.118 ppm2 1.776
OR    {  960}   (resid  69  and  name  HB2)   (resid  47  and  name  HG2#)
ASSI { 961} (resid 47 and name HB) (resid 47 and name HG2#) 1.880 0 1.688 peak 961 weight 1.00000E+00 volume 3.31164E+06 ppm1 1.117 ppm2 2.177
ASSI { 965} (resid 47 and name HA) (resid 47 and name HG2#) 2.028 0.148 1.703 peak 965 weight 1.00000E+00 volume 2.10120E+06 ppm1 1.115 ppm2 3.996
ASSI { 1757} (resid 47 and name HD1#) (resid 47 and name HA) 2.581 0.614 1.758 peak 1757 weight 1.00000E+00 volume 6.32208E+04 ppm1 0.976 ppm2 3.996
ASSI { 1760} (resid 47 and name HB) (resid 47 and name HD1#) 2.110 0.23 1.711 peak 1760 weight 1.00000E+00 volume 1.65602E+06 ppm1 0.976 ppm2 2.183
ASSI { 1762} (resid 47 and name HG12) (resid 47 and name HD1#) 2.182 0.302 2.718 peak 1762 weight 1.00000E+00 volume 3.49108E+05 ppm1 0.977 ppm2 1.196
!inc bound 1A
ASSI { 933} (resid 47 and name HB) (resid 48 and name HA) 3.012 0.744 1.301 peak 933 weight 1.00000E+00 volume 1.11239E+04 ppm1 4.421 ppm2 2.180
ASSI { 937} (resid 47 and name HG12) (resid 48 and name HA) 2.723 0.657 1.272 peak 937 weight 1.00000E+00 volume 3.58519E+05 ppm1 4.418 ppm2 1.182
OR    {  937}   (resid  48  and  name  HA)    (resid  24  and  name  HG2)
ASSI { 948} (resid 47 and name HB) (resid 69 and name HB2) 2.626 0.628 1.263 peak 948 weight 1.00000E+00 volume 4.46100E+05 ppm1 2.156 ppm2 1.746
OR    {  948}   (resid  47  and  name  HG11)  (resid  47  and  name  HB)
!resid 69 and name HB2
ASSI { 950} (resid 47 and name HA) (resid 47 and name HG12) 2.464 0.579 1.246 peak 950 weight 1.00000E+00 volume 6.77938E+04 ppm1 4.007 ppm2 1.785
ASSI { 1761} (resid 47 and name HD1#) (resid 69 and name HB2) 1.889 0.009 2.689 peak 1761 weight 1.00000E+00 volume 3.86654E+05 ppm1 0.978 ppm2 1.765
OR    {  1761}  (resid  47  and  name  HG11)  (resid  47  and  name  HD1#)
ASSI { 929} (resid 48 and name HB1) (resid 24 and name HB1) 2.604 0.621 1.26 peak 929 weight 1.00000E+00 volume 4.64939E+04 ppm1 4.267 ppm2 1.791
OR    {  929}   (resid  48  and  name  HB1)   (resid  69  and  name  HB2)
OR    {  929}   (resid  48  and  name  HB1)   (resid  47  and  name  HG11)
ASSI { 930} (resid 48 and name HB1) (resid 24 and name HD2) 3.197 0.799 2.32 peak 930 weight 1.00000E+00 volume 1.36928E+05 ppm1 4.272 ppm2 1.413
ASSI { 931} (resid 48 and name HB1) (resid 24 and name HG2) 2.721 0.656 2.272 peak 931 weight 1.00000E+00 volume 4.69131E+04 ppm1 4.269 ppm2 1.129
OR    {  931}   (resid  48  and  name  HB1)   (resid  47  and  name  HG2#)
ASSI { 936} (resid 48 and name HA) (resid 24 and name HD2) 2.505 0.591 1.25 peak 936 weight 1.00000E+00 volume 4.96442E+04 ppm1 4.415 ppm2 1.387
ASSI { 928} (resid 48 and name HB1) (resid 47 and name HB) 3.042 0.753 1.304 peak 928 weight 1.00000E+00 volume 1.77059E+04 ppm1 4.265 ppm2 2.165
ASSI { 941} (resid 48 and name HB1) (resid 47 and name HB) 2.594 0.618 1.259 peak 941 weight 1.00000E+00 volume 4.79223E+05 ppm1 2.153 ppm2 4.177
OR    {  941}   (resid  68  and  name  HA)    (resid  47  and  name  HB)
ASSI { 966} (resid 48 and name HB1) (resid 47 and name HG2#) 2.173 0.293 2.717 peak 966 weight 1.00000E+00 volume 1.46711E+05 ppm1 1.113 ppm2 4.251
ASSI { 970} (resid 48 and name HA) (resid 47 and name HG2#) 2.958 0.727 1.796 peak 970 weight 1.00000E+00 volume 2.50391E+04 ppm1 1.119 ppm2 4.420
ASSI { 921} (resid 48 and name HB2) (resid 48 and name HB1) 2.533 0.6 2.253 peak 921 weight 1.00000E+00 volume 6.84480E+04 ppm1 3.960 ppm2 4.274
ASSI { 922} (resid 48 and name HB2) (resid 48 and name HB1) 1.800 0.00 2.179 peak 922 weight 1.00000E+00 volume 5.10540E+05 ppm1 4.273 ppm2 3.961
ASSI { 923} (resid 48 and name HB1) (resid 48 and name HA) 2.067 0.187 1.207 peak 923 weight 1.00000E+00 volume 1.22750E+05 ppm1 4.267 ppm2 4.421
ASSI { 924} (resid 48 and name HB2) (resid 48 and name HA) 3.006 0.742 1.301 peak 924 weight 1.00000E+00 volume 1.25514E+04 ppm1 3.957 ppm2 4.437
ASSI { 934} (resid 48 and name HB2) (resid 48 and name HA) 2.028 0.148 1.203 peak 934 weight 1.00000E+00 volume 2.22004E+05 ppm1 4.418 ppm2 3.962
ASSI { 939} (resid 48 and name HB1) (resid 48 and name HA) 2.007 0.127 1.201 peak 939 weight 1.00000E+00 volume 1.67013E+05 ppm1 4.419 ppm2 4.275
ASSI { 935} (resid 48 and name HA) (resid 69 and name HB2) 2.672 0.642 1.267 peak 935 weight 1.00000E+00 volume 4.01523E+05 ppm1 4.418 ppm2 1.808
OR    {  935}   (resid  48  and  name  HA)    (resid  24  and  name  HB1)
ASSI { 1831} (resid 49 and name HB1) (resid 24 and name HE2) 4.401 1.16 2.44 peak 1831 weight 1.00000E+00 volume 2.01087E+04 ppm1 2.610 ppm2 3.473
ASSI { 1542} (resid 49 and name HB2) (resid 49 and name HB1) 1.800 0.00 2.177 peak 1542 weight 1.00000E+00 volume 4.82602E+06 ppm1 2.873 ppm2 3.528
ASSI { 1543} (resid 49 and name HB2) (resid 49 and name HB1) 1.800 0.00 2.173 peak 1543 weight 1.00000E+00 volume 5.36450E+06 ppm1 3.508 ppm2 2.885
ASSI { 1546} (resid 49 and name HB1) (resid 49 and name HA) 2.300 0.42 1.23 peak 1546 weight 1.00000E+00 volume 9.87465E+05 ppm1 3.508 ppm2 4.882
ASSI { 1547} (resid 49 and name HB2) (resid 49 and name HA) 2.447 0.567 1.245 peak 1547 weight 1.00000E+00 volume 8.87740E+04 ppm1 2.872 ppm2 4.878
ASSI { 1548} (resid 49 and name HB1) (resid 49 and name HD#) 2.711 0.653 3.671 peak 1548 weight 1.00000E+00 volume 3.65100E+04 ppm1 3.511 ppm2 7.257
ASSI { 1549} (resid 49 and name HB2) (resid 49 and name HD#) 2.657 0.637 3.666 peak 1549 weight 1.00000E+00 volume 3.93313E+04 ppm1 2.872 ppm2 7.257
ASSI { 1747} (resid 49 and name HB1) (resid 49 and name HA) 2.266 0.386 1.227 peak 1747 weight 1.00000E+00 volume 1.26355E+05 ppm1 4.873 ppm2 3.521
ASSI { 1748} (resid 49 and name HB2) (resid 49 and name HA) 2.203 0.323 1.22 peak 1748 weight 1.00000E+00 volume 1.27170E+05 ppm1 4.867 ppm2 2.899
ASSI { 1751} (resid 49 and name HA) (resid 49 and name HD#) 2.476 0.583 2.648 peak 1751 weight 1.00000E+00 volume 5.52049E+04 ppm1 4.869 ppm2 7.254
ASSI { 1743} (resid 50 and name HB1) (resid 47 and name HG12) 2.769 0.671 2.277 peak 1743 weight 1.00000E+00 volume 1.76507E+04 ppm1 1.874 ppm2 1.206
ASSI { 1744} (resid 50 and name HB2) (resid 47 and name HG12) 2.780 0.674 2.278 peak 1744 weight 1.00000E+00 volume 1.86456E+04 ppm1 1.932 ppm2 1.199
ASSI { 927} (resid 50 and name HG2) (resid 48 and name HB1) 3.009 0.743 2.301 peak 927 weight 1.00000E+00 volume 1.92949E+04 ppm1 4.268 ppm2 2.312
ASSI { 1740} (resid 50 and name HA) (resid 49 and name HB2) 3.041 0.752 1.304 peak 1740 weight 1.00000E+00 volume 1.84780E+05 ppm1 4.311 ppm2 2.891
ASSI { 167} (resid 50 and name HA) (resid 50 and name HB1) 2.006 0.126 1.201 peak 167 weight 1.00000E+00 volume 1.54867E+05 ppm1 4.315 ppm2 1.898
OR    {  167}   (resid  50  and  name  HA)    (resid  50  and  name  HB2)
ASSI { 168} (resid 50 and name HA) (resid 50 and name HG1) 2.355 0.475 1.235 peak 168 weight 1.00000E+00 volume 8.57476E+05 ppm1 4.315 ppm2 2.194
ASSI { 169} (resid 50 and name HA) (resid 50 and name HB1) 2.415 0.535 1.242 peak 169 weight 1.00000E+00 volume 7.36038E+05 ppm1 1.876 ppm2 4.324
ASSI { 170} (resid 50 and name HA) (resid 50 and name HB2) 2.403 0.523 1.24 peak 170 weight 1.00000E+00 volume 4.17483E+04 ppm1 1.931 ppm2 4.319
ASSI { 171} (resid 50 and name HB2) (resid 50 and name HG1) 2.273 0.393 2.227 peak 171 weight 1.00000E+00 volume 1.05907E+06 ppm1 1.931 ppm2 2.215
ASSI { 172} (resid 50 and name HB1) (resid 50 and name HG1) 2.417 0.537 2.242 peak 172 weight 1.00000E+00 volume 2.97377E+04 ppm1 1.877 ppm2 2.205
ASSI { 174} (resid 50 and name HA) (resid 50 and name HG1) 2.398 0.518 1.24 peak 174 weight 1.00000E+00 volume 7.68270E+05 ppm1 2.188 ppm2 4.316
ASSI { 176} (resid 50 and name HB2) (resid 50 and name HG1) 2.110 0.23 2.211 peak 176 weight 1.00000E+00 volume 1.29512E+05 ppm1 2.187 ppm2 1.899
ASSI { 1741} (resid 50 and name HA) (resid 50 and name HG2) 2.725 0.658 1.273 peak 1741 weight 1.00000E+00 volume 3.56797E+05 ppm1 4.317 ppm2 2.333
ASSI { 1742} (resid 50 and name HA) (resid 50 and name HB1) 2.081 0.201 1.208 peak 1742 weight 1.00000E+00 volume 4.90356E+04 ppm1 4.314 ppm2 1.815
ASSI { 1745} (resid 50 and name HG2) (resid 50 and name HG1) 1.800 0.00 2.172 peak 1745 weight 1.00000E+00 volume 5.03859E+05 ppm1 2.188 ppm2 2.339
ASSI { 1746} (resid 50 and name HG2) (resid 50 and name HG1) 1.800 0.00 2.172 peak 1746 weight 1.00000E+00 volume 8.26236E+05 ppm1 2.304 ppm2 2.173
ASSI { 1739} (resid 51 and name HA) (resid 50 and name HB2) 3.251 0.815 1.325 peak 1739 weight 1.00000E+00 volume 1.23743E+05 ppm1 4.805 ppm2 1.947
OR    {  1739}  (resid  51  and  name  HA)    (resid  69  and  name  HD2)
ASSI { 156} (resid 51 and name HB1) (resid 51 and name HA) 2.222 0.342 1.222 peak 156 weight 1.00000E+00 volume 1.16140E+05 ppm1 4.804 ppm2 2.957
ASSI { 157} (resid 51 and name HB2) (resid 51 and name HA) 2.143 0.263 1.214 peak 157 weight 1.00000E+00 volume 1.14462E+05 ppm1 4.801 ppm2 2.424
ASSI { 158} (resid 51 and name HB2) (resid 51 and name HA) 2.426 0.546 1.243 peak 158 weight 1.00000E+00 volume 7.16021E+05 ppm1 2.430 ppm2 4.832
ASSI { 160} (resid 51 and name HB2) (resid 51 and name HB1) 1.800 0.00 2.176 peak 160 weight 1.00000E+00 volume 4.92703E+06 ppm1 2.433 ppm2 2.961
ASSI { 161} (resid 51 and name HB2) (resid 51 and name HB1) 1.800 0.00 2.179 peak 161 weight 1.00000E+00 volume 4.44905E+06 ppm1 2.935 ppm2 2.446
ASSI { 165} (resid 51 and name HA) (resid 69 and name HG2) 2.598 0.619 1.26 peak 165 weight 1.00000E+00 volume 4.75243E+05 ppm1 4.801 ppm2 1.786
OR    {  165}   (resid  51  and  name  HA)    (resid  69  and  name  HB2)
ASSI { 166} (resid 51 and name HA) (resid 69 and name HG1) 3.103 0.771 1.31 peak 166 weight 1.00000E+00 volume 1.63705E+05 ppm1 4.801 ppm2 1.275
ASSI { 1707} (resid 51 and name HB1) (resid 69 and name HG1) 2.655 0.637 2.266 peak 1707 weight 1.00000E+00 volume 4.17063E+05 ppm1 1.290 ppm2 2.911
ASSI { 1708} (resid 51 and name HB1) (resid 69 and name HG2) 2.932 0.719 2.293 peak 1708 weight 1.00000E+00 volume 1.11155E+04 ppm1 1.758 ppm2 2.911
ASSI { 1711} (resid 51 and name HA) (resid 69 and name HG1) 2.446 0.486 1.245 peak 1711 weight 1.00000E+00 volume 3.75108E+04 ppm1 1.293 ppm2 4.888
ASSI { 1712} (resid 51 and name HA) (resid 69 and name HG2) 2.817 0.685 1.282 peak 1712 weight 1.00000E+00 volume 2.92566E+05 ppm1 1.760 ppm2 4.869
ASSI { 1733} (resid 52 and name HG2) (resid 50 and name HB1) 2.652 0.636 2.265 peak 1733 weight 1.00000E+00 volume 4.19961E+05 ppm1 1.215 ppm2 1.904
OR    {  1733}  (resid  52  and  name  HG2)   (resid  50  and  name  HB2)
ASSI { 1734} (resid 52 and name HG1) (resid 50 and name HB2) 2.590 0.617 2.259 peak 1734 weight 1.00000E+00 volume 1.90656E+04 ppm1 1.144 ppm2 1.908
OR    {  1734}  (resid  52  and  name  HG1)   (resid  50  and  name  HB1)
ASSI { 163} (resid 52 and name HD2) (resid 51 and name HB1) 2.891 0.707 2.289 peak 163 weight 1.00000E+00 volume 6.07590E+03 ppm1 2.932 ppm2 1.640
ASSI { 164} (resid 52 and name HD2) (resid 51 and name HA) 2.395 0.515 1.239 peak 164 weight 1.00000E+00 volume 5.58080E+04 ppm1 4.801 ppm2 1.621
ASSI { 1350} (resid 52 and name HB2) (resid 52 and name HG2) 2.486 0.586 2.249 peak 1350 weight 1.00000E+00 volume 5.91058E+04 ppm1 1.545 ppm2 1.180
ASSI { 1358} (resid 52 and name HA) (resid 52 and name HB2) 2.499 0.59 1.25 peak 1358 weight 1.00000E+00 volume 5.69718E+04 ppm1 1.543 ppm2 4.427
ASSI { 1359} (resid 52 and name HA) (resid 52 and name HB1) 2.608 0.622 1.261 peak 1359 weight 1.00000E+00 volume 4.59962E+04 ppm1 1.430 ppm2 4.427
ASSI { 1360} (resid 52 and name HA) (resid 52 and name HG2) 2.233 0.353 1.223 peak 1360 weight 1.00000E+00 volume 1.17779E+06 ppm1 4.427 ppm2 1.183
ASSI { 1361} (resid 52 and name HA) (resid 52 and name HB1) 2.086 0.206 1.209 peak 1361 weight 1.00000E+00 volume 1.22551E+05 ppm1 4.431 ppm2 1.463
ASSI { 1362} (resid 52 and name HA) (resid 52 and name HB2) 2.055 0.175 1.206 peak 1362 weight 1.00000E+00 volume 1.88626E+05 ppm1 4.431 ppm2 1.594
ASSI { 1363} (resid 52 and name HB1) (resid 52 and name HG2) 2.493 0.588 2.249 peak 1363 weight 1.00000E+00 volume 5.66810E+04 ppm1 1.434 ppm2 1.182
ASSI { 1370} (resid 52 and name HA) (resid 52 and name HG2) 2.889 0.707 1.289 peak 1370 weight 1.00000E+00 volume 3.29596E+04 ppm1 1.216 ppm2 4.448
ASSI { 1371} (resid 52 and name HA) (resid 52 and name HG1) 2.807 0.682 1.281 peak 1371 weight 1.00000E+00 volume 3.24021E+04 ppm1 1.150 ppm2 4.448
ASSI { 1737} (resid 52 and name HA) (resid 52 and name HD2) 2.945 0.724 1.295 peak 1737 weight 1.00000E+00 volume 2.23832E+05 ppm1 1.603 ppm2 4.440
ASSI { 1705} (resid 52 and name HD2) (resid 69 and name HG1) 2.280 0.4 2.228 peak 1705 weight 1.00000E+00 volume 1.03927E+06 ppm1 1.291 ppm2 1.598
ASSI { 1706} (resid 52 and name HD2) (resid 69 and name HG2) 2.367 0.487 2.237 peak 1706 weight 1.00000E+00 volume 8.31356E+05 ppm1 1.763 ppm2 1.606
ASSI { 140} (resid 53 and name HB1) (resid 53 and name HA) 2.476 0.583 1.248 peak 140 weight 1.00000E+00 volume 6.85489E+04 ppm1 2.088 ppm2 5.659
ASSI { 141} (resid 53 and name HB2) (resid 53 and name HA) 2.581 0.614 1.258 peak 141 weight 1.00000E+00 volume 4.93785E+05 ppm1 2.554 ppm2 5.659
ASSI { 143} (resid 53 and name HB2) (resid 53 and name HB1) 1.834 0.00 2.183 peak 143 weight 1.00000E+00 volume 3.82869E+05 ppm1 2.087 ppm2 2.564
ASSI { 144} (resid 53 and name HB2) (resid 53 and name HB1) 1.860 0.00 2.186 peak 144 weight 1.00000E+00 volume 3.10075E+05 ppm1 2.554 ppm2 2.081
ASSI { 151} (resid 53 and name HB1) (resid 53 and name HA) 2.340 0.46 1.234 peak 151 weight 1.00000E+00 volume 7.91236E+04 ppm1 5.630 ppm2 2.088
ASSI { 152} (resid 53 and name HB2) (resid 53 and name HA) 2.468 0.58 1.247 peak 152 weight 1.00000E+00 volume 6.66742E+04 ppm1 5.633 ppm2 2.567
!increased bound by 1A. changed assignment, same as 149
ASSI { 146} (resid 53 and name HB1) (resid 65 and name HG2#) 2.651 0.635 2.265 peak 146 weight 1.00000E+00 volume 4.24172E+04 ppm1 2.087 ppm2 0.982
!resid 54 and name HB1
ASSI { 149} (resid 53 and name HB2) (resid 65 and name HG2#) 2.875 0.703 2.288 peak 149 weight 1.00000E+00 volume 3.03713E+04 ppm1 2.554 ppm2 0.990
ASSI { 154} (resid 53 and name HA) (resid 54 and name HB1) 3.167 0.79 2.317 peak 154 weight 1.00000E+00 volume 1.05737E+04 ppm1 5.632 ppm2 0.986
ASSI { 142} (resid 54 and name HD1) (resid 53 and name HA) 3.035 0.751 2.304 peak 142 weight 1.00000E+00 volume 1.86964E+05 ppm1 5.630 ppm2 6.651
ASSI { 908} (resid 54 and name HD1) (resid 54 and name HB1) 2.863 0.699 1.286 peak 908 weight 1.00000E+00 volume 2.65356E+05 ppm1 0.916 ppm2 6.696
ASSI { 909} (resid 54 and name HD1) (resid 54 and name HB2) 2.914 0.714 1.291 peak 909 weight 1.00000E+00 volume 2.38602E+05 ppm1 2.245 ppm2 6.677
ASSI { 910} (resid 54 and name HA) (resid 54 and name HB2) 2.694 0.648 1.269 peak 910 weight 1.00000E+00 volume 3.82529E+05 ppm1 2.242 ppm2 4.660
ASSI { 911} (resid 54 and name HA) (resid 54 and name HB1) 2.901 0.71 1.29 peak 911 weight 1.00000E+00 volume 1.99837E+04 ppm1 0.913 ppm2 4.660
ASSI { 913} (resid 54 and name HA) (resid 54 and name HB2) 2.493 0.588 1.249 peak 913 weight 1.00000E+00 volume 2.41437E+04 ppm1 4.673 ppm2 2.254
ASSI { 916} (resid 54 and name HA) (resid 54 and name HB1) 2.514 0.594 1.251 peak 916 weight 1.00000E+00 volume 1.97596E+04 ppm1 4.667 ppm2 0.951
ASSI { 919} (resid 54 and name HB2) (resid 54 and name HB1) 1.984 0.104 2.198 peak 919 weight 1.00000E+00 volume 2.39721E+06 ppm1 2.245 ppm2 0.941
ASSI { 920} (resid 54 and name HB2) (resid 54 and name HB1) 2.101 0.221 2.21 peak 920 weight 1.00000E+00 volume 1.69739E+06 ppm1 0.915 ppm2 2.264
!bound increased 2A
ASSI { 127} (resid 54 and name HD1) (resid 67 and name HA) 3.086 0.766 2.309 peak 127 weight 1.00000E+00 volume 1.69322E+05 ppm1 5.711 ppm2 6.661
ASSI { 735} (resid 54 and name HD1) (resid 68 and name HG2) 2.686 0.646 1.269 peak 735 weight 1.00000E+00 volume 2.73160E+04 ppm1 2.915 ppm2 6.677
ASSI { 1725} (resid 54 and name HD1) (resid 68 and name HG1) 2.834 0.69 1.283 peak 1725 weight 1.00000E+00 volume 2.81951E+05 ppm1 2.275 ppm2 6.646
ASSI { 316} (resid 54 and name HB2) (resid 91 and name HG2#) 2.533 0.6 2.753 peak 316 weight 1.00000E+00 volume 5.53557E+05 ppm1 1.126 ppm2 2.277
OR    {  316}   (resid  16  and  name  HB)    (resid  91  and  name  HG2#)
ASSI { 320} (resid 54 and name HZ2) (resid 91 and name HG2#) 2.121 0.241 2.900 peak 320 weight 1.00000E+00 volume 2.11452E+05 ppm1 1.125 ppm2 7.161
ASSI { 321} (resid 54 and name HH2) (resid 91 and name HG2#) 2.512 0.594 1.751 peak 321 weight 1.00000E+00 volume 5.81325E+05 ppm1 1.124 ppm2 6.985
OR    {  321}   (resid  91  and  name  HG2#)  (resid  54  and  name  HZ3)
ASSI { 295} (resid 54 and name HZ2) (resid 92 and name HE1) 3.440 0.872 1.344 peak 295 weight 1.00000E+00 volume 8.81891E+04 ppm1 2.284 ppm2 7.084
OR    {  295}   (resid  57  and  name  HD#)   (resid  92  and  name  HE1)
ASSI { 48} (resid 55 and name HA2) (resid 54 and name HB1) 2.523 0.597 1.252 peak 48 weight 1.00000E+00 volume 5.66981E+05 ppm1 3.237 ppm2 0.973
!increased bound by 1A
ASSI { 51} (resid 55 and name HA1) (resid 54 and name HB1) 2.649 0.635 2.265 peak 51 weight 1.00000E+00 volume 4.23159E+05 ppm1 5.147 ppm2 0.976
ASSI { 44} (resid 55 and name HA2) (resid 55 and name HA1) 1.837 0.00 0.184 peak 44 weight 1.00000E+00 volume 3.79940E+06 ppm1 3.238 ppm2 5.192
ASSI { 45} (resid 55 and name HA2) (resid 55 and name HA1) 1.994 0.114 0.199 peak 45 weight 1.00000E+00 volume 2.29636E+05 ppm1 5.157 ppm2 3.255
ASSI { 46} (resid 55 and name HA2) (resid 57 and name HZ) 2.563 0.609 2.256 peak 46 weight 1.00000E+00 volume 4.70293E+04 ppm1 3.237 ppm2 7.262
ASSI { 47} (resid 55 and name HA1) (resid 57 and name HZ) 2.968 0.73 0.297 peak 47 weight 1.00000E+00 volume 2.13648E+05 ppm1 5.145 ppm2 7.279
!ASSI  {  862}   (resid  56  and  name  HB)    (resid  54  and  name  HH2)   3.156  0.947  0.316  peak  862   weight  1.00000E+00  volume  1.24869E+04   ppm1  1.883  ppm2  7.069
!OR    {  862}   (resid  54  and  name  HZ2)   (resid  56  and  name  HB)
ASSI { 876} (resid 56 and name HG11) (resid 54 and name HZ3) 2.948 0.724 1.295 peak 876 weight 1.00000E+00 volume 2.22696E+05 ppm1 1.956 ppm2 7.041
ASSI { 878} (resid 56 and name HG12) (resid 54 and name HZ3) 3.262 0.819 1.326 peak 878 weight 1.00000E+00 volume 8.46096E+03 ppm1 1.250 ppm2 7.055
ASSI { 860} (resid 56 and name HA) (resid 56 and name HB) 3.108 0.772 0.311 peak 860 weight 1.00000E+00 volume 1.73949E+04 ppm1 1.877 ppm2 4.858
ASSI { 866} (resid 56 and name HG12) (resid 56 and name HB) 2.898 0.709 1.29 peak 866 weight 1.00000E+00 volume 1.33275E+04 ppm1 1.881 ppm2 1.273
ASSI { 867} (resid 56 and name HB) (resid 56 and name HG2#) 2.145 0.265 1.715 peak 867 weight 1.00000E+00 volume 7.51052E+04 ppm1 1.881 ppm2 0.863
ASSI { 870} (resid 56 and name HA) (resid 56 and name HG12) 2.510 0.593 1.251 peak 870 weight 1.00000E+00 volume 4.34833E+04 ppm1 4.862 ppm2 1.228
ASSI { 871} (resid 56 and name HA) (resid 56 and name HG2#) 2.438 0.558 1.744 peak 871 weight 1.00000E+00 volume 5.37120E+04 ppm1 4.862 ppm2 0.831
ASSI { 872} (resid 56 and name HA) (resid 56 and name HB) 2.785 0.676 0.279 peak 872 weight 1.00000E+00 volume 3.13145E+05 ppm1 4.860 ppm2 1.890
ASSI { 873} (resid 56 and name HA) (resid 56 and name HG12) 2.797 0.679 1.28 peak 873 weight 1.00000E+00 volume 3.05283E+05 ppm1 1.243 ppm2 4.879
ASSI { 874} (resid 56 and name HA) (resid 56 and name HG11) 2.973 0.732 1.297 peak 874 weight 1.00000E+00 volume 2.11477E+05 ppm1 1.956 ppm2 4.872
ASSI { 879} (resid 56 and name HG12) (resid 56 and name HG11) 2.130 0.25 2.213 peak 879 weight 1.00000E+00 volume 1.08303E+05 ppm1 1.250 ppm2 1.985
ASSI { 880} (resid 56 and name HG12) (resid 56 and name HG11) 2.054 0.174 2.205 peak 880 weight 1.00000E+00 volume 1.65785E+05 ppm1 1.959 ppm2 1.252
ASSI { 881} (resid 56 and name HG11) (resid 56 and name HD1#) 2.278 0.398 2.728 peak 881 weight 1.00000E+00 volume 5.09194E+04 ppm1 1.956 ppm2 0.885
ASSI { 882} (resid 56 and name HG12) (resid 56 and name HD1#) 2.387 0.507 2.739 peak 882 weight 1.00000E+00 volume 5.16682E+04 ppm1 1.250 ppm2 0.919
ASSI { 883} (resid 56 and name HA) (resid 56 and name HG2#) 2.414 0.534 1.741 peak 883 weight 1.00000E+00 volume 9.43445E+04 ppm1 0.829 ppm2 4.900
ASSI { 884} (resid 56 and name HB) (resid 56 and name HG2#) 2.162 0.282 1.716 peak 884 weight 1.00000E+00 volume 1.43122E+06 ppm1 0.833 ppm2 1.904
ASSI { 886} (resid 56 and name HG12) (resid 56 and name HG2#) 2.460 0.578 2.746 peak 886 weight 1.00000E+00 volume 1.15252E+05 ppm1 0.831 ppm2 1.262
ASSI { 894} (resid 56 and name HA) (resid 56 and name HD1#) 2.884 0.705 1.788 peak 894 weight 1.00000E+00 volume 2.53685E+05 ppm1 0.931 ppm2 4.905
ASSI { 898} (resid 56 and name HG11) (resid 56 and name HD1#) 1.999 0.119 2.7 peak 898 weight 1.00000E+00 volume 2.29088E+06 ppm1 0.933 ppm2 1.922
ASSI { 900} (resid 56 and name HG12) (resid 56 and name HD1#) 2.303 0.423 2.73 peak 900 weight 1.00000E+00 volume 9.78356E+05 ppm1 0.930 ppm2 1.245
ASSI { 863} (resid 56 and name HA) (resid 57 and name HD#) 3.413 0.864 2.741 peak 863 weight 1.00000E+00 volume 7.02043E+03 ppm1 4.869 ppm2 7.107
ASSI { 799} (resid 56 and name HD1#) (resid 64 and name HA) 2.761 0.668 1.776 peak 799 weight 1.00000E+00 volume 3.29946E+05 ppm1 4.718 ppm2 0.918
ASSI { 892} (resid 56 and name HD1#) (resid 64 and name HD#) 2.336 0.456 4.134 peak 892 weight 1.00000E+00 volume 3.39885E+04 ppm1 0.923 ppm2 7.084
ASSI { 895} (resid 56 and name HD1#) (resid 64 and name HB2) 2.819 0.686 2.782 peak 895 weight 1.00000E+00 volume 2.91150E+05 ppm1 0.928 ppm2 3.426
ASSI { 897} (resid 56 and name HD1#) (resid 64 and name HB1) 2.558 0.607 2.756 peak 897 weight 1.00000E+00 volume 5.21792E+05 ppm1 0.931 ppm2 2.204
ASSI { 875} (resid 56 and name HG11) (resid 66 and name HE#) 3.138 0.781 3.714 peak 875 weight 1.00000E+00 volume 1.53052E+05 ppm1 1.961 ppm2 6.722
ASSI { 877} (resid 56 and name HG12) (resid 66 and name HE#) 3.287 0.826 3.729 peak 877 weight 1.00000E+00 volume 1.15892E+05 ppm1 1.255 ppm2 6.736
ASSI { 893} (resid 56 and name HD1#) (resid 66 and name HE#) 2.475 0.482 4.147 peak 893 weight 1.00000E+00 volume 6.35779E+05 ppm1 0.931 ppm2 6.758
ASSI { 1731} (resid 56 and name HD1#) (resid 66 and name HB1) 3.174 0.792 2.817 peak 1731 weight 1.00000E+00 volume 2.28584E+04 ppm1 0.929 ppm2 2.992
ASSI { 899} (resid 56 and name HD1#) (resid 79 and name HG12) 2.697 0.649 2.77 peak 899 weight 1.00000E+00 volume 3.79622E+05 ppm1 0.931 ppm2 1.582
ASSI { 901} (resid 56 and name HD1#) (resid 79 and name HD1#) 2.227 0.347 2.723 peak 901 weight 1.00000E+00 volume 1.29143E+05 ppm1 0.930 ppm2 0.428
ASSI { 902} (resid 56 and name HD1#) (resid 79 and name HG11) 2.319 0.439 2.732 peak 902 weight 1.00000E+00 volume 5.40995E+04 ppm1 0.930 ppm2 0.290
ASSI { 1613} (resid 56 and name HA) (resid 89 and name HA) 3.793 0.978 1.379 peak 1613 weight 1.00000E+00 volume 5.00395E+04 ppm1 5.099 ppm2 4.929
ASSI { 309} (resid 56 and name HA) (resid 91 and name HG12) 2.759 0.668 1.276 peak 309 weight 1.00000E+00 volume 1.91500E+04 ppm1 1.639 ppm2 4.860
ASSI { 317} (resid 56 and name HA) (resid 91 and name HG2#) 2.704 0.651 1.77 peak 317 weight 1.00000E+00 volume 3.74175E+05 ppm1 1.126 ppm2 4.868
ASSI { 869} (resid 56 and name HA) (resid 91 and name HG12) 3.381 0.854 1.338 peak 869 weight 1.00000E+00 volume 8.65867E+03 ppm1 4.864 ppm2 1.658
ASSI { 1601} (resid 56 and name HA) (resid 91 and name HG11) 2.812 0.684 1.281 peak 1601 weight 1.00000E+00 volume 3.40518E+04 ppm1 1.215 ppm2 4.879
ASSI { 1607} (resid 56 and name HA) (resid 91 and name HD1#) 2.930 0.719 1.793 peak 1607 weight 1.00000E+00 volume 2.31134E+05 ppm1 0.879 ppm2 4.880
ASSI { 888} (resid 57 and name HD#) (resid 56 and name HG2#) 3.497 0.889 4.25 peak 888 weight 1.00000E+00 volume 3.42063E+03 ppm1 0.822 ppm2 7.092
ASSI { 1525} (resid 57 and name HA) (resid 57 and name HB1) 2.644 0.633 1.264 peak 1525 weight 1.00000E+00 volume 4.27257E+05 ppm1 5.413 ppm2 3.195
ASSI { 1526} (resid 57 and name HA) (resid 57 and name HB2) 2.453 0.573 1.245 peak 1526 weight 1.00000E+00 volume 6.70492E+05 ppm1 5.417 ppm2 2.551
ASSI { 1529} (resid 57 and name HA) (resid 57 and name HD#) 2.829 0.689 2.683 peak 1529 weight 1.00000E+00 volume 2.85150E+05 ppm1 5.415 ppm2 7.087
ASSI { 1530} (resid 57 and name HB2) (resid 57 and name HD#) 2.522 0.597 3.652 peak 1530 weight 1.00000E+00 volume 3.50909E+04 ppm1 2.529 ppm2 7.080
ASSI { 1531} (resid 57 and name HB1) (resid 57 and name HD#) 2.612 0.624 3.661 peak 1531 weight 1.00000E+00 volume 2.48717E+04 ppm1 3.196 ppm2 7.096
ASSI { 1532} (resid 57 and name HA) (resid 57 and name HB2) 2.666 0.64 1.267 peak 1532 weight 1.00000E+00 volume 2.02056E+04 ppm1 2.529 ppm2 5.415
ASSI { 1533} (resid 57 and name HA) (resid 57 and name HB1) 2.855 0.696 1.285 peak 1533 weight 1.00000E+00 volume 2.70036E+05 ppm1 3.201 ppm2 5.415
ASSI { 1535} (resid 57 and name HB2) (resid 57 and name HB1) 2.046 0.166 2.205 peak 1535 weight 1.00000E+00 volume 1.99413E+06 ppm1 2.529 ppm2 3.229
ASSI { 1537} (resid 57 and name HB2) (resid 57 and name HB1) 2.096 0.216 2.21 peak 1537 weight 1.00000E+00 volume 1.72541E+06 ppm1 3.198 ppm2 2.531
ASSI { 855} (resid 57 and name HA) (resid 58 and name HG2#) 3.329 0.839 1.333 peak 855 weight 1.00000E+00 volume 1.23493E+04 ppm1 0.945 ppm2 5.448
ASSI { 1281} (resid 57 and name HA) (resid 62 and name HA) 2.304 0.424 0.230 peak 1281 weight 1.00000E+00 volume 8.96081E+04 ppm1 3.647 ppm2 5.418
ASSI { 1527} (resid 57 and name HA) (resid 62 and name HA) 2.221 0.341 0.222 peak 1527 weight 1.00000E+00 volume 1.21759E+06 ppm1 5.415 ppm2 3.663
ASSI { 1528} (resid 57 and name HA) (resid 63 and name HG1#) 2.740 0.662 1.274 peak 1528 weight 1.00000E+00 volume 3.44943E+05 ppm1 5.420 ppm2 0.917
ASSI { 1729} (resid 57 and name HA) (resid 63 and name HG1#) 3.234 0.81 1.323 peak 1729 weight 1.00000E+00 volume 1.27830E+05 ppm1 0.922 ppm2 5.410
ASSI { 293} (resid 57 and name HD#) (resid 92 and name HE2) 3.306 0.832 3.731 peak 293 weight 1.00000E+00 volume 8.53932E+03 ppm1 2.111 ppm2 7.080
OR    {  293}   (resid  54  and  name  HZ2)   (resid  92  and  name  HE2)
ASSI { 842} (resid 58 and name HA) (resid 58 and name HG1#) 2.208 0.328 1.221 peak 842 weight 1.00000E+00 volume 1.26209E+06 ppm1 4.742 ppm2 0.945
ASSI { 843} (resid 58 and name HB) (resid 58 and name HG1#) 2.043 0.163 1.204 peak 843 weight 1.00000E+00 volume 2.00856E+06 ppm1 2.022 ppm2 0.949
ASSI { 844} (resid 58 and name HA) (resid 58 and name HB) 3.144 0.783 0.314 peak 844 weight 1.00000E+00 volume 8.96665E+02 ppm1 4.739 ppm2 2.035
ASSI { 845} (resid 58 and name HA) (resid 58 and name HB) 3.059 0.758 0.306 peak 845 weight 1.00000E+00 volume 1.44161E+04 ppm1 2.017 ppm2 4.752
ASSI { 846} (resid 58 and name HB) (resid 58 and name HG2#) 2.032 0.152 0.703 peak 846 weight 1.00000E+00 volume 2.38539E+05 ppm1 0.944 ppm2 2.023
ASSI { 853} (resid 58 and name HA) (resid 58 and name HG2#) 2.265 0.385 0.727 peak 853 weight 1.00000E+00 volume 1.47843E+05 ppm1 0.946 ppm2 4.738
ASSI { 856} (resid 58 and name HB) (resid 58 and name HG1#) 1.940 0.06 1.194 peak 856 weight 1.00000E+00 volume 2.63162E+05 ppm1 0.973 ppm2 2.052
ASSI { 859} (resid 58 and name HA) (resid 58 and name HG1#) 2.222 0.342 1.222 peak 859 weight 1.00000E+00 volume 1.21485E+06 ppm1 0.972 ppm2 4.757
ASSI { 850} (resid 58 and name HG2#) (resid 61 and name HG1) 3.215 0.804 2.321 peak 850 weight 1.00000E+00 volume 2.44622E+04 ppm1 0.947 ppm2 2.293
ASSI { 813} (resid 58 and name HB) (resid 63 and name HG2#) 2.452 0.572 0.745 peak 813 weight 1.00000E+00 volume 4.97702E+04 ppm1 1.023 ppm2 2.025
OR    {  813}   (resid  63  and  name  HG2#)  (resid  61  and  name  HB1)
ASSI { 816} (resid 58 and name HB) (resid 63 and name HG1#) 2.768 0.671 1.277 peak 816 weight 1.00000E+00 volume 4.23209E+04 ppm1 0.924 ppm2 2.066
ASSI { 361} (resid 58 and name HG2#) (resid 89 and name HD1#) 2.387 0.387 2.739 peak 361 weight 1.00000E+00 volume 3.48854E+05 ppm1 0.720 ppm2 0.897
ASSI { 364} (resid 58 and name HA) (resid 89 and name HD1#) 3.002 0.741 1.8 peak 364 weight 1.00000E+00 volume 1.99720E+05 ppm1 0.719 ppm2 4.745
ASSI { 848} (resid 58 and name HG2#) (resid 89 and name HD1#) 2.787 0.787 2.779 peak 848 weight 1.00000E+00 volume -3.11760E+05 ppm1 0.944 ppm2 0.760
ASSI { 134} (resid 59 and name HB2) (resid 59 and name HB1) 1.948 0.068 2.195 peak 134 weight 1.00000E+00 volume 2.67325E+06 ppm1 3.284 ppm2 2.805
ASSI { 135} (resid 59 and name HB1) (resid 59 and name HA) 2.760 0.668 1.276 peak 135 weight 1.00000E+00 volume 3.30807E+05 ppm1 3.284 ppm2 4.507
ASSI { 136} (resid 59 and name HB1) (resid 59 and name HA) 2.332 0.452 1.233 peak 136 weight 1.00000E+00 volume 9.60320E+04 ppm1 4.474 ppm2 3.312
ASSI { 137} (resid 59 and name HB2) (resid 59 and name HA) 2.578 0.613 1.258 peak 137 weight 1.00000E+00 volume 7.02810E+04 ppm1 4.475 ppm2 2.818
ASSI { 138} (resid 59 and name HB2) (resid 59 and name HB1) 1.904 0.024 2.19 peak 138 weight 1.00000E+00 volume 2.93919E+05 ppm1 2.805 ppm2 3.318
ASSI { 385} (resid 59 and name HA) (resid 88 and name HB1) 3.232 0.81 1.323 peak 385 weight 1.00000E+00 volume 5.69328E+03 ppm1 3.359 ppm2 4.490
ASSI { 389} (resid 59 and name HA) (resid 88 and name HB2) 3.157 0.787 1.316 peak 389 weight 1.00000E+00 volume 1.47499E+05 ppm1 3.163 ppm2 4.487
ASSI { 840} (resid 60 and name HA2) (resid 60 and name HA1) 2.114 0.234 0.211 peak 840 weight 1.00000E+00 volume 1.00006E+05 ppm1 3.665 ppm2 4.319
ASSI { 841} (resid 60 and name HA2) (resid 60 and name HA1) 2.057 0.177 0.206 peak 841 weight 1.00000E+00 volume 1.63103E+05 ppm1 4.314 ppm2 3.695
ASSI { 822} (resid 61 and name HB2) (resid 61 and name HB1) 1.800 0.00 2.179 peak 822 weight 1.00000E+00 volume 4.43230E+06 ppm1 2.127 ppm2 2.030
ASSI { 823} (resid 61 and name HB1) (resid 61 and name HG2) 1.800 0.00 2.172 peak 823 weight 1.00000E+00 volume 7.24304E+06 ppm1 2.039 ppm2 2.163
ASSI { 824} (resid 61 and name HB2) (resid 61 and name HA) 2.008 0.128 1.201 peak 824 weight 1.00000E+00 volume 1.27301E+05 ppm1 4.711 ppm2 2.127
ASSI { 825} (resid 61 and name HB1) (resid 61 and name HA) 2.312 0.432 1.231 peak 825 weight 1.00000E+00 volume 5.68119E+04 ppm1 4.712 ppm2 2.029
ASSI { 826} (resid 61 and name HA) (resid 61 and name HG1) 2.689 0.647 1.269 peak 826 weight 1.00000E+00 volume 3.07822E+04 ppm1 4.714 ppm2 2.315
ASSI { 827} (resid 61 and name HB1) (resid 61 and name HG1) 2.312 0.432 2.231 peak 827 weight 1.00000E+00 volume 9.57125E+05 ppm1 2.032 ppm2 2.325
ASSI { 828} (resid 61 and name HB2) (resid 61 and name HG1) 2.232 0.352 2.223 peak 828 weight 1.00000E+00 volume 1.18282E+06 ppm1 2.126 ppm2 2.314
ASSI { 829} (resid 61 and name HB1) (resid 61 and name HA) 2.547 0.604 1.255 peak 829 weight 1.00000E+00 volume 3.98627E+04 ppm1 2.035 ppm2 4.725
ASSI { 830} (resid 61 and name HB2) (resid 61 and name HA) 2.720 0.656 1.272 peak 830 weight 1.00000E+00 volume 2.58537E+04 ppm1 2.130 ppm2 4.707
ASSI { 831} (resid 61 and name HG2) (resid 61 and name HG1) 1.800 0.00 2.177 peak 831 weight 1.00000E+00 volume 5.38069E+05 ppm1 2.162 ppm2 2.327
ASSI { 832} (resid 61 and name HG2) (resid 61 and name HG1) 1.800 0.00 2.172 peak 832 weight 1.00000E+00 volume 6.46640E+05 ppm1 2.314 ppm2 2.164
ASSI { 833} (resid 61 and name HB1) (resid 61 and name HG1) 2.423 0.543 2.242 peak 833 weight 1.00000E+00 volume 1.07428E+05 ppm1 2.312 ppm2 2.014
ASSI { 834} (resid 61 and name HB1) (resid 61 and name HG2) 2.581 0.614 2.258 peak 834 weight 1.00000E+00 volume 1.70946E+05 ppm1 2.164 ppm2 2.010
ASSI { 835} (resid 61 and name HA) (resid 61 and name HG2) 2.656 0.637 1.266 peak 835 weight 1.00000E+00 volume 4.05678E+04 ppm1 2.161 ppm2 4.710
ASSI { 837} (resid 61 and name HA) (resid 61 and name HG1) 2.723 0.657 1.272 peak 837 weight 1.00000E+00 volume 4.07646E+04 ppm1 2.313 ppm2 4.715
ASSI { 1280} (resid 62 and name HA) (resid 57 and name HD#) 2.983 0.735 2.698 peak 1280 weight 1.00000E+00 volume 1.97616E+04 ppm1 3.651 ppm2 7.110
ASSI { 1313} (resid 62 and name HB2) (resid 57 and name HE#) 2.877 0.703 3.688 peak 1313 weight 1.00000E+00 volume 2.57655E+05 ppm1 1.291 ppm2 7.223
ASSI { 1314} (resid 62 and name HB1) (resid 57 and name HE#) 3.173 0.792 3.717 peak 1314 weight 1.00000E+00 volume 1.43097E+05 ppm1 1.691 ppm2 7.250
ASSI { 1534} (resid 62 and name HA) (resid 57 and name HB2) 3.349 0.845 1.335 peak 1534 weight 1.00000E+00 volume 1.03589E+05 ppm1 2.528 ppm2 3.674
ASSI { 1536} (resid 62 and name HA) (resid 57 and name HB1) 3.595 0.918 1.359 peak 1536 weight 1.00000E+00 volume 6.77094E+04 ppm1 3.199 ppm2 3.667
!ASSI { 1333} (resid 62 and name HD2) (resid 58 and name HG2#) 2.724 0.817 2.272 peak 1333 weight 1.00000E+00 volume 2.02298E+04 ppm1 1.449 ppm2 0.948
!OR    {  1333}  (resid  62  and  name  HD2)   (resid  58  and  name  HG1#)
ASSI { 1282} (resid 62 and name HA) (resid 62 and name HG2) 2.439 0.559 1.244 peak 1282 weight 1.00000E+00 volume 6.10210E+04 ppm1 3.651 ppm2 0.498
ASSI { 1283} (resid 62 and name HA) (resid 62 and name HG1) 2.592 0.618 1.259 peak 1283 weight 1.00000E+00 volume 3.75541E+04 ppm1 3.654 ppm2 0.828
ASSI { 1284} (resid 62 and name HA) (resid 62 and name HB2) 2.449 0.569 1.245 peak 1284 weight 1.00000E+00 volume 7.31850E+04 ppm1 3.647 ppm2 1.309
ASSI { 1285} (resid 62 and name HA) (resid 62 and name HB1) 2.548 0.604 1.255 peak 1285 weight 1.00000E+00 volume 5.33700E+05 ppm1 3.651 ppm2 1.699
ASSI { 1304} (resid 62 and name HG2) (resid 62 and name HB2) 2.810 0.683 2.281 peak 1304 weight 1.00000E+00 volume 2.96963E+05 ppm1 1.279 ppm2 0.526
ASSI { 1305} (resid 62 and name HG2) (resid 62 and name HB1) 2.771 0.671 2.277 peak 1305 weight 1.00000E+00 volume 3.20876E+04 ppm1 1.690 ppm2 0.503
ASSI { 1306} (resid 62 and name HB2) (resid 62 and name HB1) 1.999 0.119 2.2 peak 1306 weight 1.00000E+00 volume 2.44859E+05 ppm1 1.697 ppm2 1.293
ASSI { 1307} (resid 62 and name HG1) (resid 62 and name HB1) 2.602 0.621 2.26 peak 1307 weight 1.00000E+00 volume 5.36525E+04 ppm1 1.690 ppm2 0.842
ASSI { 1308} (resid 62 and name HB2) (resid 62 and name HB1) 1.971 0.091 2.197 peak 1308 weight 1.00000E+00 volume 2.49051E+06 ppm1 1.286 ppm2 1.714
ASSI { 1309} (resid 62 and name HB1) (resid 62 and name HE2) 2.640 0.632 2.264 peak 1309 weight 1.00000E+00 volume 4.31667E+05 ppm1 1.687 ppm2 2.857
ASSI { 1310} (resid 62 and name HB2) (resid 62 and name HE2) 2.938 0.721 2.294 peak 1310 weight 1.00000E+00 volume 2.27376E+05 ppm1 1.284 ppm2 2.872
ASSI { 1311} (resid 62 and name HA) (resid 62 and name HB1) 2.797 0.679 1.28 peak 1311 weight 1.00000E+00 volume 3.05400E+05 ppm1 1.692 ppm2 3.654
ASSI { 1312} (resid 62 and name HA) (resid 62 and name HB2) 2.637 0.631 1.264 peak 1312 weight 1.00000E+00 volume 4.35006E+05 ppm1 1.286 ppm2 3.669
ASSI { 1315} (resid 62 and name HG1) (resid 62 and name HB2) 2.778 0.673 2.278 peak 1315 weight 1.00000E+00 volume 3.26435E+04 ppm1 1.282 ppm2 0.839
ASSI { 1316} (resid 62 and name HA) (resid 62 and name HG2) 2.507 0.592 1.251 peak 1316 weight 1.00000E+00 volume 6.34602E+04 ppm1 0.497 ppm2 3.668
ASSI { 1317} (resid 62 and name HA) (resid 62 and name HG1) 2.641 0.632 1.264 peak 1317 weight 1.00000E+00 volume 4.30615E+05 ppm1 0.821 ppm2 3.660
ASSI { 1320} (resid 62 and name HG2) (resid 62 and name HE2) 3.044 0.753 2.304 peak 1320 weight 1.00000E+00 volume 1.83660E+05 ppm1 0.500 ppm2 2.828
ASSI { 1322} (resid 62 and name HG1) (resid 62 and name HE2) 2.818 0.686 2.282 peak 1322 weight 1.00000E+00 volume 1.80310E+04 ppm1 0.824 ppm2 2.845
ASSI { 1323} (resid 62 and name HG1) (resid 62 and name HB1) 2.419 0.539 2.242 peak 1323 weight 1.00000E+00 volume 5.68976E+04 ppm1 0.823 ppm2 1.697
ASSI { 1324} (resid 62 and name HG1) (resid 62 and name HD1) 2.364 0.484 2.236 peak 1324 weight 1.00000E+00 volume 7.98400E+04 ppm1 0.819 ppm2 1.468
ASSI { 1325} (resid 62 and name HG1) (resid 62 and name HB2) 2.495 0.588 2.249 peak 1325 weight 1.00000E+00 volume 4.66759E+04 ppm1 0.823 ppm2 1.271
ASSI { 1326} (resid 62 and name HG2) (resid 62 and name HG1) 1.909 0.029 2.191 peak 1326 weight 1.00000E+00 volume 2.68261E+05 ppm1 0.817 ppm2 0.504
ASSI { 1327} (resid 62 and name HG2) (resid 62 and name HG1) 1.880 0 2.188 peak 1327 weight 1.00000E+00 volume 3.52828E+05 ppm1 0.498 ppm2 0.824
ASSI { 1328} (resid 62 and name HG2) (resid 62 and name HB2) 2.513 0.594 2.251 peak 1328 weight 1.00000E+00 volume 5.52931E+04 ppm1 0.500 ppm2 1.287
ASSI { 1329} (resid 62 and name HG2) (resid 62 and name HD1) 2.323 0.443 2.232 peak 1329 weight 1.00000E+00 volume 9.02777E+04 ppm1 0.493 ppm2 1.489
ASSI { 1330} (resid 62 and name HG2) (resid 62 and name HB1) 2.602 0.621 2.26 peak 1330 weight 1.00000E+00 volume 5.28275E+04 ppm1 0.496 ppm2 1.718
ASSI { 1331} (resid 62 and name HD2) (resid 62 and name HE2) 2.689 0.647 2.269 peak 1331 weight 1.00000E+00 volume 1.20023E+04 ppm1 1.453 ppm2 2.846
ASSI { 1332} (resid 62 and name HD1) (resid 62 and name HE2) 2.676 0.643 2.268 peak 1332 weight 1.00000E+00 volume 3.97656E+05 ppm1 1.499 ppm2 2.842
ASSI { 1334} (resid 62 and name HG1) (resid 62 and name HD2) 2.648 0.635 2.265 peak 1334 weight 1.00000E+00 volume 2.73835E+04 ppm1 1.456 ppm2 0.823
ASSI { 1335} (resid 62 and name HG2) (resid 62 and name HD2) 2.677 0.643 2.268 peak 1335 weight 1.00000E+00 volume 3.96741E+05 ppm1 1.456 ppm2 0.516
ASSI { 1336} (resid 62 and name HG1) (resid 62 and name HD2) 2.597 0.619 2.26 peak 1336 weight 1.00000E+00 volume 3.41786E+04 ppm1 1.494 ppm2 0.830
OR    {  1336}  (resid  62  and  name  HG1)   (resid  62  and  name  HD1)
ASSI { 1337} (resid 62 and name HG2) (resid 62 and name HD1) 2.613 0.624 2.261 peak 1337 weight 1.00000E+00 volume 4.58612E+05 ppm1 1.491 ppm2 0.501
ASSI { 1338} (resid 62 and name HB1) (resid 62 and name HE1) 2.503 0.591 2.25 peak 1338 weight 1.00000E+00 volume 5.94259E+05 ppm1 2.761 ppm2 1.714
ASSI { 1339} (resid 62 and name HD2) (resid 62 and name HE1) 2.343 0.463 2.234 peak 1339 weight 1.00000E+00 volume 8.82364E+05 ppm1 2.761 ppm2 1.489
ASSI { 1340} (resid 62 and name HB2) (resid 62 and name HE1) 2.823 0.687 2.282 peak 1340 weight 1.00000E+00 volume 2.88454E+05 ppm1 2.763 ppm2 1.294
ASSI { 1341} (resid 62 and name HG1) (resid 62 and name HE1) 2.626 0.628 2.263 peak 1341 weight 1.00000E+00 volume 4.45240E+05 ppm1 2.761 ppm2 0.829
ASSI { 1344} (resid 62 and name HG1) (resid 62 and name HE2) 2.777 0.673 2.278 peak 1344 weight 1.00000E+00 volume 2.65342E+04 ppm1 2.865 ppm2 0.804
ASSI { 1345} (resid 62 and name HG2) (resid 62 and name HE2) 3.041 0.752 2.304 peak 1345 weight 1.00000E+00 volume 1.78381E+04 ppm1 2.860 ppm2 0.514
ASSI { 1346} (resid 62 and name HG2) (resid 62 and name HE1) 3.036 0.751 2.304 peak 1346 weight 1.00000E+00 volume 1.69223E+04 ppm1 2.761 ppm2 0.494
ASSI { 1347} (resid 62 and name HB1) (resid 62 and name HE2) 2.413 0.533 2.241 peak 1347 weight 1.00000E+00 volume 7.39475E+05 ppm1 2.861 ppm2 1.704
ASSI { 1348} (resid 62 and name HD2) (resid 62 and name HE2) 2.433 0.553 2.243 peak 1348 weight 1.00000E+00 volume 7.87156E+04 ppm1 2.860 ppm2 1.479
ASSI { 1349} (resid 62 and name HB2) (resid 62 and name HE2) 2.760 0.668 2.276 peak 1349 weight 1.00000E+00 volume 4.39760E+04 ppm1 2.860 ppm2 1.294
ASSI { 815} (resid 63 and name HG1#) (resid 56 and name HB) 2.729 0.659 1.273 peak 815 weight 1.00000E+00 volume 3.53849E+05 ppm1 0.922 ppm2 1.886
ASSI { 838} (resid 63 and name HG2#) (resid 61 and name HG1) 3.047 0.754 2.305 peak 838 weight 1.00000E+00 volume 1.70088E+04 ppm1 2.317 ppm2 1.023
ASSI { 839} (resid 63 and name HG2#) (resid 61 and name HG2) 2.962 0.729 2.296 peak 839 weight 1.00000E+00 volume 1.63802E+04 ppm1 2.164 ppm2 1.023
ASSI { 805} (resid 63 and name HB) (resid 63 and name HG1#) 2.032 0.152 1.203 peak 805 weight 1.00000E+00 volume 8.81191E+04 ppm1 2.268 ppm2 0.919
ASSI { 806} (resid 63 and name HB) (resid 63 and name HG2#) 1.986 0.106 0.699 peak 806 weight 1.00000E+00 volume 1.32165E+05 ppm1 2.268 ppm2 1.026
ASSI { 807} (resid 63 and name HA) (resid 63 and name HB) 1.975 0.095 0.198 peak 807 weight 1.00000E+00 volume 2.45998E+06 ppm1 4.544 ppm2 2.271
ASSI { 808} (resid 63 and name HA) (resid 63 and name HG1#) 2.461 0.578 1.246 peak 808 weight 1.00000E+00 volume 6.57737E+05 ppm1 4.545 ppm2 0.887
ASSI { 809} (resid 63 and name HA) (resid 63 and name HG2#) 1.958 0.078 0.696 peak 809 weight 1.00000E+00 volume 2.59465E+06 ppm1 4.543 ppm2 1.045
ASSI { 811} (resid 63 and name HA) (resid 63 and name HB) 2.163 0.283 0.216 peak 811 weight 1.00000E+00 volume 1.42777E+06 ppm1 2.268 ppm2 4.536
ASSI { 812} (resid 63 and name HB) (resid 63 and name HG2#) 1.973 0.093 0.697 peak 812 weight 1.00000E+00 volume 2.47634E+06 ppm1 1.025 ppm2 2.284
ASSI { 814} (resid 63 and name HA) (resid 63 and name HG2#) 2.156 0.276 0.716 peak 814 weight 1.00000E+00 volume 1.45625E+06 ppm1 1.025 ppm2 4.550
ASSI { 817} (resid 63 and name HB) (resid 63 and name HG1#) 2.223 0.343 1.222 peak 817 weight 1.00000E+00 volume 1.34454E+05 ppm1 0.924 ppm2 2.268
ASSI { 819} (resid 63 and name HA) (resid 63 and name HG1#) 2.740 0.662 1.274 peak 819 weight 1.00000E+00 volume 3.45405E+05 ppm1 0.923 ppm2 4.553
ASSI { 791} (resid 64 and name HB1) (resid 56 and name HB) 2.609 0.623 1.261 peak 791 weight 1.00000E+00 volume 3.19660E+04 ppm1 2.195 ppm2 1.878
ASSI { 792} (resid 64 and name HB2) (resid 56 and name HB) 2.692 0.648 1.269 peak 792 weight 1.00000E+00 volume 3.83736E+05 ppm1 3.416 ppm2 1.869
ASSI { 861} (resid 64 and name HB2) (resid 56 and name HB) 3.065 0.759 1.306 peak 861 weight 1.00000E+00 volume 1.72523E+04 ppm1 1.877 ppm2 3.413
ASSI { 865} (resid 64 and name HB1) (resid 56 and name HB) 2.873 0.702 1.287 peak 865 weight 1.00000E+00 volume 2.96909E+04 ppm1 1.878 ppm2 2.203
!resid 57 and name HD#
ASSI { 796} (resid 64 and name HA) (resid 64 and name HD#) 2.238 0.358 2.624 peak 796 weight 1.00000E+00 volume 1.18654E+05 ppm1 4.716 ppm2 7.069
ASSI { 801} (resid 64 and name HB1) (resid 63 and name HG1#) 2.548 0.604 2.255 peak 801 weight 1.00000E+00 volume 2.73644E+04 ppm1 2.190 ppm2 0.901
OR    {  801}   (resid  56  and  name  HD1#)  (resid  64  and  name  HB1)
ASSI { 803} (resid 64 and name HB2) (resid 63 and name HG1#) 2.438 0.558 2.244 peak 803 weight 1.00000E+00 volume 4.18076E+04 ppm1 3.421 ppm2 0.901
OR    {  803}   (resid  56  and  name  HD1#)  (resid  64  and  name  HB2)
ASSI { 818} (resid 64 and name HB2) (resid 63 and name HG1#) 2.886 0.706 2.289 peak 818 weight 1.00000E+00 volume 3.55839E+04 ppm1 0.924 ppm2 3.422
ASSI { 788} (resid 64 and name HA) (resid 64 and name HB1) 2.941 0.722 1.294 peak 788 weight 1.00000E+00 volume 1.43880E+04 ppm1 2.192 ppm2 4.740
ASSI { 789} (resid 64 and name HA) (resid 64 and name HB2) 2.503 0.591 1.25 peak 789 weight 1.00000E+00 volume 4.60979E+04 ppm1 3.413 ppm2 4.722
ASSI { 790} (resid 64 and name HB2) (resid 64 and name HB1) 2.082 0.202 2.208 peak 790 weight 1.00000E+00 volume 1.42287E+05 ppm1 2.195 ppm2 3.418
ASSI { 793} (resid 64 and name HB2) (resid 64 and name HB1) 2.088 0.208 2.209 peak 793 weight 1.00000E+00 volume 1.76227E+06 ppm1 3.422 ppm2 2.197
ASSI { 794} (resid 64 and name HA) (resid 64 and name HB2) 2.242 0.362 1.224 peak 794 weight 1.00000E+00 volume 1.15021E+06 ppm1 4.714 ppm2 3.427
ASSI { 795} (resid 64 and name HA) (resid 64 and name HB1) 2.509 0.593 1.251 peak 795 weight 1.00000E+00 volume 5.85756E+05 ppm1 4.724 ppm2 2.215
ASSI { 797} (resid 64 and name HB2) (resid 64 and name HD#) 2.381 0.501 3.638 peak 797 weight 1.00000E+00 volume 6.96382E+04 ppm1 3.413 ppm2 7.053
ASSI { 798} (resid 64 and name HB1) (resid 64 and name HD#) 2.517 0.595 3.652 peak 798 weight 1.00000E+00 volume 5.75344E+05 ppm1 2.195 ppm2 7.053
ASSI { 112} (resid 64 and name HE#) (resid 78 and name HB2) 2.948 0.724 3.695 peak 112 weight 1.00000E+00 volume 2.19822E+04 ppm1 3.117 ppm2 6.797
ASSI { 535} (resid 64 and name HE#) (resid 79 and name HD1#) 2.477 0.583 4.148 peak 535 weight 1.00000E+00 volume 6.32625E+05 ppm1 0.401 ppm2 6.803
ASSI { 536} (resid 64 and name HD#) (resid 79 and name HD1#) 2.669 0.641 4.167 peak 536 weight 1.00000E+00 volume 4.04230E+05 ppm1 0.401 ppm2 7.034
ASSI { 479} (resid 64 and name HB2) (resid 82 and name HD1#) 3.035 0.751 3.704 peak 479 weight 1.00000E+00 volume 2.91689E+04 ppm1 0.878 ppm2 3.419
ASSI { 782} (resid 65 and name HG2#) (resid 53 and name HB2) 3.443 0.873 2.844 peak 782 weight 1.00000E+00 volume 8.77801E+04 ppm1 0.962 ppm2 2.545
ASSI { 786} (resid 65 and name HG2#) (resid 53 and name HB1) 2.230 0.35 2.723 peak 786 weight 1.00000E+00 volume 1.18891E+06 ppm1 0.964 ppm2 2.087
ASSI { 1342} (resid 65 and name HG2#) (resid 62 and name HE1) 2.887 0.706 2.789 peak 1342 weight 1.00000E+00 volume 2.52490E+05 ppm1 2.763 ppm2 0.959
ASSI { 1343} (resid 65 and name HG2#) (resid 62 and name HE2) 2.919 0.716 2.792 peak 1343 weight 1.00000E+00 volume 2.36106E+05 ppm1 2.858 ppm2 0.964
ASSI { 772} (resid 65 and name HG2#) (resid 65 and name HB) 2.181 0.301 1.718 peak 772 weight 1.00000E+00 volume 1.35810E+06 ppm1 3.756 ppm2 0.991
ASSI { 774} (resid 65 and name HG2#) (resid 65 and name HA) 2.279 0.399 1.728 peak 774 weight 1.00000E+00 volume 1.04250E+06 ppm1 5.248 ppm2 0.964
ASSI { 776} (resid 65 and name HB) (resid 65 and name HA) 2.383 0.503 0.238 peak 776 weight 1.00000E+00 volume 7.14927E+04 ppm1 5.250 ppm2 3.760
ASSI { 778} (resid 65 and name HB) (resid 65 and name HA) 2.368 0.488 0.237 peak 778 weight 1.00000E+00 volume 8.28374E+05 ppm1 3.758 ppm2 5.261
ASSI { 779} (resid 65 and name HG2#) (resid 65 and name HA) 2.222 0.342 1.722 peak 779 weight 1.00000E+00 volume 1.21303E+06 ppm1 0.961 ppm2 5.240
ASSI { 780} (resid 65 and name HG2#) (resid 65 and name HB) 2.086 0.206 1.709 peak 780 weight 1.00000E+00 volume 1.77523E+06 ppm1 0.966 ppm2 3.781
!resid 65 and name HN
ASSI { 592} (resid 64 and name HE#) (resid 75 and name HG2#) 2.191 0.311 4.719 peak 592 weight 1.00000E+00 volume 1.65573E+05 ppm1 0.263 ppm2 6.812
!ASSI { 534} (resid 65 and name HA) (resid 79 and name HD1#) 3.234 0.970 1.823 peak 534 weight 1.00000E+00 volume 1.27680E+05 ppm1 0.405 ppm2 5.353
!inc bound 2A
ASSI { 753} (resid 66 and name HA) (resid 65 and name HN) 2.996 0.739 2.300 peak 753 weight 1.00000E+00 volume 2.40129E+04 ppm1 4.985 ppm2 6.823
!resid 65 and name HN also for 757.
ASSI { 756} (resid 66 and name HB2) (resid 64 and name HE#) 2.810 0.683 2.281 peak 756 weight 1.00000E+00 volume 2.97008E+05 ppm1 3.213 ppm2 6.809
ASSI { 757} (resid 66 and name HB1) (resid 64 and name HE#) 3.002 0.74 1.3 peak 757 weight 1.00000E+00 volume 1.99779E+05 ppm1 2.986 ppm2 6.809
ASSI { 775} (resid 66 and name HB2) (resid 65 and name HA) 2.516 0.545 1.252 peak 775 weight 1.00000E+00 volume 5.46723E+04 ppm1 5.246 ppm2 3.251
OR    {  775}   (resid  55  and  name  HA2)   (resid  65  and  name  HA)
ASSI { 777} (resid 66 and name HD#) (resid 65 and name HA) 3.064 0.759 2.706 peak 777 weight 1.00000E+00 volume 1.76464E+05 ppm1 5.249 ppm2 7.023
OR    {  777}   (resid  65  and  name  HA)    (resid  64  and  name  HD#)
ASSI { 785} (resid 66 and name HB2) (resid 65 and name HG2#) 2.875 0.703 2.788 peak 785 weight 1.00000E+00 volume 3.51067E+04 ppm1 0.964 ppm2 3.237
OR    {  785}   (resid  65  and  name  HG2#)  (resid  55  and  name  HA2)
ASSI { 748} (resid 66 and name HA) (resid 66 and name HB2) 2.109 0.149 1.211 peak 748 weight 1.00000E+00 volume 1.71630E+05 ppm1 4.987 ppm2 3.223
ASSI { 749} (resid 66 and name HA) (resid 66 and name HB1) 2.116 0.146 1.212 peak 749 weight 1.00000E+00 volume 1.67721E+05 ppm1 4.985 ppm2 3.022
ASSI { 754} (resid 66 and name HA) (resid 66 and name HD#) 2.695 0.648 2.669 peak 754 weight 1.00000E+00 volume 3.80735E+04 ppm1 4.984 ppm2 6.991
ASSI { 755} (resid 66 and name HD#) (resid 66 and name HB2) 2.659 0.638 3.666 peak 755 weight 1.00000E+00 volume 1.64987E+04 ppm1 3.214 ppm2 6.982
ASSI { 758} (resid 66 and name HD#) (resid 66 and name HB1) 2.673 0.642 3.667 peak 758 weight 1.00000E+00 volume 4.00734E+05 ppm1 2.989 ppm2 6.987
ASSI { 759} (resid 66 and name HA) (resid 66 and name HB2) 2.687 0.646 1.269 peak 759 weight 1.00000E+00 volume 3.88345E+05 ppm1 3.217 ppm2 4.995
ASSI { 760} (resid 66 and name HA) (resid 66 and name HB1) 2.701 0.65 1.27 peak 760 weight 1.00000E+00 volume 3.76217E+05 ppm1 2.990 ppm2 4.995
ASSI { 761} (resid 66 and name HB2) (resid 66 and name HB1) 2.235 0.255 2.224 peak 761 weight 1.00000E+00 volume 1.17184E+06 ppm1 3.219 ppm2 2.992
ASSI { 762} (resid 66 and name HB2) (resid 66 and name HB1) 2.245 0.265 2.225 peak 762 weight 1.00000E+00 volume 1.14132E+06 ppm1 2.992 ppm2 3.238
ASSI { 586} (resid 66 and name HB2) (resid 75 and name HG2#) 2.658 0.638 2.766 peak 586 weight 1.00000E+00 volume 5.04559E+04 ppm1 0.263 ppm2 3.227
ASSI { 587} (resid 66 and name HB1) (resid 75 and name HG2#) 2.539 0.542 2.754 peak 587 weight 1.00000E+00 volume 7.03526E+04 ppm1 0.263 ppm2 2.997
ASSI { 591} (resid 66 and name HD#) (resid 75 and name HG2#) 2.566 0.54 4.157 peak 591 weight 1.00000E+00 volume 6.90621E+04 ppm1 0.264 ppm2 6.995
ASSI { 750} (resid 66 and name HA) (resid 75 and name HG2#) 3.239 0.812 1.824 peak 750 weight 1.00000E+00 volume 9.95913E+03 ppm1 4.983 ppm2 0.271
ASSI { 751} (resid 66 and name HA) (resid 75 and name HD1#) 3.087 0.766 1.809 peak 751 weight 1.00000E+00 volume 1.53556E+04 ppm1 4.985 ppm2 0.832
ASSI { 752} (resid 66 and name HA) (resid 75 and name HG11) 2.776 0.673 1.278 peak 752 weight 1.00000E+00 volume 2.65751E+04 ppm1 4.986 ppm2 1.002
ASSI { 767} (resid 66 and name HB2) (resid 75 and name HG2#) 3.102 0.771 2.81 peak 767 weight 1.00000E+00 volume 7.63896E+03 ppm1 3.217 ppm2 0.296
ASSI { 768} (resid 66 and name HB1) (resid 75 and name HG2#) 3.038 0.752 2.804 peak 768 weight 1.00000E+00 volume 7.54152E+03 ppm1 2.990 ppm2 0.290
ASSI { 783} (resid 67 and name HB2) (resid 65 and name HG2#) 3.045 0.753 2.804 peak 783 weight 1.00000E+00 volume 1.98483E+04 ppm1 0.962 ppm2 2.761
ASSI { 124} (resid 67 and name HB2) (resid 67 and name HA) 2.311 0.431 1.231 peak 124 weight 1.00000E+00 volume 9.59240E+05 ppm1 5.715 ppm2 2.748
ASSI { 128} (resid 67 and name HB2) (resid 67 and name HA) 2.527 0.598 1.253 peak 128 weight 1.00000E+00 volume 5.14938E+04 ppm1 2.756 ppm2 5.724
ASSI { 129} (resid 67 and name HB1) (resid 67 and name HA) 2.600 0.62 1.26 peak 129 weight 1.00000E+00 volume 4.68255E+04 ppm1 2.665 ppm2 5.724
ASSI { 1726} (resid 67 and name HB1) (resid 67 and name HA) 2.492 0.588 1.249 peak 1726 weight 1.00000E+00 volume 6.09537E+05 ppm1 5.710 ppm2 2.671
ASSI { 1727} (resid 67 and name HB2) (resid 67 and name HB1) 1.819 0.00 2.182 peak 1727 weight 1.00000E+00 volume 4.03587E+06 ppm1 2.755 ppm2 2.678
ASSI { 1728} (resid 67 and name HB2) (resid 67 and name HB1) 1.800 0.00 2.178 peak 1728 weight 1.00000E+00 volume 4.58708E+06 ppm1 2.665 ppm2 2.780
ASSI { 132} (resid 67 and name HB1) (resid 69 and name HB2) 3.230 0.809 2.323 peak 132 weight 1.00000E+00 volume 1.10187E+04 ppm1 2.666 ppm2 1.783
ASSI { 133} (resid 67 and name HB2) (resid 69 and name HB2) 3.235 0.81 1.323 peak 133 weight 1.00000E+00 volume 1.27562E+05 ppm1 2.752 ppm2 1.789
ASSI { 949} (resid 68 and name HB1) (resid 47 and name HB) 2.516 0.556 1.252 peak 949 weight 1.00000E+00 volume 5.75659E+05 ppm1 2.156 ppm2 2.470
ASSI { 962} (resid 68 and name HB1) (resid 47 and name HG2#) 2.377 0.397 2.738 peak 962 weight 1.00000E+00 volume 8.09688E+05 ppm1 1.120 ppm2 2.474
ASSI { 963} (resid 68 and name HG2) (resid 47 and name HG2#) 2.933 0.72 2.793 peak 963 weight 1.00000E+00 volume 2.29521E+05 ppm1 1.115 ppm2 2.944
ASSI { 1756} (resid 68 and name HA) (resid 47 and name HD1#) 2.195 0.235 1.72 peak 1756 weight 1.00000E+00 volume 1.30546E+06 ppm1 0.978 ppm2 4.183
ASSI { 1758} (resid 68 and name HG2) (resid 47 and name HD1#) 2.788 0.676 2.779 peak 1758 weight 1.00000E+00 volume 3.69490E+04 ppm1 0.976 ppm2 2.946
ASSI { 1759} (resid 68 and name HB1) (resid 47 and name HD1#) 2.688 0.646 2.769 peak 1759 weight 1.00000E+00 volume 3.87717E+05 ppm1 0.978 ppm2 2.478
OR    {  1759}  (resid  68  and  name  HB2)   (resid  47  and  name  HD1#)
ASSI { 742} (resid 68 and name HG1) (resid 52 and name HB1) 2.916 0.715 2.292 peak 742 weight 1.00000E+00 volume 1.41468E+04 ppm1 2.276 ppm2 1.474
ASSI { 743} (resid 68 and name HG2) (resid 52 and name HB1) 2.591 0.617 2.259 peak 743 weight 1.00000E+00 volume 3.53202E+04 ppm1 2.915 ppm2 1.490
ASSI { 1352} (resid 68 and name HG2) (resid 52 and name HB2) 2.672 0.642 2.267 peak 1352 weight 1.00000E+00 volume 3.04381E+04 ppm1 1.541 ppm2 2.905
ASSI { 1353} (resid 68 and name HG2) (resid 52 and name HB1) 2.677 0.643 2.268 peak 1353 weight 1.00000E+00 volume 3.45175E+04 ppm1 1.437 ppm2 2.912
ASSI { 1354} (resid 68 and name HB1) (resid 52 and name HB2) 2.905 0.712 2.291 peak 1354 weight 1.00000E+00 volume 1.79466E+04 ppm1 1.543 ppm2 2.469
ASSI { 1355} (resid 68 and name HG1) (resid 52 and name HB2) 3.035 0.75 2.303 peak 1355 weight 1.00000E+00 volume 1.86806E+04 ppm1 1.545 ppm2 2.293
ASSI { 1356} (resid 68 and name HG1) (resid 52 and name HB1) 2.889 0.707 2.289 peak 1356 weight 1.00000E+00 volume 2.18612E+04 ppm1 1.437 ppm2 2.293
ASSI { 1357} (resid 68 and name HB1) (resid 52 and name HB1) 2.862 0.699 1.286 peak 1357 weight 1.00000E+00 volume 2.35660E+04 ppm1 1.437 ppm2 2.469
ASSI { 1732} (resid 68 and name HG2) (resid 52 and name HA) 3.028 0.748 1.303 peak 1732 weight 1.00000E+00 volume 2.14254E+04 ppm1 4.424 ppm2 2.878
ASSI { 1735} (resid 68 and name HG2) (resid 52 and name HG2) 2.783 0.675 1.278 peak 1735 weight 1.00000E+00 volume 3.09978E+04 ppm1 1.214 ppm2 2.868
ASSI { 1736} (resid 68 and name HG2) (resid 52 and name HG1) 2.570 0.611 2.257 peak 1736 weight 1.00000E+00 volume 5.07339E+05 ppm1 1.143 ppm2 2.855
ASSI { 718} (resid 68 and name HA) (resid 68 and name HG2) 2.694 0.648 1.269 peak 718 weight 1.00000E+00 volume 3.82510E+05 ppm1 4.176 ppm2 2.951
ASSI { 730} (resid 68 and name HA) (resid 68 and name HG1) 2.496 0.589 1.25 peak 730 weight 1.00000E+00 volume 3.58984E+04 ppm1 4.175 ppm2 2.293
ASSI { 731} (resid 68 and name HA) (resid 68 and name HB1) 2.311 0.431 1.231 peak 731 weight 1.00000E+00 volume 5.96165E+04 ppm1 4.175 ppm2 2.475
ASSI { 736} (resid 68 and name HA) (resid 68 and name HG1) 2.467 0.58 1.247 peak 736 weight 1.00000E+00 volume 4.52419E+04 ppm1 2.271 ppm2 4.198
ASSI { 737} (resid 68 and name HA) (resid 68 and name HG2) 2.748 0.664 1.275 peak 737 weight 1.00000E+00 volume 2.44909E+04 ppm1 2.918 ppm2 4.206
ASSI { 738} (resid 68 and name HG1) (resid 68 and name HB1) 2.184 0.304 2.218 peak 738 weight 1.00000E+00 volume 1.47334E+05 ppm1 2.274 ppm2 2.485
ASSI { 739} (resid 68 and name HG2) (resid 68 and name HG1) 1.993 0.113 2.199 peak 739 weight 1.00000E+00 volume 2.38188E+05 ppm1 2.279 ppm2 2.934
ASSI { 740} (resid 68 and name HG2) (resid 68 and name HB1) 2.106 0.226 2.211 peak 740 weight 1.00000E+00 volume 1.67527E+06 ppm1 2.921 ppm2 2.469
ASSI { 741} (resid 68 and name HG2) (resid 68 and name HG1) 2.016 0.136 2.202 peak 741 weight 1.00000E+00 volume 2.17749E+06 ppm1 2.918 ppm2 2.276
ASSI { 1721} (resid 68 and name HG2) (resid 68 and name HB1) 2.449 0.569 2.245 peak 1721 weight 1.00000E+00 volume 6.77858E+05 ppm1 2.468 ppm2 2.939
ASSI { 1722} (resid 68 and name HG2) (resid 68 and name HB2) 2.431 0.551 2.243 peak 1722 weight 1.00000E+00 volume 5.97963E+04 ppm1 2.449 ppm2 2.941
ASSI { 1723} (resid 68 and name HA) (resid 68 and name HB2) 2.512 0.594 1.251 peak 1723 weight 1.00000E+00 volume 4.84606E+04 ppm1 2.450 ppm2 4.176
ASSI { 1724} (resid 68 and name HA) (resid 68 and name HB1) 2.572 0.611 1.257 peak 1724 weight 1.00000E+00 volume 5.05344E+05 ppm1 2.469 ppm2 4.176
ASSI { 722} (resid 68 and name HA) (resid 69 and name HG2) 3.296 0.829 1.33 peak 722 weight 1.00000E+00 volume 1.14048E+05 ppm1 4.171 ppm2 1.767
OR    {  722}   (resid  68  and  name  HA)    (resid  69  and  name  HB2)
!resid 68 and name HG2 ( also 1700)
ASSI { 1699} (resid 51 and name HB2) (resid 69 and name HB1) 2.690 0.647 2.269 peak 1699 weight 1.00000E+00 volume 3.85476E+05 ppm1 1.938 ppm2 2.913
ASSI { 1700} (resid 51 and name HB2) (resid 69 and name HB2) 2.825 0.688 2.283 peak 1700 weight 1.00000E+00 volume 1.38471E+04 ppm1 1.775 ppm2 2.908
ASSI { 1692} (resid 69 and name HD2) (resid 69 and name HA) 2.291 0.411 2.600 peak 1692 weight 1.00000E+00 volume 1.01092E+06 ppm1 4.617 ppm2 1.961
ASSI { 1693} (resid 69 and name HB2) (resid 69 and name HA) 2.210 0.33 1.221 peak 1693 weight 1.00000E+00 volume 1.25524E+06 ppm1 4.619 ppm2 1.779
ASSI { 1694} (resid 69 and name HA) (resid 69 and name HG1) 2.290 0.41 1.229 peak 1694 weight 1.00000E+00 volume 1.01358E+06 ppm1 4.621 ppm2 1.299
ASSI { 1695} (resid 69 and name HB1) (resid 69 and name HG1) 2.475 0.583 2.248 peak 1695 weight 1.00000E+00 volume 6.35543E+05 ppm1 1.935 ppm2 1.299
ASSI { 1696} (resid 69 and name HB2) (resid 69 and name HG1) 2.429 0.549 2.243 peak 1696 weight 1.00000E+00 volume 7.11084E+05 ppm1 1.772 ppm2 1.308
ASSI { 1697} (resid 69 and name HB2) (resid 69 and name HB1) 1.841 0.00 2.184 peak 1697 weight 1.00000E+00 volume 3.75170E+06 ppm1 1.936 ppm2 1.795
ASSI { 1698} (resid 69 and name HB2) (resid 69 and name HB1) 1.938 0.058 2.194 peak 1698 weight 1.00000E+00 volume 2.75599E+06 ppm1 1.777 ppm2 1.950
ASSI { 1701} (resid 69 and name HB1) (resid 69 and name HA) 2.588 0.617 1.259 peak 1701 weight 1.00000E+00 volume 4.97086E+04 ppm1 1.936 ppm2 4.640
ASSI { 1702} (resid 69 and name HB2) (resid 69 and name HA) 2.799 0.68 1.28 peak 1702 weight 1.00000E+00 volume 2.57790E+04 ppm1 1.777 ppm2 4.640
ASSI { 1703} (resid 69 and name HG2) (resid 69 and name HG1) 1.916 0.036 2.192 peak 1703 weight 1.00000E+00 volume 2.94917E+06 ppm1 1.759 ppm2 1.307
ASSI { 1704} (resid 69 and name HG2) (resid 69 and name HG1) 1.848 0.00 2.185 peak 1704 weight 1.00000E+00 volume 2.58054E+05 ppm1 1.291 ppm2 1.774
ASSI { 1709} (resid 69 and name HA) (resid 69 and name HG2) 2.736 0.661 1.274 peak 1709 weight 1.00000E+00 volume 2.52254E+04 ppm1 1.766 ppm2 4.623
ASSI { 1710} (resid 69 and name HA) (resid 69 and name HG1) 2.572 0.612 1.257 peak 1710 weight 1.00000E+00 volume 3.94660E+04 ppm1 1.293 ppm2 4.623
ASSI { 711} (resid 70 and name HB1) (resid 66 and name HB1) 3.035 0.751 1.304 peak 711 weight 1.00000E+00 volume 1.86854E+05 ppm1 4.083 ppm2 2.994
OR    {  711}   (resid  74  and  name  HB2)   (resid  70  and  name  HB1)
ASSI { 688} (resid 70 and name HA) (resid 69 and name HB2) 2.630 0.629 1.263 peak 688 weight 1.00000E+00 volume 2.62769E+04 ppm1 4.472 ppm2 1.778
ASSI { 708} (resid 70 and name HB2) (resid 69 and name HB2) 2.874 0.702 1.287 peak 708 weight 1.00000E+00 volume 2.59519E+05 ppm1 4.281 ppm2 1.771
ASSI { 709} (resid 70 and name HB1) (resid 69 and name HB2) 2.642 0.633 2.264 peak 709 weight 1.00000E+00 volume 4.29923E+05 ppm1 4.081 ppm2 1.774
ASSI { 689} (resid 70 and name HB1) (resid 70 and name HA) 2.232 0.162 1.223 peak 689 weight 1.00000E+00 volume 1.79993E+05 ppm1 4.472 ppm2 4.092
ASSI { 712} (resid 70 and name HB2) (resid 70 and name HB1) 2.230 0.27 2.223 peak 712 weight 1.00000E+00 volume 1.18795E+06 ppm1 4.283 ppm2 4.092
ASSI { 713} (resid 70 and name HB2) (resid 70 and name HA) 2.222 0.242 1.222 peak 713 weight 1.00000E+00 volume 2.17216E+05 ppm1 4.283 ppm2 4.471
ASSI { 714} (resid 70 and name HB1) (resid 70 and name HA) 2.290 0.31 1.229 peak 714 weight 1.00000E+00 volume 1.63336E+05 ppm1 4.078 ppm2 4.464
ASSI { 715} (resid 70 and name HB2) (resid 70 and name HB1) 1.941 0.00 2.194 peak 715 weight 1.00000E+00 volume 5.68858E+05 ppm1 4.083 ppm2 4.314
ASSI { 716} (resid 70 and name HB2) (resid 70 and name HA) 2.100 0.22 1.21 peak 716 weight 1.00000E+00 volume 1.70421E+06 ppm1 4.473 ppm2 4.278
ASSI { 599} (resid 70 and name HA) (resid 75 and name HD1#) 2.963 0.729 1.796 peak 599 weight 1.00000E+00 volume 4.38770E+04 ppm1 0.818 ppm2 4.484
ASSI { 600} (resid 70 and name HB2) (resid 75 and name HD1#) 2.186 0.206 2.719 peak 600 weight 1.00000E+00 volume 1.33770E+06 ppm1 0.818 ppm2 4.293
ASSI { 601} (resid 70 and name HB1) (resid 75 and name HD1#) 2.454 0.274 2.745 peak 601 weight 1.00000E+00 volume 6.69349E+05 ppm1 0.818 ppm2 4.106
ASSI { 685} (resid 70 and name HA) (resid 75 and name HD1#) 2.895 0.708 1.789 peak 685 weight 1.00000E+00 volume 2.48392E+05 ppm1 4.470 ppm2 0.842
ASSI { 686} (resid 70 and name HA) (resid 75 and name HG11) 3.261 0.818 1.326 peak 686 weight 1.00000E+00 volume 1.21491E+05 ppm1 4.472 ppm2 1.015
ASSI { 704} (resid 70 and name HB2) (resid 75 and name HG11) 3.007 0.742 2.301 peak 704 weight 1.00000E+00 volume 1.97685E+05 ppm1 4.283 ppm2 1.009
ASSI { 705} (resid 70 and name HB2) (resid 75 and name HD1#) 2.444 0.464 2.744 peak 705 weight 1.00000E+00 volume 6.84945E+05 ppm1 4.284 ppm2 0.830
ASSI { 706} (resid 70 and name HB1) (resid 75 and name HG11) 2.618 0.625 2.262 peak 706 weight 1.00000E+00 volume 4.53915E+05 ppm1 4.084 ppm2 1.002
ASSI { 707} (resid 70 and name HB1) (resid 75 and name HD1#) 2.486 0.486 2.749 peak 707 weight 1.00000E+00 volume 6.19483E+05 ppm1 4.081 ppm2 0.826
ASSI { 67} (resid 71 and name HG2#) (resid 44 and name HA2) 2.872 0.702 1.787 peak 67 weight 1.00000E+00 volume 1.48650E+04 ppm1 3.478 ppm2 1.226
ASSI { 68} (resid 71 and name HG2#) (resid 44 and name HA1) 2.740 0.662 1.774 peak 68 weight 1.00000E+00 volume 2.47085E+04 ppm1 4.113 ppm2 1.226
ASSI { 651} (resid 71 and name HB) (resid 44 and name HA1) 3.286 0.826 0.329 peak 651 weight 1.00000E+00 volume 1.16133E+05 ppm1 4.497 ppm2 4.119
OR    {  651}   (resid  71  and  name  HB)    (resid  70  and  name  HB1)
ASSI { 681} (resid 71 and name HG2#) (resid 44 and name HA1) 2.554 0.606 1.755 peak 681 weight 1.00000E+00 volume 5.26509E+05 ppm1 1.217 ppm2 4.118
OR    {  681}   (resid  71  and  name  HG2#)  (resid  70  and  name  HB1)
ASSI { 679} (resid 71 and name HG2#) (resid 45 and name HA) 2.551 0.605 1.755 peak 679 weight 1.00000E+00 volume 3.45922E+04 ppm1 1.217 ppm2 4.878
ASSI { 994} (resid 71 and name HG2#) (resid 45 and name HA) 2.449 0.569 1.745 peak 994 weight 1.00000E+00 volume 6.77783E+05 ppm1 4.853 ppm2 1.228
ASSI { 997} (resid 71 and name HG2#) (resid 45 and name HB1) 3.134 0.78 2.813 peak 997 weight 1.00000E+00 volume 5.27686E+03 ppm1 3.287 ppm2 1.178
ASSI { 1000} (resid 71 and name HG2#) (resid 45 and name HB2) 2.545 0.603 2.754 peak 1000 weight 1.00000E+00 volume 9.65273E+03 ppm1 2.840 ppm2 1.192
ASSI { 58} (resid 71 and name HG2#) (resid 46 and name HA1) 3.153 0.786 1.815 peak 58 weight 1.00000E+00 volume 1.48616E+05 ppm1 3.580 ppm2 1.205
ASSI { 61} (resid 71 and name HG2#) (resid 46 and name HA2) 3.101 0.77 1.81 peak 61 weight 1.00000E+00 volume 1.64172E+05 ppm1 4.983 ppm2 1.218
ASSI { 678} (resid 71 and name HG2#) (resid 46 and name HA2) 2.874 0.702 1.787 peak 678 weight 1.00000E+00 volume 2.59036E+05 ppm1 1.217 ppm2 4.994
!resid 71 and name HG2#
!ASSI { 687} (resid 69 and name HG1) (resid 70 and name HA) 2.929 0.879 1.793 peak 687 weight 1.00000E+00 volume 2.31376E+05 ppm1 4.472 ppm2 1.235
ASSI { 645} (resid 71 and name HB) (resid 71 and name HA) 2.004 0.124 0.200 peak 645 weight 1.00000E+00 volume 2.15581E+05 ppm1 3.798 ppm2 4.508
ASSI { 647} (resid 71 and name HG2#) (resid 71 and name HA) 2.030 0.15 1.703 peak 647 weight 1.00000E+00 volume 2.28249E+05 ppm1 3.797 ppm2 1.230
ASSI { 649} (resid 71 and name HB) (resid 71 and name HG2#) 1.948 0.068 1.695 peak 649 weight 1.00000E+00 volume 2.67019E+06 ppm1 4.497 ppm2 1.237
ASSI { 650} (resid 71 and name HB) (resid 71 and name HA) 2.104 0.224 0.210 peak 650 weight 1.00000E+00 volume 1.68425E+06 ppm1 4.494 ppm2 3.809
ASSI { 680} (resid 71 and name HB) (resid 71 and name HG2#) 1.825 0.00 1.682 peak 680 weight 1.00000E+00 volume 3.02399E+05 ppm1 1.218 ppm2 4.506
ASSI { 682} (resid 71 and name HG2#) (resid 71 and name HA) 2.012 0.132 1.701 peak 682 weight 1.00000E+00 volume 2.20448E+06 ppm1 1.217 ppm2 3.826
!resid 75 and name HG11
ASSI { 648} (resid 71 and name HA) (resid 72 and name HG2#) 2.841 0.692 1.284 peak 648 weight 1.00000E+00 volume 2.78058E+05 ppm1 3.799 ppm2 1.004
ASSI { 1177} (resid 72 and name HG1#) (resid 20 and name HA) 2.537 0.601 2.254 peak 1177 weight 1.00000E+00 volume 5.47811E+05 ppm1 4.245 ppm2 1.144
ASSI { 83} (resid 72 and name HG2#) (resid 25 and name HA2) 2.493 0.488 1.249 peak 83 weight 1.00000E+00 volume 7.01697E+04 ppm1 3.407 ppm2 1.005
ASSI { 85} (resid 72 and name HG2#) (resid 25 and name HA1) 2.667 0.64 1.267 peak 85 weight 1.00000E+00 volume 5.16725E+04 ppm1 4.386 ppm2 1.006
ASSI { 623} (resid 72 and name HG2#) (resid 25 and name HA1) 2.425 0.445 1.242 peak 623 weight 1.00000E+00 volume 8.50617E+04 ppm1 0.997 ppm2 4.401
ASSI { 627} (resid 72 and name HG2#) (resid 25 and name HA2) 2.206 0.246 1.221 peak 627 weight 1.00000E+00 volume 1.26738E+06 ppm1 0.997 ppm2 3.418
!increased bound 1A. resid 25 and name HA2. resid 44 and name HA1 switched back assignment.
ASSI { 635} (resid 72 and name HG1#) (resid 25 and name HA2) 2.203 0.243 3.22 peak 635 weight 1.00000E+00 volume 8.16697E+04 ppm1 1.142 ppm2 3.447
!increased bound 1A. changed from HG1# to 2#
ASSI { 636} (resid 72 and name HG2#) (resid 25 and name HA1) 2.286 0.246 2.229 peak 636 weight 1.00000E+00 volume 1.12923E+05 ppm1 1.141 ppm2 4.388
ASSI { 617} (resid 72 and name HB) (resid 27 and name HD2#) 2.705 0.651 2.67 peak 617 weight 1.00000E+00 volume 4.09598E+04 ppm1 2.057 ppm2 0.647
!resid 27 and name HA 
!ASSI { 622} (resid 72 and name HG2#) (resid 41 and name HA) 2.738 0.821 1.274 peak 622 weight 1.00000E+00 volume 5.05831E+04 ppm1 0.997 ppm2 4.688
!ASSI { 631} (resid 72 and name HG2#) (resid 27 and name HG) 2.888 0.866 1.289 peak 631 weight 1.00000E+00 volume 2.51852E+05 ppm1 0.996 ppm2 0.364
ASSI { 637} (resid 72 and name HG1#) (resid 27 and name HA) 2.799 0.68 1.28 peak 637 weight 1.00000E+00 volume 4.51840E+04 ppm1 1.138 ppm2 4.691
ASSI { 642} (resid 72 and name HG1#) (resid 27 and name HD2#) 2.555 0.595 3.656 peak 642 weight 1.00000E+00 volume -5.25172E+05 ppm1 1.139 ppm2 0.632
ASSI { 643} (resid 72 and name HG1#) (resid 27 and name HG) 2.860 0.698 1.286 peak 643 weight 1.00000E+00 volume 2.75423E+04 ppm1 1.141 ppm2 0.408
ASSI { 1139} (resid 72 and name HB) (resid 27 and name HA) 2.889 0.707 0.289 peak 1139 weight 1.00000E+00 volume 2.51407E+05 ppm1 4.674 ppm2 2.066
ASSI { 1149} (resid 72 and name HB) (resid 27 and name HB2) 3.038 0.751 1.304 peak 1149 weight 1.00000E+00 volume 1.12910E+04 ppm1 0.980 ppm2 2.067
ASSI { 1154} (resid 72 and name HB) (resid 27 and name HB1) 3.401 0.86 1.34 peak 1154 weight 1.00000E+00 volume 1.68684E+04 ppm1 1.730 ppm2 2.082
ASSI { 1165} (resid 72 and name HB) (resid 27 and name HD2#) 2.338 0.378 2.634 peak 1165 weight 1.00000E+00 volume 8.93910E+05 ppm1 0.627 ppm2 2.063
ASSI { 1167} (resid 72 and name HA) (resid 27 and name HD2#) 2.617 0.625 2.662 peak 1167 weight 1.00000E+00 volume 7.49213E+04 ppm1 0.623 ppm2 3.945
ASSI { 1691} (resid 72 and name HG2#) (resid 27 and name HD2#) 2.856 0.697 3.686 peak 1691 weight 1.00000E+00 volume -2.69003E+05 ppm1 0.995 ppm2 0.597
ASSI { 614} (resid 72 and name HB) (resid 40 and name HB2) 2.564 0.609 1.256 peak 614 weight 1.00000E+00 volume 4.08597E+04 ppm1 2.056 ppm2 3.666
ASSI { 626} (resid 72 and name HG2#) (resid 40 and name HB2) 2.397 0.517 2.24 peak 626 weight 1.00000E+00 volume 7.70646E+05 ppm1 0.997 ppm2 3.632
ASSI { 634} (resid 72 and name HG1#) (resid 40 and name HB2) 1.922 0.042 2.192 peak 634 weight 1.00000E+00 volume 2.64849E+05 ppm1 1.144 ppm2 3.688
ASSI { 1017} (resid 72 and name HB) (resid 40 and name HA) 3.009 0.743 0.301 peak 1017 weight 1.00000E+00 volume 1.97023E+05 ppm1 5.566 ppm2 2.085
ASSI { 1032} (resid 72 and name HB) (resid 40 and name HB2) 2.747 0.664 1.275 peak 1032 weight 1.00000E+00 volume 3.39998E+05 ppm1 3.606 ppm2 2.079
ASSI { 1033} (resid 72 and name HB) (resid 40 and name HB1) 2.829 0.689 1.283 peak 1033 weight 1.00000E+00 volume 2.75720E+04 ppm1 3.688 ppm2 2.074
ASSI { 1772} (resid 72 and name HG2#) (resid 40 and name HA) 2.924 0.717 1.292 peak 1772 weight 1.00000E+00 volume 3.28702E+04 ppm1 5.568 ppm2 1.011
OR    {  1772}  (resid  40  and  name  HA)    (resid  27  and  name  HB2)
ASSI { 1774} (resid 72 and name HG2#) (resid 40 and name HB1) 3.238 0.811 2.324 peak 1774 weight 1.00000E+00 volume 1.61685E+04 ppm1 3.689 ppm2 1.005
ASSI { 1775} (resid 72 and name HG2#) (resid 40 and name HB2) 3.081 0.764 2.308 peak 1775 weight 1.00000E+00 volume 2.36359E+04 ppm1 3.610 ppm2 1.007
ASSI { 726} (resid 72 and name HG2#) (resid 68 and name HA) 2.438 0.558 1.244 peak 726 weight 1.00000E+00 volume 6.95934E+05 ppm1 4.178 ppm2 0.990
ASSI { 733} (resid 72 and name HG1#) (resid 68 and name HA) 2.843 0.693 1.284 peak 733 weight 1.00000E+00 volume 1.01149E+04 ppm1 4.178 ppm2 1.142
ASSI { 744} (resid 72 and name HG1#) (resid 68 and name HG1) 2.717 0.655 2.272 peak 744 weight 1.00000E+00 volume 3.63231E+05 ppm1 2.279 ppm2 1.149
ASSI { 745} (resid 72 and name HG2#) (resid 68 and name HG1) 2.831 0.689 2.283 peak 745 weight 1.00000E+00 volume 2.83680E+05 ppm1 2.281 ppm2 1.003
ASSI { 746} (resid 72 and name HG2#) (resid 68 and name HG2) 2.951 0.725 2.295 peak 746 weight 1.00000E+00 volume 2.21386E+05 ppm1 2.918 ppm2 0.995
ASSI { 747} (resid 72 and name HG1#) (resid 68 and name HG2) 2.878 0.703 2.288 peak 747 weight 1.00000E+00 volume 1.83465E+04 ppm1 2.923 ppm2 1.157
ASSI { 1719} (resid 72 and name HG1#) (resid 68 and name HB1) 2.835 0.691 2.284 peak 1719 weight 1.00000E+00 volume 2.42123E+04 ppm1 2.468 ppm2 1.128
ASSI { 1720} (resid 72 and name HG2#) (resid 68 and name HB2) 2.763 0.669 2.276 peak 1720 weight 1.00000E+00 volume 3.28173E+05 ppm1 2.448 ppm2 1.132
ASSI { 613} (resid 72 and name HA) (resid 72 and name HB) 2.301 0.421 0.230 peak 613 weight 1.00000E+00 volume 9.85746E+05 ppm1 2.056 ppm2 3.923
ASSI { 615} (resid 72 and name HG1#) (resid 72 and name HB) 2.186 0.306 1.219 peak 615 weight 1.00000E+00 volume 1.34882E+05 ppm1 2.057 ppm2 1.161
ASSI { 616} (resid 72 and name HG2#) (resid 72 and name HB) 2.082 0.202 0.708 peak 616 weight 1.00000E+00 volume 2.01671E+05 ppm1 2.052 ppm2 1.006
ASSI { 625} (resid 72 and name HG2#) (resid 72 and name HA) 1.918 0.038 2.692 peak 625 weight 1.00000E+00 volume 2.93879E+06 ppm1 0.997 ppm2 3.940
ASSI { 628} (resid 72 and name HG2#) (resid 72 and name HB) 1.877 0.00 0.688 peak 628 weight 1.00000E+00 volume 3.34482E+06 ppm1 0.997 ppm2 2.064
ASSI { 633} (resid 72 and name HG1#) (resid 72 and name HA) 1.800 0.00 1.175 peak 633 weight 1.00000E+00 volume 6.83653E+05 ppm1 1.139 ppm2 3.916
ASSI { 640} (resid 72 and name HG1#) (resid 72 and name HB) 1.869 0.00 1.187 peak 640 weight 1.00000E+00 volume 3.42690E+06 ppm1 1.141 ppm2 2.055
ASSI { 583} (resid 72 and name HA) (resid 75 and name HG2#) 2.830 0.689 1.283 peak 583 weight 1.00000E+00 volume 2.84286E+05 ppm1 0.264 ppm2 3.938
ASSI { 602} (resid 72 and name HA) (resid 75 and name HD1#) 2.140 0.26 2.714 peak 602 weight 1.00000E+00 volume 2.23965E+05 ppm1 0.818 ppm2 3.936
!resid 75 and name HG12
ASSI { 629} (resid 72 and name HG2#) (resid 27 and name HB2) 2.010 0.13 2.201 peak 629 weight 1.00000E+00 volume 2.21562E+06 ppm1 0.997 ppm2 1.759
ASSI { 641} (resid 72 and name HG1#) (resid 75 and name HG12) 3.166 0.79 2.317 peak 641 weight 1.00000E+00 volume 1.44983E+05 ppm1 1.141 ppm2 1.758
ASSI { 710} (resid 74 and name HB2) (resid 70 and name HB2) 3.229 0.809 1.323 peak 710 weight 1.00000E+00 volume 1.38110E+04 ppm1 4.286 ppm2 3.010
OR    {  710}   (resid  70  and  name  HB2)   (resid  66  and  name  HB1)
ASSI { 122} (resid 74 and name HB2) (resid 74 and name HA) 2.046 0.166 1.205 peak 122 weight 1.00000E+00 volume 1.98043E+05 ppm1 2.984 ppm2 4.650
ASSI { 123} (resid 74 and name HB1) (resid 74 and name HA) 2.363 0.483 1.236 peak 123 weight 1.00000E+00 volume 6.78081E+04 ppm1 2.847 ppm2 4.649
ASSI { 1523} (resid 74 and name HB2) (resid 74 and name HA) 2.313 0.433 1.231 peak 1523 weight 1.00000E+00 volume 9.53836E+05 ppm1 4.683 ppm2 3.031
ASSI { 1524} (resid 74 and name HB2) (resid 74 and name HB1) 2.411 0.531 2.241 peak 1524 weight 1.00000E+00 volume 7.43383E+05 ppm1 3.047 ppm2 2.848
ASSI { 573} (resid 74 and name HB2) (resid 75 and name HG11) 2.974 0.732 2.297 peak 573 weight 1.00000E+00 volume 2.10977E+05 ppm1 1.008 ppm2 3.004
ASSI { 574} (resid 74 and name HB2) (resid 75 and name HG12) 2.945 0.723 2.294 peak 574 weight 1.00000E+00 volume 1.59030E+04 ppm1 1.760 ppm2 3.004
!ASSI { 1684} (resid 75 and name HB) (resid 27 and name HD2#) 2.664 0.799 2.666 peak 1684 weight 1.00000E+00 volume 4.09024E+05 ppm1 1.432 ppm2 0.653
ASSI { 597} (resid 75 and name HD1#) (resid 66 and name HD#) 2.251 0.271 4.125 peak 597 weight 1.00000E+00 volume 1.51410E+05 ppm1 0.817 ppm2 6.965
!ASSI { 598} (resid 75 and name HD1#) (resid 66 and name HE#) 2.676 0.803 4.168 peak 598 weight 1.00000E+00 volume 3.04869E+04 ppm1 0.819 ppm2 6.735
ASSI { 605} (resid 75 and name HD1#) (resid 66 and name HB2) 2.716 0.655 2.772 peak 605 weight 1.00000E+00 volume 4.84836E+04 ppm1 0.818 ppm2 3.232
ASSI { 606} (resid 75 and name HD1#) (resid 66 and name HB1) 2.362 0.382 2.736 peak 606 weight 1.00000E+00 volume 8.41681E+05 ppm1 0.819 ppm2 2.997
ASSI { 763} (resid 75 and name HG12) (resid 66 and name HB1) 3.158 0.787 2.316 peak 763 weight 1.00000E+00 volume 1.47247E+05 ppm1 2.981 ppm2 1.752
ASSI { 764} (resid 75 and name HG12) (resid 66 and name HB2) 3.419 0.866 2.342 peak 764 weight 1.00000E+00 volume 9.15287E+04 ppm1 3.217 ppm2 1.752
ASSI { 765} (resid 75 and name HG11) (resid 66 and name HB2) 3.205 0.802 2.321 peak 765 weight 1.00000E+00 volume 1.34780E+05 ppm1 3.219 ppm2 1.021
ASSI { 766} (resid 75 and name HD1#) (resid 66 and name HB2) 3.199 0.8 2.82 peak 766 weight 1.00000E+00 volume 1.36433E+05 ppm1 3.221 ppm2 0.830
ASSI { 769} (resid 75 and name HD1#) (resid 66 and name HB1) 3.128 0.779 2.813 peak 769 weight 1.00000E+00 volume 1.55893E+05 ppm1 2.990 ppm2 0.818
ASSI { 770} (resid 75 and name HG11) (resid 66 and name HB1) 3.071 0.761 2.307 peak 770 weight 1.00000E+00 volume 1.74332E+05 ppm1 2.986 ppm2 1.021
ASSI { 562} (resid 75 and name HB) (resid 72 and name HA) 2.328 0.348 0.233 peak 562 weight 1.00000E+00 volume 9.17853E+05 ppm1 1.429 ppm2 3.929
OR    {  562}   (resid  73  and  name  HA1)   (resid  75  and  name  HB)
ASSI { 550} (resid 75 and name HA) (resid 75 and name HG2#) 2.161 0.281 1.716 peak 550 weight 1.00000E+00 volume 1.34057E+05 ppm1 3.784 ppm2 0.269
ASSI { 551} (resid 75 and name HD1#) (resid 75 and name HA) 2.700 0.65 1.77 peak 551 weight 1.00000E+00 volume 3.77165E+05 ppm1 3.785 ppm2 0.828
ASSI { 552} (resid 75 and name HG11) (resid 75 and name HA) 2.346 0.466 1.235 peak 552 weight 1.00000E+00 volume 8.76546E+05 ppm1 3.783 ppm2 1.015
ASSI { 553} (resid 75 and name HB) (resid 75 and name HA) 2.539 0.602 0.254 peak 553 weight 1.00000E+00 volume 5.45792E+05 ppm1 3.782 ppm2 1.443
ASSI { 554} (resid 75 and name HB) (resid 75 and name HG2#) 2.256 0.376 1.726 peak 554 weight 1.00000E+00 volume 1.10766E+06 ppm1 1.429 ppm2 0.269
ASSI { 556} (resid 75 and name HB) (resid 75 and name HD1#) 2.472 0.581 1.747 peak 556 weight 1.00000E+00 volume 6.40999E+05 ppm1 1.429 ppm2 0.835
ASSI { 557} (resid 75 and name HB) (resid 75 and name HG11) 2.623 0.627 1.262 peak 557 weight 1.00000E+00 volume 4.48479E+05 ppm1 1.428 ppm2 1.018
ASSI { 558} (resid 75 and name HB) (resid 75 and name HG12) 2.596 0.619 1.26 peak 558 weight 1.00000E+00 volume 4.59581E+04 ppm1 1.428 ppm2 1.767
ASSI { 565} (resid 75 and name HB) (resid 75 and name HA) 3.022 0.747 0.302 peak 565 weight 1.00000E+00 volume 1.99863E+04 ppm1 1.433 ppm2 3.787
ASSI { 566} (resid 75 and name HG11) (resid 75 and name HG2#) 2.655 0.636 2.765 peak 566 weight 1.00000E+00 volume 4.17512E+05 ppm1 1.012 ppm2 0.295
ASSI { 567} (resid 75 and name HG12) (resid 75 and name HG2#) 2.702 0.651 2.77 peak 567 weight 1.00000E+00 volume 2.45989E+04 ppm1 1.762 ppm2 0.270
ASSI { 568} (resid 75 and name HG12) (resid 75 and name HD1#) 2.335 0.455 2.734 peak 568 weight 1.00000E+00 volume 9.01107E+05 ppm1 1.758 ppm2 0.834
ASSI { 569} (resid 75 and name HG12) (resid 75 and name HG11) 2.076 0.196 2.208 peak 569 weight 1.00000E+00 volume 1.82377E+06 ppm1 1.762 ppm2 1.045
ASSI { 570} (resid 75 and name HB) (resid 75 and name HG12) 2.634 0.63 1.263 peak 570 weight 1.00000E+00 volume 4.37523E+05 ppm1 1.768 ppm2 1.442
ASSI { 571} (resid 75 and name HG12) (resid 75 and name HG11) 2.071 0.191 2.207 peak 571 weight 1.00000E+00 volume 1.85358E+06 ppm1 1.014 ppm2 1.777
ASSI { 572} (resid 75 and name HG11) (resid 75 and name HD1#) 2.354 0.474 2.735 peak 572 weight 1.00000E+00 volume 8.57705E+05 ppm1 1.006 ppm2 0.822
ASSI { 575} (resid 75 and name HG12) (resid 75 and name HA) 2.790 0.677 1.279 peak 575 weight 1.00000E+00 volume 2.19045E+04 ppm1 1.760 ppm2 3.800
ASSI { 576} (resid 75 and name HG11) (resid 75 and name HA) 2.696 0.649 1.27 peak 576 weight 1.00000E+00 volume 2.59501E+04 ppm1 1.014 ppm2 3.781
ASSI { 577} (resid 75 and name HB) (resid 75 and name HG11) 2.223 0.343 1.222 peak 577 weight 1.00000E+00 volume 1.21211E+06 ppm1 1.008 ppm2 1.452
ASSI { 579} (resid 75 and name HD1#) (resid 75 and name HG2#) 1.963 0.083 3.196 peak 579 weight 1.00000E+00 volume 3.18451E+05 ppm1 0.265 ppm2 0.809
ASSI { 580} (resid 75 and name HG11) (resid 75 and name HG2#) 2.149 0.269 2.715 peak 580 weight 1.00000E+00 volume 1.48321E+06 ppm1 0.265 ppm2 1.014
ASSI { 581} (resid 75 and name HB) (resid 75 and name HG2#) 1.954 0.074 1.695 peak 581 weight 1.00000E+00 volume 2.62703E+06 ppm1 0.261 ppm2 1.444
ASSI { 582} (resid 75 and name HG12) (resid 75 and name HG2#) 2.319 0.439 2.732 peak 582 weight 1.00000E+00 volume 1.10674E+05 ppm1 0.262 ppm2 1.786
ASSI { 584} (resid 75 and name HA) (resid 75 and name HG2#) 2.164 0.284 1.716 peak 584 weight 1.00000E+00 volume 1.42254E+06 ppm1 0.263 ppm2 3.797
ASSI { 603} (resid 75 and name HD1#) (resid 75 and name HA) 2.674 0.642 1.767 peak 603 weight 1.00000E+00 volume 6.09092E+04 ppm1 0.818 ppm2 3.782
ASSI { 607} (resid 75 and name HG12) (resid 75 and name HD1#) 1.884 0.004 2.688 peak 607 weight 1.00000E+00 volume 3.26536E+06 ppm1 0.818 ppm2 1.770
ASSI { 608} (resid 75 and name HB) (resid 75 and name HD1#) 2.138 0.258 1.714 peak 608 weight 1.00000E+00 volume 1.53194E+06 ppm1 0.818 ppm2 1.447
ASSI { 610} (resid 75 and name HD1#) (resid 75 and name HG2#) 1.889 0.009 3.189 peak 610 weight 1.00000E+00 volume 3.86831E+05 ppm1 0.818 ppm2 0.284
ASSI { 611} (resid 75 and name HG11) (resid 75 and name HD1#) 2.150 0.27 2.715 peak 611 weight 1.00000E+00 volume 8.33944E+05 ppm1 0.818 ppm2 1.017
ASSI { 1769} (resid 75 and name HG12) (resid 75 and name HA) 2.145 0.265 1.214 peak 1769 weight 1.00000E+00 volume 1.18104E+05 ppm1 3.775 ppm2 1.767
ASSI { 542} (resid 75 and name HB) (resid 76 and name HB2) 3.362 0.849 1.336 peak 542 weight 1.00000E+00 volume 1.14814E+04 ppm1 3.595 ppm2 1.439
ASSI { 543} (resid 75 and name HB) (resid 76 and name HB1) 3.419 0.866 1.342 peak 543 weight 1.00000E+00 volume 7.54754E+03 ppm1 3.515 ppm2 1.417
!inc bound 1A
ASSI { 527} (resid 75 and name HD1#) (resid 79 and name HD1#) 2.126 0.246 2.713 peak 527 weight 1.00000E+00 volume 2.41838E+05 ppm1 0.401 ppm2 0.718
ASSI { 528} (resid 75 and name HG11) (resid 79 and name HD1#) 2.058 0.178 2.706 peak 528 weight 1.00000E+00 volume 1.92329E+06 ppm1 0.401 ppm2 0.949
OR    {  528}   (resid  82  and  name  HD1#)  (resid  79  and  name  HD1#)
ASSI { 609} (resid 75 and name HD1#) (resid 79 and name HD1#) 2.886 0.706 1.789 peak 609 weight 1.00000E+00 volume 2.53084E+05 ppm1 0.818 ppm2 0.401
ASSI { 1683} (resid 75 and name HA) (resid 79 and name HD1#) 3.220 0.806 1.822 peak 1683 weight 1.00000E+00 volume 1.30991E+05 ppm1 3.784 ppm2 0.423
ASSI { 585} (resid 76 and name HB2) (resid 75 and name HG2#) 2.652 0.636 2.765 peak 585 weight 1.00000E+00 volume 4.37645E+04 ppm1 0.262 ppm2 3.553
OR    {  585}   (resid  76  and  name  HB1)   (resid  75  and  name  HG2#)
ASSI { 540} (resid 76 and name HB2) (resid 76 and name HB1) 1.800 0.00 2.173 peak 540 weight 1.00000E+00 volume 5.40980E+06 ppm1 3.513 ppm2 3.630
ASSI { 541} (resid 76 and name HB2) (resid 76 and name HB1) 1.800 0.00 2.172 peak 541 weight 1.00000E+00 volume 1.16461E+07 ppm1 3.600 ppm2 3.524
ASSI { 533} (resid 76 and name HB2) (resid 79 and name HD1#) 2.387 0.507 2.739 peak 533 weight 1.00000E+00 volume 9.32379E+04 ppm1 0.402 ppm2 3.545
ASSI { 548} (resid 76 and name HB1) (resid 79 and name HD1#) 3.410 0.863 2.841 peak 548 weight 1.00000E+00 volume 9.28624E+04 ppm1 3.511 ppm2 0.388
OR    {  548}   (resid  27  and  name  HG)    (resid  76  and  name  HB1)
!resid 77 and name HB2; increased bound 1A. 80 HB made ambig
!ASSI { 537} (resid 80 and name HB#) (resid 76 and name HA) 2.476 0.743 2.530 peak 537 weight 1.00000E+00 volume 6.33539E+05 ppm1 4.453 ppm2 2.896
!OR    {  537}   (resid  77  and  name  HB1)   (resid  76  and  name  HA)
ASSI { 114} (resid 77 and name HB2) (resid 77 and name HB1) 1.800 0.00 2.172 peak 114 weight 1.00000E+00 volume 4.51386E+05 ppm1 2.861 ppm2 2.974
ASSI { 115} (resid 77 and name HB2) (resid 77 and name HB1) 1.800 0.00 2.172 peak 115 weight 1.00000E+00 volume 1.37269E+06 ppm1 2.948 ppm2 2.858
ASSI { 116} (resid 77 and name HA) (resid 77 and name HB2) 2.259 0.379 1.226 peak 116 weight 1.00000E+00 volume 8.94102E+04 ppm1 2.948 ppm2 4.436
ASSI { 117} (resid 77 and name HA) (resid 77 and name HB1) 2.165 0.285 1.216 peak 117 weight 1.00000E+00 volume 8.10514E+04 ppm1 2.870 ppm2 4.448
ASSI { 120} (resid 77 and name HA) (resid 77 and name HB2) 1.986 0.106 1.199 peak 120 weight 1.00000E+00 volume 1.87486E+05 ppm1 4.403 ppm2 2.942
ASSI { 121} (resid 77 and name HA) (resid 77 and name HB1) 2.085 0.205 1.208 peak 121 weight 1.00000E+00 volume 1.48764E+05 ppm1 4.401 ppm2 2.852
!resid 77 and name HB2
ASSI { 495} (resid 80 and name HB2) (resid 81 and name HD2) 2.228 0.348 2.223 peak 495 weight 1.00000E+00 volume 1.19339E+06 ppm1 1.682 ppm2 3.002
ASSI { 111} (resid 78 and name HB1) (resid 64 and name HE#) 2.847 0.694 3.685 peak 111 weight 1.00000E+00 volume 2.35414E+04 ppm1 2.252 ppm2 6.808
ASSI { 108} (resid 78 and name HB1) (resid 75 and name HA) 3.049 0.755 1.305 peak 108 weight 1.00000E+00 volume 1.69670E+04 ppm1 2.258 ppm2 3.792
ASSI { 110} (resid 78 and name HB2) (resid 75 and name HA) 2.831 0.689 1.283 peak 110 weight 1.00000E+00 volume 2.83854E+05 ppm1 3.113 ppm2 3.784
ASSI { 560} (resid 78 and name HB1) (resid 75 and name HA) 2.911 0.713 1.291 peak 560 weight 1.00000E+00 volume 1.66070E+04 ppm1 3.785 ppm2 2.271
ASSI { 561} (resid 78 and name HB2) (resid 75 and name HA) 2.477 0.583 1.248 peak 561 weight 1.00000E+00 volume 6.67161E+04 ppm1 3.785 ppm2 3.122
!increased upper bound 2A
ASSI { 538} (resid 78 and name HA) (resid 76 and name HA) 1.971 0.091 3.500 peak 538 weight 1.00000E+00 volume 2.49269E+06 ppm1 4.447 ppm2 4.179
ASSI { 103} (resid 78 and name HB1) (resid 78 and name HB2) 1.907 0.027 2.191 peak 103 weight 1.00000E+00 volume 3.04078E+06 ppm1 2.245 ppm2 3.120
ASSI { 104} (resid 78 and name HB1) (resid 78 and name HB2) 1.896 0.016 2.19 peak 104 weight 1.00000E+00 volume 3.14861E+06 ppm1 3.113 ppm2 2.239
ASSI { 106} (resid 78 and name HA) (resid 78 and name HB2) 2.532 0.6 1.253 peak 106 weight 1.00000E+00 volume 5.54482E+05 ppm1 4.174 ppm2 3.145
ASSI { 107} (resid 78 and name HB1) (resid 78 and name HA) 2.364 0.484 1.236 peak 107 weight 1.00000E+00 volume 8.40181E+04 ppm1 2.261 ppm2 4.180
ASSI { 109} (resid 78 and name HA) (resid 78 and name HB2) 2.597 0.619 1.26 peak 109 weight 1.00000E+00 volume 4.76514E+05 ppm1 3.107 ppm2 4.172
ASSI { 1681} (resid 78 and name HB1) (resid 78 and name HA) 2.304 0.424 1.23 peak 1681 weight 1.00000E+00 volume 9.58545E+04 ppm1 4.176 ppm2 2.264
ASSI { 1679} (resid 78 and name HA) (resid 81 and name HD2) 2.454 0.454 1.245 peak 1679 weight 1.00000E+00 volume 4.32830E+04 ppm1 4.175 ppm2 1.709
ASSI { 481} (resid 78 and name HB1) (resid 82 and name HD1#) 3.191 0.797 3.719 peak 481 weight 1.00000E+00 volume 1.38403E+05 ppm1 0.879 ppm2 2.239
ASSI { 507} (resid 79 and name HB) (resid 36 and name HD2#) 2.556 0.607 2.656 peak 507 weight 1.00000E+00 volume 5.04764E+04 ppm1 1.429 ppm2 1.111
ASSI { 515} (resid 79 and name HG11) (resid 36 and name HD1#) 2.835 0.69 3.683 peak 515 weight 1.00000E+00 volume 2.81572E+05 ppm1 0.265 ppm2 0.934
ASSI { 516} (resid 79 and name HG12) (resid 36 and name HD1#) 2.883 0.705 3.688 peak 516 weight 1.00000E+00 volume 2.54539E+05 ppm1 1.556 ppm2 0.926
!resid 79 and name HB. Inc bound 1A
ASSI { 1573} (resid 37 and name HG2) (resid 36 and name HB2) 2.754 0.666 2.275 peak 1573 weight 1.00000E+00 volume 2.19717E+04 ppm1 1.847 ppm2 1.374
ASSI { 1580} (resid 79 and name HG2#) (resid 36 and name HG) 2.569 0.611 1.757 peak 1580 weight 1.00000E+00 volume 5.08326E+05 ppm1 0.832 ppm2 0.547
!bound increased by 2A
!ASSI  {  1581}  (resid  79  and  name  HB)    (resid  36  and  name  HG)    1.778  0.058  2.178  peak  1581  weight  1.00000E+00  volume  4.62039E+06   ppm1  0.833  ppm2  1.369
ASSI { 1588} (resid 79 and name HB) (resid 36 and name HD1#) 1.927 0.047 2.593 peak 1588 weight 1.00000E+00 volume 4.16369E+05 ppm1 0.936 ppm2 1.360
ASSI { 1670} (resid 79 and name HG2#) (resid 36 and name HD1#) 2.355 0.475 4.135 peak 1670 weight 1.00000E+00 volume 8.56763E+05 ppm1 0.532 ppm2 0.942
ASSI { 1671} (resid 79 and name HG2#) (resid 36 and name HD2#) 2.048 0.168 4.105 peak 1671 weight 1.00000E+00 volume 1.97990E+06 ppm1 0.531 ppm2 1.128
!resid 79 and name HB; resid 37 and name HG2; 
ASSI { 1788} (resid 85 and name HG1) (resid 36 and name HB1) 2.804 0.681 1.28 peak 1788 weight 1.00000E+00 volume 2.33917E+04 ppm1 1.114 ppm2 1.379
ASSI { 1375} (resid 79 and name HG2#) (resid 37 and name HA) 3.175 0.793 1.818 peak 1375 weight 1.00000E+00 volume 1.68856E+04 ppm1 4.838 ppm2 0.557
ASSI { 1677} (resid 79 and name HG2#) (resid 37 and name HA) 2.656 0.637 2.766 peak 1677 weight 1.00000E+00 volume 4.16257E+05 ppm1 0.531 ppm2 4.826
ASSI { 1780} (resid 79 and name HG12) (resid 38 and name HB#) 2.700 0.65 2.77 peak 1780 weight 1.00000E+00 volume 3.77499E+05 ppm1 1.120 ppm2 1.516
ASSI { 520} (resid 79 and name HG11) (resid 64 and name HE#) 3.244 0.813 3.724 peak 520 weight 1.00000E+00 volume 1.31625E+04 ppm1 0.265 ppm2 6.796
ASSI { 521} (resid 79 and name HG11) (resid 64 and name HD#) 3.404 0.861 3.74 peak 521 weight 1.00000E+00 volume 6.92449E+03 ppm1 0.272 ppm2 7.043
ASSI { 522} (resid 79 and name HG12) (resid 64 and name HE#) 3.110 0.773 3.711 peak 522 weight 1.00000E+00 volume 1.37837E+04 ppm1 1.551 ppm2 6.787
ASSI { 523} (resid 79 and name HG12) (resid 64 and name HD#) 3.365 0.849 3.736 peak 523 weight 1.00000E+00 volume 1.04111E+04 ppm1 1.555 ppm2 7.072
ASSI { 596} (resid 79 and name HG12) (resid 75 and name HG2#) 2.683 0.645 2.768 peak 596 weight 1.00000E+00 volume 6.10792E+04 ppm1 0.264 ppm2 1.569
ASSI { 612} (resid 79 and name HD1#) (resid 75 and name HG2#) 2.043 0.163 3.204 peak 612 weight 1.00000E+00 volume 2.00779E+06 ppm1 0.264 ppm2 0.422
ASSI { 508} (resid 79 and name HB) (resid 76 and name HB2) 2.509 0.593 1.251 peak 508 weight 1.00000E+00 volume 5.85852E+05 ppm1 1.429 ppm2 3.545
OR    {  508}   (resid  79  and  name  HB)    (resid  76  and  name  HB1)
ASSI { 1678} (resid 79 and name HG2#) (resid 76 and name HB1) 2.749 0.665 3.775 peak 1678 weight 1.00000E+00 volume 3.38855E+05 ppm1 0.533 ppm2 3.526
ASSI { 501} (resid 79 and name HG12) (resid 79 and name HA) 2.710 0.653 1.271 peak 501 weight 1.00000E+00 volume 3.68534E+05 ppm1 2.995 ppm2 1.580
ASSI { 503} (resid 79 and name HA) (resid 79 and name HB) 2.989 0.737 0.299 peak 503 weight 1.00000E+00 volume 2.04989E+05 ppm1 2.995 ppm2 1.424
ASSI { 505} (resid 79 and name HG2#) (resid 79 and name HA) 2.518 0.595 1.752 peak 505 weight 1.00000E+00 volume 5.50241E+04 ppm1 2.994 ppm2 0.559
ASSI { 506} (resid 79 and name HG11) (resid 79 and name HA) 2.597 0.619 1.26 peak 506 weight 1.00000E+00 volume 4.80916E+04 ppm1 2.994 ppm2 0.293
ASSI { 509} (resid 79 and name HG2#) (resid 79 and name HB) 2.233 0.353 1.723 peak 509 weight 1.00000E+00 volume 1.17908E+06 ppm1 1.433 ppm2 0.564
ASSI { 510} (resid 79 and name HB) (resid 79 and name HD1#) 2.400 0.52 1.74 peak 510 weight 1.00000E+00 volume 7.64589E+05 ppm1 1.431 ppm2 0.434
ASSI { 511} (resid 79 and name HG11) (resid 79 and name HB) 2.501 0.59 1.25 peak 511 weight 1.00000E+00 volume 2.31313E+04 ppm1 1.431 ppm2 0.276
ASSI { 512} (resid 79 and name HG12) (resid 79 and name HA) 2.625 0.627 1.262 peak 512 weight 1.00000E+00 volume 4.69201E+04 ppm1 1.556 ppm2 2.996
ASSI { 513} (resid 79 and name HG11) (resid 79 and name HA) 2.679 0.644 1.268 peak 513 weight 1.00000E+00 volume 3.94975E+05 ppm1 0.264 ppm2 2.986
ASSI { 514} (resid 79 and name HG12) (resid 79 and name HG11) 2.112 0.232 2.211 peak 514 weight 1.00000E+00 volume 1.64575E+06 ppm1 0.271 ppm2 1.548
ASSI { 517} (resid 79 and name HG12) (resid 79 and name HG2#) 2.648 0.634 2.765 peak 517 weight 1.00000E+00 volume 4.23726E+05 ppm1 1.559 ppm2 0.538
ASSI { 518} (resid 79 and name HG12) (resid 79 and name HD1#) 2.210 0.33 2.721 peak 518 weight 1.00000E+00 volume 1.25316E+06 ppm1 1.559 ppm2 0.411
ASSI { 519} (resid 79 and name HG12) (resid 79 and name HG11) 2.053 0.173 2.205 peak 519 weight 1.00000E+00 volume 1.68108E+05 ppm1 1.559 ppm2 0.270
ASSI { 524} (resid 79 and name HG11) (resid 79 and name HD1#) 2.212 0.332 2.721 peak 524 weight 1.00000E+00 volume 1.24792E+06 ppm1 0.265 ppm2 0.397
ASSI { 525} (resid 79 and name HG11) (resid 79 and name HG2#) 2.627 0.628 2.763 peak 525 weight 1.00000E+00 volume 4.44117E+05 ppm1 0.271 ppm2 0.534
ASSI { 526} (resid 79 and name HG11) (resid 79 and name HD1#) 2.632 0.63 2.763 peak 526 weight 1.00000E+00 volume 4.39553E+05 ppm1 0.401 ppm2 0.263
ASSI { 530} (resid 79 and name HB) (resid 79 and name HD1#) 2.114 0.234 1.711 peak 530 weight 1.00000E+00 volume 2.06284E+05 ppm1 0.400 ppm2 1.421
ASSI { 532} (resid 79 and name HA) (resid 79 and name HD1#) 2.503 0.591 1.75 peak 532 weight 1.00000E+00 volume 7.33040E+04 ppm1 0.400 ppm2 3.007
ASSI { 1667} (resid 79 and name HG2#) (resid 79 and name HD1#) 2.231 0.351 3.223 peak 1667 weight 1.00000E+00 volume 1.78382E+05 ppm1 0.532 ppm2 0.359
ASSI { 1672} (resid 79 and name HG2#) (resid 79 and name HB) 1.865 0.00 1.686 peak 1672 weight 1.00000E+00 volume 3.90693E+05 ppm1 0.530 ppm2 1.427
ASSI { 1675} (resid 79 and name HG2#) (resid 79 and name HA) 2.210 0.33 1.721 peak 1675 weight 1.00000E+00 volume 1.25321E+06 ppm1 0.533 ppm2 2.990
ASSI { 480} (resid 79 and name HA) (resid 82 and name HD1#) 3.096 0.769 2.71 peak 480 weight 1.00000E+00 volume 1.65907E+05 ppm1 0.878 ppm2 3.001
ASSI { 504} (resid 79 and name HA) (resid 82 and name HD1#) 3.011 0.743 2.701 peak 504 weight 1.00000E+00 volume 1.96224E+05 ppm1 2.994 ppm2 0.825
ASSI { 1669} (resid 79 and name HG2#) (resid 84 and name HD1#) 2.057 0.177 3.206 peak 1669 weight 1.00000E+00 volume 2.85220E+05 ppm1 0.531 ppm2 0.834
ASSI { 102} (resid 80 and name HA) (resid 79 and name HG2#) 2.782 0.675 1.778 peak 102 weight 1.00000E+00 volume 3.14942E+05 ppm1 4.641 ppm2 0.550
ASSI { 1676} (resid 80 and name HA) (resid 79 and name HG2#) 2.827 0.688 1.783 peak 1676 weight 1.00000E+00 volume 2.86155E+05 ppm1 0.533 ppm2 4.639
ASSI { 98} (resid 80 and name HA) (resid 80 and name HB1) 2.255 0.375 1.225 peak 98 weight 1.00000E+00 volume 9.05303E+04 ppm1 3.060 ppm2 4.639
ASSI { 99} (resid 80 and name HA) (resid 80 and name HB2) 2.432 0.552 1.243 peak 99 weight 1.00000E+00 volume 7.06454E+05 ppm1 2.824 ppm2 4.647
ASSI { 100} (resid 80 and name HA) (resid 80 and name HB2) 2.158 0.278 1.216 peak 100 weight 1.00000E+00 volume 1.44654E+06 ppm1 4.638 ppm2 2.832
ASSI { 101} (resid 80 and name HA) (resid 80 and name HB1) 2.321 0.441 1.232 peak 101 weight 1.00000E+00 volume 9.34968E+05 ppm1 4.642 ppm2 3.033
!resid  80  and  name  HA, added OR statement; removed OR statement and inc bound 1A
ASSI { 473} (resid 64 and name HA) (resid 82 and name HG) 2.919 0.716 2.292 peak 473 weight 1.00000E+00 volume 2.36226E+05 ppm1 0.645 ppm2 4.718
!OR   {  473} (resid  82  and  name  HG) (resid  61  and  name  HA) 
!ASSI { 1662} (resid 81 and name HA) (resid 36 and name HD1#) 2.473 0.742 2.647 peak 1662 weight 1.00000E+00 volume 5.99247E+04 ppm1 4.180 ppm2 0.897
ASSI { 1680} (resid 81 and name HB1) (resid 78 and name HA) 2.202 0.202 2.22 peak 1680 weight 1.00000E+00 volume 7.73064E+04 ppm1 4.176 ppm2 1.934
ASSI { 1520} (resid 81 and name HG2) (resid 79 and name HA) 2.966 0.73 1.297 peak 1520 weight 1.00000E+00 volume 1.38132E+04 ppm1 1.538 ppm2 3.010
ASSI { 1521} (resid 81 and name HG2) (resid 79 and name HA) 3.067 0.76 1.307 peak 1521 weight 1.00000E+00 volume 1.33070E+04 ppm1 1.471 ppm2 3.016
ASSI { 486} (resid 81 and name HB2) (resid 81 and name HA) 2.180 0.3 1.218 peak 486 weight 1.00000E+00 volume 1.36290E+06 ppm1 1.881 ppm2 4.194
ASSI { 487} (resid 81 and name HB1) (resid 81 and name HA) 2.322 0.442 1.232 peak 487 weight 1.00000E+00 volume 9.33465E+05 ppm1 1.926 ppm2 4.203
ASSI { 491} (resid 81 and name HB1) (resid 81 and name HG2) 2.566 0.61 2.257 peak 491 weight 1.00000E+00 volume 4.89107E+04 ppm1 1.473 ppm2 1.898
ASSI { 493} (resid 81 and name HA) (resid 81 and name HG2) 2.893 0.708 1.289 peak 493 weight 1.00000E+00 volume 2.49404E+05 ppm1 1.471 ppm2 4.230
ASSI { 494} (resid 81 and name HA) (resid 81 and name HG2) 2.756 0.667 1.276 peak 494 weight 1.00000E+00 volume 3.33422E+05 ppm1 1.544 ppm2 4.202
ASSI { 496} (resid 81 and name HB2) (resid 81 and name HD2) 1.800 0.00 2.172 peak 496 weight 1.00000E+00 volume -6.27203E+06 ppm1 1.691 ppm2 1.892
ASSI { 497} (resid 81 and name HB1) (resid 81 and name HD2) 2.325 0.445 2.233 peak 497 weight 1.00000E+00 volume 3.53812E+04 ppm1 1.689 ppm2 2.008
ASSI { 498} (resid 81 and name HA) (resid 81 and name HD2) 2.717 0.655 1.272 peak 498 weight 1.00000E+00 volume 3.05276E+04 ppm1 1.684 ppm2 4.181
ASSI { 1658} (resid 81 and name HA) (resid 81 and name HD2) 2.424 0.544 1.242 peak 1658 weight 1.00000E+00 volume 6.44684E+04 ppm1 4.181 ppm2 1.707
ASSI { 1659} (resid 81 and name HA) (resid 81 and name HG2) 2.342 0.462 1.234 peak 1659 weight 1.00000E+00 volume 8.85961E+05 ppm1 4.180 ppm2 1.576
ASSI { 1660} (resid 81 and name HB1) (resid 81 and name HA) 1.935 0.055 1.193 peak 1660 weight 1.00000E+00 volume 2.78746E+06 ppm1 4.181 ppm2 1.909
ASSI { 471} (resid 82 and name HG) (resid 64 and name HB2) 2.428 0.548 1.243 peak 471 weight 1.00000E+00 volume 7.12503E+05 ppm1 0.640 ppm2 3.427
ASSI { 474} (resid 82 and name HG) (resid 64 and name HE#) 3.129 0.779 2.713 peak 474 weight 1.00000E+00 volume 1.55649E+05 ppm1 0.642 ppm2 6.823
ASSI { 476} (resid 82 and name HG) (resid 64 and name HD#) 2.500 0.59 2.65 peak 476 weight 1.00000E+00 volume 5.98659E+05 ppm1 0.641 ppm2 7.055
ASSI { 477} (resid 82 and name HD1#) (resid 64 and name HD#) 2.941 0.722 5.094 peak 477 weight 1.00000E+00 volume 2.25861E+05 ppm1 0.877 ppm2 7.060
ASSI { 469} (resid 82 and name HG) (resid 78 and name HB1) 2.500 0.59 1.25 peak 469 weight 1.00000E+00 volume 5.98492E+05 ppm1 0.644 ppm2 2.249
ASSI { 457} (resid 82 and name HB1) (resid 79 and name HA) 3.179 0.794 1.318 peak 457 weight 1.00000E+00 volume 1.41526E+05 ppm1 1.775 ppm2 3.005
ASSI { 458} (resid 82 and name HB2) (resid 79 and name HA) 3.062 0.758 1.306 peak 458 weight 1.00000E+00 volume 1.77445E+05 ppm1 1.391 ppm2 2.987
ASSI { 470} (resid 82 and name HG) (resid 79 and name HA) 2.438 0.558 2.244 peak 470 weight 1.00000E+00 volume 6.95189E+05 ppm1 0.641 ppm2 2.999
ASSI { 500} (resid 82 and name HB1) (resid 79 and name HA) 2.960 0.728 1.296 peak 500 weight 1.00000E+00 volume 2.17113E+05 ppm1 2.995 ppm2 1.781
ASSI { 451} (resid 82 and name HA) (resid 82 and name HG) 2.943 0.723 0.294 peak 451 weight 1.00000E+00 volume 2.78783E+04 ppm1 4.075 ppm2 0.669
ASSI { 452} (resid 82 and name HA) (resid 82 and name HD1#) 2.012 0.132 3.501 peak 452 weight 1.00000E+00 volume 2.20124E+06 ppm1 4.078 ppm2 0.885
ASSI { 453} (resid 82 and name HB2) (resid 82 and name HA) 2.257 0.377 1.226 peak 453 weight 1.00000E+00 volume 1.36825E+05 ppm1 4.076 ppm2 1.401
ASSI { 454} (resid 82 and name HB1) (resid 82 and name HA) 2.166 0.286 1.217 peak 454 weight 1.00000E+00 volume 1.64892E+05 ppm1 4.078 ppm2 1.758
ASSI { 455} (resid 82 and name HB2) (resid 82 and name HA) 2.580 0.614 1.258 peak 455 weight 1.00000E+00 volume 2.75076E+04 ppm1 1.390 ppm2 4.084
ASSI { 456} (resid 82 and name HB1) (resid 82 and name HA) 2.994 0.738 1.299 peak 456 weight 1.00000E+00 volume 2.03000E+05 ppm1 1.779 ppm2 4.102
ASSI { 459} (resid 82 and name HB2) (resid 82 and name HB1) 1.925 0.045 2.193 peak 459 weight 1.00000E+00 volume 2.86815E+06 ppm1 1.391 ppm2 1.760
ASSI { 460} (resid 82 and name HB2) (resid 82 and name HB1) 2.209 0.329 2.221 peak 460 weight 1.00000E+00 volume 1.25711E+06 ppm1 1.783 ppm2 1.408
ASSI { 461} (resid 82 and name HB2) (resid 82 and name HD1#) 2.392 0.512 4.539 peak 461 weight 1.00000E+00 volume 7.79719E+05 ppm1 1.390 ppm2 0.895
ASSI { 462} (resid 82 and name HB2) (resid 82 and name HG) 2.511 0.593 1.251 peak 462 weight 1.00000E+00 volume 5.83002E+05 ppm1 1.390 ppm2 0.660
ASSI { 463} (resid 82 and name HB1) (resid 82 and name HG) 2.854 0.696 1.285 peak 463 weight 1.00000E+00 volume 2.70310E+05 ppm1 1.778 ppm2 0.655
ASSI { 464} (resid 82 and name HB1) (resid 82 and name HD1#) 2.806 0.682 4.581 peak 464 weight 1.00000E+00 volume 2.99104E+05 ppm1 1.784 ppm2 0.881
ASSI { 466} (resid 82 and name HG) (resid 82 and name HD1#) 1.925 0.045 3.492 peak 466 weight 1.00000E+00 volume 2.05007E+05 ppm1 0.644 ppm2 0.902
ASSI { 467} (resid 82 and name HB2) (resid 82 and name HG) 2.276 0.396 1.228 peak 467 weight 1.00000E+00 volume 1.45725E+05 ppm1 0.644 ppm2 1.411
ASSI { 468} (resid 82 and name HB1) (resid 82 and name HG) 1.815 0.00 1.181 peak 468 weight 1.00000E+00 volume 4.09263E+06 ppm1 0.644 ppm2 1.769
ASSI { 472} (resid 82 and name HA) (resid 82 and name HG) 2.739 0.662 1.274 peak 472 weight 1.00000E+00 volume 3.45703E+05 ppm1 0.644 ppm2 4.118
ASSI { 478} (resid 82 and name HA) (resid 82 and name HD1#) 1.876 0.00 3.488 peak 478 weight 1.00000E+00 volume 4.04103E+05 ppm1 0.880 ppm2 4.099
ASSI { 482} (resid 82 and name HB1) (resid 82 and name HD1#) 1.832 0.00 4.483 peak 482 weight 1.00000E+00 volume 3.86516E+06 ppm1 0.879 ppm2 1.772
ASSI { 483} (resid 82 and name HB2) (resid 82 and name HD1#) 2.337 0.457 4.534 peak 483 weight 1.00000E+00 volume 8.96990E+05 ppm1 0.880 ppm2 1.417
ASSI { 484} (resid 82 and name HG) (resid 82 and name HD1#) 2.071 0.191 3.507 peak 484 weight 1.00000E+00 volume 1.85304E+06 ppm1 0.881 ppm2 0.644
ASSI { 96} (resid 83 and name HB2) (resid 36 and name HD2#) 3.201 0.8 3.72 peak 96 weight 1.00000E+00 volume 1.45918E+04 ppm1 3.063 ppm2 1.158
ASSI { 97} (resid 83 and name HB1) (resid 36 and name HD2#) 3.096 0.769 3.71 peak 97 weight 1.00000E+00 volume 1.56180E+04 ppm1 3.187 ppm2 1.165
ASSI { 88} (resid 83 and name HA) (resid 83 and name HB2) 2.268 0.388 1.227 peak 88 weight 1.00000E+00 volume 1.07488E+06 ppm1 4.436 ppm2 3.076
ASSI { 89} (resid 83 and name HA) (resid 83 and name HB1) 2.123 0.243 1.212 peak 89 weight 1.00000E+00 volume 8.91450E+04 ppm1 4.435 ppm2 3.191
ASSI { 90} (resid 83 and name HA) (resid 83 and name HB2) 2.226 0.346 1.223 peak 90 weight 1.00000E+00 volume 1.17041E+05 ppm1 3.059 ppm2 4.428
ASSI { 91} (resid 83 and name HA) (resid 83 and name HB1) 2.207 0.327 1.221 peak 91 weight 1.00000E+00 volume 1.20465E+05 ppm1 3.186 ppm2 4.428
ASSI { 92} (resid 83 and name HB2) (resid 83 and name HB1) 1.800 0.00 2.172 peak 92 weight 1.00000E+00 volume 6.85729E+06 ppm1 3.187 ppm2 3.071
ASSI { 93} (resid 83 and name HB2) (resid 83 and name HB1) 1.800 0.00 2.175 peak 93 weight 1.00000E+00 volume 5.01318E+06 ppm1 3.065 ppm2 3.214
!increased bound 1A
ASSI { 440} (resid 84 and name HA) (resid 36 and name HG) 2.324 0.444 1.232 peak 440 weight 1.00000E+00 volume 1.03029E+05 ppm1 3.755 ppm2 0.824
ASSI { 442} (resid 84 and name HB) (resid 36 and name HG) 2.108 0.228 2.211 peak 442 weight 1.00000E+00 volume 9.67899E+04 ppm1 1.784 ppm2 0.802
ASSI { 1591} (resid 84 and name HG12) (resid 36 and name HD1#) 2.910 0.713 3.691 peak 1591 weight 1.00000E+00 volume 2.40752E+05 ppm1 0.936 ppm2 1.603
!ASSI { 847} (resid 84 and name HG12) (resid 58 and name HG2#) 2.875 0.862 2.287 peak 847 weight 1.00000E+00 volume 2.58894E+05 ppm1 0.948 ppm2 1.585
OR    {  847}   (resid  89  and  name  HG11)  (resid  58  and  name  HG2#)
ASSI { 1673} (resid 84 and name HG12) (resid 79 and name HG2#) 2.397 0.517 2.74 peak 1673 weight 1.00000E+00 volume 7.14789E+04 ppm1 0.532 ppm2 1.592
ASSI { 437} (resid 84 and name HA) (resid 84 and name HB) 2.646 0.634 0.265 peak 437 weight 1.00000E+00 volume 4.25814E+05 ppm1 3.753 ppm2 1.807
ASSI { 438} (resid 84 and name HA) (resid 84 and name HG12) 2.632 0.63 1.263 peak 438 weight 1.00000E+00 volume 4.39084E+05 ppm1 3.755 ppm2 1.635
ASSI { 439} (resid 84 and name HA) (resid 84 and name HG11) 2.469 0.581 1.247 peak 439 weight 1.00000E+00 volume 6.74091E+04 ppm1 3.756 ppm2 0.992
ASSI { 441} (resid 84 and name HA) (resid 84 and name HB) 3.023 0.747 0.302 peak 441 weight 1.00000E+00 volume 1.23902E+04 ppm1 1.790 ppm2 3.740
ASSI { 443} (resid 84 and name HA) (resid 84 and name HG11) 2.545 0.603 1.254 peak 443 weight 1.00000E+00 volume 3.49370E+04 ppm1 1.002 ppm2 3.774
ASSI { 444} (resid 84 and name HA) (resid 84 and name HG12) 2.699 0.65 1.27 peak 444 weight 1.00000E+00 volume 2.91478E+04 ppm1 1.618 ppm2 3.719
ASSI { 445} (resid 84 and name HG12) (resid 84 and name HG11) 1.942 0.062 2.194 peak 445 weight 1.00000E+00 volume 1.06723E+05 ppm1 0.991 ppm2 1.602
ASSI { 446} (resid 84 and name HG12) (resid 84 and name HG11) 2.057 0.177 2.206 peak 446 weight 1.00000E+00 volume 1.43886E+05 ppm1 1.614 ppm2 0.983
ASSI { 447} (resid 84 and name HB) (resid 84 and name HG2#) 2.101 0.221 1.71 peak 447 weight 1.00000E+00 volume 1.57222E+05 ppm1 0.804 ppm2 1.830
ASSI { 448} (resid 84 and name HG12) (resid 84 and name HG2#) 2.597 0.619 2.76 peak 448 weight 1.00000E+00 volume 3.90702E+04 ppm1 0.807 ppm2 1.637
ASSI { 449} (resid 84 and name HG11) (resid 84 and name HG2#) 3.035 0.751 2.804 peak 449 weight 1.00000E+00 volume 1.86890E+05 ppm1 0.803 ppm2 1.026
ASSI { 450} (resid 84 and name HA) (resid 84 and name HG2#) 2.428 0.548 1.743 peak 450 weight 1.00000E+00 volume 7.12476E+05 ppm1 0.807 ppm2 3.764
ASSI { 1639} (resid 84 and name HB) (resid 84 and name HG12) 2.836 0.691 1.284 peak 1639 weight 1.00000E+00 volume 2.19581E+04 ppm1 1.787 ppm2 1.633
ASSI { 1646} (resid 84 and name HB) (resid 84 and name HD1#) 2.047 0.167 1.705 peak 1646 weight 1.00000E+00 volume 1.98488E+06 ppm1 0.784 ppm2 1.826
ASSI { 1648} (resid 84 and name HA) (resid 84 and name HD1#) 2.803 0.681 1.78 peak 1648 weight 1.00000E+00 volume 4.16737E+04 ppm1 0.786 ppm2 3.758
ASSI { 1649} (resid 84 and name HG12) (resid 84 and name HD1#) 2.074 0.194 2.707 peak 1649 weight 1.00000E+00 volume 1.72764E+05 ppm1 0.786 ppm2 1.639
ASSI { 1650} (resid 84 and name HG11) (resid 84 and name HD1#) 1.953 0.073 2.695 peak 1650 weight 1.00000E+00 volume 2.54491E+05 ppm1 0.786 ppm2 0.992
ASSI { 187} (resid 85 and name HB2) (resid 34 and name HA) 2.649 0.635 2.265 peak 187 weight 1.00000E+00 volume 4.64061E+04 ppm1 4.601 ppm2 1.764
!OR    {  187}   (resid  84  and  name  HB)    (resid  34  and  name  HA)
ASSI { 421} (resid 85 and name HA) (resid 84 and name HG2#) 2.580 0.614 1.758 peak 421 weight 1.00000E+00 volume 4.95691E+05 ppm1 5.299 ppm2 0.734
ASSI { 414} (resid 85 and name HA) (resid 85 and name HB2) 2.616 0.625 1.262 peak 414 weight 1.00000E+00 volume 4.55920E+05 ppm1 1.767 ppm2 5.303
ASSI { 415} (resid 85 and name HA) (resid 85 and name HB1) 2.883 0.705 1.288 peak 415 weight 1.00000E+00 volume 2.54388E+05 ppm1 1.653 ppm2 5.309
ASSI { 417} (resid 85 and name HA) (resid 85 and name HB2) 2.361 0.481 1.236 peak 417 weight 1.00000E+00 volume 4.00150E+04 ppm1 5.299 ppm2 1.778
ASSI { 418} (resid 85 and name HA) (resid 85 and name HB1) 2.545 0.604 1.255 peak 418 weight 1.00000E+00 volume 2.17358E+04 ppm1 5.298 ppm2 1.670
ASSI { 419} (resid 85 and name HA) (resid 85 and name HG2) 2.950 0.725 1.295 peak 419 weight 1.00000E+00 volume 7.38318E+03 ppm1 5.302 ppm2 1.395
ASSI { 420} (resid 85 and name HA) (resid 85 and name HG1) 2.589 0.617 1.259 peak 420 weight 1.00000E+00 volume 1.65723E+04 ppm1 5.299 ppm2 1.305
ASSI { 423} (resid 85 and name HB2) (resid 85 and name HG1) 2.825 0.688 2.283 peak 423 weight 1.00000E+00 volume 2.87354E+05 ppm1 1.767 ppm2 1.428
ASSI { 426} (resid 85 and name HB1) (resid 85 and name HG1) 2.977 0.733 2.298 peak 426 weight 1.00000E+00 volume 2.10105E+05 ppm1 1.653 ppm2 1.424
ASSI { 428} (resid 85 and name HB1) (resid 85 and name HE2) 3.605 0.922 2.361 peak 428 weight 1.00000E+00 volume 9.72423E+03 ppm1 1.657 ppm2 2.986
ASSI { 429} (resid 85 and name HB2) (resid 85 and name HE2) 3.360 0.848 2.336 peak 429 weight 1.00000E+00 volume 7.77779E+03 ppm1 1.769 ppm2 2.986
ASSI { 430} (resid 85 and name HA) (resid 85 and name HE2) 3.426 0.868 1.343 peak 430 weight 1.00000E+00 volume 3.03311E+03 ppm1 5.293 ppm2 2.993
ASSI { 431} (resid 85 and name HG1) (resid 85 and name HE2) 2.878 0.704 2.288 peak 431 weight 1.00000E+00 volume 1.74120E+04 ppm1 1.416 ppm2 2.989
ASSI { 432} (resid 85 and name HA) (resid 85 and name HG1) 3.073 0.762 1.307 peak 432 weight 1.00000E+00 volume 1.16435E+04 ppm1 1.414 ppm2 5.301
ASSI { 435} (resid 85 and name HA) (resid 85 and name HE2) 3.209 0.803 1.321 peak 435 weight 1.00000E+00 volume 1.54607E+04 ppm1 2.977 ppm2 5.357
ASSI { 852} (resid 86 and name HA2) (resid 58 and name HG2#) 3.023 0.747 1.302 peak 852 weight 1.00000E+00 volume 2.81359E+04 ppm1 0.948 ppm2 4.295
ASSI { 858} (resid 86 and name HA2) (resid 58 and name HG1#) 2.810 0.683 1.281 peak 858 weight 1.00000E+00 volume 2.96582E+05 ppm1 0.973 ppm2 4.289
ASSI { 6} (resid 86 and name HA2) (resid 86 and name HA1) 2.263 0.383 0.226 peak 6 weight 1.00000E+00 volume 1.08757E+06 ppm1 3.641 ppm2 4.317
ASSI { 7} (resid 86 and name HA2) (resid 86 and name HA1) 2.246 0.366 0.225 peak 7 weight 1.00000E+00 volume 1.13784E+06 ppm1 4.330 ppm2 3.637
ASSI { 8} (resid 86 and name HA1) (resid 87 and name HA) 2.592 0.618 0.259 peak 8 weight 1.00000E+00 volume 4.82919E+04 ppm1 3.640 ppm2 4.705
ASSI { 9} (resid 86 and name HA2) (resid 87 and name HA) 2.782 0.675 0.278 peak 9 weight 1.00000E+00 volume 2.89713E+04 ppm1 4.327 ppm2 4.692
ASSI { 12} (resid 86 and name HA1) (resid 87 and name HA) 2.295 0.415 0.230 peak 12 weight 1.00000E+00 volume 1.05193E+05 ppm1 4.689 ppm2 3.635
ASSI { 1625} (resid 86 and name HA2) (resid 87 and name HA) 2.577 0.613 0.258 peak 1625 weight 1.00000E+00 volume 4.25784E+04 ppm1 4.687 ppm2 4.357
ASSI { 363} (resid 86 and name HA2) (resid 89 and name HD1#) 2.803 0.681 1.78 peak 363 weight 1.00000E+00 volume 3.01104E+05 ppm1 0.721 ppm2 4.288
ASSI { 1619} (resid 86 and name HA2) (resid 89 and name HG11) 3.096 0.769 1.31 peak 1619 weight 1.00000E+00 volume 1.04014E+04 ppm1 1.535 ppm2 4.261
ASSI { 849} (resid 87 and name HB2) (resid 58 and name HG2#) 3.336 0.841 2.334 peak 849 weight 1.00000E+00 volume 1.06079E+05 ppm1 0.947 ppm2 1.823
ASSI { 33} (resid 87 and name HB1) (resid 86 and name HA2) 2.827 0.688 1.283 peak 33 weight 1.00000E+00 volume 2.85998E+05 ppm1 4.328 ppm2 1.695
!resid 87 and name HG2
ASSI { 34} (resid 89 and name HG11) (resid 86 and name HA2) 3.028 0.748 1.303 peak 34 weight 1.00000E+00 volume 1.89665E+05 ppm1 4.329 ppm2 0.833
ASSI { 38} (resid 87 and name HB1) (resid 86 and name HA1) 2.843 0.693 1.284 peak 38 weight 1.00000E+00 volume 2.76806E+05 ppm1 3.639 ppm2 1.698
!resid 87 and name HG2
ASSI { 39} (resid 89 and name HG11) (resid 86 and name HA1) 3.137 0.781 1.314 peak 39 weight 1.00000E+00 volume 1.53185E+05 ppm1 3.639 ppm2 0.845
ASSI { 13} (resid 87 and name HB1) (resid 87 and name HA) 2.532 0.6 1.253 peak 13 weight 1.00000E+00 volume 5.54164E+05 ppm1 4.687 ppm2 1.712
ASSI { 14} (resid 87 and name HB2) (resid 87 and name HA) 2.454 0.574 1.245 peak 14 weight 1.00000E+00 volume 6.69048E+05 ppm1 4.687 ppm2 1.832
ASSI { 36} (resid 87 and name HG2) (resid 87 and name HA) 3.581 0.914 1.358 peak 36 weight 1.00000E+00 volume 6.93063E+04 ppm1 4.689 ppm2 0.835
ASSI { 396} (resid 87 and name HB1) (resid 87 and name HA) 2.875 0.703 1.288 peak 396 weight 1.00000E+00 volume 2.78821E+04 ppm1 1.727 ppm2 4.699
ASSI { 397} (resid 87 and name HB2) (resid 87 and name HA) 2.914 0.714 1.291 peak 397 weight 1.00000E+00 volume 2.92173E+04 ppm1 1.846 ppm2 4.709
ASSI { 398} (resid 87 and name HB2) (resid 87 and name HG2) 3.024 0.747 2.302 peak 398 weight 1.00000E+00 volume 1.51559E+04 ppm1 1.843 ppm2 0.843
ASSI { 404} (resid 87 and name HD2) (resid 87 and name HD1) 2.342 0.462 2.234 peak 404 weight 1.00000E+00 volume 8.85978E+05 ppm1 3.278 ppm2 3.445
ASSI { 405} (resid 87 and name HD2) (resid 87 and name HD1) 2.381 0.501 2.238 peak 405 weight 1.00000E+00 volume 3.94996E+04 ppm1 3.436 ppm2 3.289
ASSI { 408} (resid 87 and name HB2) (resid 87 and name HD2) 3.285 0.826 2.329 peak 408 weight 1.00000E+00 volume 1.16279E+05 ppm1 3.433 ppm2 1.853
ASSI { 409} (resid 87 and name HB2) (resid 87 and name HD1) 3.710 0.953 2.371 peak 409 weight 1.00000E+00 volume 5.60790E+04 ppm1 3.276 ppm2 1.853
ASSI { 410} (resid 87 and name HB1) (resid 87 and name HD1) 3.101 0.77 2.31 peak 410 weight 1.00000E+00 volume 2.43806E+03 ppm1 3.280 ppm2 1.640
ASSI { 411} (resid 87 and name HG2) (resid 87 and name HD1) 3.006 0.742 2.301 peak 411 weight 1.00000E+00 volume 6.03289E+03 ppm1 3.279 ppm2 0.848
ASSI { 412} (resid 87 and name HG2) (resid 87 and name HD2) 3.223 0.807 2.322 peak 412 weight 1.00000E+00 volume 3.95239E+03 ppm1 3.433 ppm2 0.856
ASSI { 413} (resid 87 and name HB1) (resid 87 and name HD2) 2.985 0.735 2.298 peak 413 weight 1.00000E+00 volume 2.06765E+05 ppm1 3.433 ppm2 1.636
ASSI { 1635} (resid 87 and name HB1) (resid 87 and name HG2) 1.987 0.107 2.199 peak 1635 weight 1.00000E+00 volume 2.37407E+06 ppm1 0.847 ppm2 1.706
ASSI { 857} (resid 88 and name HB2) (resid 58 and name HG1#) 3.138 0.781 2.314 peak 857 weight 1.00000E+00 volume 2.51577E+04 ppm1 0.973 ppm2 3.104
ASSI { 367} (resid 88 and name HA) (resid 88 and name HD#) 2.757 0.667 2.676 peak 367 weight 1.00000E+00 volume 3.32410E+05 ppm1 4.695 ppm2 7.134
ASSI { 368} (resid 88 and name HA) (resid 88 and name HB1) 2.684 0.645 1.268 peak 368 weight 1.00000E+00 volume 3.91124E+05 ppm1 4.700 ppm2 3.370
ASSI { 369} (resid 88 and name HA) (resid 88 and name HB2) 2.937 0.721 1.294 peak 369 weight 1.00000E+00 volume 2.27693E+05 ppm1 4.693 ppm2 3.172
ASSI { 386} (resid 88 and name HA) (resid 88 and name HB1) 2.839 0.692 1.284 peak 386 weight 1.00000E+00 volume 2.79183E+05 ppm1 3.366 ppm2 4.694
ASSI { 391} (resid 88 and name HA) (resid 88 and name HB2) 3.383 0.855 1.338 peak 391 weight 1.00000E+00 volume 9.75090E+04 ppm1 3.168 ppm2 4.690
ASSI { 392} (resid 88 and name HB2) (resid 88 and name HB1) 2.244 0.264 2.224 peak 392 weight 1.00000E+00 volume 1.14426E+06 ppm1 3.365 ppm2 3.167
ASSI { 393} (resid 88 and name HB2) (resid 88 and name HB1) 2.410 0.43 2.241 peak 393 weight 1.00000E+00 volume 7.45178E+05 ppm1 3.165 ppm2 3.370
ASSI { 394} (resid 88 and name HB1) (resid 88 and name HD#) 2.986 0.736 3.699 peak 394 weight 1.00000E+00 volume 2.06117E+05 ppm1 3.365 ppm2 7.140
ASSI { 395} (resid 88 and name HB2) (resid 88 and name HD#) 2.979 0.734 3.698 peak 395 weight 1.00000E+00 volume 1.18327E+04 ppm1 3.163 ppm2 7.140
ASSI { 340} (resid 89 and name HA) (resid 58 and name HG1#) 3.466 0.88 1.347 peak 340 weight 1.00000E+00 volume 3.51657E+03 ppm1 5.100 ppm2 1.029
ASSI { 345} (resid 89 and name HA) (resid 58 and name HA) 2.883 0.705 0.288 peak 345 weight 1.00000E+00 volume 1.16627E+04 ppm1 5.102 ppm2 4.766
ASSI { 854} (resid 89 and name HA) (resid 58 and name HG2#) 2.798 0.679 1.28 peak 854 weight 1.00000E+00 volume 3.94248E+04 ppm1 0.946 ppm2 5.039
ASSI { 1730} (resid 89 and name HA) (resid 58 and name HA) 2.634 0.63 0.263 peak 1730 weight 1.00000E+00 volume 4.37636E+05 ppm1 4.743 ppm2 5.056
ASSI { 362} (resid 89 and name HD1#) (resid 87 and name HD2) 2.584 0.615 2.758 peak 362 weight 1.00000E+00 volume 6.41736E+04 ppm1 0.721 ppm2 3.465
ASSI { 339} (resid 89 and name HA) (resid 89 and name HG12) 2.450 0.57 1.245 peak 339 weight 1.00000E+00 volume 3.02820E+04 ppm1 5.100 ppm2 0.828
ASSI { 341} (resid 89 and name HA) (resid 89 and name HB) 2.819 0.686 0.282 peak 341 weight 1.00000E+00 volume 1.04438E+04 ppm1 5.100 ppm2 1.703
ASSI { 342} (resid 89 and name HB) (resid 89 and name HG12) 2.344 0.464 1.234 peak 342 weight 1.00000E+00 volume 8.81543E+05 ppm1 1.736 ppm2 0.832
ASSI { 343} (resid 89 and name HB) (resid 89 and name HD1#) 2.607 0.622 1.761 peak 343 weight 1.00000E+00 volume 4.65794E+05 ppm1 1.735 ppm2 0.725
ASSI { 347} (resid 89 and name HA) (resid 89 and name HB) 3.075 0.763 0.308 peak 347 weight 1.00000E+00 volume 1.64899E+04 ppm1 1.737 ppm2 5.103
ASSI { 348} (resid 89 and name HA) (resid 89 and name HD1#) 3.299 0.83 1.83 peak 348 weight 1.00000E+00 volume 4.25979E+03 ppm1 5.098 ppm2 0.737
ASSI { 349} (resid 89 and name HB) (resid 89 and name HG11) 3.837 0.991 1.384 peak 349 weight 1.00000E+00 volume 4.72599E+04 ppm1 1.544 ppm2 1.754
ASSI { 351} (resid 89 and name HG11) (resid 89 and name HD1#) 2.347 0.467 2.735 peak 351 weight 1.00000E+00 volume 8.73239E+05 ppm1 1.541 ppm2 0.736
ASSI { 352} (resid 89 and name HG12) (resid 89 and name HG11) 2.044 0.164 2.204 peak 352 weight 1.00000E+00 volume 2.00204E+06 ppm1 1.545 ppm2 0.839
ASSI { 354} (resid 89 and name HA) (resid 89 and name HG2#) 2.410 0.53 1.741 peak 354 weight 1.00000E+00 volume 7.45876E+05 ppm1 0.833 ppm2 5.107
ASSI { 357} (resid 89 and name HB) (resid 89 and name HG2#) 2.037 0.157 1.704 peak 357 weight 1.00000E+00 volume 2.25433E+05 ppm1 0.830 ppm2 1.712
ASSI { 358} (resid 89 and name HG11) (resid 89 and name HD1#) 1.974 0.094 2.697 peak 358 weight 1.00000E+00 volume 2.83320E+05 ppm1 0.719 ppm2 1.537
ASSI { 359} (resid 89 and name HB) (resid 89 and name HD1#) 2.503 0.591 1.75 peak 359 weight 1.00000E+00 volume 8.09718E+04 ppm1 0.720 ppm2 1.723
ASSI { 365} (resid 89 and name HA) (resid 89 and name HD1#) 2.875 0.703 1.788 peak 365 weight 1.00000E+00 volume 2.58626E+05 ppm1 0.716 ppm2 5.051
ASSI { 1615} (resid 89 and name HG12) (resid 89 and name HG11) 2.112 0.232 2.211 peak 1615 weight 1.00000E+00 volume 1.54732E+05 ppm1 0.866 ppm2 1.547
ASSI { 1616} (resid 89 and name HG12) (resid 89 and name HD1#) 2.265 0.385 2.726 peak 1616 weight 1.00000E+00 volume 9.96221E+04 ppm1 0.863 ppm2 0.728
ASSI { 1617} (resid 89 and name HA) (resid 89 and name HG12) 3.033 0.75 1.303 peak 1617 weight 1.00000E+00 volume 1.79516E+04 ppm1 0.864 ppm2 5.069
ASSI { 1618} (resid 89 and name HA) (resid 89 and name HG11) 2.992 0.738 1.299 peak 1618 weight 1.00000E+00 volume 1.71546E+04 ppm1 1.538 ppm2 5.044
!ASSI { 353} (resid 89 and name HG11) (resid 90 and name HG2) 3.148 0.945 2.315 peak 353 weight 1.00000E+00 volume 1.50017E+05 ppm1 1.538 ppm2 2.189
ASSI { 356} (resid 89 and name HG2#) (resid 90 and name HA) 2.646 0.634 1.765 peak 356 weight 1.00000E+00 volume 4.26061E+05 ppm1 0.829 ppm2 4.802
ASSI { 324} (resid 90 and name HB1) (resid 57 and name HB1) 2.920 0.716 1.292 peak 324 weight 1.00000E+00 volume 1.48702E+04 ppm1 1.917 ppm2 3.212
ASSI { 325} (resid 90 and name HB2) (resid 57 and name HB1) 2.896 0.709 2.29 peak 325 weight 1.00000E+00 volume 1.68367E+04 ppm1 2.025 ppm2 3.212
ASSI { 1540} (resid 90 and name HB2) (resid 57 and name HB1) 2.907 0.712 2.291 peak 1540 weight 1.00000E+00 volume 2.42373E+05 ppm1 3.202 ppm2 2.047
ASSI { 1541} (resid 90 and name HB1) (resid 57 and name HB1) 2.798 0.679 1.28 peak 1541 weight 1.00000E+00 volume 3.04582E+05 ppm1 3.202 ppm2 1.938
ASSI { 326} (resid 90 and name HB2) (resid 90 and name HA) 2.783 0.675 1.278 peak 326 weight 1.00000E+00 volume 1.90480E+04 ppm1 2.025 ppm2 4.804
ASSI { 327} (resid 90 and name HB1) (resid 90 and name HA) 2.913 0.714 1.291 peak 327 weight 1.00000E+00 volume 1.78134E+04 ppm1 1.929 ppm2 4.804
ASSI { 328} (resid 90 and name HB2) (resid 90 and name HB1) 1.972 0.092 2.197 peak 328 weight 1.00000E+00 volume 2.48299E+06 ppm1 2.024 ppm2 1.910
ASSI { 329} (resid 90 and name HB2) (resid 90 and name HB1) 1.866 0.00 2.187 peak 329 weight 1.00000E+00 volume 1.75581E+05 ppm1 1.919 ppm2 2.051
ASSI { 330} (resid 90 and name HB2) (resid 90 and name HA) 2.535 0.6 1.253 peak 330 weight 1.00000E+00 volume 5.51177E+05 ppm1 4.797 ppm2 2.048
ASSI { 331} (resid 90 and name HB1) (resid 90 and name HA) 2.610 0.623 1.261 peak 331 weight 1.00000E+00 volume 4.62566E+05 ppm1 4.796 ppm2 1.929
ASSI { 332} (resid 90 and name HA) (resid 90 and name HG2) 3.069 0.761 1.307 peak 332 weight 1.00000E+00 volume 1.74999E+05 ppm1 4.797 ppm2 2.237
ASSI { 333} (resid 90 and name HB2) (resid 90 and name HG2) 2.114 0.234 2.211 peak 333 weight 1.00000E+00 volume 2.82247E+04 ppm1 2.026 ppm2 2.207
ASSI { 334} (resid 90 and name HB1) (resid 90 and name HG2) 2.272 0.392 2.227 peak 334 weight 1.00000E+00 volume 3.14072E+04 ppm1 1.911 ppm2 2.200
ASSI { 335} (resid 90 and name HB1) (resid 90 and name HG2) 2.603 0.621 2.26 peak 335 weight 1.00000E+00 volume 6.17763E+04 ppm1 2.234 ppm2 1.947
ASSI { 336} (resid 90 and name HB1) (resid 90 and name HG1) 2.280 0.4 2.228 peak 336 weight 1.00000E+00 volume 1.16186E+05 ppm1 2.110 ppm2 1.942
ASSI { 337} (resid 90 and name HA) (resid 90 and name HG1) 3.216 0.805 1.322 peak 337 weight 1.00000E+00 volume 2.21758E+04 ppm1 2.112 ppm2 4.823
ASSI { 338} (resid 90 and name HA) (resid 90 and name HG2) 3.243 0.813 1.324 peak 338 weight 1.00000E+00 volume 1.67011E+04 ppm1 2.234 ppm2 4.812
ASSI { 300} (resid 91 and name HA) (resid 56 and name HA) 2.380 0.5 0.238 peak 300 weight 1.00000E+00 volume 7.49986E+04 ppm1 5.591 ppm2 4.880
ASSI { 864} (resid 91 and name HA) (resid 56 and name HA) 2.780 0.674 0.278 peak 864 weight 1.00000E+00 volume 1.95215E+04 ppm1 4.875 ppm2 5.604
ASSI { 885} (resid 91 and name HG12) (resid 56 and name HG2#) 2.495 0.588 2.749 peak 885 weight 1.00000E+00 volume 6.06038E+05 ppm1 0.831 ppm2 1.692
ASSI { 301} (resid 91 and name HA) (resid 57 and name HD#) 3.037 0.751 2.704 peak 301 weight 1.00000E+00 volume 1.86102E+05 ppm1 5.592 ppm2 7.107
ASSI { 322} (resid 91 and name HG2#) (resid 66 and name HE#) 2.633 0.63 4.163 peak 322 weight 1.00000E+00 volume 5.46574E+04 ppm1 1.125 ppm2 6.709
!this is the only assignment option
ASSI { 323} (resid 91 and name HG2#) (resid 66 and name HZ) 2.660 0.638 1.766 peak 323 weight 1.00000E+00 volume 4.90564E+04 ppm1 1.124 ppm2 6.438
ASSI { 1608} (resid 91 and name HD1#) (resid 66 and name HZ) 3.370 0.851 1.837 peak 1608 weight 1.00000E+00 volume 9.97127E+04 ppm1 0.881 ppm2 6.462
ASSI { 1609} (resid 91 and name HD1#) (resid 66 and name HE#) 3.258 0.818 4.226 peak 1609 weight 1.00000E+00 volume 1.22090E+05 ppm1 0.881 ppm2 6.703
!ASSI { 360} (resid 91 and name HG2#) (resid 89 and name HD1#) 2.570 0.771 3.257 peak 360 weight 1.00000E+00 volume 8.84333E+04 ppm1 0.718 ppm2 1.124
ASSI { 296} (resid 91 and name HA) (resid 91 and name HD1#) 2.724 0.657 1.772 peak 296 weight 1.00000E+00 volume 2.23377E+04 ppm1 5.595 ppm2 0.859
ASSI { 297} (resid 91 and name HA) (resid 91 and name HG11) 2.115 0.235 1.212 peak 297 weight 1.00000E+00 volume 1.63214E+06 ppm1 5.589 ppm2 1.156
ASSI { 298} (resid 91 and name HA) (resid 91 and name HG12) 2.565 0.609 1.256 peak 298 weight 1.00000E+00 volume 4.50513E+04 ppm1 5.591 ppm2 1.662
ASSI { 299} (resid 91 and name HA) (resid 91 and name HB) 2.628 0.629 0.263 peak 299 weight 1.00000E+00 volume 2.98572E+04 ppm1 5.593 ppm2 2.011
ASSI { 302} (resid 91 and name HB) (resid 91 and name HD1#) 2.311 0.431 1.731 peak 302 weight 1.00000E+00 volume 9.58556E+05 ppm1 2.005 ppm2 0.905
ASSI { 303} (resid 91 and name HG11) (resid 91 and name HB) 2.082 0.202 1.208 peak 303 weight 1.00000E+00 volume 1.79222E+06 ppm1 2.005 ppm2 1.165
ASSI { 304} (resid 91 and name HG12) (resid 91 and name HB) 2.631 0.629 1.263 peak 304 weight 1.00000E+00 volume 4.40353E+05 ppm1 2.005 ppm2 1.678
ASSI { 305} (resid 91 and name HA) (resid 91 and name HB) 2.981 0.734 0.298 peak 305 weight 1.00000E+00 volume 1.28220E+04 ppm1 2.006 ppm2 5.600
ASSI { 310} (resid 91 and name HA) (resid 91 and name HG12) 2.887 0.706 1.289 peak 310 weight 1.00000E+00 volume 2.52268E+05 ppm1 1.639 ppm2 5.600
ASSI { 313} (resid 91 and name HD1#) (resid 91 and name HG2#) 1.895 0.015 3.19 peak 313 weight 1.00000E+00 volume 3.15355E+06 ppm1 1.128 ppm2 0.888
ASSI { 314} (resid 91 and name HG12) (resid 91 and name HG2#) 2.514 0.594 2.751 peak 314 weight 1.00000E+00 volume 5.78724E+05 ppm1 1.126 ppm2 1.662
ASSI { 315} (resid 91 and name HB) (resid 91 and name HG2#) 1.868 0.00 1.687 peak 315 weight 1.00000E+00 volume 4.60541E+05 ppm1 1.124 ppm2 2.008
ASSI { 319} (resid 91 and name HA) (resid 91 and name HG2#) 2.133 0.253 1.713 peak 319 weight 1.00000E+00 volume 1.69196E+05 ppm1 1.129 ppm2 5.597
ASSI { 1600} (resid 91 and name HA) (resid 91 and name HG11) 2.653 0.636 1.265 peak 1600 weight 1.00000E+00 volume 4.05074E+04 ppm1 1.215 ppm2 5.605
ASSI { 1602} (resid 91 and name HB) (resid 91 and name HD1#) 2.202 0.322 1.72 peak 1602 weight 1.00000E+00 volume 1.28305E+06 ppm1 0.882 ppm2 2.017
ASSI { 1603} (resid 91 and name HG12) (resid 91 and name HD1#) 2.226 0.346 2.723 peak 1603 weight 1.00000E+00 volume 9.92113E+04 ppm1 0.884 ppm2 1.653
ASSI { 1604} (resid 91 and name HG11) (resid 91 and name HD1#) 2.110 0.23 2.711 peak 1604 weight 1.00000E+00 volume 1.65385E+06 ppm1 0.882 ppm2 1.190
ASSI { 1606} (resid 91 and name HA) (resid 91 and name HD1#) 2.934 0.72 1.793 peak 1606 weight 1.00000E+00 volume 2.29091E+05 ppm1 0.880 ppm2 5.586
ASSI { 265} (resid 92 and name HA) (resid 54 and name HZ2) 2.585 0.616 0.259 peak 265 weight 1.00000E+00 volume 6.21097E+04 ppm1 5.025 ppm2 7.164
ASSI { 266} (resid 92 and name HA) (resid 54 and name HH2) 2.358 0.478 0.236 peak 266 weight 1.00000E+00 volume 8.50325E+05 ppm1 5.025 ppm2 6.987
ASSI { 318} (resid 92 and name HA) (resid 91 and name HG2#) 3.051 0.755 1.805 peak 318 weight 1.00000E+00 volume 2.27844E+04 ppm1 1.127 ppm2 5.046
ASSI { 259} (resid 92 and name HB1) (resid 92 and name HA) 2.119 0.239 1.212 peak 259 weight 1.00000E+00 volume 1.96108E+05 ppm1 5.025 ppm2 1.877
ASSI { 260} (resid 92 and name HB2) (resid 92 and name HA) 2.203 0.323 1.22 peak 260 weight 1.00000E+00 volume 1.55587E+05 ppm1 5.025 ppm2 1.723
ASSI { 262} (resid 92 and name HA) (resid 92 and name HD1) 2.467 0.58 1.247 peak 262 weight 1.00000E+00 volume 5.91513E+04 ppm1 5.024 ppm2 1.274
ASSI { 267} (resid 92 and name HB1) (resid 92 and name HD1) 2.311 0.431 2.231 peak 267 weight 1.00000E+00 volume 9.59452E+05 ppm1 1.863 ppm2 1.295
ASSI { 268} (resid 92 and name HB2) (resid 92 and name HD1) 2.277 0.397 2.228 peak 268 weight 1.00000E+00 volume 7.73744E+04 ppm1 1.800 ppm2 1.304
ASSI { 269} (resid 92 and name HB2) (resid 92 and name HB1) 1.849 0.00 2.185 peak 269 weight 1.00000E+00 volume 4.24180E+05 ppm1 1.863 ppm2 1.724
ASSI { 270} (resid 92 and name HB2) (resid 92 and name HB1) 1.800 0.00 2.172 peak 270 weight 1.00000E+00 volume 1.96431E+05 ppm1 1.721 ppm2 1.857
ASSI { 271} (resid 92 and name HB1) (resid 92 and name HA) 2.409 0.529 1.241 peak 271 weight 1.00000E+00 volume 8.11656E+04 ppm1 1.865 ppm2 5.048
ASSI { 273} (resid 92 and name HB2) (resid 92 and name HA) 2.436 0.556 1.244 peak 273 weight 1.00000E+00 volume 7.45681E+04 ppm1 1.721 ppm2 5.038
ASSI { 274} (resid 92 and name HG2) (resid 92 and name HB2) 2.695 0.649 2.27 peak 274 weight 1.00000E+00 volume 3.63374E+04 ppm1 1.265 ppm2 1.722
ASSI { 275} (resid 92 and name HG2) (resid 92 and name HB1) 2.834 0.69 2.283 peak 275 weight 1.00000E+00 volume 2.81984E+05 ppm1 1.261 ppm2 1.887
ASSI { 276} (resid 92 and name HG1) (resid 92 and name HB2) 2.721 0.656 2.272 peak 276 weight 1.00000E+00 volume 3.60197E+05 ppm1 1.168 ppm2 1.714
ASSI { 277} (resid 92 and name HG1) (resid 92 and name HB1) 2.877 0.703 2.288 peak 277 weight 1.00000E+00 volume 2.57807E+05 ppm1 1.166 ppm2 1.875
ASSI { 278} (resid 92 and name HG2) (resid 92 and name HE2) 2.731 0.659 2.273 peak 278 weight 1.00000E+00 volume 3.52263E+05 ppm1 1.266 ppm2 2.120
ASSI { 279} (resid 92 and name HG1) (resid 92 and name HE2) 2.846 0.694 2.285 peak 279 weight 1.00000E+00 volume 2.74868E+05 ppm1 1.172 ppm2 2.124
ASSI { 280} (resid 92 and name HD2) (resid 92 and name HE1) 2.592 0.618 2.259 peak 280 weight 1.00000E+00 volume 4.82073E+05 ppm1 1.269 ppm2 2.301
ASSI { 281} (resid 92 and name HD1) (resid 92 and name HE1) 2.855 0.696 2.285 peak 281 weight 1.00000E+00 volume 3.34937E+04 ppm1 1.325 ppm2 2.306
ASSI { 282} (resid 92 and name HD1) (resid 92 and name HE2) 2.690 0.647 2.269 peak 282 weight 1.00000E+00 volume 3.88718E+04 ppm1 1.322 ppm2 2.119
ASSI { 283} (resid 92 and name HD2) (resid 92 and name HE2) 2.593 0.618 2.259 peak 283 weight 1.00000E+00 volume 4.32716E+04 ppm1 1.272 ppm2 2.114
ASSI { 284} (resid 92 and name HB1) (resid 92 and name HD2) 2.638 0.631 2.264 peak 284 weight 1.00000E+00 volume 4.94405E+04 ppm1 1.267 ppm2 1.878
ASSI { 285} (resid 92 and name HB1) (resid 92 and name HD1) 2.675 0.642 2.267 peak 285 weight 1.00000E+00 volume 4.37103E+04 ppm1 1.319 ppm2 1.878
ASSI { 286} (resid 92 and name HB2) (resid 92 and name HD1) 2.741 0.662 2.274 peak 286 weight 1.00000E+00 volume 3.76616E+04 ppm1 1.319 ppm2 1.722
ASSI { 287} (resid 92 and name HB2) (resid 92 and name HD2) 2.770 0.671 2.277 peak 287 weight 1.00000E+00 volume 3.47567E+04 ppm1 1.267 ppm2 1.722
ASSI { 290} (resid 92 and name HD1) (resid 92 and name HE2) 2.338 0.458 2.234 peak 290 weight 1.00000E+00 volume 9.91070E+04 ppm1 2.114 ppm2 1.294
ASSI { 291} (resid 92 and name HD1) (resid 92 and name HE1) 2.294 0.414 2.229 peak 291 weight 1.00000E+00 volume 1.09648E+05 ppm1 2.290 ppm2 1.310
ASSI { 292} (resid 92 and name HE2) (resid 93 and name HE21) 3.215 0.805 1.322 peak 292 weight 1.00000E+00 volume 1.32257E+05 ppm1 2.107 ppm2 7.258
OR    {  292}   (resid  57  and  name  HZ)    (resid  92  and  name  HE2)
ASSI { 294} (resid 92 and name HE1) (resid 93 and name HE21) 3.174 0.792 1.317 peak 294 weight 1.00000E+00 volume 1.15113E+04 ppm1 2.284 ppm2 7.266
OR    {  294}   (resid  57  and  name  HZ)    (resid  92  and  name  HE1)
ASSI { 248} (resid 93 and name HA) (resid 54 and name HA) 2.110 0.23 0.211 peak 248 weight 1.00000E+00 volume 1.65470E+06 ppm1 3.696 ppm2 4.674
ASSI { 912} (resid 93 and name HA) (resid 54 and name HA) 2.101 0.221 0.210 peak 912 weight 1.00000E+00 volume 1.04050E+05 ppm1 4.671 ppm2 3.711
!added OR statement
ASSI { 50} (resid 93 and name HB2) (resid 55 and name HA2) 3.066 0.76 1.307 peak 50 weight 1.00000E+00 volume 1.76061E+05 ppm1 3.241 ppm2 1.488
OR  { 50} (resid 55 and name HA2) (resid 62 and name HD1)
ASSI { 246} (resid 93 and name HA) (resid 93 and name HB1) 2.460 0.578 1.246 peak 246 weight 1.00000E+00 volume 6.59991E+05 ppm1 0.991 ppm2 3.709
ASSI { 247} (resid 93 and name HA) (resid 93 and name HB2) 2.395 0.515 1.239 peak 247 weight 1.00000E+00 volume 7.74849E+05 ppm1 1.521 ppm2 3.699
ASSI { 249} (resid 93 and name HB2) (resid 93 and name HB1) 1.800 0.00 2.172 peak 249 weight 1.00000E+00 volume 5.34726E+05 ppm1 1.518 ppm2 1.014
ASSI { 250} (resid 93 and name HB2) (resid 93 and name HB1) 1.800 0.00 2.18 peak 250 weight 1.00000E+00 volume 3.95624E+05 ppm1 0.988 ppm2 1.549
ASSI { 251} (resid 93 and name HA) (resid 93 and name HG2) 2.181 0.301 1.218 peak 251 weight 1.00000E+00 volume 1.35924E+06 ppm1 3.696 ppm2 1.015
ASSI { 252} (resid 93 and name HA) (resid 93 and name HB2) 2.339 0.459 1.234 peak 252 weight 1.00000E+00 volume 8.91342E+05 ppm1 3.693 ppm2 1.535
ASSI { 253} (resid 93 and name HA) (resid 93 and name HG1) 2.675 0.643 1.268 peak 253 weight 1.00000E+00 volume 3.98547E+05 ppm1 1.026 ppm2 3.722
ASSI { 254} (resid 93 and name HA) (resid 93 and name HG2) 2.809 0.683 1.281 peak 254 weight 1.00000E+00 volume 2.78365E+04 ppm1 1.065 ppm2 3.704
ASSI { 255} (resid 93 and name HG2) (resid 93 and name HB2) 2.493 0.588 2.249 peak 255 weight 1.00000E+00 volume 6.09411E+04 ppm1 1.067 ppm2 1.542
ASSI { 256} (resid 93 and name HG1) (resid 93 and name HB2) 2.536 0.601 2.254 peak 256 weight 1.00000E+00 volume 3.69495E+04 ppm1 1.030 ppm2 1.554
ASSI { 229} (resid 94 and name HG2#) (resid 18 and name HB2) 4.864 1.299 2.986 peak 229 weight 1.00000E+00 volume 1.10352E+04 ppm1 0.946 ppm2 2.882
OR    {  229}   (resid  94  and  name  HG2#)  (resid  62  and  name  HE2)
!resid 18 and name HB1
ASSI { 238} (resid 94 and name HD1#) (resid 62 and name HE1) 3.054 0.756 2.805 peak 238 weight 1.00000E+00 volume 1.79973E+05 ppm1 0.718 ppm2 2.780
ASSI { 222} (resid 94 and name HG2#) (resid 21 and name HN) 1.940 0.06 1.694 peak 222 weight 1.00000E+00 volume 2.93627E+05 ppm1 0.945 ppm2 7.314
OR    {  222}   (resid  94  and  name  HG2#)  (resid  57  and  name  HZ)
ASSI { 148} (resid 94 and name HD1#) (resid 53 and name HB2) 2.547 0.604 2.755 peak 148 weight 1.00000E+00 volume 5.34846E+05 ppm1 2.549 ppm2 0.709
ASSI { 150} (resid 94 and name HG12) (resid 53 and name HB2) 2.473 0.582 2.247 peak 150 weight 1.00000E+00 volume 7.23165E+04 ppm1 2.554 ppm2 1.177
ASSI { 153} (resid 94 and name HG12) (resid 53 and name HA) 3.322 0.837 1.332 peak 153 weight 1.00000E+00 volume 1.02865E+04 ppm1 5.630 ppm2 1.166
!resid 94 and name HD1#
ASSI { 155} (resid 94 and name HG11) (resid 53 and name HA) 3.368 0.85 1.837 peak 155 weight 1.00000E+00 volume 1.00160E+05 ppm1 5.627 ppm2 0.696
ASSI { 217} (resid 94 and name HG12) (resid 53 and name HB2) 2.549 0.605 2.255 peak 217 weight 1.00000E+00 volume 5.32229E+05 ppm1 1.154 ppm2 2.587
ASSI { 230} (resid 94 and name HG2#) (resid 53 and name HB2) 4.636 1.231 2.964 peak 230 weight 1.00000E+00 volume -1.47100E+04 ppm1 0.943 ppm2 2.534
ASSI { 237} (resid 94 and name HD1#) (resid 53 and name HB2) 2.603 0.621 2.76 peak 237 weight 1.00000E+00 volume 4.70219E+05 ppm1 0.717 ppm2 2.566
ASSI { 1597} (resid 94 and name HG11) (resid 53 and name HB2) 2.955 0.726 2.295 peak 1597 weight 1.00000E+00 volume 2.20572E+04 ppm1 0.656 ppm2 2.585
ASSI { 220} (resid 94 and name HG12) (resid 54 and name HA) 3.150 0.785 1.315 peak 220 weight 1.00000E+00 volume 1.49473E+05 ppm1 1.153 ppm2 4.681
ASSI { 224} (resid 94 and name HG2#) (resid 54 and name HA) 2.829 0.689 1.783 peak 224 weight 1.00000E+00 volume 2.84763E+05 ppm1 0.945 ppm2 4.675
ASSI { 228} (resid 94 and name HG2#) (resid 54 and name HB2) 3.091 0.767 2.809 peak 228 weight 1.00000E+00 volume 1.67445E+05 ppm1 0.947 ppm2 2.303
OR    {  228}   (resid  94  and  name  HG2#)  (resid  16  and  name  HB)
OR    {  228}   (resid  94  and  name  HG2#)  (resid  92  and  name  HE1)
ASSI { 243} (resid 94 and name HD1#) (resid 54 and name HA) 2.834 0.69 1.783 peak 243 weight 1.00000E+00 volume 2.45835E+04 ppm1 0.716 ppm2 4.687
ASSI { 915} (resid 94 and name HG12) (resid 54 and name HA) 2.818 0.686 1.282 peak 915 weight 1.00000E+00 volume 8.90191E+03 ppm1 4.662 ppm2 1.141
ASSI { 917} (resid 94 and name HG11) (resid 54 and name HA) 2.864 0.699 1.286 peak 917 weight 1.00000E+00 volume 8.81665E+03 ppm1 4.670 ppm2 0.659
ASSI { 1599} (resid 94 and name HG11) (resid 54 and name HA) 3.110 0.773 1.311 peak 1599 weight 1.00000E+00 volume 1.28850E+04 ppm1 0.658 ppm2 4.686
ASSI { 49} (resid 94 and name HD1#) (resid 55 and name HA2) 2.644 0.633 1.764 peak 49 weight 1.00000E+00 volume 4.27734E+05 ppm1 3.241 ppm2 0.718
ASSI { 52} (resid 94 and name HD1#) (resid 55 and name HA1) 2.905 0.711 1.79 peak 52 weight 1.00000E+00 volume 2.43380E+05 ppm1 5.149 ppm2 0.732
ASSI { 223} (resid 94 and name HG2#) (resid 55 and name HA1) 2.786 0.676 1.779 peak 223 weight 1.00000E+00 volume 3.12599E+05 ppm1 0.945 ppm2 5.176
ASSI { 227} (resid 94 and name HG2#) (resid 55 and name HA2) 2.523 0.597 1.752 peak 227 weight 1.00000E+00 volume 5.66247E+05 ppm1 0.947 ppm2 3.243
ASSI { 240} (resid 94 and name HD1#) (resid 55 and name HA2) 2.407 0.527 1.741 peak 240 weight 1.00000E+00 volume 7.50638E+05 ppm1 0.719 ppm2 3.245
ASSI { 244} (resid 94 and name HD1#) (resid 55 and name HA1) 2.485 0.586 1.749 peak 244 weight 1.00000E+00 volume 6.14883E+04 ppm1 0.719 ppm2 5.172
ASSI { 245} (resid 94 and name HD1#) (resid 57 and name HZ) 2.412 0.532 1.741 peak 245 weight 1.00000E+00 volume 7.42567E+05 ppm1 0.717 ppm2 7.301
OR    {  245}   (resid  94  and  name  HD1#)  (resid  21  and  name  HN)
ASSI { 239} (resid 94 and name HD1#) (resid 62 and name HE2) 2.924 0.717 2.792 peak 239 weight 1.00000E+00 volume 4.05024E+04 ppm1 0.718 ppm2 2.874
!OR    {  239}   (resid  94  and  name  HD1#)  (resid  18  and  name  HB2)
!resid 65 and name HB
ASSI { 241} (resid 94 and name HD1#) (resid 93 and name HA) 2.576 0.613 1.758 peak 241 weight 1.00000E+00 volume 5.00194E+05 ppm1 0.718 ppm2 3.758
!increased upper bound 1A. misassigned.
ASSI { 1594} (resid 94 and name HG11) (resid 94 and name HG12) 1.963 0.083 2.196 peak 1594 weight 1.00000E+00 volume 2.76863E+05 ppm1 0.658 ppm2 1.164
ASSI { 216} (resid 94 and name HG12) (resid 92 and name HE2) 2.713 0.654 2.271 peak 216 weight 1.00000E+00 volume 3.66231E+05 ppm1 1.157 ppm2 2.100
ASSI { 1596} (resid 94 and name HG11) (resid 92 and name HE2) 2.948 0.724 2.295 peak 1596 weight 1.00000E+00 volume 2.17246E+04 ppm1 0.662 ppm2 2.099
ASSI { 226} (resid 94 and name HG2#) (resid 93 and name HA) 2.969 0.731 1.797 peak 226 weight 1.00000E+00 volume 2.13313E+05 ppm1 0.947 ppm2 3.711
ASSI { 235} (resid 94 and name HD1#) (resid 93 and name HB2) 2.246 0.366 2.725 peak 235 weight 1.00000E+00 volume 1.62127E+05 ppm1 0.719 ppm2 1.485
ASSI { 206} (resid 94 and name HD1#) (resid 94 and name HA) 2.583 0.615 1.758 peak 206 weight 1.00000E+00 volume 4.92204E+05 ppm1 4.229 ppm2 0.705
ASSI { 207} (resid 94 and name HG2#) (resid 94 and name HA) 2.016 0.136 1.702 peak 207 weight 1.00000E+00 volume 2.17355E+06 ppm1 4.231 ppm2 0.969
ASSI { 208} (resid 94 and name HG12) (resid 94 and name HA) 2.683 0.645 1.268 peak 208 weight 1.00000E+00 volume 3.83719E+04 ppm1 4.231 ppm2 1.170
ASSI { 209} (resid 94 and name HA) (resid 94 and name HB) 2.053 0.173 0.205 peak 209 weight 1.00000E+00 volume 1.95189E+06 ppm1 4.233 ppm2 1.979
ASSI { 210} (resid 94 and name HD1#) (resid 94 and name HB) 2.270 0.39 1.727 peak 210 weight 1.00000E+00 volume 8.53572E+04 ppm1 1.973 ppm2 0.726
ASSI { 211} (resid 94 and name HG2#) (resid 94 and name HB) 2.136 0.256 1.714 peak 211 weight 1.00000E+00 volume 1.47543E+05 ppm1 1.971 ppm2 0.941
ASSI { 212} (resid 94 and name HG12) (resid 94 and name HB) 2.279 0.399 1.228 peak 212 weight 1.00000E+00 volume 6.37051E+04 ppm1 1.981 ppm2 1.162
ASSI { 213} (resid 94 and name HA) (resid 94 and name HB) 2.270 0.39 0.227 peak 213 weight 1.00000E+00 volume 1.06920E+06 ppm1 1.975 ppm2 4.247
ASSI { 214} (resid 94 and name HG12) (resid 94 and name HG11) 1.800 0.00 2.177 peak 214 weight 1.00000E+00 volume 4.70300E+06 ppm1 1.159 ppm2 0.691
ASSI { 215} (resid 94 and name HG12) (resid 94 and name HB) 2.376 0.496 1.238 peak 215 weight 1.00000E+00 volume 8.11935E+05 ppm1 1.159 ppm2 1.978
ASSI { 218} (resid 94 and name HG12) (resid 94 and name HA) 3.173 0.792 1.317 peak 218 weight 1.00000E+00 volume 1.43163E+05 ppm1 1.157 ppm2 4.235
ASSI { 221} (resid 94 and name HG2#) (resid 94 and name HG12) 2.619 0.626 2.762 peak 221 weight 1.00000E+00 volume 4.53082E+05 ppm1 1.159 ppm2 0.970
ASSI { 225} (resid 94 and name HG2#) (resid 94 and name HA) 2.014 0.134 1.701 peak 225 weight 1.00000E+00 volume 2.19265E+06 ppm1 0.947 ppm2 4.227
ASSI { 231} (resid 94 and name HG2#) (resid 94 and name HB) 1.857 0.00 1.686 peak 231 weight 1.00000E+00 volume 3.55817E+06 ppm1 0.947 ppm2 1.997
ASSI { 232} (resid 94 and name HG2#) (resid 94 and name HD1#) 2.379 0.499 3.238 peak 232 weight 1.00000E+00 volume 8.06437E+05 ppm1 0.947 ppm2 0.663
ASSI { 233} (resid 94 and name HG2#) (resid 94 and name HD1#) 1.846 0.00 3.185 peak 233 weight 1.00000E+00 volume 3.69227E+06 ppm1 0.720 ppm2 0.969
ASSI { 234} (resid 94 and name HG12) (resid 94 and name HD1#) 1.912 0.032 2.691 peak 234 weight 1.00000E+00 volume 2.99178E+06 ppm1 0.717 ppm2 1.181
ASSI { 236} (resid 94 and name HD1#) (resid 94 and name HB) 2.131 0.251 1.713 peak 236 weight 1.00000E+00 volume 1.42586E+05 ppm1 0.714 ppm2 1.981
ASSI { 242} (resid 94 and name HD1#) (resid 94 and name HA) 2.748 0.664 1.775 peak 242 weight 1.00000E+00 volume 3.39414E+05 ppm1 0.716 ppm2 4.238
ASSI { 1595} (resid 94 and name HG11) (resid 94 and name HB) 2.714 0.654 1.271 peak 1595 weight 1.00000E+00 volume 2.90187E+04 ppm1 0.660 ppm2 2.001
ASSI { 1598} (resid 94 and name HG11) (resid 94 and name HA) 3.208 0.802 1.321 peak 1598 weight 1.00000E+00 volume 1.19906E+04 ppm1 0.656 ppm2 4.231



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           HT1      ASP   1  17.261   5.576 -10.895
    2    HA   ASP   1           HA       ASP   1  15.356   6.214  -9.189
    3    HB2  ASP   1           HB2      ASP   1  15.109   3.761  -8.822
    4    HB3  ASP   1           HB1      ASP   1  15.432   4.173 -10.501
    5    H    ASN   2           HN       ASN   2  15.150   4.446  -7.082
    6    HA   ASN   2           HA       ASN   2  16.711   5.795  -5.050
    7    HB2  ASN   2           HB2      ASN   2  14.652   3.584  -4.839
    8    HB3  ASN   2           HB1      ASN   2  15.416   4.372  -3.462
    9   HD21  ASN   2          HD21      ASN   2  12.696   4.313  -5.225
   10   HD22  ASN   2          HD22      ASN   2  12.143   5.934  -4.982
   11    H    GLN   3           HN       GLN   3  18.818   5.170  -5.274
   12    HA   GLN   3           HA       GLN   3  19.725   2.598  -5.855
   13    HB2  GLN   3           HB2      GLN   3  21.129   4.799  -4.334
   14    HB3  GLN   3           HB1      GLN   3  21.913   3.362  -4.969
   15    HG2  GLN   3           HG2      GLN   3  21.319   4.029  -7.235
   16    HG3  GLN   3           HG1      GLN   3  20.517   5.466  -6.603
   17   HE21  GLN   3          HE21      GLN   3  23.295   4.344  -7.948
   18   HE22  GLN   3          HE22      GLN   3  24.386   5.577  -7.421
   19    H    LYS   4           HN       LYS   4  19.385   4.186  -2.687
   20    HA   LYS   4           HA       LYS   4  19.885   1.571  -1.437
   21    HB2  LYS   4           HB2      LYS   4  20.161   4.355  -0.293
   22    HB3  LYS   4           HB1      LYS   4  20.445   2.867   0.600
   23    HG2  LYS   4           HG2      LYS   4  21.984   3.788  -1.823
   24    HG3  LYS   4           HG1      LYS   4  22.532   3.877  -0.146
   25    HD2  LYS   4           HD2      LYS   4  22.409   1.434   0.017
   26    HD3  LYS   4           HD1      LYS   4  21.873   1.350  -1.663
   27    HE2  LYS   4           HE2      LYS   4  23.981   2.348  -2.391
   28    HE3  LYS   4           HE1      LYS   4  24.513   2.462  -0.713
   29    HZ1  LYS   4           HZ1      LYS   4  25.184   0.363  -0.747
   30    HZ2  LYS   4           HZ2      LYS   4  24.914   0.350  -2.427
   31    HZ3  LYS   4           HZ3      LYS   4  23.703  -0.190  -1.363
   32    H    ALA   5           HN       ALA   5  17.434   3.716  -2.156
   33    HA   ALA   5           HA       ALA   5  15.272   3.974  -1.513
   34    HB1  ALA   5           HB1      ALA   5  15.189   1.515  -1.754
   35    HB2  ALA   5           HB2      ALA   5  14.100   2.114  -0.501
   36    HB3  ALA   5           HB3      ALA   5  15.627   1.356  -0.054
   37    H    LEU   6           HN       LEU   6  17.280   5.232  -0.027
   38    HA   LEU   6           HA       LEU   6  16.937   4.963   2.771
   39    HB2  LEU   6           HB2      LEU   6  18.906   5.985   1.583
   40    HB3  LEU   6           HB1      LEU   6  17.908   7.372   1.211
   41    HG   LEU   6           HG       LEU   6  19.485   7.743   3.090
   42   HD11  LEU   6          HD11      LEU   6  17.921   8.777   4.632
   43   HD12  LEU   6          HD12      LEU   6  16.590   7.871   3.912
   44   HD13  LEU   6          HD13      LEU   6  17.448   9.083   2.960
   45   HD21  LEU   6          HD21      LEU   6  18.897   5.250   3.882
   46   HD22  LEU   6          HD22      LEU   6  17.843   6.169   4.957
   47   HD23  LEU   6          HD23      LEU   6  19.579   6.480   4.946
   48    H    GLU   7           HN       GLU   7  15.601   7.187   0.366
   49    HA   GLU   7           HA       GLU   7  14.023   8.748   2.092
   50    HB2  GLU   7           HB2      GLU   7  13.566   8.059  -0.817
   51    HB3  GLU   7           HB1      GLU   7  12.775   9.362   0.057
   52    HG2  GLU   7           HG2      GLU   7  14.877  10.503   0.350
   53    HG3  GLU   7           HG1      GLU   7  15.746   9.163  -0.396
   54    H    GLU   8           HN       GLU   8  13.537   5.581   0.736
   55    HA   GLU   8           HA       GLU   8  10.735   5.462   0.997
   56    HB2  GLU   8           HB2      GLU   8  12.729   3.190   1.055
   57    HB3  GLU   8           HB1      GLU   8  11.005   3.052   0.737
   58    HG2  GLU   8           HG2      GLU   8  13.036   4.459  -0.981
   59    HG3  GLU   8           HG1      GLU   8  12.249   2.920  -1.325
   60    H    GLN   9           HN       GLN   9  13.370   4.987   3.205
   61    HA   GLN   9           HA       GLN   9  11.670   3.758   5.215
   62    HB2  GLN   9           HB2      GLN   9  14.510   4.695   5.600
   63    HB3  GLN   9           HB1      GLN   9  13.653   3.433   6.473
   64    HG2  GLN   9           HG2      GLN   9  14.674   3.337   3.648
   65    HG3  GLN   9           HG1      GLN   9  15.231   2.396   5.029
   66   HE21  GLN   9          HE21      GLN   9  13.472   2.288   2.295
   67   HE22  GLN   9          HE22      GLN   9  12.429   0.953   2.660
   68    H    MET  10           HN       MET  10  11.833   6.767   4.132
   69    HA   MET  10           HA       MET  10  11.960   8.024   6.791
   70    HB2  MET  10           HB2      MET  10  12.158   9.298   4.058
   71    HB3  MET  10           HB1      MET  10  12.276  10.151   5.591
   72    HG2  MET  10           HG2      MET  10  14.171   8.054   4.551
   73    HG3  MET  10           HG1      MET  10  14.472   9.789   4.662
   74    HE1  MET  10           HE1      MET  10  14.700  10.413   8.473
   75    HE2  MET  10           HE2      MET  10  13.103  10.325   7.730
   76    HE3  MET  10           HE3      MET  10  14.434  11.105   6.873
   77    H    ASN  11           HN       ASN  11  10.278   8.953   3.814
   78    HA   ASN  11           HA       ASN  11   7.867   9.437   5.419
   79    HB2  ASN  11           HB2      ASN  11   7.119  10.508   3.142
   80    HB3  ASN  11           HB1      ASN  11   8.152  11.415   4.263
   81   HD21  ASN  11          HD21      ASN  11   9.765  12.412   3.306
   82   HD22  ASN  11          HD22      ASN  11  10.568  11.916   1.857
   83    H    SER  12           HN       SER  12   8.949   8.091   2.420
   84    HA   SER  12           HA       SER  12   7.008   7.297   1.001
   85    HB2  SER  12           HB2      SER  12   9.279   6.535   0.638
   86    HB3  SER  12           HB1      SER  12   9.151   5.427   2.026
   87    HG   SER  12           HG       SER  12   8.828   4.547  -0.221
   88    H    ILE  13           HN       ILE  13   7.948   4.896   3.383
   89    HA   ILE  13           HA       ILE  13   5.624   3.336   3.062
   90    HB   ILE  13           HB       ILE  13   7.791   3.276   5.148
   91   HG12  ILE  13          HG12      ILE  13   7.460   1.787   2.550
   92   HG13  ILE  13          HG11      ILE  13   8.573   3.137   2.875
   93   HG21  ILE  13          HG21      ILE  13   6.410   0.774   4.416
   94   HG22  ILE  13          HG22      ILE  13   5.461   1.913   5.373
   95   HG23  ILE  13          HG23      ILE  13   7.006   1.318   5.984
   96   HD11  ILE  13          HD11      ILE  13   9.376   0.627   2.943
   97   HD12  ILE  13          HD12      ILE  13   8.742   0.709   4.588
   98   HD13  ILE  13          HD13      ILE  13  10.008   1.825   4.073
   99    H    ASN  14           HN       ASN  14   6.098   6.088   4.785
  100    HA   ASN  14           HA       ASN  14   3.971   5.461   6.729
  101    HB2  ASN  14           HB2      ASN  14   5.724   7.915   6.523
  102    HB3  ASN  14           HB1      ASN  14   4.435   7.694   7.702
  103   HD21  ASN  14          HD21      ASN  14   7.656   7.555   7.339
  104   HD22  ASN  14          HD22      ASN  14   8.047   6.397   8.558
  105    H    SER  15           HN       SER  15   4.768   7.607   4.054
  106    HA   SER  15           HA       SER  15   2.314   9.014   4.109
  107    HB2  SER  15           HB2      SER  15   2.970   9.878   1.903
  108    HB3  SER  15           HB1      SER  15   4.280  10.012   3.080
  109    HG   SER  15           HG       SER  15   4.667   7.692   1.993
  110    H    VAL  16           HN       VAL  16   3.355   6.008   2.705
  111    HA   VAL  16           HA       VAL  16   1.489   5.595   0.678
  112    HB   VAL  16           HB       VAL  16   3.359   4.057   1.157
  113   HG11  VAL  16          HG11      VAL  16   1.811   3.555   3.640
  114   HG12  VAL  16          HG12      VAL  16   3.543   3.800   3.419
  115   HG13  VAL  16          HG13      VAL  16   2.800   2.274   2.944
  116   HG21  VAL  16          HG21      VAL  16   1.817   3.040  -0.249
  117   HG22  VAL  16          HG22      VAL  16   0.569   2.972   1.005
  118   HG23  VAL  16          HG23      VAL  16   1.951   1.879   1.071
  119    H    ASN  17           HN       ASN  17   1.172   5.581   4.071
  120    HA   ASN  17           HA       ASN  17  -1.415   4.333   4.224
  121    HB2  ASN  17           HB2      ASN  17   0.012   6.144   6.203
  122    HB3  ASN  17           HB1      ASN  17  -1.439   5.215   6.544
  123   HD21  ASN  17          HD21      ASN  17  -0.985   3.575   7.793
  124   HD22  ASN  17          HD22      ASN  17   0.415   2.564   7.695
  125    H    ASP  18           HN       ASP  18  -0.139   7.598   4.206
  126    HA   ASP  18           HA       ASP  18  -2.440   9.027   4.707
  127    HB2  ASP  18           HB2      ASP  18   0.063   9.655   3.177
  128    HB3  ASP  18           HB1      ASP  18  -1.188  10.848   3.414
  129    H    LYS  19           HN       LYS  19  -1.814   7.252   1.820
  130    HA   LYS  19           HA       LYS  19  -3.634   8.945   0.226
  131    HB2  LYS  19           HB2      LYS  19  -2.432   6.284  -0.575
  132    HB3  LYS  19           HB1      LYS  19  -3.304   7.408  -1.620
  133    HG2  LYS  19           HG2      LYS  19  -1.080   7.731  -2.176
  134    HG3  LYS  19           HG1      LYS  19  -1.416   9.064  -1.047
  135    HD2  LYS  19           HD2      LYS  19  -0.521   7.721   0.783
  136    HD3  LYS  19           HD1      LYS  19  -0.188   6.424  -0.362
  137    HE2  LYS  19           HE2      LYS  19   1.005   9.176  -0.436
  138    HE3  LYS  19           HE1      LYS  19   1.794   7.741   0.246
  139    HZ1  LYS  19           HZ1      LYS  19   0.837   7.585  -2.530
  140    HZ2  LYS  19           HZ2      LYS  19   2.213   6.893  -1.810
  141    HZ3  LYS  19           HZ3      LYS  19   2.214   8.535  -2.236
  142    H    LEU  20           HN       LEU  20  -3.282   5.858   1.666
  143    HA   LEU  20           HA       LEU  20  -5.754   4.773   0.865
  144    HB2  LEU  20           HB2      LEU  20  -3.920   4.046   3.147
  145    HB3  LEU  20           HB1      LEU  20  -5.107   2.984   2.390
  146    HG   LEU  20           HG       LEU  20  -2.647   4.114   1.049
  147   HD11  LEU  20          HD11      LEU  20  -1.533   2.227   1.487
  148   HD12  LEU  20          HD12      LEU  20  -2.980   1.221   1.400
  149   HD13  LEU  20          HD13      LEU  20  -2.637   2.148   2.861
  150   HD21  LEU  20          HD21      LEU  20  -4.602   2.056   0.031
  151   HD22  LEU  20          HD22      LEU  20  -3.212   2.723  -0.825
  152   HD23  LEU  20          HD23      LEU  20  -4.596   3.750  -0.456
  153    H    ASN  21           HN       ASN  21  -4.517   6.354   3.722
  154    HA   ASN  21           HA       ASN  21  -6.845   6.049   5.329
  155    HB2  ASN  21           HB2      ASN  21  -4.385   7.785   5.565
  156    HB3  ASN  21           HB1      ASN  21  -5.671   7.808   6.769
  157   HD21  ASN  21          HD21      ASN  21  -5.404   4.712   5.554
  158   HD22  ASN  21          HD22      ASN  21  -4.354   4.045   6.769
  159    H    LYS  22           HN       LYS  22  -8.649   6.994   4.160
  160    HA   LYS  22           HA       LYS  22  -8.319   9.902   3.806
  161    HB2  LYS  22           HB2      LYS  22  -9.794   7.980   2.024
  162    HB3  LYS  22           HB1      LYS  22  -9.944   9.741   1.901
  163    HG2  LYS  22           HG2      LYS  22  -7.522   9.904   1.522
  164    HG3  LYS  22           HG1      LYS  22  -7.394   8.149   1.610
  165    HD2  LYS  22           HD2      LYS  22  -7.416   8.908  -0.699
  166    HD3  LYS  22           HD1      LYS  22  -8.843   7.942  -0.340
  167    HE2  LYS  22           HE2      LYS  22  -9.439   9.895  -1.674
  168    HE3  LYS  22           HE1      LYS  22 -10.160   9.997  -0.067
  169    HZ1  LYS  22           HZ1      LYS  22  -7.633  11.361  -0.846
  170    HZ2  LYS  22           HZ2      LYS  22  -8.499  11.565   0.601
  171    HZ3  LYS  22           HZ3      LYS  22  -9.162  12.104  -0.869
  172    H    GLY  23           HN       GLY  23 -10.789   7.442   4.627
  173    HA2  GLY  23           HA2      GLY  23 -11.961   9.064   6.542
  174    HA3  GLY  23           HA1      GLY  23 -12.826   9.317   5.020
  175    H    LYS  24           HN       LYS  24 -14.109   7.685   4.188
  176    HA   LYS  24           HA       LYS  24 -15.626   6.147   5.881
  177    HB2  LYS  24           HB2      LYS  24 -16.078   6.703   3.497
  178    HB3  LYS  24           HB1      LYS  24 -14.960   5.402   3.040
  179    HG2  LYS  24           HG2      LYS  24 -16.380   3.748   3.896
  180    HG3  LYS  24           HG1      LYS  24 -17.374   4.929   4.773
  181    HD2  LYS  24           HD2      LYS  24 -17.990   5.949   2.654
  182    HD3  LYS  24           HD1      LYS  24 -17.087   4.710   1.781
  183    HE2  LYS  24           HE2      LYS  24 -19.497   4.280   3.544
  184    HE3  LYS  24           HE1      LYS  24 -19.461   4.191   1.786
  185    HZ1  LYS  24           HZ1      LYS  24 -18.184   2.340   3.714
  186    HZ2  LYS  24           HZ2      LYS  24 -17.779   2.362   2.067
  187    HZ3  LYS  24           HZ3      LYS  24 -19.363   1.989   2.548
  188    H    GLY  25           HN       GLY  25 -13.008   5.028   3.818
  189    HA2  GLY  25           HA2      GLY  25 -12.213   3.103   5.825
  190    HA3  GLY  25           HA1      GLY  25 -12.585   2.475   4.240
  191    H    LYS  26           HN       LYS  26 -10.154   2.359   5.594
  192    HA   LYS  26           HA       LYS  26  -8.385   3.836   3.821
  193    HB2  LYS  26           HB2      LYS  26  -7.196   4.371   6.072
  194    HB3  LYS  26           HB1      LYS  26  -8.542   5.370   5.506
  195    HG2  LYS  26           HG2      LYS  26 -10.018   3.792   6.803
  196    HG3  LYS  26           HG1      LYS  26  -8.533   3.202   7.570
  197    HD2  LYS  26           HD2      LYS  26  -9.614   4.963   8.923
  198    HD3  LYS  26           HD1      LYS  26  -8.027   5.479   8.335
  199    HE2  LYS  26           HE2      LYS  26  -9.031   6.771   6.581
  200    HE3  LYS  26           HE1      LYS  26 -10.632   6.146   6.967
  201    HZ1  LYS  26           HZ1      LYS  26  -9.087   8.258   8.238
  202    HZ2  LYS  26           HZ2      LYS  26  -9.908   7.219   9.309
  203    HZ3  LYS  26           HZ3      LYS  26 -10.772   8.068   8.124
  204    H    LEU  27           HN       LEU  27  -6.117   3.146   4.049
  205    HA   LEU  27           HA       LEU  27  -5.853   0.477   5.211
  206    HB2  LEU  27           HB2      LEU  27  -6.226   0.031   2.991
  207    HB3  LEU  27           HB1      LEU  27  -5.157   1.338   2.437
  208    HG   LEU  27           HG       LEU  27  -3.226   0.082   3.289
  209   HD11  LEU  27          HD11      LEU  27  -3.375  -1.803   4.510
  210   HD12  LEU  27          HD12      LEU  27  -4.626  -2.485   3.470
  211   HD13  LEU  27          HD13      LEU  27  -5.064  -1.359   4.754
  212   HD21  LEU  27          HD21      LEU  27  -4.749  -0.425   0.997
  213   HD22  LEU  27          HD22      LEU  27  -4.277  -2.012   1.604
  214   HD23  LEU  27          HD23      LEU  27  -3.045  -0.801   1.253
  215    H    SER  28           HN       SER  28  -3.938  -0.054   6.059
  216    HA   SER  28           HA       SER  28  -1.819   1.976   6.112
  217    HB2  SER  28           HB2      SER  28  -2.928   0.363   8.425
  218    HB3  SER  28           HB1      SER  28  -1.596   1.515   8.538
  219    HG   SER  28           HG       SER  28  -4.262   1.971   8.606
  220    H    LEU  29           HN       LEU  29   0.307   1.112   6.253
  221    HA   LEU  29           HA       LEU  29   0.461  -1.801   6.371
  222    HB2  LEU  29           HB2      LEU  29   2.144  -0.538   4.287
  223    HB3  LEU  29           HB1      LEU  29   1.364  -2.133   4.332
  224    HG   LEU  29           HG       LEU  29  -0.841  -0.736   4.021
  225   HD11  LEU  29          HD11      LEU  29   0.307   1.136   2.283
  226   HD12  LEU  29          HD12      LEU  29   1.163   1.286   3.819
  227   HD13  LEU  29          HD13      LEU  29  -0.595   1.433   3.768
  228   HD21  LEU  29          HD21      LEU  29   0.902  -2.103   2.290
  229   HD22  LEU  29          HD22      LEU  29   0.423  -0.631   1.444
  230   HD23  LEU  29          HD23      LEU  29  -0.806  -1.746   2.041
  231    H    SER  30           HN       SER  30   2.413  -2.627   7.012
  232    HA   SER  30           HA       SER  30   4.626  -0.846   7.618
  233    HB2  SER  30           HB2      SER  30   3.251  -2.475   9.779
  234    HB3  SER  30           HB1      SER  30   4.716  -1.512   9.981
  235    HG   SER  30           HG       SER  30   2.695  -0.042   8.911
  236    H    MET  31           HN       MET  31   6.394  -2.322   8.765
  237    HA   MET  31           HA       MET  31   6.241  -5.059   7.722
  238    HB2  MET  31           HB2      MET  31   8.539  -4.905   6.831
  239    HB3  MET  31           HB1      MET  31   7.407  -3.826   5.983
  240    HG2  MET  31           HG2      MET  31   8.252  -1.934   7.276
  241    HG3  MET  31           HG1      MET  31   9.369  -3.002   8.126
  242    HE1  MET  31           HE1      MET  31  11.410  -0.633   5.695
  243    HE2  MET  31           HE2      MET  31  11.699  -1.475   7.219
  244    HE3  MET  31           HE3      MET  31  10.244  -0.500   7.011
  245    H    ASN  32           HN       ASN  32   8.038  -6.386   8.518
  246    HA   ASN  32           HA       ASN  32   9.306  -5.512  10.985
  247    HB2  ASN  32           HB2      ASN  32   7.081  -6.444  11.685
  248    HB3  ASN  32           HB1      ASN  32   7.514  -7.969  10.894
  249   HD21  ASN  32          HD21      ASN  32  10.272  -6.623  12.215
  250   HD22  ASN  32          HD22      ASN  32  10.289  -7.490  13.721
  251    H    GLY  33           HN       GLY  33  11.207  -5.752   9.721
  252    HA2  GLY  33           HA2      GLY  33  13.059  -6.954   8.949
  253    HA3  GLY  33           HA1      GLY  33  12.270  -8.437   9.538
  254    H    ASN  34           HN       ASN  34  11.127  -9.675   8.168
  255    HA   ASN  34           HA       ASN  34  10.791  -8.712   5.402
  256    HB2  ASN  34           HB2      ASN  34  11.384 -11.516   6.367
  257    HB3  ASN  34           HB1      ASN  34  10.867 -11.137   4.728
  258   HD21  ASN  34          HD21      ASN  34  13.477 -11.684   6.646
  259   HD22  ASN  34          HD22      ASN  34  14.701 -10.908   5.680
  260    H    GLN  35           HN       GLN  35   9.024  -8.415   7.666
  261    HA   GLN  35           HA       GLN  35   6.802 -10.203   6.958
  262    HB2  GLN  35           HB2      GLN  35   7.534 -10.101   9.358
  263    HB3  GLN  35           HB1      GLN  35   7.074  -8.402   9.370
  264    HG2  GLN  35           HG2      GLN  35   5.365  -9.790  10.393
  265    HG3  GLN  35           HG1      GLN  35   4.762  -9.003   8.934
  266   HE21  GLN  35          HE21      GLN  35   3.513 -10.266   7.785
  267   HE22  GLN  35          HE22      GLN  35   3.691 -11.986   7.585
  268    H    LEU  36           HN       LEU  36   4.763  -9.350   6.519
  269    HA   LEU  36           HA       LEU  36   4.728  -6.479   5.903
  270    HB2  LEU  36           HB2      LEU  36   4.834  -7.781   3.911
  271    HB3  LEU  36           HB1      LEU  36   3.480  -8.796   4.421
  272    HG   LEU  36           HG       LEU  36   2.965  -7.155   2.596
  273   HD11  LEU  36          HD11      LEU  36   1.055  -7.900   3.643
  274   HD12  LEU  36          HD12      LEU  36   0.932  -6.153   3.858
  275   HD13  LEU  36          HD13      LEU  36   1.483  -7.167   5.187
  276   HD21  LEU  36          HD21      LEU  36   2.634  -4.801   3.207
  277   HD22  LEU  36          HD22      LEU  36   4.326  -5.287   3.319
  278   HD23  LEU  36          HD23      LEU  36   3.357  -5.113   4.783
  279    H    LYS  37           HN       LYS  37   3.089  -5.313   6.629
  280    HA   LYS  37           HA       LYS  37   1.003  -6.685   8.207
  281    HB2  LYS  37           HB2      LYS  37   2.483  -4.155   8.968
  282    HB3  LYS  37           HB1      LYS  37   1.419  -5.129  10.000
  283    HG2  LYS  37           HG2      LYS  37   4.067  -6.071   8.885
  284    HG3  LYS  37           HG1      LYS  37   3.866  -5.340  10.488
  285    HD2  LYS  37           HD2      LYS  37   2.692  -7.936   9.497
  286    HD3  LYS  37           HD1      LYS  37   3.961  -7.736  10.693
  287    HE2  LYS  37           HE2      LYS  37   2.323  -6.533  12.145
  288    HE3  LYS  37           HE1      LYS  37   1.064  -6.945  10.981
  289    HZ1  LYS  37           HZ1      LYS  37   2.637  -8.777  12.687
  290    HZ2  LYS  37           HZ2      LYS  37   1.770  -9.336  11.336
  291    HZ3  LYS  37           HZ3      LYS  37   0.949  -8.586  12.623
  292    H    ALA  38           HN       ALA  38  -0.940  -6.102   7.227
  293    HA   ALA  38           HA       ALA  38  -1.220  -3.254   6.492
  294    HB1  ALA  38           HB1      ALA  38  -1.975  -3.813   4.483
  295    HB2  ALA  38           HB2      ALA  38  -3.164  -4.915   5.178
  296    HB3  ALA  38           HB3      ALA  38  -1.532  -5.486   4.830
  297    H    THR  39           HN       THR  39  -3.071  -2.217   6.970
  298    HA   THR  39           HA       THR  39  -5.114  -3.570   8.546
  299    HB   THR  39           HB       THR  39  -4.961  -1.525  10.141
  300    HG1  THR  39           HG1      THR  39  -2.312  -1.553   9.150
  301   HG21  THR  39          HG21      THR  39  -2.743  -2.697  11.171
  302   HG22  THR  39          HG22      THR  39  -3.396  -3.989  10.164
  303   HG23  THR  39          HG23      THR  39  -4.396  -3.261  11.421
  304    H    SER  40           HN       SER  40  -7.101  -2.839   8.119
  305    HA   SER  40           HA       SER  40  -7.379  -0.282   6.634
  306    HB2  SER  40           HB2      SER  40  -9.629  -1.163   5.996
  307    HB3  SER  40           HB1      SER  40  -8.268  -2.044   5.301
  308    HG   SER  40           HG       SER  40  -8.792  -3.773   6.457
  309    H    SER  41           HN       SER  41  -8.359   1.284   7.689
  310    HA   SER  41           HA       SER  41  -9.381   0.583  10.337
  311    HB2  SER  41           HB2      SER  41  -8.818   3.331   9.195
  312    HB3  SER  41           HB1      SER  41  -9.266   2.974  10.864
  313    HG   SER  41           HG       SER  41  -6.848   3.052   9.868
  314    H    ASN  42           HN       ASN  42 -11.357   1.161  11.093
  315    HA   ASN  42           HA       ASN  42 -13.612   1.530  11.047
  316    HB2  ASN  42           HB2      ASN  42 -13.247   2.294   8.132
  317    HB3  ASN  42           HB1      ASN  42 -14.807   2.329   9.034
  318   HD21  ASN  42          HD21      ASN  42 -12.366   4.199   7.956
  319   HD22  ASN  42          HD22      ASN  42 -12.432   5.490   9.131
  320    H    ALA  43           HN       ALA  43 -11.748  -0.661   9.822
  321    HA   ALA  43           HA       ALA  43 -11.932  -2.856   9.254
  322    HB1  ALA  43           HB1      ALA  43 -14.498  -3.079  10.665
  323    HB2  ALA  43           HB2      ALA  43 -13.189  -2.294  11.550
  324    HB3  ALA  43           HB3      ALA  43 -12.974  -3.927  10.918
  325    H    GLY  44           HN       GLY  44 -12.594  -2.019   6.876
  326    HA2  GLY  44           HA2      GLY  44 -13.588  -3.719   5.393
  327    HA3  GLY  44           HA1      GLY  44 -15.067  -3.465   6.352
  328    H    TYR  45           HN       TYR  45 -14.232  -0.469   6.135
  329    HA   TYR  45           HA       TYR  45 -15.976  -0.056   3.873
  330    HB2  TYR  45           HB2      TYR  45 -14.739   1.878   5.846
  331    HB3  TYR  45           HB1      TYR  45 -15.757   2.384   4.486
  332    HD1  TYR  45           HD1      TYR  45 -17.660   3.283   5.650
  333    HD2  TYR  45           HD2      TYR  45 -16.236  -0.609   6.664
  334    HE1  TYR  45           HE1      TYR  45 -19.651   2.910   7.020
  335    HE2  TYR  45           HE2      TYR  45 -18.231  -0.978   8.042
  336    HH   TYR  45           HH       TYR  45 -20.972   0.814   7.827
  337    H    GLY  46           HN       GLY  46 -15.539   1.451   2.152
  338    HA2  GLY  46           HA2      GLY  46 -12.720   1.394   1.275
  339    HA3  GLY  46           HA1      GLY  46 -14.119   1.618   0.217
  340    H    ILE  47           HN       ILE  47 -12.517   3.469  -0.392
  341    HA   ILE  47           HA       ILE  47 -12.020   5.745   1.080
  342    HB   ILE  47           HB       ILE  47 -13.116   5.762  -1.700
  343   HG12  ILE  47          HG12      ILE  47 -11.341   4.112  -1.540
  344   HG13  ILE  47          HG11      ILE  47 -10.830   5.536  -2.440
  345   HG21  ILE  47          HG21      ILE  47 -12.422   7.895  -1.858
  346   HG22  ILE  47          HG22      ILE  47 -10.929   7.569  -0.975
  347   HG23  ILE  47          HG23      ILE  47 -12.429   7.859  -0.094
  348   HD11  ILE  47          HD11      ILE  47  -9.610   6.343  -0.492
  349   HD12  ILE  47          HD12      ILE  47  -9.069   4.730  -0.965
  350   HD13  ILE  47          HD13      ILE  47 -10.145   4.931   0.418
  351    H    SER  48           HN       SER  48 -14.715   5.120  -1.022
  352    HA   SER  48           HA       SER  48 -16.773   5.998   0.666
  353    HB2  SER  48           HB2      SER  48 -17.333   8.145  -0.445
  354    HB3  SER  48           HB1      SER  48 -15.749   8.191   0.366
  355    HG   SER  48           HG       SER  48 -14.923   8.717  -1.477
  356    H    TYR  49           HN       TYR  49 -16.970   7.168  -2.528
  357    HA   TYR  49           HA       TYR  49 -17.516   4.602  -3.665
  358    HB2  TYR  49           HB2      TYR  49 -19.570   5.603  -4.906
  359    HB3  TYR  49           HB1      TYR  49 -19.756   4.872  -3.309
  360    HD1  TYR  49           HD1      TYR  49 -21.443   6.004  -2.118
  361    HD2  TYR  49           HD2      TYR  49 -18.719   8.314  -4.467
  362    HE1  TYR  49           HE1      TYR  49 -22.506   8.054  -1.333
  363    HE2  TYR  49           HE2      TYR  49 -19.798  10.372  -3.674
  364    HH   TYR  49           HH       TYR  49 -21.181  11.048  -1.563
  365    H    GLU  50           HN       GLU  50 -15.499   5.160  -4.467
  366    HA   GLU  50           HA       GLU  50 -15.670   6.719  -6.927
  367    HB2  GLU  50           HB2      GLU  50 -13.512   6.946  -4.822
  368    HB3  GLU  50           HB1      GLU  50 -13.336   7.574  -6.449
  369    HG2  GLU  50           HG2      GLU  50 -15.195   9.095  -6.071
  370    HG3  GLU  50           HG1      GLU  50 -15.398   8.444  -4.435
  371    H    ASP  51           HN       ASP  51 -13.362   6.335  -8.115
  372    HA   ASP  51           HA       ASP  51 -12.618   3.556  -7.635
  373    HB2  ASP  51           HB2      ASP  51 -12.382   3.099 -10.018
  374    HB3  ASP  51           HB1      ASP  51 -14.032   3.567  -9.610
  375    H    LYS  52           HN       LYS  52 -10.570   2.977  -7.771
  376    HA   LYS  52           HA       LYS  52  -8.525   4.928  -8.447
  377    HB2  LYS  52           HB2      LYS  52  -8.848   3.641  -5.761
  378    HB3  LYS  52           HB1      LYS  52  -7.348   4.372  -6.292
  379    HG2  LYS  52           HG2      LYS  52  -8.314   5.989  -4.957
  380    HG3  LYS  52           HG1      LYS  52  -8.734   6.495  -6.585
  381    HD2  LYS  52           HD2      LYS  52 -10.967   5.395  -6.284
  382    HD3  LYS  52           HD1      LYS  52 -10.512   5.092  -4.600
  383    HE2  LYS  52           HE2      LYS  52 -10.727   7.795  -5.925
  384    HE3  LYS  52           HE1      LYS  52 -11.859   7.113  -4.757
  385    HZ1  LYS  52           HZ1      LYS  52  -9.985   7.060  -3.146
  386    HZ2  LYS  52           HZ2      LYS  52 -10.417   8.626  -3.633
  387    HZ3  LYS  52           HZ3      LYS  52  -9.029   7.893  -4.274
  388    H    ASN  53           HN       ASN  53  -6.708   3.958  -9.250
  389    HA   ASN  53           HA       ASN  53  -6.645   1.019  -9.064
  390    HB2  ASN  53           HB2      ASN  53  -5.546   2.830 -11.220
  391    HB3  ASN  53           HB1      ASN  53  -5.152   1.108 -11.090
  392   HD21  ASN  53          HD21      ASN  53  -8.284   1.518 -10.011
  393   HD22  ASN  53          HD22      ASN  53  -9.100   1.135 -11.500
  394    H    TRP  54           HN       TRP  54  -4.995   0.113  -8.040
  395    HA   TRP  54           HA       TRP  54  -2.767   1.879  -7.309
  396    HB2  TRP  54           HB2      TRP  54  -4.602   0.327  -5.644
  397    HB3  TRP  54           HB1      TRP  54  -2.887  -0.005  -5.297
  398    HD1  TRP  54           HD1      TRP  54  -5.094   3.215  -5.695
  399    HE1  TRP  54           HE1      TRP  54  -4.138   4.936  -4.026
  400    HE3  TRP  54           HE3      TRP  54  -1.284   0.450  -3.813
  401    HZ2  TRP  54           HZ2      TRP  54  -1.963   5.046  -2.191
  402    HZ3  TRP  54           HZ3      TRP  54   0.162   1.438  -2.117
  403    HH2  TRP  54           HH2      TRP  54  -0.186   3.681  -1.304
  404    H    GLY  55           HN       GLY  55  -0.835   0.771  -6.498
  405    HA2  GLY  55           HA2      GLY  55  -0.474  -1.968  -7.290
  406    HA3  GLY  55           HA1      GLY  55   0.473  -0.834  -8.252
  407    H    ILE  56           HN       ILE  56   1.764  -2.657  -6.951
  408    HA   ILE  56           HA       ILE  56   3.220  -1.333  -4.737
  409    HB   ILE  56           HB       ILE  56   2.272  -4.224  -4.868
  410   HG12  ILE  56          HG12      ILE  56   1.674  -2.134  -2.767
  411   HG13  ILE  56          HG11      ILE  56   0.589  -2.461  -4.136
  412   HG21  ILE  56          HG21      ILE  56   4.420  -4.306  -3.934
  413   HG22  ILE  56          HG22      ILE  56   3.313  -4.320  -2.560
  414   HG23  ILE  56          HG23      ILE  56   4.160  -2.835  -2.996
  415   HD11  ILE  56          HD11      ILE  56   0.647  -4.895  -3.286
  416   HD12  ILE  56          HD12      ILE  56  -0.301  -3.706  -2.390
  417   HD13  ILE  56          HD13      ILE  56   1.285  -4.199  -1.795
  418    H    PHE  57           HN       PHE  57   5.210  -1.057  -5.588
  419    HA   PHE  57           HA       PHE  57   6.038  -2.962  -7.660
  420    HB2  PHE  57           HB2      PHE  57   6.934  -0.086  -7.322
  421    HB3  PHE  57           HB1      PHE  57   7.259  -1.147  -8.709
  422    HD1  PHE  57           HD1      PHE  57   5.840  -1.079 -10.542
  423    HD2  PHE  57           HD2      PHE  57   4.447   0.421  -6.812
  424    HE1  PHE  57           HE1      PHE  57   3.790  -0.253 -11.624
  425    HE2  PHE  57           HE2      PHE  57   2.413   1.221  -7.869
  426    HZ   PHE  57           HZ       PHE  57   2.067   0.892 -10.272
  427    H    VAL  58           HN       VAL  58   7.438  -4.396  -6.898
  428    HA   VAL  58           HA       VAL  58   9.539  -3.670  -5.011
  429    HB   VAL  58           HB       VAL  58   8.947  -6.271  -6.432
  430   HG11  VAL  58          HG11      VAL  58  11.016  -5.674  -4.329
  431   HG12  VAL  58          HG12      VAL  58  11.320  -6.147  -6.003
  432   HG13  VAL  58          HG13      VAL  58  10.568  -7.286  -4.886
  433   HG21  VAL  58          HG21      VAL  58   8.812  -6.054  -3.505
  434   HG22  VAL  58          HG22      VAL  58   7.764  -6.920  -4.631
  435   HG23  VAL  58          HG23      VAL  58   7.566  -5.184  -4.401
  436    H    ASN  59           HN       ASN  59  11.022  -2.358  -5.970
  437    HA   ASN  59           HA       ASN  59  12.668  -1.618  -7.366
  438    HB2  ASN  59           HB2      ASN  59  12.805  -4.530  -8.208
  439    HB3  ASN  59           HB1      ASN  59  13.992  -3.282  -8.649
  440   HD21  ASN  59          HD21      ASN  59  13.439  -5.774  -6.636
  441   HD22  ASN  59          HD22      ASN  59  14.464  -5.325  -5.317
  442    H    GLY  60           HN       GLY  60  10.091  -1.232  -8.208
  443    HA2  GLY  60           HA2      GLY  60   8.981  -0.475 -10.053
  444    HA3  GLY  60           HA1      GLY  60  10.450  -0.801 -10.994
  445    H    GLU  61           HN       GLU  61   8.374  -2.938  -9.112
  446    HA   GLU  61           HA       GLU  61   7.474  -4.266 -11.550
  447    HB2  GLU  61           HB2      GLU  61   8.503  -5.715  -9.102
  448    HB3  GLU  61           HB1      GLU  61   7.814  -6.457 -10.534
  449    HG2  GLU  61           HG2      GLU  61   9.687  -5.571 -11.865
  450    HG3  GLU  61           HG1      GLU  61  10.382  -4.912 -10.375
  451    H    LYS  62           HN       LYS  62   5.340  -3.785 -11.418
  452    HA   LYS  62           HA       LYS  62   3.977  -3.451  -8.943
  453    HB2  LYS  62           HB2      LYS  62   3.342  -2.361 -11.104
  454    HB3  LYS  62           HB1      LYS  62   2.790  -3.944 -11.696
  455    HG2  LYS  62           HG2      LYS  62   1.185  -4.002  -9.772
  456    HG3  LYS  62           HG1      LYS  62   1.650  -2.317  -9.418
  457    HD2  LYS  62           HD2      LYS  62   0.473  -3.319 -12.007
  458    HD3  LYS  62           HD1      LYS  62  -0.414  -2.463 -10.758
  459    HE2  LYS  62           HE2      LYS  62   0.980  -0.497 -11.125
  460    HE3  LYS  62           HE1      LYS  62   1.921  -1.373 -12.332
  461    HZ1  LYS  62           HZ1      LYS  62  -0.997  -1.116 -12.657
  462    HZ2  LYS  62           HZ2      LYS  62   0.204  -1.351 -13.835
  463    HZ3  LYS  62           HZ3      LYS  62   0.028   0.170 -13.102
  464    H    VAL  63           HN       VAL  63   3.974  -5.249  -7.665
  465    HA   VAL  63           HA       VAL  63   3.511  -7.854  -8.811
  466    HB   VAL  63           HB       VAL  63   3.968  -8.737  -6.627
  467   HG11  VAL  63          HG11      VAL  63   6.291  -7.805  -6.358
  468   HG12  VAL  63          HG12      VAL  63   5.877  -6.639  -7.614
  469   HG13  VAL  63          HG13      VAL  63   5.875  -8.365  -7.978
  470   HG21  VAL  63          HG21      VAL  63   3.245  -6.125  -5.738
  471   HG22  VAL  63          HG22      VAL  63   4.888  -6.477  -5.203
  472   HG23  VAL  63          HG23      VAL  63   3.569  -7.567  -4.776
  473    H    TYR  64           HN       TYR  64   1.577  -5.473  -7.242
  474    HA   TYR  64           HA       TYR  64  -0.684  -7.282  -7.415
  475    HB2  TYR  64           HB2      TYR  64   0.144  -7.583  -5.098
  476    HB3  TYR  64           HB1      TYR  64  -0.074  -5.837  -4.832
  477    HD1  TYR  64           HD1      TYR  64  -2.271  -8.295  -6.577
  478    HD2  TYR  64           HD2      TYR  64  -1.822  -5.659  -3.267
  479    HE1  TYR  64           HE1      TYR  64  -4.612  -8.680  -5.958
  480    HE2  TYR  64           HE2      TYR  64  -4.163  -6.053  -2.641
  481    HH   TYR  64           HH       TYR  64  -5.904  -7.881  -3.005
  482    H    THR  65           HN       THR  65  -2.589  -6.295  -7.852
  483    HA   THR  65           HA       THR  65  -2.633  -3.370  -7.903
  484    HB   THR  65           HB       THR  65  -3.990  -5.195  -9.775
  485    HG1  THR  65           HG1      THR  65  -2.462  -4.781 -11.207
  486   HG21  THR  65          HG21      THR  65  -5.233  -3.101  -9.398
  487   HG22  THR  65          HG22      THR  65  -4.663  -3.295 -11.056
  488   HG23  THR  65          HG23      THR  65  -3.808  -2.218  -9.949
  489    H    PHE  66           HN       PHE  66  -4.030  -2.580  -6.436
  490    HA   PHE  66           HA       PHE  66  -6.572  -4.034  -6.082
  491    HB2  PHE  66           HB2      PHE  66  -6.706  -3.420  -3.760
  492    HB3  PHE  66           HB1      PHE  66  -5.233  -4.374  -4.081
  493    HD1  PHE  66           HD1      PHE  66  -6.404  -0.849  -3.643
  494    HD2  PHE  66           HD2      PHE  66  -3.210  -3.637  -3.229
  495    HE1  PHE  66           HE1      PHE  66  -5.100   0.834  -2.424
  496    HE2  PHE  66           HE2      PHE  66  -1.896  -1.951  -2.011
  497    HZ   PHE  66           HZ       PHE  66  -2.836   0.299  -1.606
  498    H    ASN  67           HN       ASN  67  -8.380  -2.726  -5.682
  499    HA   ASN  67           HA       ASN  67  -7.983   0.039  -6.624
  500    HB2  ASN  67           HB2      ASN  67 -10.355  -1.792  -7.122
  501    HB3  ASN  67           HB1      ASN  67 -10.180  -0.136  -7.717
  502   HD21  ASN  67          HD21      ASN  67 -10.012  -3.238  -8.625
  503   HD22  ASN  67          HD22      ASN  67  -8.873  -3.122  -9.923
  504    H    GLU  68           HN       GLU  68  -8.945   1.650  -5.425
  505    HA   GLU  68           HA       GLU  68  -9.823   1.017  -2.812
  506    HB2  GLU  68           HB2      GLU  68 -10.224   3.618  -4.256
  507    HB3  GLU  68           HB1      GLU  68 -10.308   3.360  -2.531
  508    HG2  GLU  68           HG2      GLU  68  -7.845   3.086  -4.246
  509    HG3  GLU  68           HG1      GLU  68  -8.226   4.422  -3.148
  510    H    LYS  69           HN       LYS  69 -11.358   0.767  -5.705
  511    HA   LYS  69           HA       LYS  69 -14.103   1.277  -5.097
  512    HB2  LYS  69           HB2      LYS  69 -12.921  -0.917  -6.820
  513    HB3  LYS  69           HB1      LYS  69 -14.563  -0.249  -6.920
  514    HG2  LYS  69           HG2      LYS  69 -13.739   1.852  -7.693
  515    HG3  LYS  69           HG1      LYS  69 -12.053   1.318  -7.489
  516    HD2  LYS  69           HD2      LYS  69 -12.619   1.200  -9.822
  517    HD3  LYS  69           HD1      LYS  69 -12.489  -0.445  -9.207
  518    HE2  LYS  69           HE2      LYS  69 -15.087   1.050  -9.577
  519    HE3  LYS  69           HE1      LYS  69 -14.406  -0.069 -10.754
  520    HZ1  LYS  69           HZ1      LYS  69 -15.669  -1.550  -9.686
  521    HZ2  LYS  69           HZ2      LYS  69 -15.809  -0.607  -8.277
  522    HZ3  LYS  69           HZ3      LYS  69 -14.427  -1.568  -8.527
  523    H    SER  70           HN       SER  70 -11.912  -1.441  -4.935
  524    HA   SER  70           HA       SER  70 -13.580  -3.151  -3.391
  525    HB2  SER  70           HB2      SER  70 -11.675  -4.004  -4.767
  526    HB3  SER  70           HB1      SER  70 -10.567  -3.161  -3.636
  527    HG   SER  70           HG       SER  70 -10.675  -5.083  -2.701
  528    H    THR  71           HN       THR  71 -13.855  -3.063  -1.202
  529    HA   THR  71           HA       THR  71 -13.096  -0.774   0.220
  530    HB   THR  71           HB       THR  71 -13.840  -1.989   2.182
  531    HG1  THR  71           HG1      THR  71 -14.610  -4.141   1.900
  532   HG21  THR  71          HG21      THR  71 -15.882  -2.889   0.295
  533   HG22  THR  71          HG22      THR  71 -15.417  -1.193   0.147
  534   HG23  THR  71          HG23      THR  71 -16.010  -1.815   1.689
  535    H    VAL  72           HN       VAL  72 -11.216  -0.245   1.193
  536    HA   VAL  72           HA       VAL  72  -8.949  -1.672   0.901
  537    HB   VAL  72           HB       VAL  72  -8.454  -0.026   3.128
  538   HG11  VAL  72          HG11      VAL  72  -7.977   0.050   0.153
  539   HG12  VAL  72          HG12      VAL  72  -6.831  -0.256   1.458
  540   HG13  VAL  72          HG13      VAL  72  -7.441   1.376   1.184
  541   HG21  VAL  72          HG21      VAL  72  -9.985   1.481   0.969
  542   HG22  VAL  72          HG22      VAL  72  -9.409   2.077   2.533
  543   HG23  VAL  72          HG23      VAL  72 -10.764   0.952   2.477
  544    H    GLY  73           HN       GLY  73 -11.415  -2.266   3.000
  545    HA2  GLY  73           HA2      GLY  73  -9.985  -3.678   5.061
  546    HA3  GLY  73           HA1      GLY  73 -11.699  -3.724   4.703
  547    H    ASN  74           HN       ASN  74 -12.107  -4.643   2.375
  548    HA   ASN  74           HA       ASN  74 -11.446  -7.391   2.426
  549    HB2  ASN  74           HB2      ASN  74 -13.459  -6.560   1.305
  550    HB3  ASN  74           HB1      ASN  74 -12.460  -5.670   0.143
  551   HD21  ASN  74          HD21      ASN  74 -12.301  -6.617  -1.738
  552   HD22  ASN  74          HD22      ASN  74 -12.328  -8.331  -2.034
  553    H    ILE  75           HN       ILE  75  -9.898  -4.608   1.126
  554    HA   ILE  75           HA       ILE  75  -8.153  -6.001  -0.703
  555    HB   ILE  75           HB       ILE  75  -7.891  -3.304   0.541
  556   HG12  ILE  75          HG12      ILE  75  -8.815  -4.043  -2.282
  557   HG13  ILE  75          HG11      ILE  75  -9.853  -3.461  -0.945
  558   HG21  ILE  75          HG21      ILE  75  -6.267  -2.876  -1.325
  559   HG22  ILE  75          HG22      ILE  75  -6.275  -4.618  -1.605
  560   HG23  ILE  75          HG23      ILE  75  -5.719  -3.975  -0.061
  561   HD11  ILE  75          HD11      ILE  75  -8.401  -1.965  -2.856
  562   HD12  ILE  75          HD12      ILE  75  -7.730  -1.616  -1.265
  563   HD13  ILE  75          HD13      ILE  75  -9.452  -1.389  -1.565
  564    H    SER  76           HN       SER  76  -7.913  -4.844   2.646
  565    HA   SER  76           HA       SER  76  -5.189  -5.720   2.878
  566    HB2  SER  76           HB2      SER  76  -5.868  -3.904   4.297
  567    HB3  SER  76           HB1      SER  76  -7.182  -4.865   4.991
  568    HG   SER  76           HG       SER  76  -5.132  -6.305   5.478
  569    H    ASN  77           HN       ASN  77  -8.216  -7.217   3.053
  570    HA   ASN  77           HA       ASN  77  -7.419  -9.560   4.507
  571    HB2  ASN  77           HB2      ASN  77  -9.488  -9.167   2.322
  572    HB3  ASN  77           HB1      ASN  77  -9.229 -10.691   3.173
  573   HD21  ASN  77          HD21      ASN  77  -8.653  -8.395   5.420
  574   HD22  ASN  77          HD22      ASN  77 -10.244  -8.239   6.097
  575    H    ASP  78           HN       ASP  78  -7.283  -8.364   1.202
  576    HA   ASP  78           HA       ASP  78  -5.980 -10.632   0.085
  577    HB2  ASP  78           HB2      ASP  78  -6.196  -7.779  -0.870
  578    HB3  ASP  78           HB1      ASP  78  -5.370  -9.059  -1.790
  579    H    ILE  79           HN       ILE  79  -4.821  -7.679   1.622
  580    HA   ILE  79           HA       ILE  79  -2.181  -8.042   0.721
  581    HB   ILE  79           HB       ILE  79  -2.832  -6.596   3.329
  582   HG12  ILE  79          HG12      ILE  79  -4.350  -5.832   1.439
  583   HG13  ILE  79          HG11      ILE  79  -3.260  -4.578   2.075
  584   HG21  ILE  79          HG21      ILE  79  -0.878  -5.309   2.764
  585   HG22  ILE  79          HG22      ILE  79  -0.774  -6.067   1.177
  586   HG23  ILE  79          HG23      ILE  79  -0.466  -7.019   2.626
  587   HD11  ILE  79          HD11      ILE  79  -2.642  -6.198  -0.374
  588   HD12  ILE  79          HD12      ILE  79  -1.864  -4.716   0.184
  589   HD13  ILE  79          HD13      ILE  79  -3.522  -4.668  -0.417
  590    H    ASN  80           HN       ASN  80  -4.010  -9.600   3.148
  591    HA   ASN  80           HA       ASN  80  -1.849 -10.615   4.708
  592    HB2  ASN  80           HB2      ASN  80  -4.709 -11.510   4.349
  593    HB3  ASN  80           HB1      ASN  80  -3.579 -12.285   5.438
  594   HD21  ASN  80          HD21      ASN  80  -2.709  -9.147   5.470
  595   HD22  ASN  80          HD22      ASN  80  -3.666  -8.586   6.811
  596    H    LYS  81           HN       LYS  81  -3.769 -11.856   1.958
  597    HA   LYS  81           HA       LYS  81  -2.289 -14.277   1.800
  598    HB2  LYS  81           HB2      LYS  81  -3.126 -14.016  -0.762
  599    HB3  LYS  81           HB1      LYS  81  -4.042 -14.777   0.520
  600    HG2  LYS  81           HG2      LYS  81  -4.376 -11.852   0.029
  601    HG3  LYS  81           HG1      LYS  81  -5.125 -13.020  -1.081
  602    HD2  LYS  81           HD2      LYS  81  -6.046 -14.152   1.046
  603    HD3  LYS  81           HD1      LYS  81  -5.606 -12.649   1.864
  604    HE2  LYS  81           HE2      LYS  81  -7.972 -12.719   1.148
  605    HE3  LYS  81           HE1      LYS  81  -7.064 -11.373   0.466
  606    HZ1  LYS  81           HZ1      LYS  81  -6.876 -13.518  -1.321
  607    HZ2  LYS  81           HZ2      LYS  81  -7.674 -12.036  -1.531
  608    HZ3  LYS  81           HZ3      LYS  81  -8.512 -13.361  -0.888
  609    H    LEU  82           HN       LEU  82  -2.246 -11.483  -0.427
  610    HA   LEU  82           HA       LEU  82  -0.127 -12.133  -1.964
  611    HB2  LEU  82           HB2      LEU  82  -1.124  -9.509  -0.988
  612    HB3  LEU  82           HB1      LEU  82   0.265  -9.615  -2.088
  613    HG   LEU  82           HG       LEU  82  -1.837  -9.225  -3.253
  614   HD11  LEU  82          HD11      LEU  82  -1.031 -10.308  -5.012
  615   HD12  LEU  82          HD12      LEU  82  -1.391 -11.871  -4.278
  616   HD13  LEU  82          HD13      LEU  82   0.125 -11.049  -3.903
  617   HD21  LEU  82          HD21      LEU  82  -3.339 -10.450  -1.738
  618   HD22  LEU  82          HD22      LEU  82  -2.701 -11.953  -2.406
  619   HD23  LEU  82          HD23      LEU  82  -3.581 -10.831  -3.445
  620    H    ASN  83           HN       ASN  83   0.040 -10.918   1.309
  621    HA   ASN  83           HA       ASN  83   1.783 -10.411   2.721
  622    HB2  ASN  83           HB2      ASN  83   1.692 -12.920   2.577
  623    HB3  ASN  83           HB1      ASN  83   2.982 -12.844   1.375
  624   HD21  ASN  83          HD21      ASN  83   3.486 -10.389   3.547
  625   HD22  ASN  83          HD22      ASN  83   4.601 -11.197   4.611
  626    H    ILE  84           HN       ILE  84   2.254  -8.466   1.415
  627    HA   ILE  84           HA       ILE  84   4.212  -8.508  -0.603
  628    HB   ILE  84           HB       ILE  84   3.239  -6.154   0.990
  629   HG12  ILE  84          HG12      ILE  84   1.390  -7.373  -0.081
  630   HG13  ILE  84          HG11      ILE  84   1.663  -5.801  -0.873
  631   HG21  ILE  84          HG21      ILE  84   4.372  -6.144  -1.791
  632   HG22  ILE  84          HG22      ILE  84   5.364  -5.884  -0.354
  633   HG23  ILE  84          HG23      ILE  84   4.055  -4.767  -0.735
  634   HD11  ILE  84          HD11      ILE  84   1.346  -7.258  -2.643
  635   HD12  ILE  84          HD12      ILE  84   2.260  -8.557  -1.876
  636   HD13  ILE  84          HD13      ILE  84   3.103  -7.151  -2.527
  637    H    LYS  85           HN       LYS  85   6.201  -9.266  -0.045
  638    HA   LYS  85           HA       LYS  85   7.528  -8.051   2.277
  639    HB2  LYS  85           HB2      LYS  85   8.376 -10.453   0.641
  640    HB3  LYS  85           HB1      LYS  85   9.113  -9.892   2.141
  641    HG2  LYS  85           HG2      LYS  85   7.113 -10.432   3.379
  642    HG3  LYS  85           HG1      LYS  85   6.281 -10.886   1.890
  643    HD2  LYS  85           HD2      LYS  85   7.087 -12.848   3.137
  644    HD3  LYS  85           HD1      LYS  85   7.830 -12.719   1.541
  645    HE2  LYS  85           HE2      LYS  85   9.840 -11.767   2.539
  646    HE3  LYS  85           HE1      LYS  85   9.090 -11.827   4.135
  647    HZ1  LYS  85           HZ1      LYS  85   9.063 -14.198   4.059
  648    HZ2  LYS  85           HZ2      LYS  85  10.637 -13.685   3.684
  649    HZ3  LYS  85           HZ3      LYS  85   9.601 -14.219   2.447
  650    H    GLY  86           HN       GLY  86   9.876  -7.612   2.015
  651    HA2  GLY  86           HA2      GLY  86  10.468  -5.734   0.019
  652    HA3  GLY  86           HA1      GLY  86  11.644  -6.554   1.054
  653    HA   PRO  87           HA       PRO  87  12.807  -5.356  -0.190
  654    HB2  PRO  87           HB2      PRO  87  14.727  -4.827  -1.900
  655    HB3  PRO  87           HB1      PRO  87  14.791  -6.261  -0.882
  656    HG2  PRO  87           HG2      PRO  87  14.127  -6.014  -3.778
  657    HG3  PRO  87           HG1      PRO  87  15.048  -7.280  -2.946
  658    HD2  PRO  87           HD2      PRO  87  12.269  -7.350  -3.610
  659    HD3  PRO  87           HD1      PRO  87  13.171  -8.507  -2.576
  660    H    TYR  88           HN       TYR  88  13.383  -3.108  -1.114
  661    HA   TYR  88           HA       TYR  88  12.270  -1.137  -1.674
  662    HB2  TYR  88           HB2      TYR  88  12.974  -2.407  -4.337
  663    HB3  TYR  88           HB1      TYR  88  12.600  -0.670  -4.090
  664    HD1  TYR  88           HD1      TYR  88  14.554   0.493  -4.478
  665    HD2  TYR  88           HD2      TYR  88  14.735  -3.036  -2.147
  666    HE1  TYR  88           HE1      TYR  88  16.935   0.922  -4.028
  667    HE2  TYR  88           HE2      TYR  88  17.113  -2.633  -1.679
  668    HH   TYR  88           HH       TYR  88  18.791   0.184  -3.042
  669    H    ILE  89           HN       ILE  89  10.118  -1.254  -1.085
  670    HA   ILE  89           HA       ILE  89   8.276  -2.229  -3.160
  671    HB   ILE  89           HB       ILE  89   7.802  -1.900  -0.190
  672   HG12  ILE  89          HG12      ILE  89   8.075  -4.343  -1.980
  673   HG13  ILE  89          HG11      ILE  89   9.334  -3.812  -0.834
  674   HG21  ILE  89          HG21      ILE  89   5.848  -3.524  -1.260
  675   HG22  ILE  89          HG22      ILE  89   6.015  -2.239  -2.455
  676   HG23  ILE  89          HG23      ILE  89   5.654  -1.839  -0.776
  677   HD11  ILE  89          HD11      ILE  89   6.550  -4.498   0.057
  678   HD12  ILE  89          HD12      ILE  89   8.033  -4.412   1.008
  679   HD13  ILE  89          HD13      ILE  89   7.802  -5.723  -0.152
  680    H    GLU  90           HN       GLU  90   7.296  -0.842  -4.290
  681    HA   GLU  90           HA       GLU  90   6.816   1.860  -3.222
  682    HB2  GLU  90           HB2      GLU  90   8.177   1.807  -5.271
  683    HB3  GLU  90           HB1      GLU  90   6.880   0.925  -6.107
  684    HG2  GLU  90           HG2      GLU  90   6.849   3.264  -6.718
  685    HG3  GLU  90           HG1      GLU  90   5.397   2.852  -5.804
  686    H    ILE  91           HN       ILE  91   4.920   1.431  -2.139
  687    HA   ILE  91           HA       ILE  91   2.650   0.360  -3.639
  688    HB   ILE  91           HB       ILE  91   2.548   1.221  -0.759
  689   HG12  ILE  91          HG12      ILE  91   3.608  -1.426  -1.754
  690   HG13  ILE  91          HG11      ILE  91   4.566  -0.176  -0.969
  691   HG21  ILE  91          HG21      ILE  91   0.824  -0.189  -2.536
  692   HG22  ILE  91          HG22      ILE  91   0.547   0.235  -0.839
  693   HG23  ILE  91          HG23      ILE  91   1.327  -1.285  -1.253
  694   HD11  ILE  91          HD11      ILE  91   2.211  -1.064   0.538
  695   HD12  ILE  91          HD12      ILE  91   3.864  -0.761   1.081
  696   HD13  ILE  91          HD13      ILE  91   3.460  -2.288   0.298
  697    H    LYS  92           HN       LYS  92   1.629   1.954  -4.841
  698    HA   LYS  92           HA       LYS  92   0.619   4.290  -3.547
  699    HB2  LYS  92           HB2      LYS  92   1.871   5.980  -4.465
  700    HB3  LYS  92           HB1      LYS  92   3.126   4.741  -4.365
  701    HG2  LYS  92           HG2      LYS  92   1.511   5.422  -6.823
  702    HG3  LYS  92           HG1      LYS  92   3.151   5.964  -6.490
  703    HD2  LYS  92           HD2      LYS  92   3.969   3.681  -6.646
  704    HD3  LYS  92           HD1      LYS  92   2.314   3.084  -6.809
  705    HE2  LYS  92           HE2      LYS  92   2.078   3.905  -8.968
  706    HE3  LYS  92           HE1      LYS  92   3.304   5.142  -8.716
  707    HZ1  LYS  92           HZ1      LYS  92   4.063   2.308  -8.795
  708    HZ2  LYS  92           HZ2      LYS  92   5.032   3.669  -9.063
  709    HZ3  LYS  92           HZ3      LYS  92   3.881   3.203 -10.222
  710    H    GLN  93           HN       GLN  93  -0.616   5.686  -5.253
  711    HA   GLN  93           HA       GLN  93  -1.997   3.802  -6.941
  712    HB2  GLN  93           HB2      GLN  93  -3.499   5.594  -7.561
  713    HB3  GLN  93           HB1      GLN  93  -3.379   5.416  -5.806
  714    HG2  GLN  93           HG2      GLN  93  -1.811   7.278  -5.749
  715    HG3  GLN  93           HG1      GLN  93  -2.006   7.498  -7.485
  716   HE21  GLN  93          HE21      GLN  93  -2.927   8.728  -4.638
  717   HE22  GLN  93          HE22      GLN  93  -4.485   9.353  -5.057
  718    H    ILE  94           HN       ILE  94  -2.481   4.337  -9.154
  719    HA   ILE  94           HA       ILE  94  -0.060   5.311 -10.509
  720    HB   ILE  94           HB       ILE  94  -0.568   3.440 -12.100
  721   HG12  ILE  94          HG12      ILE  94  -2.327   2.653  -9.775
  722   HG13  ILE  94          HG11      ILE  94  -2.865   3.099 -11.389
  723   HG21  ILE  94          HG21      ILE  94   1.189   2.614 -11.000
  724   HG22  ILE  94          HG22      ILE  94   0.047   1.788  -9.936
  725   HG23  ILE  94          HG23      ILE  94   0.667   3.381  -9.498
  726   HD11  ILE  94          HD11      ILE  94  -1.003   0.930 -11.503
  727   HD12  ILE  94          HD12      ILE  94  -2.668   1.017 -12.083
  728   HD13  ILE  94          HD13      ILE  94  -2.336   0.570 -10.408
  Start of MODEL    2
    1    H    ASP   1           HT1      ASP   1  27.112   9.049   1.704
    2    HA   ASP   1           HA       ASP   1  26.046  10.909  -0.198
    3    HB2  ASP   1           HB2      ASP   1  26.612   7.929  -0.215
    4    HB3  ASP   1           HB1      ASP   1  26.218   8.882  -1.643
    5    H    ASN   2           HN       ASN   2  24.431   9.110  -1.669
    6    HA   ASN   2           HA       ASN   2  22.108   8.766   0.117
    7    HB2  ASN   2           HB2      ASN   2  22.086   9.674  -2.772
    8    HB3  ASN   2           HB1      ASN   2  20.648   9.258  -1.844
    9   HD21  ASN   2          HD21      ASN   2  22.443  11.751  -2.911
   10   HD22  ASN   2          HD22      ASN   2  22.048  12.942  -1.722
   11    H    GLN   3           HN       GLN   3  24.201   6.909  -0.586
   12    HA   GLN   3           HA       GLN   3  22.980   5.038  -2.446
   13    HB2  GLN   3           HB2      GLN   3  25.561   4.887  -0.877
   14    HB3  GLN   3           HB1      GLN   3  25.030   3.698  -2.059
   15    HG2  GLN   3           HG2      GLN   3  25.628   6.596  -2.630
   16    HG3  GLN   3           HG1      GLN   3  26.687   5.231  -2.987
   17   HE21  GLN   3          HE21      GLN   3  24.599   7.312  -4.341
   18   HE22  GLN   3          HE22      GLN   3  24.032   6.357  -5.668
   19    H    LYS   4           HN       LYS   4  22.078   5.746   0.455
   20    HA   LYS   4           HA       LYS   4  22.035   3.027   1.546
   21    HB2  LYS   4           HB2      LYS   4  22.644   4.869   3.080
   22    HB3  LYS   4           HB1      LYS   4  21.090   5.632   2.774
   23    HG2  LYS   4           HG2      LYS   4  19.955   3.691   3.756
   24    HG3  LYS   4           HG1      LYS   4  21.523   2.951   4.081
   25    HD2  LYS   4           HD2      LYS   4  20.553   5.580   5.200
   26    HD3  LYS   4           HD1      LYS   4  20.584   4.046   6.070
   27    HE2  LYS   4           HE2      LYS   4  22.986   5.495   4.954
   28    HE3  LYS   4           HE1      LYS   4  22.498   5.468   6.648
   29    HZ1  LYS   4           HZ1      LYS   4  23.047   2.953   5.187
   30    HZ2  LYS   4           HZ2      LYS   4  23.066   3.243   6.859
   31    HZ3  LYS   4           HZ3      LYS   4  24.308   3.859   5.878
   32    H    ALA   5           HN       ALA   5  20.167   5.309  -0.166
   33    HA   ALA   5           HA       ALA   5  18.033   5.406  -0.915
   34    HB1  ALA   5           HB1      ALA   5  17.262   2.644  -0.562
   35    HB2  ALA   5           HB2      ALA   5  18.872   2.775  -1.272
   36    HB3  ALA   5           HB3      ALA   5  17.500   3.566  -2.047
   37    H    LEU   6           HN       LEU   6  17.758   6.529   1.220
   38    HA   LEU   6           HA       LEU   6  16.172   5.006   3.133
   39    HB2  LEU   6           HB2      LEU   6  16.411   6.924   4.625
   40    HB3  LEU   6           HB1      LEU   6  17.963   6.330   4.081
   41    HG   LEU   6           HG       LEU   6  16.607   8.775   2.925
   42   HD11  LEU   6          HD11      LEU   6  17.353   8.749   5.432
   43   HD12  LEU   6          HD12      LEU   6  17.747  10.118   4.393
   44   HD13  LEU   6          HD13      LEU   6  18.968   8.892   4.737
   45   HD21  LEU   6          HD21      LEU   6  19.139   7.350   2.397
   46   HD22  LEU   6          HD22      LEU   6  19.242   9.106   2.504
   47   HD23  LEU   6          HD23      LEU   6  18.160   8.357   1.330
   48    H    GLU   7           HN       GLU   7  15.441   6.399   0.394
   49    HA   GLU   7           HA       GLU   7  13.485   8.323   0.855
   50    HB2  GLU   7           HB2      GLU   7  13.563   6.229  -1.321
   51    HB3  GLU   7           HB1      GLU   7  12.568   7.677  -1.339
   52    HG2  GLU   7           HG2      GLU   7  14.579   9.061  -1.363
   53    HG3  GLU   7           HG1      GLU   7  15.579   7.606  -1.346
   54    H    GLU   8           HN       GLU   8  13.052   4.793   0.444
   55    HA   GLU   8           HA       GLU   8  10.276   5.048   1.023
   56    HB2  GLU   8           HB2      GLU   8  10.219   2.570   0.809
   57    HB3  GLU   8           HB1      GLU   8  10.874   3.399  -0.590
   58    HG2  GLU   8           HG2      GLU   8  12.613   2.160   1.517
   59    HG3  GLU   8           HG1      GLU   8  12.007   1.258   0.137
   60    H    GLN   9           HN       GLN   9  12.932   4.981   2.976
   61    HA   GLN   9           HA       GLN   9  11.557   3.597   5.162
   62    HB2  GLN   9           HB2      GLN   9  14.329   4.802   5.164
   63    HB3  GLN   9           HB1      GLN   9  13.652   3.697   6.353
   64    HG2  GLN   9           HG2      GLN   9  14.337   3.080   3.492
   65    HG3  GLN   9           HG1      GLN   9  15.159   2.498   4.939
   66   HE21  GLN   9          HE21      GLN   9  12.937   1.786   2.617
   67   HE22  GLN   9          HE22      GLN   9  12.119   0.475   3.403
   68    H    MET  10           HN       MET  10  11.519   6.601   3.870
   69    HA   MET  10           HA       MET  10  11.597   7.943   6.485
   70    HB2  MET  10           HB2      MET  10  13.123   8.808   4.751
   71    HB3  MET  10           HB1      MET  10  11.738   9.177   3.730
   72    HG2  MET  10           HG2      MET  10  12.568  11.158   4.883
   73    HG3  MET  10           HG1      MET  10  10.918  10.762   5.372
   74    HE1  MET  10           HE1      MET  10  11.112  12.244   7.793
   75    HE2  MET  10           HE2      MET  10  12.509  12.766   6.850
   76    HE3  MET  10           HE3      MET  10  12.707  12.312   8.543
   77    H    ASN  11           HN       ASN  11   9.877   8.744   3.491
   78    HA   ASN  11           HA       ASN  11   7.467   9.302   5.080
   79    HB2  ASN  11           HB2      ASN  11   8.330  10.107   2.313
   80    HB3  ASN  11           HB1      ASN  11   6.649  10.238   2.829
   81   HD21  ASN  11          HD21      ASN  11   6.155  12.210   3.473
   82   HD22  ASN  11          HD22      ASN  11   7.210  13.336   4.252
   83    H    SER  12           HN       SER  12   8.568   7.782   2.186
   84    HA   SER  12           HA       SER  12   6.670   6.896   0.796
   85    HB2  SER  12           HB2      SER  12   8.928   6.088   0.526
   86    HB3  SER  12           HB1      SER  12   8.775   5.083   1.986
   87    HG   SER  12           HG       SER  12   8.212   4.432  -0.540
   88    H    ILE  13           HN       ILE  13   7.513   4.700   3.421
   89    HA   ILE  13           HA       ILE  13   5.109   3.207   3.152
   90    HB   ILE  13           HB       ILE  13   7.350   3.101   5.165
   91   HG12  ILE  13          HG12      ILE  13   6.840   1.575   2.618
   92   HG13  ILE  13          HG11      ILE  13   8.054   2.849   2.891
   93   HG21  ILE  13          HG21      ILE  13   4.945   1.854   5.489
   94   HG22  ILE  13          HG22      ILE  13   6.474   1.239   6.118
   95   HG23  ILE  13          HG23      ILE  13   5.846   0.637   4.584
   96   HD11  ILE  13          HD11      ILE  13   8.072   0.399   4.599
   97   HD12  ILE  13          HD12      ILE  13   9.404   1.457   4.130
   98   HD13  ILE  13          HD13      ILE  13   8.723   0.325   2.962
   99    H    ASN  14           HN       ASN  14   5.829   5.980   4.803
  100    HA   ASN  14           HA       ASN  14   3.810   5.514   6.890
  101    HB2  ASN  14           HB2      ASN  14   5.663   7.862   6.456
  102    HB3  ASN  14           HB1      ASN  14   4.440   7.779   7.719
  103   HD21  ASN  14          HD21      ASN  14   5.204   7.228   9.604
  104   HD22  ASN  14          HD22      ASN  14   6.552   6.191   9.907
  105    H    SER  15           HN       SER  15   4.505   8.055   4.460
  106    HA   SER  15           HA       SER  15   1.938   9.184   4.650
  107    HB2  SER  15           HB2      SER  15   3.892   9.438   2.360
  108    HB3  SER  15           HB1      SER  15   2.502  10.488   2.689
  109    HG   SER  15           HG       SER  15   3.530  11.381   4.358
  110    H    VAL  16           HN       VAL  16   3.068   6.387   3.012
  111    HA   VAL  16           HA       VAL  16   1.283   6.184   0.852
  112    HB   VAL  16           HB       VAL  16   3.103   4.546   1.231
  113   HG11  VAL  16          HG11      VAL  16   1.600   4.051   3.708
  114   HG12  VAL  16          HG12      VAL  16   3.330   3.953   3.382
  115   HG13  VAL  16          HG13      VAL  16   2.263   2.638   2.890
  116   HG21  VAL  16          HG21      VAL  16   0.719   2.802   1.371
  117   HG22  VAL  16          HG22      VAL  16   2.028   2.853   0.184
  118   HG23  VAL  16          HG23      VAL  16   0.720   4.038   0.110
  119    H    ASN  17           HN       ASN  17   0.896   5.890   4.218
  120    HA   ASN  17           HA       ASN  17  -1.719   4.662   4.117
  121    HB2  ASN  17           HB2      ASN  17  -0.166   5.872   6.416
  122    HB3  ASN  17           HB1      ASN  17  -1.731   5.079   6.584
  123   HD21  ASN  17          HD21      ASN  17  -0.337   3.461   4.168
  124   HD22  ASN  17          HD22      ASN  17   0.473   2.211   5.040
  125    H    ASP  18           HN       ASP  18  -0.341   7.832   4.387
  126    HA   ASP  18           HA       ASP  18  -2.640   9.283   5.127
  127    HB2  ASP  18           HB2      ASP  18  -0.247  10.060   3.448
  128    HB3  ASP  18           HB1      ASP  18  -1.452  11.211   3.987
  129    H    LYS  19           HN       LYS  19  -2.025   7.609   2.152
  130    HA   LYS  19           HA       LYS  19  -3.948   9.309   0.717
  131    HB2  LYS  19           HB2      LYS  19  -2.674   6.763  -0.311
  132    HB3  LYS  19           HB1      LYS  19  -3.623   7.923  -1.241
  133    HG2  LYS  19           HG2      LYS  19  -1.455   8.413  -1.848
  134    HG3  LYS  19           HG1      LYS  19  -1.774   9.607  -0.566
  135    HD2  LYS  19           HD2      LYS  19  -0.759   8.090   1.067
  136    HD3  LYS  19           HD1      LYS  19  -0.421   6.958  -0.242
  137    HE2  LYS  19           HE2      LYS  19   0.662   9.741   0.035
  138    HE3  LYS  19           HE1      LYS  19   1.536   8.246   0.411
  139    HZ1  LYS  19           HZ1      LYS  19   0.490   9.000  -2.286
  140    HZ2  LYS  19           HZ2      LYS  19   1.396   7.611  -1.915
  141    HZ3  LYS  19           HZ3      LYS  19   2.106   9.150  -1.790
  142    H    LEU  20           HN       LEU  20  -3.393   6.021   1.624
  143    HA   LEU  20           HA       LEU  20  -5.781   4.824   0.973
  144    HB2  LEU  20           HB2      LEU  20  -3.963   4.314   3.321
  145    HB3  LEU  20           HB1      LEU  20  -5.072   3.146   2.608
  146    HG   LEU  20           HG       LEU  20  -2.721   4.363   1.145
  147   HD11  LEU  20          HD11      LEU  20  -2.529   2.568   3.181
  148   HD12  LEU  20          HD12      LEU  20  -1.382   2.723   1.848
  149   HD13  LEU  20          HD13      LEU  20  -2.663   1.512   1.774
  150   HD21  LEU  20          HD21      LEU  20  -4.541   2.063   0.446
  151   HD22  LEU  20          HD22      LEU  20  -3.141   2.595  -0.485
  152   HD23  LEU  20          HD23      LEU  20  -4.542   3.654  -0.315
  153    H    ASN  21           HN       ASN  21  -4.780   6.544   3.842
  154    HA   ASN  21           HA       ASN  21  -7.211   6.117   5.277
  155    HB2  ASN  21           HB2      ASN  21  -4.720   7.724   5.747
  156    HB3  ASN  21           HB1      ASN  21  -6.126   7.963   6.784
  157   HD21  ASN  21          HD21      ASN  21  -3.277   6.451   6.611
  158   HD22  ASN  21          HD22      ASN  21  -3.598   5.058   7.611
  159    H    LYS  22           HN       LYS  22  -8.974   7.038   4.138
  160    HA   LYS  22           HA       LYS  22  -8.668   9.955   3.744
  161    HB2  LYS  22           HB2      LYS  22  -9.913   7.967   1.890
  162    HB3  LYS  22           HB1      LYS  22 -10.434   9.657   1.869
  163    HG2  LYS  22           HG2      LYS  22  -8.088  10.336   1.467
  164    HG3  LYS  22           HG1      LYS  22  -7.630   8.629   1.398
  165    HD2  LYS  22           HD2      LYS  22  -8.937   8.269  -0.545
  166    HD3  LYS  22           HD1      LYS  22  -9.747   9.827  -0.386
  167    HE2  LYS  22           HE2      LYS  22  -8.119   9.913  -2.171
  168    HE3  LYS  22           HE1      LYS  22  -7.610  10.955  -0.845
  169    HZ1  LYS  22           HZ1      LYS  22  -5.681   9.908  -0.980
  170    HZ2  LYS  22           HZ2      LYS  22  -6.304   8.684  -1.984
  171    HZ3  LYS  22           HZ3      LYS  22  -6.443   8.553  -0.294
  172    H    GLY  23           HN       GLY  23 -11.118   7.463   4.482
  173    HA2  GLY  23           HA2      GLY  23 -12.376   8.968   6.406
  174    HA3  GLY  23           HA1      GLY  23 -13.153   9.360   4.864
  175    H    LYS  24           HN       LYS  24 -14.279   7.726   3.736
  176    HA   LYS  24           HA       LYS  24 -15.992   6.106   5.143
  177    HB2  LYS  24           HB2      LYS  24 -16.094   6.653   2.682
  178    HB3  LYS  24           HB1      LYS  24 -14.855   5.411   2.420
  179    HG2  LYS  24           HG2      LYS  24 -16.989   4.494   1.883
  180    HG3  LYS  24           HG1      LYS  24 -16.407   3.733   3.374
  181    HD2  LYS  24           HD2      LYS  24 -17.886   5.034   4.704
  182    HD3  LYS  24           HD1      LYS  24 -18.291   6.091   3.349
  183    HE2  LYS  24           HE2      LYS  24 -19.387   4.251   2.208
  184    HE3  LYS  24           HE1      LYS  24 -18.940   3.148   3.514
  185    HZ1  LYS  24           HZ1      LYS  24 -21.046   3.683   4.137
  186    HZ2  LYS  24           HZ2      LYS  24 -20.993   5.237   3.453
  187    HZ3  LYS  24           HZ3      LYS  24 -20.220   4.935   4.935
  188    H    GLY  25           HN       GLY  25 -13.029   5.150   3.517
  189    HA2  GLY  25           HA2      GLY  25 -12.532   3.130   5.526
  190    HA3  GLY  25           HA1      GLY  25 -12.625   2.585   3.882
  191    H    LYS  26           HN       LYS  26 -10.443   2.488   5.699
  192    HA   LYS  26           HA       LYS  26  -8.484   4.092   4.187
  193    HB2  LYS  26           HB2      LYS  26  -7.541   4.474   6.568
  194    HB3  LYS  26           HB1      LYS  26  -8.896   5.455   5.988
  195    HG2  LYS  26           HG2      LYS  26 -10.369   3.697   6.952
  196    HG3  LYS  26           HG1      LYS  26  -8.944   3.061   7.782
  197    HD2  LYS  26           HD2      LYS  26 -10.172   4.523   9.289
  198    HD3  LYS  26           HD1      LYS  26  -8.631   5.272   8.863
  199    HE2  LYS  26           HE2      LYS  26 -11.123   5.902   7.325
  200    HE3  LYS  26           HE1      LYS  26 -10.789   6.714   8.863
  201    HZ1  LYS  26           HZ1      LYS  26  -9.929   8.113   7.230
  202    HZ2  LYS  26           HZ2      LYS  26  -9.245   6.839   6.345
  203    HZ3  LYS  26           HZ3      LYS  26  -8.562   7.300   7.828
  204    H    LEU  27           HN       LEU  27  -6.247   3.452   4.542
  205    HA   LEU  27           HA       LEU  27  -5.935   0.695   5.472
  206    HB2  LEU  27           HB2      LEU  27  -6.252   0.491   3.178
  207    HB3  LEU  27           HB1      LEU  27  -5.135   1.822   2.815
  208    HG   LEU  27           HG       LEU  27  -3.262   0.446   3.595
  209   HD11  LEU  27          HD11      LEU  27  -4.358  -2.149   3.531
  210   HD12  LEU  27          HD12      LEU  27  -5.370  -1.208   4.625
  211   HD13  LEU  27          HD13      LEU  27  -3.632  -1.318   4.906
  212   HD21  LEU  27          HD21      LEU  27  -4.661   0.212   1.219
  213   HD22  LEU  27          HD22      LEU  27  -4.377  -1.458   1.708
  214   HD23  LEU  27          HD23      LEU  27  -3.018  -0.350   1.527
  215    H    SER  28           HN       SER  28  -4.015   0.154   6.317
  216    HA   SER  28           HA       SER  28  -1.917   2.204   6.613
  217    HB2  SER  28           HB2      SER  28  -2.878   0.186   8.663
  218    HB3  SER  28           HB1      SER  28  -1.603   1.382   8.916
  219    HG   SER  28           HG       SER  28  -4.200   1.675   9.324
  220    H    LEU  29           HN       LEU  29   0.243   1.310   6.765
  221    HA   LEU  29           HA       LEU  29   0.426  -1.571   6.353
  222    HB2  LEU  29           HB2      LEU  29   2.037   0.305   4.637
  223    HB3  LEU  29           HB1      LEU  29   1.876  -1.467   4.530
  224    HG   LEU  29           HG       LEU  29  -0.478   0.347   4.076
  225   HD11  LEU  29          HD11      LEU  29   1.840  -0.173   2.332
  226   HD12  LEU  29          HD12      LEU  29   0.648   1.125   2.273
  227   HD13  LEU  29          HD13      LEU  29   0.267  -0.453   1.587
  228   HD21  LEU  29          HD21      LEU  29  -1.134  -1.883   4.400
  229   HD22  LEU  29          HD22      LEU  29   0.215  -2.506   3.449
  230   HD23  LEU  29          HD23      LEU  29  -1.109  -1.658   2.650
  231    H    SER  30           HN       SER  30   2.527  -2.431   6.778
  232    HA   SER  30           HA       SER  30   4.629  -0.773   7.788
  233    HB2  SER  30           HB2      SER  30   3.182  -2.613   9.719
  234    HB3  SER  30           HB1      SER  30   4.705  -1.788  10.049
  235    HG   SER  30           HG       SER  30   2.828  -0.038   9.180
  236    H    MET  31           HN       MET  31   6.199  -2.534   9.030
  237    HA   MET  31           HA       MET  31   6.142  -5.101   7.680
  238    HB2  MET  31           HB2      MET  31   8.519  -4.892   6.929
  239    HB3  MET  31           HB1      MET  31   7.379  -3.863   6.037
  240    HG2  MET  31           HG2      MET  31   9.333  -2.584   6.401
  241    HG3  MET  31           HG1      MET  31   8.107  -1.960   7.501
  242    HE1  MET  31           HE1      MET  31  11.568  -4.702   8.829
  243    HE2  MET  31           HE2      MET  31  11.457  -4.038   7.200
  244    HE3  MET  31           HE3      MET  31  10.256  -5.200   7.761
  245    H    ASN  32           HN       ASN  32   7.895  -6.519   8.554
  246    HA   ASN  32           HA       ASN  32   8.866  -5.757  11.197
  247    HB2  ASN  32           HB2      ASN  32   6.545  -6.592  11.561
  248    HB3  ASN  32           HB1      ASN  32   7.006  -8.122  10.794
  249   HD21  ASN  32          HD21      ASN  32   7.340  -9.657  12.207
  250   HD22  ASN  32          HD22      ASN  32   8.049  -9.469  13.784
  251    H    GLY  33           HN       GLY  33  10.925  -6.046  10.302
  252    HA2  GLY  33           HA2      GLY  33  12.850  -7.295   9.862
  253    HA3  GLY  33           HA1      GLY  33  11.913  -8.765  10.223
  254    H    ASN  34           HN       ASN  34  11.070  -9.933   8.580
  255    HA   ASN  34           HA       ASN  34  11.324  -8.820   5.858
  256    HB2  ASN  34           HB2      ASN  34  11.602 -11.692   6.770
  257    HB3  ASN  34           HB1      ASN  34  11.433 -11.222   5.084
  258   HD21  ASN  34          HD21      ASN  34  13.090  -8.753   6.336
  259   HD22  ASN  34          HD22      ASN  34  14.719  -9.317   6.096
  260    H    GLN  35           HN       GLN  35   9.113  -8.528   7.720
  261    HA   GLN  35           HA       GLN  35   7.064 -10.226   6.473
  262    HB2  GLN  35           HB2      GLN  35   7.335 -10.325   8.959
  263    HB3  GLN  35           HB1      GLN  35   6.887  -8.623   9.025
  264    HG2  GLN  35           HG2      GLN  35   4.691  -9.106   8.201
  265    HG3  GLN  35           HG1      GLN  35   5.117 -10.798   7.940
  266   HE21  GLN  35          HE21      GLN  35   4.221 -12.047   9.388
  267   HE22  GLN  35          HE22      GLN  35   4.037 -11.686  11.081
  268    H    LEU  36           HN       LEU  36   4.967  -9.265   6.080
  269    HA   LEU  36           HA       LEU  36   5.082  -6.402   5.435
  270    HB2  LEU  36           HB2      LEU  36   5.350  -7.590   3.439
  271    HB3  LEU  36           HB1      LEU  36   4.057  -8.730   3.820
  272    HG   LEU  36           HG       LEU  36   3.558  -7.129   1.962
  273   HD11  LEU  36          HD11      LEU  36   1.528  -7.809   2.598
  274   HD12  LEU  36          HD12      LEU  36   1.387  -6.225   3.359
  275   HD13  LEU  36          HD13      LEU  36   1.888  -7.620   4.313
  276   HD21  LEU  36          HD21      LEU  36   4.541  -5.103   2.558
  277   HD22  LEU  36          HD22      LEU  36   3.841  -5.118   4.178
  278   HD23  LEU  36          HD23      LEU  36   2.815  -4.812   2.777
  279    H    LYS  37           HN       LYS  37   3.420  -5.210   6.071
  280    HA   LYS  37           HA       LYS  37   1.221  -6.587   7.478
  281    HB2  LYS  37           HB2      LYS  37   2.774  -4.139   8.356
  282    HB3  LYS  37           HB1      LYS  37   1.530  -4.989   9.292
  283    HG2  LYS  37           HG2      LYS  37   4.155  -6.205   8.412
  284    HG3  LYS  37           HG1      LYS  37   3.881  -5.462  10.000
  285    HD2  LYS  37           HD2      LYS  37   2.410  -7.852   8.881
  286    HD3  LYS  37           HD1      LYS  37   3.702  -7.913  10.074
  287    HE2  LYS  37           HE2      LYS  37   0.985  -6.638  10.428
  288    HE3  LYS  37           HE1      LYS  37   1.551  -8.133  11.160
  289    HZ1  LYS  37           HZ1      LYS  37   1.623  -6.063  12.590
  290    HZ2  LYS  37           HZ2      LYS  37   2.934  -5.553  11.637
  291    HZ3  LYS  37           HZ3      LYS  37   3.043  -6.995  12.530
  292    H    ALA  38           HN       ALA  38  -0.731  -5.902   6.844
  293    HA   ALA  38           HA       ALA  38  -1.117  -3.086   6.137
  294    HB1  ALA  38           HB1      ALA  38  -2.993  -4.822   4.774
  295    HB2  ALA  38           HB2      ALA  38  -1.327  -5.174   4.306
  296    HB3  ALA  38           HB3      ALA  38  -1.969  -3.541   4.124
  297    H    THR  39           HN       THR  39  -3.089  -2.233   6.695
  298    HA   THR  39           HA       THR  39  -5.020  -3.827   8.157
  299    HB   THR  39           HB       THR  39  -4.851  -1.954  10.010
  300    HG1  THR  39           HG1      THR  39  -2.452  -1.761   8.628
  301   HG21  THR  39          HG21      THR  39  -4.246  -3.654  11.277
  302   HG22  THR  39          HG22      THR  39  -2.599  -3.547  10.654
  303   HG23  THR  39          HG23      THR  39  -3.786  -4.567   9.839
  304    H    SER  40           HN       SER  40  -7.056  -2.993   8.005
  305    HA   SER  40           HA       SER  40  -7.362  -0.313   6.747
  306    HB2  SER  40           HB2      SER  40  -9.638  -1.102   6.154
  307    HB3  SER  40           HB1      SER  40  -8.353  -2.023   5.371
  308    HG   SER  40           HG       SER  40  -8.649  -3.610   7.081
  309    H    SER  41           HN       SER  41  -8.373   1.168   7.905
  310    HA   SER  41           HA       SER  41  -9.398   0.294  10.514
  311    HB2  SER  41           HB2      SER  41  -8.985   3.127   9.502
  312    HB3  SER  41           HB1      SER  41  -9.455   2.669  11.137
  313    HG   SER  41           HG       SER  41  -7.253   3.066  11.098
  314    H    ASN  42           HN       ASN  42 -11.469   1.340  11.167
  315    HA   ASN  42           HA       ASN  42 -13.692   1.415  10.988
  316    HB2  ASN  42           HB2      ASN  42 -14.818   2.552   9.182
  317    HB3  ASN  42           HB1      ASN  42 -13.313   3.434   9.608
  318   HD21  ASN  42          HD21      ASN  42 -12.332   4.218   8.072
  319   HD22  ASN  42          HD22      ASN  42 -12.228   3.592   6.452
  320    H    ALA  43           HN       ALA  43 -11.894  -0.744   9.801
  321    HA   ALA  43           HA       ALA  43 -12.109  -2.894   9.144
  322    HB1  ALA  43           HB1      ALA  43 -14.826  -2.575  10.370
  323    HB2  ALA  43           HB2      ALA  43 -13.320  -2.697  11.281
  324    HB3  ALA  43           HB3      ALA  43 -13.852  -4.042  10.270
  325    H    GLY  44           HN       GLY  44 -12.351  -1.867   6.761
  326    HA2  GLY  44           HA2      GLY  44 -12.881  -3.146   4.890
  327    HA3  GLY  44           HA1      GLY  44 -14.348  -3.717   5.734
  328    H    TYR  45           HN       TYR  45 -13.427  -0.324   5.119
  329    HA   TYR  45           HA       TYR  45 -15.604  -0.264   3.158
  330    HB2  TYR  45           HB2      TYR  45 -14.850   1.874   5.166
  331    HB3  TYR  45           HB1      TYR  45 -15.881   2.181   3.756
  332    HD1  TYR  45           HD1      TYR  45 -18.147   2.384   4.434
  333    HD2  TYR  45           HD2      TYR  45 -15.707  -0.547   6.335
  334    HE1  TYR  45           HE1      TYR  45 -20.074   1.626   5.736
  335    HE2  TYR  45           HE2      TYR  45 -17.640  -1.308   7.638
  336    HH   TYR  45           HH       TYR  45 -19.998   0.028   8.394
  337    H    GLY  46           HN       GLY  46 -15.285   1.327   1.417
  338    HA2  GLY  46           HA2      GLY  46 -12.441   1.459   0.696
  339    HA3  GLY  46           HA1      GLY  46 -13.806   1.728  -0.397
  340    H    ILE  47           HN       ILE  47 -12.126   3.636  -0.803
  341    HA   ILE  47           HA       ILE  47 -11.657   5.741   0.887
  342    HB   ILE  47           HB       ILE  47 -12.610   6.043  -1.945
  343   HG12  ILE  47          HG12      ILE  47 -10.826   4.458  -1.962
  344   HG13  ILE  47          HG11      ILE  47 -10.205   6.004  -2.541
  345   HG21  ILE  47          HG21      ILE  47 -11.195   7.846  -0.046
  346   HG22  ILE  47          HG22      ILE  47 -12.515   8.198  -1.162
  347   HG23  ILE  47          HG23      ILE  47 -10.873   7.991  -1.773
  348   HD11  ILE  47          HD11      ILE  47  -8.613   4.932  -1.060
  349   HD12  ILE  47          HD12      ILE  47  -9.825   4.875   0.221
  350   HD13  ILE  47          HD13      ILE  47  -9.216   6.431  -0.347
  351    H    SER  48           HN       SER  48 -14.329   5.386  -1.290
  352    HA   SER  48           HA       SER  48 -16.390   6.334   0.356
  353    HB2  SER  48           HB2      SER  48 -15.087   8.479   0.055
  354    HB3  SER  48           HB1      SER  48 -15.356   8.330  -1.696
  355    HG   SER  48           HG       SER  48 -17.146   9.351  -1.331
  356    H    TYR  49           HN       TYR  49 -17.643   7.651  -2.068
  357    HA   TYR  49           HA       TYR  49 -17.973   5.242  -3.719
  358    HB2  TYR  49           HB2      TYR  49 -19.426   7.888  -3.699
  359    HB3  TYR  49           HB1      TYR  49 -19.584   6.709  -5.007
  360    HD1  TYR  49           HD1      TYR  49 -21.998   6.179  -4.688
  361    HD2  TYR  49           HD2      TYR  49 -19.277   5.921  -1.399
  362    HE1  TYR  49           HE1      TYR  49 -23.705   5.060  -3.355
  363    HE2  TYR  49           HE2      TYR  49 -21.004   4.802  -0.071
  364    HH   TYR  49           HH       TYR  49 -23.521   3.320  -1.189
  365    H    GLU  50           HN       GLU  50 -15.689   5.489  -4.234
  366    HA   GLU  50           HA       GLU  50 -15.321   7.343  -6.463
  367    HB2  GLU  50           HB2      GLU  50 -13.518   6.971  -4.093
  368    HB3  GLU  50           HB1      GLU  50 -12.888   7.564  -5.615
  369    HG2  GLU  50           HG2      GLU  50 -14.957   8.847  -3.851
  370    HG3  GLU  50           HG1      GLU  50 -13.319   9.403  -4.207
  371    H    ASP  51           HN       ASP  51 -12.812   6.793  -7.215
  372    HA   ASP  51           HA       ASP  51 -12.420   3.953  -7.251
  373    HB2  ASP  51           HB2      ASP  51 -12.433   3.689  -9.652
  374    HB3  ASP  51           HB1      ASP  51 -13.980   4.297  -9.071
  375    H    LYS  52           HN       LYS  52 -10.417   3.314  -7.344
  376    HA   LYS  52           HA       LYS  52  -8.310   5.118  -8.201
  377    HB2  LYS  52           HB2      LYS  52  -8.448   3.906  -5.458
  378    HB3  LYS  52           HB1      LYS  52  -7.008   4.627  -6.144
  379    HG2  LYS  52           HG2      LYS  52  -7.878   6.251  -4.723
  380    HG3  LYS  52           HG1      LYS  52  -8.354   6.767  -6.337
  381    HD2  LYS  52           HD2      LYS  52 -10.609   5.841  -5.960
  382    HD3  LYS  52           HD1      LYS  52 -10.106   5.341  -4.339
  383    HE2  LYS  52           HE2      LYS  52 -11.355   7.482  -4.337
  384    HE3  LYS  52           HE1      LYS  52  -9.728   7.621  -3.673
  385    HZ1  LYS  52           HZ1      LYS  52 -10.609   8.451  -6.393
  386    HZ2  LYS  52           HZ2      LYS  52  -8.998   8.488  -5.847
  387    HZ3  LYS  52           HZ3      LYS  52 -10.166   9.472  -5.109
  388    H    ASN  53           HN       ASN  53  -6.661   4.032  -9.136
  389    HA   ASN  53           HA       ASN  53  -6.726   1.103  -8.886
  390    HB2  ASN  53           HB2      ASN  53  -5.610   2.843 -11.097
  391    HB3  ASN  53           HB1      ASN  53  -5.322   1.095 -10.977
  392   HD21  ASN  53          HD21      ASN  53  -8.344   1.675  -9.727
  393   HD22  ASN  53          HD22      ASN  53  -9.271   1.356 -11.166
  394    H    TRP  54           HN       TRP  54  -5.032   0.069  -8.048
  395    HA   TRP  54           HA       TRP  54  -2.830   1.784  -7.143
  396    HB2  TRP  54           HB2      TRP  54  -4.769   0.277  -5.666
  397    HB3  TRP  54           HB1      TRP  54  -3.139  -0.366  -5.349
  398    HD1  TRP  54           HD1      TRP  54  -5.075   2.995  -5.080
  399    HE1  TRP  54           HE1      TRP  54  -3.788   4.439  -3.367
  400    HE3  TRP  54           HE3      TRP  54  -1.134  -0.077  -4.328
  401    HZ2  TRP  54           HZ2      TRP  54  -1.317   4.251  -1.932
  402    HZ3  TRP  54           HZ3      TRP  54   0.637   0.610  -2.809
  403    HH2  TRP  54           HH2      TRP  54   0.537   2.719  -1.635
  404    H    GLY  55           HN       GLY  55  -0.817   0.747  -6.566
  405    HA2  GLY  55           HA2      GLY  55  -0.462  -1.971  -7.498
  406    HA3  GLY  55           HA1      GLY  55   0.444  -0.761  -8.401
  407    H    ILE  56           HN       ILE  56   1.601  -2.794  -7.176
  408    HA   ILE  56           HA       ILE  56   3.329  -1.607  -5.072
  409    HB   ILE  56           HB       ILE  56   2.299  -4.480  -5.155
  410   HG12  ILE  56          HG12      ILE  56   1.592  -2.286  -3.184
  411   HG13  ILE  56          HG11      ILE  56   0.536  -2.844  -4.504
  412   HG21  ILE  56          HG21      ILE  56   4.320  -3.060  -3.531
  413   HG22  ILE  56          HG22      ILE  56   4.265  -4.740  -4.067
  414   HG23  ILE  56          HG23      ILE  56   3.283  -4.218  -2.698
  415   HD11  ILE  56          HD11      ILE  56   1.410  -4.340  -2.050
  416   HD12  ILE  56          HD12      ILE  56   0.688  -5.138  -3.449
  417   HD13  ILE  56          HD13      ILE  56  -0.225  -3.914  -2.562
  418    H    PHE  57           HN       PHE  57   5.183  -1.418  -6.167
  419    HA   PHE  57           HA       PHE  57   5.627  -3.281  -8.361
  420    HB2  PHE  57           HB2      PHE  57   6.895  -0.560  -7.920
  421    HB3  PHE  57           HB1      PHE  57   6.998  -1.555  -9.389
  422    HD1  PHE  57           HD1      PHE  57   5.440  -1.280 -11.082
  423    HD2  PHE  57           HD2      PHE  57   4.530   0.217  -7.200
  424    HE1  PHE  57           HE1      PHE  57   3.409  -0.202 -11.958
  425    HE2  PHE  57           HE2      PHE  57   2.512   1.256  -8.058
  426    HZ   PHE  57           HZ       PHE  57   1.945   1.067 -10.431
  427    H    VAL  58           HN       VAL  58   6.745  -4.964  -7.682
  428    HA   VAL  58           HA       VAL  58   9.171  -4.622  -6.103
  429    HB   VAL  58           HB       VAL  58   7.834  -7.112  -7.180
  430   HG11  VAL  58          HG11      VAL  58  10.245  -7.427  -7.052
  431   HG12  VAL  58          HG12      VAL  58   9.416  -8.366  -5.810
  432   HG13  VAL  58          HG13      VAL  58  10.236  -6.863  -5.379
  433   HG21  VAL  58          HG21      VAL  58   6.911  -7.432  -5.109
  434   HG22  VAL  58          HG22      VAL  58   6.913  -5.669  -5.171
  435   HG23  VAL  58          HG23      VAL  58   8.182  -6.523  -4.288
  436    H    ASN  59           HN       ASN  59  10.843  -3.894  -7.223
  437    HA   ASN  59           HA       ASN  59  12.545  -3.783  -8.731
  438    HB2  ASN  59           HB2      ASN  59  11.417  -6.400  -9.767
  439    HB3  ASN  59           HB1      ASN  59  12.938  -5.664 -10.318
  440   HD21  ASN  59          HD21      ASN  59  12.787  -4.890  -7.165
  441   HD22  ASN  59          HD22      ASN  59  13.630  -6.234  -6.483
  442    H    GLY  60           HN       GLY  60   9.949  -2.567  -9.195
  443    HA2  GLY  60           HA2      GLY  60   9.582  -0.974 -10.931
  444    HA3  GLY  60           HA1      GLY  60  10.355  -2.112 -12.053
  445    H    GLU  61           HN       GLU  61   8.827  -4.361 -11.201
  446    HA   GLU  61           HA       GLU  61   6.540  -3.841 -12.896
  447    HB2  GLU  61           HB2      GLU  61   6.261  -6.310 -12.883
  448    HB3  GLU  61           HB1      GLU  61   7.856  -5.786 -13.414
  449    HG2  GLU  61           HG2      GLU  61   8.746  -6.289 -11.183
  450    HG3  GLU  61           HG1      GLU  61   7.145  -6.857 -10.691
  451    H    LYS  62           HN       LYS  62   4.441  -3.996 -12.391
  452    HA   LYS  62           HA       LYS  62   3.745  -3.661  -9.621
  453    HB2  LYS  62           HB2      LYS  62   2.752  -2.274 -11.387
  454    HB3  LYS  62           HB1      LYS  62   2.042  -3.724 -12.130
  455    HG2  LYS  62           HG2      LYS  62   0.593  -4.037 -10.218
  456    HG3  LYS  62           HG1      LYS  62   1.366  -2.663  -9.380
  457    HD2  LYS  62           HD2      LYS  62  -0.770  -2.019 -10.414
  458    HD3  LYS  62           HD1      LYS  62   0.593  -1.151 -11.130
  459    HE2  LYS  62           HE2      LYS  62   0.601  -2.790 -12.990
  460    HE3  LYS  62           HE1      LYS  62  -0.827  -3.549 -12.290
  461    HZ1  LYS  62           HZ1      LYS  62  -0.741  -0.690 -13.101
  462    HZ2  LYS  62           HZ2      LYS  62  -2.110  -1.611 -12.696
  463    HZ3  LYS  62           HZ3      LYS  62  -1.261  -1.935 -14.127
  464    H    VAL  63           HN       VAL  63   3.744  -5.484  -8.433
  465    HA   VAL  63           HA       VAL  63   2.994  -8.006  -9.568
  466    HB   VAL  63           HB       VAL  63   3.569  -8.975  -7.458
  467   HG11  VAL  63          HG11      VAL  63   5.942  -7.855  -7.291
  468   HG12  VAL  63          HG12      VAL  63   5.400  -7.027  -8.752
  469   HG13  VAL  63          HG13      VAL  63   5.469  -8.789  -8.711
  470   HG21  VAL  63          HG21      VAL  63   3.609  -6.135  -6.503
  471   HG22  VAL  63          HG22      VAL  63   4.597  -7.364  -5.712
  472   HG23  VAL  63          HG23      VAL  63   2.843  -7.545  -5.769
  473    H    TYR  64           HN       TYR  64   1.429  -5.704  -7.407
  474    HA   TYR  64           HA       TYR  64  -0.975  -7.375  -7.575
  475    HB2  TYR  64           HB2      TYR  64   0.035  -7.742  -5.350
  476    HB3  TYR  64           HB1      TYR  64  -0.056  -5.990  -5.049
  477    HD1  TYR  64           HD1      TYR  64  -1.652  -5.685  -3.355
  478    HD2  TYR  64           HD2      TYR  64  -2.533  -8.362  -6.546
  479    HE1  TYR  64           HE1      TYR  64  -3.929  -5.953  -2.494
  480    HE2  TYR  64           HE2      TYR  64  -4.816  -8.638  -5.684
  481    HH   TYR  64           HH       TYR  64  -5.779  -8.007  -2.762
  482    H    THR  65           HN       THR  65  -2.770  -6.311  -8.113
  483    HA   THR  65           HA       THR  65  -2.769  -3.387  -7.950
  484    HB   THR  65           HB       THR  65  -4.155  -5.074  -9.926
  485    HG1  THR  65           HG1      THR  65  -1.875  -4.926 -10.258
  486   HG21  THR  65          HG21      THR  65  -5.398  -3.027  -9.535
  487   HG22  THR  65          HG22      THR  65  -4.669  -3.031 -11.139
  488   HG23  THR  65          HG23      THR  65  -3.936  -2.090  -9.840
  489    H    PHE  66           HN       PHE  66  -4.184  -2.635  -6.480
  490    HA   PHE  66           HA       PHE  66  -6.707  -4.121  -6.141
  491    HB2  PHE  66           HB2      PHE  66  -6.754  -3.600  -3.767
  492    HB3  PHE  66           HB1      PHE  66  -5.371  -4.644  -4.210
  493    HD1  PHE  66           HD1      PHE  66  -3.223  -4.058  -3.545
  494    HD2  PHE  66           HD2      PHE  66  -6.296  -1.113  -3.398
  495    HE1  PHE  66           HE1      PHE  66  -1.736  -2.574  -2.267
  496    HE2  PHE  66           HE2      PHE  66  -4.805   0.381  -2.138
  497    HZ   PHE  66           HZ       PHE  66  -2.514  -0.345  -1.568
  498    H    ASN  67           HN       ASN  67  -8.524  -2.920  -5.785
  499    HA   ASN  67           HA       ASN  67  -8.205  -0.131  -6.627
  500    HB2  ASN  67           HB2      ASN  67 -10.665  -1.908  -6.642
  501    HB3  ASN  67           HB1      ASN  67 -10.584  -0.258  -7.267
  502   HD21  ASN  67          HD21      ASN  67 -10.592  -3.382  -8.159
  503   HD22  ASN  67          HD22      ASN  67  -9.739  -3.269  -9.657
  504    H    GLU  68           HN       GLU  68  -9.097   1.544  -5.453
  505    HA   GLU  68           HA       GLU  68  -9.614   1.038  -2.665
  506    HB2  GLU  68           HB2      GLU  68  -9.869   3.581  -4.252
  507    HB3  GLU  68           HB1      GLU  68  -9.899   3.456  -2.507
  508    HG2  GLU  68           HG2      GLU  68  -7.555   2.472  -4.072
  509    HG3  GLU  68           HG1      GLU  68  -7.722   4.197  -3.657
  510    H    LYS  69           HN       LYS  69 -11.357   0.885  -5.458
  511    HA   LYS  69           HA       LYS  69 -13.995   1.575  -4.535
  512    HB2  LYS  69           HB2      LYS  69 -13.173  -0.459  -6.618
  513    HB3  LYS  69           HB1      LYS  69 -14.752   0.338  -6.471
  514    HG2  LYS  69           HG2      LYS  69 -13.736   2.476  -6.964
  515    HG3  LYS  69           HG1      LYS  69 -12.159   1.679  -7.187
  516    HD2  LYS  69           HD2      LYS  69 -14.666   1.249  -8.835
  517    HD3  LYS  69           HD1      LYS  69 -13.227   2.132  -9.330
  518    HE2  LYS  69           HE2      LYS  69 -13.093   0.026 -10.380
  519    HE3  LYS  69           HE1      LYS  69 -11.947  -0.025  -9.045
  520    HZ1  LYS  69           HZ1      LYS  69 -13.182  -1.568  -7.927
  521    HZ2  LYS  69           HZ2      LYS  69 -13.641  -1.971  -9.507
  522    HZ3  LYS  69           HZ3      LYS  69 -14.665  -1.013  -8.546
  523    H    SER  70           HN       SER  70 -11.820  -1.130  -4.629
  524    HA   SER  70           HA       SER  70 -13.575  -2.941  -3.285
  525    HB2  SER  70           HB2      SER  70 -11.726  -3.740  -4.799
  526    HB3  SER  70           HB1      SER  70 -10.571  -3.137  -3.570
  527    HG   SER  70           HG       SER  70 -10.854  -4.998  -2.650
  528    H    THR  71           HN       THR  71 -13.919  -2.901  -1.156
  529    HA   THR  71           HA       THR  71 -13.108  -0.855   0.484
  530    HB   THR  71           HB       THR  71 -13.828  -2.249   2.343
  531    HG1  THR  71           HG1      THR  71 -14.007  -4.362   2.212
  532   HG21  THR  71          HG21      THR  71 -15.814  -3.089   0.366
  533   HG22  THR  71          HG22      THR  71 -15.417  -1.371   0.345
  534   HG23  THR  71          HG23      THR  71 -16.001  -2.124   1.830
  535    H    VAL  72           HN       VAL  72 -11.192  -0.326   1.398
  536    HA   VAL  72           HA       VAL  72  -8.928  -1.726   0.941
  537    HB   VAL  72           HB       VAL  72  -8.450  -0.113   3.258
  538   HG11  VAL  72          HG11      VAL  72  -6.975   1.014   1.680
  539   HG12  VAL  72          HG12      VAL  72  -7.778   0.223   0.325
  540   HG13  VAL  72          HG13      VAL  72  -6.860  -0.735   1.488
  541   HG21  VAL  72          HG21      VAL  72  -9.176   2.046   2.412
  542   HG22  VAL  72          HG22      VAL  72 -10.602   1.014   2.503
  543   HG23  VAL  72          HG23      VAL  72  -9.823   1.321   0.935
  544    H    GLY  73           HN       GLY  73 -11.286  -2.390   3.119
  545    HA2  GLY  73           HA2      GLY  73  -9.793  -3.787   5.129
  546    HA3  GLY  73           HA1      GLY  73 -11.508  -3.869   4.794
  547    H    ASN  74           HN       ASN  74 -12.010  -4.873   2.585
  548    HA   ASN  74           HA       ASN  74 -11.355  -7.588   2.730
  549    HB2  ASN  74           HB2      ASN  74 -13.379  -6.718   1.592
  550    HB3  ASN  74           HB1      ASN  74 -12.363  -5.988   0.341
  551   HD21  ASN  74          HD21      ASN  74 -14.376  -8.482   0.924
  552   HD22  ASN  74          HD22      ASN  74 -13.727  -9.658  -0.181
  553    H    ILE  75           HN       ILE  75  -9.886  -4.932   1.054
  554    HA   ILE  75           HA       ILE  75  -8.151  -6.550  -0.562
  555    HB   ILE  75           HB       ILE  75  -8.189  -3.671   0.134
  556   HG12  ILE  75          HG12      ILE  75  -9.924  -4.461  -1.392
  557   HG13  ILE  75          HG11      ILE  75  -8.771  -3.456  -2.299
  558   HG21  ILE  75          HG21      ILE  75  -6.362  -3.258  -1.376
  559   HG22  ILE  75          HG22      ILE  75  -6.246  -4.979  -1.751
  560   HG23  ILE  75          HG23      ILE  75  -5.849  -4.400  -0.136
  561   HD11  ILE  75          HD11      ILE  75  -8.950  -5.189  -3.736
  562   HD12  ILE  75          HD12      ILE  75  -9.307  -6.363  -2.469
  563   HD13  ILE  75          HD13      ILE  75  -7.650  -5.822  -2.728
  564    H    SER  76           HN       SER  76  -7.770  -4.832   2.511
  565    HA   SER  76           HA       SER  76  -5.013  -5.598   2.710
  566    HB2  SER  76           HB2      SER  76  -5.660  -3.610   3.852
  567    HB3  SER  76           HB1      SER  76  -6.938  -4.454   4.736
  568    HG   SER  76           HG       SER  76  -5.375  -5.522   5.919
  569    H    ASN  77           HN       ASN  77  -7.973  -7.110   3.373
  570    HA   ASN  77           HA       ASN  77  -6.924  -9.162   5.094
  571    HB2  ASN  77           HB2      ASN  77  -9.359  -9.085   3.291
  572    HB3  ASN  77           HB1      ASN  77  -8.935 -10.464   4.310
  573   HD21  ASN  77          HD21      ASN  77  -7.915  -7.912   6.027
  574   HD22  ASN  77          HD22      ASN  77  -9.333  -7.585   6.969
  575    H    ASP  78           HN       ASP  78  -7.009  -8.385   1.698
  576    HA   ASP  78           HA       ASP  78  -5.923 -10.932   0.861
  577    HB2  ASP  78           HB2      ASP  78  -6.235  -8.316  -0.623
  578    HB3  ASP  78           HB1      ASP  78  -5.529  -9.780  -1.345
  579    H    ILE  79           HN       ILE  79  -4.671  -7.765   1.719
  580    HA   ILE  79           HA       ILE  79  -2.132  -8.208   0.588
  581    HB   ILE  79           HB       ILE  79  -2.678  -6.339   2.937
  582   HG12  ILE  79          HG12      ILE  79  -2.989  -5.855  -0.051
  583   HG13  ILE  79          HG11      ILE  79  -4.328  -6.009   1.109
  584   HG21  ILE  79          HG21      ILE  79  -0.791  -5.135   2.173
  585   HG22  ILE  79          HG22      ILE  79  -0.755  -5.997   0.637
  586   HG23  ILE  79          HG23      ILE  79  -0.299  -6.829   2.123
  587   HD11  ILE  79          HD11      ILE  79  -2.284  -3.812   0.897
  588   HD12  ILE  79          HD12      ILE  79  -3.356  -4.004   2.285
  589   HD13  ILE  79          HD13      ILE  79  -4.033  -3.708   0.681
  590    H    ASN  80           HN       ASN  80  -3.604  -9.440   3.368
  591    HA   ASN  80           HA       ASN  80  -1.244 -10.013   4.872
  592    HB2  ASN  80           HB2      ASN  80  -4.063 -11.086   5.004
  593    HB3  ASN  80           HB1      ASN  80  -2.787 -11.560   6.104
  594   HD21  ASN  80          HD21      ASN  80  -2.142  -8.452   5.360
  595   HD22  ASN  80          HD22      ASN  80  -2.982  -7.655   6.657
  596    H    LYS  81           HN       LYS  81  -3.170 -11.736   2.429
  597    HA   LYS  81           HA       LYS  81  -1.521 -14.082   2.692
  598    HB2  LYS  81           HB2      LYS  81  -2.730 -14.833   0.573
  599    HB3  LYS  81           HB1      LYS  81  -3.655 -14.709   2.057
  600    HG2  LYS  81           HG2      LYS  81  -3.625 -12.355   0.265
  601    HG3  LYS  81           HG1      LYS  81  -4.555 -13.785  -0.242
  602    HD2  LYS  81           HD2      LYS  81  -4.813 -12.320   2.385
  603    HD3  LYS  81           HD1      LYS  81  -5.930 -12.201   1.025
  604    HE2  LYS  81           HE2      LYS  81  -5.331 -14.697   2.613
  605    HE3  LYS  81           HE1      LYS  81  -6.777 -13.700   2.765
  606    HZ1  LYS  81           HZ1      LYS  81  -6.192 -15.758   0.886
  607    HZ2  LYS  81           HZ2      LYS  81  -6.607 -14.314   0.086
  608    HZ3  LYS  81           HZ3      LYS  81  -7.673 -14.996   1.222
  609    H    LEU  82           HN       LEU  82  -1.984 -11.588   0.156
  610    HA   LEU  82           HA       LEU  82  -0.089 -12.396  -1.650
  611    HB2  LEU  82           HB2      LEU  82  -1.089  -9.731  -0.810
  612    HB3  LEU  82           HB1      LEU  82   0.208  -9.864  -2.011
  613    HG   LEU  82           HG       LEU  82  -2.048  -9.652  -2.973
  614   HD11  LEU  82          HD11      LEU  82  -0.129 -10.783  -4.120
  615   HD12  LEU  82          HD12      LEU  82  -1.733 -11.216  -4.712
  616   HD13  LEU  82          HD13      LEU  82  -0.865 -12.312  -3.638
  617   HD21  LEU  82          HD21      LEU  82  -2.552 -12.400  -1.919
  618   HD22  LEU  82          HD22      LEU  82  -3.603 -11.482  -2.996
  619   HD23  LEU  82          HD23      LEU  82  -3.333 -10.925  -1.344
  620    H    ASN  83           HN       ASN  83   0.367 -10.906   1.447
  621    HA   ASN  83           HA       ASN  83   2.240 -10.255   2.648
  622    HB2  ASN  83           HB2      ASN  83   1.951 -12.745   2.810
  623    HB3  ASN  83           HB1      ASN  83   3.149 -12.916   1.527
  624   HD21  ASN  83          HD21      ASN  83   3.881 -10.293   3.502
  625   HD22  ASN  83          HD22      ASN  83   5.040 -11.080   4.533
  626    H    ILE  84           HN       ILE  84   2.689  -8.567   0.842
  627    HA   ILE  84           HA       ILE  84   4.822  -9.219  -0.938
  628    HB   ILE  84           HB       ILE  84   3.658  -6.505  -0.384
  629   HG12  ILE  84          HG12      ILE  84   1.911  -8.107  -1.089
  630   HG13  ILE  84          HG11      ILE  84   2.228  -6.890  -2.350
  631   HG21  ILE  84          HG21      ILE  84   4.563  -5.863  -2.507
  632   HG22  ILE  84          HG22      ILE  84   5.083  -7.516  -2.837
  633   HG23  ILE  84          HG23      ILE  84   5.859  -6.586  -1.555
  634   HD11  ILE  84          HD11      ILE  84   3.920  -8.841  -3.117
  635   HD12  ILE  84          HD12      ILE  84   2.253  -8.700  -3.679
  636   HD13  ILE  84          HD13      ILE  84   2.649  -9.805  -2.363
  637    H    LYS  85           HN       LYS  85   6.713  -9.654   0.114
  638    HA   LYS  85           HA       LYS  85   7.869  -7.393   1.566
  639    HB2  LYS  85           HB2      LYS  85   8.988  -9.277   3.033
  640    HB3  LYS  85           HB1      LYS  85   7.416  -8.618   3.416
  641    HG2  LYS  85           HG2      LYS  85   7.390 -11.017   3.677
  642    HG3  LYS  85           HG1      LYS  85   6.322 -10.534   2.369
  643    HD2  LYS  85           HD2      LYS  85   7.433 -12.496   1.651
  644    HD3  LYS  85           HD1      LYS  85   8.172 -11.160   0.775
  645    HE2  LYS  85           HE2      LYS  85   9.822 -12.798   1.577
  646    HE3  LYS  85           HE1      LYS  85  10.093 -11.201   2.260
  647    HZ1  LYS  85           HZ1      LYS  85   9.228 -11.883   4.327
  648    HZ2  LYS  85           HZ2      LYS  85  10.248 -13.144   3.833
  649    HZ3  LYS  85           HZ3      LYS  85   8.564 -13.307   3.683
  650    H    GLY  86           HN       GLY  86   9.200  -6.738  -0.012
  651    HA2  GLY  86           HA2      GLY  86  11.203  -6.597  -1.117
  652    HA3  GLY  86           HA1      GLY  86  11.730  -7.971  -0.127
  653    HA   PRO  87           HA       PRO  87  13.065  -6.879  -1.951
  654    HB2  PRO  87           HB2      PRO  87  14.413  -6.747  -4.212
  655    HB3  PRO  87           HB1      PRO  87  14.504  -8.190  -3.207
  656    HG2  PRO  87           HG2      PRO  87  12.962  -7.715  -5.722
  657    HG3  PRO  87           HG1      PRO  87  13.851  -9.162  -5.210
  658    HD2  PRO  87           HD2      PRO  87  11.073  -8.758  -4.927
  659    HD3  PRO  87           HD1      PRO  87  12.055  -9.999  -4.086
  660    H    TYR  88           HN       TYR  88  13.796  -4.789  -3.103
  661    HA   TYR  88           HA       TYR  88  12.785  -2.629  -3.181
  662    HB2  TYR  88           HB2      TYR  88  13.031  -3.587  -6.046
  663    HB3  TYR  88           HB1      TYR  88  13.093  -1.887  -5.475
  664    HD1  TYR  88           HD1      TYR  88  15.173  -0.939  -5.061
  665    HD2  TYR  88           HD2      TYR  88  14.824  -5.165  -5.048
  666    HE1  TYR  88           HE1      TYR  88  17.613  -1.135  -4.826
  667    HE2  TYR  88           HE2      TYR  88  17.257  -5.384  -4.799
  668    HH   TYR  88           HH       TYR  88  19.383  -2.948  -5.407
  669    H    ILE  89           HN       ILE  89  10.718  -2.464  -2.424
  670    HA   ILE  89           HA       ILE  89   8.505  -3.028  -4.298
  671    HB   ILE  89           HB       ILE  89   8.472  -2.611  -1.298
  672   HG12  ILE  89          HG12      ILE  89   7.980  -5.091  -2.982
  673   HG13  ILE  89          HG11      ILE  89   9.496  -4.796  -2.090
  674   HG21  ILE  89          HG21      ILE  89   6.429  -1.851  -2.479
  675   HG22  ILE  89          HG22      ILE  89   6.158  -3.203  -1.378
  676   HG23  ILE  89          HG23      ILE  89   6.237  -3.485  -3.118
  677   HD11  ILE  89          HD11      ILE  89   6.790  -4.905  -0.766
  678   HD12  ILE  89          HD12      ILE  89   8.383  -4.992  -0.014
  679   HD13  ILE  89          HD13      ILE  89   7.803  -6.328  -1.009
  680    H    GLU  90           HN       GLU  90   7.208  -1.514  -5.003
  681    HA   GLU  90           HA       GLU  90   7.395   1.167  -3.815
  682    HB2  GLU  90           HB2      GLU  90   8.465   1.182  -6.038
  683    HB3  GLU  90           HB1      GLU  90   6.961   0.561  -6.753
  684    HG2  GLU  90           HG2      GLU  90   7.176   2.946  -7.125
  685    HG3  GLU  90           HG1      GLU  90   5.803   2.602  -6.076
  686    H    ILE  91           HN       ILE  91   5.658   1.018  -2.570
  687    HA   ILE  91           HA       ILE  91   3.112   0.087  -3.602
  688    HB   ILE  91           HB       ILE  91   4.009   0.882  -0.829
  689   HG12  ILE  91          HG12      ILE  91   3.524  -1.806  -2.096
  690   HG13  ILE  91          HG11      ILE  91   5.056  -1.162  -1.511
  691   HG21  ILE  91          HG21      ILE  91   1.569   1.217  -1.213
  692   HG22  ILE  91          HG22      ILE  91   1.979   0.084   0.068
  693   HG23  ILE  91          HG23      ILE  91   1.447  -0.518  -1.500
  694   HD11  ILE  91          HD11      ILE  91   2.667  -1.823   0.197
  695   HD12  ILE  91          HD12      ILE  91   4.225  -1.222   0.771
  696   HD13  ILE  91          HD13      ILE  91   4.118  -2.813   0.017
  697    H    LYS  92           HN       LYS  92   2.159   1.693  -4.841
  698    HA   LYS  92           HA       LYS  92   1.219   4.024  -3.476
  699    HB2  LYS  92           HB2      LYS  92   2.415   5.722  -4.400
  700    HB3  LYS  92           HB1      LYS  92   3.664   4.479  -4.512
  701    HG2  LYS  92           HG2      LYS  92   1.786   5.281  -6.730
  702    HG3  LYS  92           HG1      LYS  92   3.448   5.828  -6.550
  703    HD2  LYS  92           HD2      LYS  92   4.255   3.559  -6.895
  704    HD3  LYS  92           HD1      LYS  92   2.591   2.965  -6.937
  705    HE2  LYS  92           HE2      LYS  92   2.136   3.973  -8.996
  706    HE3  LYS  92           HE1      LYS  92   3.452   5.126  -8.799
  707    HZ1  LYS  92           HZ1      LYS  92   5.044   3.577  -9.405
  708    HZ2  LYS  92           HZ2      LYS  92   3.764   3.297 -10.486
  709    HZ3  LYS  92           HZ3      LYS  92   4.002   2.264  -9.167
  710    H    GLN  93           HN       GLN  93  -0.209   5.375  -4.954
  711    HA   GLN  93           HA       GLN  93  -1.725   3.551  -6.579
  712    HB2  GLN  93           HB2      GLN  93  -3.282   5.399  -6.941
  713    HB3  GLN  93           HB1      GLN  93  -2.999   5.056  -5.227
  714    HG2  GLN  93           HG2      GLN  93  -1.368   6.892  -5.180
  715    HG3  GLN  93           HG1      GLN  93  -1.803   7.296  -6.837
  716   HE21  GLN  93          HE21      GLN  93  -3.156   8.922  -6.978
  717   HE22  GLN  93          HE22      GLN  93  -4.397   9.328  -5.845
  718    H    ILE  94           HN       ILE  94  -2.532   4.254  -8.703
  719    HA   ILE  94           HA       ILE  94  -0.383   5.453 -10.316
  720    HB   ILE  94           HB       ILE  94  -0.682   3.530 -11.847
  721   HG12  ILE  94          HG12      ILE  94  -2.345   2.576  -9.520
  722   HG13  ILE  94          HG11      ILE  94  -2.846   2.816 -11.192
  723   HG21  ILE  94          HG21      ILE  94   0.211   1.908  -9.784
  724   HG22  ILE  94          HG22      ILE  94   0.618   3.547  -9.269
  725   HG23  ILE  94          HG23      ILE  94   1.202   2.938 -10.820
  726   HD11  ILE  94          HD11      ILE  94  -0.770   0.976 -11.297
  727   HD12  ILE  94          HD12      ILE  94  -2.494   0.670 -11.518
  728   HD13  ILE  94          HD13      ILE  94  -1.765   0.510  -9.918
  Start of MODEL    3
    1    H    ASP   1           HT1      ASP   1  23.154   4.774  -4.200
    2    HA   ASP   1           HA       ASP   1  22.576   2.874  -3.104
    3    HB2  ASP   1           HB2      ASP   1  24.710   1.872  -2.297
    4    HB3  ASP   1           HB1      ASP   1  24.878   2.719  -3.830
    5    H    ASN   2           HN       ASN   2  21.134   4.255  -1.580
    6    HA   ASN   2           HA       ASN   2  20.153   4.439   0.449
    7    HB2  ASN   2           HB2      ASN   2  21.981   2.132   1.130
    8    HB3  ASN   2           HB1      ASN   2  20.639   2.680   2.130
    9   HD21  ASN   2          HD21      ASN   2  21.505   0.404  -0.003
   10   HD22  ASN   2          HD22      ASN   2  19.964   0.031  -0.696
   11    H    GLN   3           HN       GLN   3  22.583   6.040  -0.042
   12    HA   GLN   3           HA       GLN   3  23.593   6.364   2.691
   13    HB2  GLN   3           HB2      GLN   3  24.395   7.753   0.127
   14    HB3  GLN   3           HB1      GLN   3  25.103   8.073   1.706
   15    HG2  GLN   3           HG2      GLN   3  25.882   5.749   1.812
   16    HG3  GLN   3           HG1      GLN   3  25.209   5.463   0.208
   17   HE21  GLN   3          HE21      GLN   3  26.233   8.560   0.159
   18   HE22  GLN   3          HE22      GLN   3  27.833   8.333  -0.453
   19    H    LYS   4           HN       LYS   4  21.947   8.197   0.133
   20    HA   LYS   4           HA       LYS   4  20.877   9.948   2.243
   21    HB2  LYS   4           HB2      LYS   4  20.392  11.597   0.463
   22    HB3  LYS   4           HB1      LYS   4  22.112  11.272   0.631
   23    HG2  LYS   4           HG2      LYS   4  22.111   9.903  -1.338
   24    HG3  LYS   4           HG1      LYS   4  20.353  10.004  -1.460
   25    HD2  LYS   4           HD2      LYS   4  22.263  12.331  -1.688
   26    HD3  LYS   4           HD1      LYS   4  21.477  11.511  -3.042
   27    HE2  LYS   4           HE2      LYS   4  19.284  12.136  -2.132
   28    HE3  LYS   4           HE1      LYS   4  20.077  12.968  -0.797
   29    HZ1  LYS   4           HZ1      LYS   4  20.945  13.802  -3.433
   30    HZ2  LYS   4           HZ2      LYS   4  20.539  14.735  -2.068
   31    HZ3  LYS   4           HZ3      LYS   4  19.315  14.136  -3.079
   32    H    ALA   5           HN       ALA   5  20.199   7.269   0.709
   33    HA   ALA   5           HA       ALA   5  17.575   7.871  -0.298
   34    HB1  ALA   5           HB1      ALA   5  18.360   5.055   0.129
   35    HB2  ALA   5           HB2      ALA   5  19.342   5.992  -1.001
   36    HB3  ALA   5           HB3      ALA   5  17.607   5.827  -1.267
   37    H    LEU   6           HN       LEU   6  16.957   8.769   1.890
   38    HA   LEU   6           HA       LEU   6  16.130   6.635   3.733
   39    HB2  LEU   6           HB2      LEU   6  16.398   9.608   4.175
   40    HB3  LEU   6           HB1      LEU   6  15.650   8.530   5.330
   41    HG   LEU   6           HG       LEU   6  17.872   8.998   6.062
   42   HD11  LEU   6          HD11      LEU   6  18.873   6.548   5.570
   43   HD12  LEU   6          HD12      LEU   6  17.175   6.291   5.171
   44   HD13  LEU   6          HD13      LEU   6  17.625   6.891   6.767
   45   HD21  LEU   6          HD21      LEU   6  19.585   7.804   4.207
   46   HD22  LEU   6          HD22      LEU   6  19.455   9.518   4.607
   47   HD23  LEU   6          HD23      LEU   6  18.520   8.851   3.269
   48    H    GLU   7           HN       GLU   7  14.908   8.260   1.188
   49    HA   GLU   7           HA       GLU   7  12.433   9.181   2.181
   50    HB2  GLU   7           HB2      GLU   7  11.714   9.313  -0.163
   51    HB3  GLU   7           HB1      GLU   7  13.291  10.041   0.092
   52    HG2  GLU   7           HG2      GLU   7  12.963   7.244  -0.945
   53    HG3  GLU   7           HG1      GLU   7  12.958   8.647  -2.004
   54    H    GLU   8           HN       GLU   8  13.427   6.071   2.118
   55    HA   GLU   8           HA       GLU   8  10.867   4.935   1.313
   56    HB2  GLU   8           HB2      GLU   8  11.934   2.748   1.866
   57    HB3  GLU   8           HB1      GLU   8  12.775   3.656   0.620
   58    HG2  GLU   8           HG2      GLU   8  14.440   4.371   2.251
   59    HG3  GLU   8           HG1      GLU   8  13.588   3.482   3.515
   60    H    GLN   9           HN       GLN   9  12.852   5.459   4.087
   61    HA   GLN   9           HA       GLN   9  10.779   4.594   5.932
   62    HB2  GLN   9           HB2      GLN   9  12.792   3.857   6.735
   63    HB3  GLN   9           HB1      GLN   9  13.693   5.170   6.012
   64    HG2  GLN   9           HG2      GLN   9  11.971   5.634   8.408
   65    HG3  GLN   9           HG1      GLN   9  13.588   4.946   8.565
   66   HE21  GLN   9          HE21      GLN   9  13.736   6.852   5.886
   67   HE22  GLN   9          HE22      GLN   9  14.272   8.331   6.627
   68    H    MET  10           HN       MET  10  11.136   7.153   4.040
   69    HA   MET  10           HA       MET  10  10.523   9.176   6.088
   70    HB2  MET  10           HB2      MET  10  12.334   9.722   4.552
   71    HB3  MET  10           HB1      MET  10  11.269   9.477   3.177
   72    HG2  MET  10           HG2      MET  10   9.899  11.371   3.917
   73    HG3  MET  10           HG1      MET  10  11.009  11.626   5.265
   74    HE1  MET  10           HE1      MET  10  10.971  14.025   4.469
   75    HE2  MET  10           HE2      MET  10  10.342  13.975   2.822
   76    HE3  MET  10           HE3      MET  10  11.934  14.664   3.137
   77    H    ASN  11           HN       ASN  11   9.467   8.915   2.698
   78    HA   ASN  11           HA       ASN  11   6.725   9.451   3.620
   79    HB2  ASN  11           HB2      ASN  11   6.268   9.803   1.152
   80    HB3  ASN  11           HB1      ASN  11   7.229  11.058   1.957
   81   HD21  ASN  11          HD21      ASN  11   6.942   9.277  -0.766
   82   HD22  ASN  11          HD22      ASN  11   8.582   9.281  -1.312
   83    H    SER  12           HN       SER  12   8.673   7.436   1.609
   84    HA   SER  12           HA       SER  12   7.056   6.063   0.129
   85    HB2  SER  12           HB2      SER  12   9.449   5.621   0.298
   86    HB3  SER  12           HB1      SER  12   9.217   4.888   1.898
   87    HG   SER  12           HG       SER  12   9.378   3.506  -0.155
   88    H    ILE  13           HN       ILE  13   7.848   4.730   3.304
   89    HA   ILE  13           HA       ILE  13   5.558   2.968   3.206
   90    HB   ILE  13           HB       ILE  13   7.778   3.255   5.232
   91   HG12  ILE  13          HG12      ILE  13   8.536   2.820   2.965
   92   HG13  ILE  13          HG11      ILE  13   8.860   1.439   4.046
   93   HG21  ILE  13          HG21      ILE  13   7.144   1.187   6.139
   94   HG22  ILE  13          HG22      ILE  13   6.158   0.773   4.736
   95   HG23  ILE  13          HG23      ILE  13   5.602   2.004   5.874
   96   HD11  ILE  13          HD11      ILE  13   8.054   0.346   2.211
   97   HD12  ILE  13          HD12      ILE  13   6.999   1.679   1.739
   98   HD13  ILE  13          HD13      ILE  13   6.541   0.621   3.074
   99    H    ASN  14           HN       ASN  14   6.186   6.013   4.404
  100    HA   ASN  14           HA       ASN  14   4.259   5.734   6.604
  101    HB2  ASN  14           HB2      ASN  14   6.043   8.052   5.869
  102    HB3  ASN  14           HB1      ASN  14   4.831   8.107   7.147
  103   HD21  ASN  14          HD21      ASN  14   8.003   7.720   6.615
  104   HD22  ASN  14          HD22      ASN  14   8.429   6.744   7.978
  105    H    SER  15           HN       SER  15   4.736   8.036   3.887
  106    HA   SER  15           HA       SER  15   2.097   9.019   4.108
  107    HB2  SER  15           HB2      SER  15   2.444  10.181   2.015
  108    HB3  SER  15           HB1      SER  15   3.879  10.342   3.031
  109    HG   SER  15           HG       SER  15   4.592   8.364   1.749
  110    H    VAL  16           HN       VAL  16   3.336   6.135   2.752
  111    HA   VAL  16           HA       VAL  16   1.521   5.542   0.705
  112    HB   VAL  16           HB       VAL  16   3.398   4.046   1.291
  113   HG11  VAL  16          HG11      VAL  16   1.834   3.706   3.791
  114   HG12  VAL  16          HG12      VAL  16   3.570   3.919   3.566
  115   HG13  VAL  16          HG13      VAL  16   2.812   2.375   3.178
  116   HG21  VAL  16          HG21      VAL  16   1.618   1.952   1.614
  117   HG22  VAL  16          HG22      VAL  16   2.167   2.633   0.083
  118   HG23  VAL  16          HG23      VAL  16   0.665   3.203   0.820
  119    H    ASN  17           HN       ASN  17   1.174   5.703   4.122
  120    HA   ASN  17           HA       ASN  17  -1.383   4.376   4.274
  121    HB2  ASN  17           HB2      ASN  17   0.017   6.194   6.263
  122    HB3  ASN  17           HB1      ASN  17  -1.465   5.309   6.590
  123   HD21  ASN  17          HD21      ASN  17  -1.105   3.652   7.839
  124   HD22  ASN  17          HD22      ASN  17   0.275   2.609   7.790
  125    H    ASP  18           HN       ASP  18  -0.170   7.657   4.177
  126    HA   ASP  18           HA       ASP  18  -2.557   9.042   4.606
  127    HB2  ASP  18           HB2      ASP  18  -0.134   9.771   2.944
  128    HB3  ASP  18           HB1      ASP  18  -1.411  10.908   3.340
  129    H    LYS  19           HN       LYS  19  -1.695   7.144   1.860
  130    HA   LYS  19           HA       LYS  19  -3.323   8.576  -0.054
  131    HB2  LYS  19           HB2      LYS  19  -2.399   5.758  -0.417
  132    HB3  LYS  19           HB1      LYS  19  -2.524   7.051  -1.609
  133    HG2  LYS  19           HG2      LYS  19  -0.472   6.704   0.527
  134    HG3  LYS  19           HG1      LYS  19  -0.243   6.610  -1.228
  135    HD2  LYS  19           HD2      LYS  19  -0.856   8.968  -1.366
  136    HD3  LYS  19           HD1      LYS  19  -0.984   9.037   0.378
  137    HE2  LYS  19           HE2      LYS  19   1.162   9.884  -0.305
  138    HE3  LYS  19           HE1      LYS  19   1.350   8.362   0.590
  139    HZ1  LYS  19           HZ1      LYS  19   1.143   8.093  -2.305
  140    HZ2  LYS  19           HZ2      LYS  19   2.186   7.319  -1.208
  141    HZ3  LYS  19           HZ3      LYS  19   2.539   8.887  -1.755
  142    H    LEU  20           HN       LEU  20  -3.212   5.689   1.746
  143    HA   LEU  20           HA       LEU  20  -5.613   4.470   0.859
  144    HB2  LEU  20           HB2      LEU  20  -3.809   3.954   3.215
  145    HB3  LEU  20           HB1      LEU  20  -4.927   2.795   2.494
  146    HG   LEU  20           HG       LEU  20  -2.513   3.980   1.114
  147   HD11  LEU  20          HD11      LEU  20  -1.265   2.328   1.871
  148   HD12  LEU  20          HD12      LEU  20  -2.509   1.126   1.526
  149   HD13  LEU  20          HD13      LEU  20  -2.544   2.021   3.046
  150   HD21  LEU  20          HD21      LEU  20  -4.556   3.277  -0.270
  151   HD22  LEU  20          HD22      LEU  20  -4.139   1.629   0.200
  152   HD23  LEU  20          HD23      LEU  20  -2.988   2.603  -0.715
  153    H    ASN  21           HN       ASN  21  -4.548   6.232   3.683
  154    HA   ASN  21           HA       ASN  21  -6.977   5.904   5.147
  155    HB2  ASN  21           HB2      ASN  21  -4.485   7.550   5.504
  156    HB3  ASN  21           HB1      ASN  21  -5.888   7.827   6.539
  157   HD21  ASN  21          HD21      ASN  21  -3.037   6.204   6.300
  158   HD22  ASN  21          HD22      ASN  21  -3.356   4.908   7.417
  159    H    LYS  22           HN       LYS  22  -8.740   6.730   4.061
  160    HA   LYS  22           HA       LYS  22  -8.335   9.400   2.866
  161    HB2  LYS  22           HB2      LYS  22 -10.263   7.267   1.950
  162    HB3  LYS  22           HB1      LYS  22  -9.794   8.740   1.086
  163    HG2  LYS  22           HG2      LYS  22  -7.452   7.862   1.036
  164    HG3  LYS  22           HG1      LYS  22  -8.066   6.352   1.704
  165    HD2  LYS  22           HD2      LYS  22  -7.878   6.080  -0.652
  166    HD3  LYS  22           HD1      LYS  22  -9.599   6.200  -0.268
  167    HE2  LYS  22           HE2      LYS  22  -9.036   7.535  -2.232
  168    HE3  LYS  22           HE1      LYS  22  -9.581   8.558  -0.901
  169    HZ1  LYS  22           HZ1      LYS  22  -6.836   8.334  -0.630
  170    HZ2  LYS  22           HZ2      LYS  22  -7.706   9.697  -1.146
  171    HZ3  LYS  22           HZ3      LYS  22  -7.108   8.594  -2.285
  172    H    GLY  23           HN       GLY  23 -10.783   7.460   4.540
  173    HA2  GLY  23           HA2      GLY  23 -11.916   9.350   6.066
  174    HA3  GLY  23           HA1      GLY  23 -12.654   9.612   4.477
  175    H    LYS  24           HN       LYS  24 -13.664   7.657   3.464
  176    HA   LYS  24           HA       LYS  24 -15.509   6.434   5.243
  177    HB2  LYS  24           HB2      LYS  24 -15.888   6.821   2.794
  178    HB3  LYS  24           HB1      LYS  24 -14.773   5.468   2.474
  179    HG2  LYS  24           HG2      LYS  24 -16.218   3.909   3.422
  180    HG3  LYS  24           HG1      LYS  24 -17.180   5.145   4.240
  181    HD2  LYS  24           HD2      LYS  24 -17.947   5.969   2.116
  182    HD3  LYS  24           HD1      LYS  24 -16.989   4.759   1.260
  183    HE2  LYS  24           HE2      LYS  24 -18.300   2.978   2.336
  184    HE3  LYS  24           HE1      LYS  24 -19.265   4.195   3.169
  185    HZ1  LYS  24           HZ1      LYS  24 -19.736   5.045   0.792
  186    HZ2  LYS  24           HZ2      LYS  24 -20.568   3.676   1.359
  187    HZ3  LYS  24           HZ3      LYS  24 -19.247   3.490   0.309
  188    H    GLY  25           HN       GLY  25 -12.939   5.023   3.268
  189    HA2  GLY  25           HA2      GLY  25 -12.334   3.217   5.477
  190    HA3  GLY  25           HA1      GLY  25 -12.389   2.611   3.840
  191    H    LYS  26           HN       LYS  26 -10.187   2.308   5.371
  192    HA   LYS  26           HA       LYS  26  -8.202   4.004   4.057
  193    HB2  LYS  26           HB2      LYS  26  -7.232   4.241   6.455
  194    HB3  LYS  26           HB1      LYS  26  -8.565   5.276   5.934
  195    HG2  LYS  26           HG2      LYS  26 -10.101   3.530   6.838
  196    HG3  LYS  26           HG1      LYS  26  -8.681   2.842   7.646
  197    HD2  LYS  26           HD2      LYS  26  -9.897   4.385   9.137
  198    HD3  LYS  26           HD1      LYS  26  -8.277   4.991   8.765
  199    HE2  LYS  26           HE2      LYS  26  -9.140   6.538   7.171
  200    HE3  LYS  26           HE1      LYS  26 -10.752   5.828   7.266
  201    HZ1  LYS  26           HZ1      LYS  26 -11.071   6.704   9.402
  202    HZ2  LYS  26           HZ2      LYS  26 -10.353   7.974   8.535
  203    HZ3  LYS  26           HZ3      LYS  26  -9.422   7.054   9.619
  204    H    LEU  27           HN       LEU  27  -5.980   3.231   4.399
  205    HA   LEU  27           HA       LEU  27  -5.816   0.457   5.302
  206    HB2  LEU  27           HB2      LEU  27  -6.140   0.229   3.002
  207    HB3  LEU  27           HB1      LEU  27  -4.959   1.495   2.625
  208    HG   LEU  27           HG       LEU  27  -3.161   0.045   3.429
  209   HD11  LEU  27          HD11      LEU  27  -4.879  -2.360   3.437
  210   HD12  LEU  27          HD12      LEU  27  -5.015  -1.303   4.842
  211   HD13  LEU  27          HD13      LEU  27  -3.449  -1.986   4.399
  212   HD21  LEU  27          HD21      LEU  27  -2.958  -0.856   1.392
  213   HD22  LEU  27          HD22      LEU  27  -4.532  -0.135   1.056
  214   HD23  LEU  27          HD23      LEU  27  -4.425  -1.818   1.574
  215    H    SER  28           HN       SER  28  -3.819  -0.184   6.049
  216    HA   SER  28           HA       SER  28  -1.742   1.862   6.433
  217    HB2  SER  28           HB2      SER  28  -3.018   0.105   8.552
  218    HB3  SER  28           HB1      SER  28  -1.688   1.230   8.837
  219    HG   SER  28           HG       SER  28  -4.335   1.889   8.019
  220    H    LEU  29           HN       LEU  29   0.375   1.002   6.597
  221    HA   LEU  29           HA       LEU  29   0.556  -1.916   6.588
  222    HB2  LEU  29           HB2      LEU  29   2.280  -0.495   4.632
  223    HB3  LEU  29           HB1      LEU  29   1.574  -2.125   4.575
  224    HG   LEU  29           HG       LEU  29  -0.683  -0.805   4.265
  225   HD11  LEU  29          HD11      LEU  29   0.892   1.171   2.774
  226   HD12  LEU  29          HD12      LEU  29   0.892   1.352   4.527
  227   HD13  LEU  29          HD13      LEU  29  -0.634   1.337   3.641
  228   HD21  LEU  29          HD21      LEU  29   1.436  -1.417   2.240
  229   HD22  LEU  29          HD22      LEU  29  -0.074  -0.659   1.734
  230   HD23  LEU  29          HD23      LEU  29  -0.101  -2.230   2.535
  231    H    SER  30           HN       SER  30   2.492  -2.778   7.236
  232    HA   SER  30           HA       SER  30   4.763  -1.121   7.811
  233    HB2  SER  30           HB2      SER  30   4.866  -1.727  10.228
  234    HB3  SER  30           HB1      SER  30   3.492  -0.691   9.846
  235    HG   SER  30           HG       SER  30   2.159  -2.252  10.363
  236    H    MET  31           HN       MET  31   6.260  -2.762   9.340
  237    HA   MET  31           HA       MET  31   6.056  -5.456   8.202
  238    HB2  MET  31           HB2      MET  31   8.478  -5.488   7.715
  239    HB3  MET  31           HB1      MET  31   7.607  -4.293   6.728
  240    HG2  MET  31           HG2      MET  31   8.378  -2.513   8.205
  241    HG3  MET  31           HG1      MET  31   9.230  -3.695   9.200
  242    HE1  MET  31           HE1      MET  31  12.247  -2.192   8.026
  243    HE2  MET  31           HE2      MET  31  10.772  -1.775   8.899
  244    HE3  MET  31           HE3      MET  31  11.094  -1.060   7.319
  245    H    ASN  32           HN       ASN  32   7.599  -6.943   9.309
  246    HA   ASN  32           HA       ASN  32   8.418  -6.136  11.982
  247    HB2  ASN  32           HB2      ASN  32   6.034  -6.917  12.205
  248    HB3  ASN  32           HB1      ASN  32   6.540  -8.486  11.549
  249   HD21  ASN  32          HD21      ASN  32   5.939  -6.813  14.317
  250   HD22  ASN  32          HD22      ASN  32   6.847  -7.784  15.441
  251    H    GLY  33           HN       GLY  33  10.506  -6.497  11.188
  252    HA2  GLY  33           HA2      GLY  33  12.406  -7.833  10.838
  253    HA3  GLY  33           HA1      GLY  33  11.378  -9.272  11.052
  254    H    ASN  34           HN       ASN  34  10.488 -10.246   9.306
  255    HA   ASN  34           HA       ASN  34  10.879  -8.954   6.685
  256    HB2  ASN  34           HB2      ASN  34  11.093 -11.909   7.309
  257    HB3  ASN  34           HB1      ASN  34  11.117 -11.214   5.690
  258   HD21  ASN  34          HD21      ASN  34  13.015 -12.381   8.062
  259   HD22  ASN  34          HD22      ASN  34  14.494 -11.537   7.705
  260    H    GLN  35           HN       GLN  35   8.660  -9.087   8.688
  261    HA   GLN  35           HA       GLN  35   6.626 -10.655   7.316
  262    HB2  GLN  35           HB2      GLN  35   6.866 -10.580   9.840
  263    HB3  GLN  35           HB1      GLN  35   6.306  -8.914   9.758
  264    HG2  GLN  35           HG2      GLN  35   4.495 -10.377  10.360
  265    HG3  GLN  35           HG1      GLN  35   4.201  -9.674   8.771
  266   HE21  GLN  35          HE21      GLN  35   4.020 -12.435  10.511
  267   HE22  GLN  35          HE22      GLN  35   4.083 -13.598   9.219
  268    H    LEU  36           HN       LEU  36   4.663  -9.724   6.563
  269    HA   LEU  36           HA       LEU  36   4.848  -6.850   6.028
  270    HB2  LEU  36           HB2      LEU  36   5.268  -8.007   4.030
  271    HB3  LEU  36           HB1      LEU  36   3.877  -9.075   4.249
  272    HG   LEU  36           HG       LEU  36   3.685  -7.314   2.434
  273   HD11  LEU  36          HD11      LEU  36   1.751  -8.021   4.487
  274   HD12  LEU  36          HD12      LEU  36   1.566  -7.939   2.736
  275   HD13  LEU  36          HD13      LEU  36   1.384  -6.480   3.712
  276   HD21  LEU  36          HD21      LEU  36   4.632  -5.379   3.367
  277   HD22  LEU  36          HD22      LEU  36   3.647  -5.493   4.826
  278   HD23  LEU  36          HD23      LEU  36   2.898  -5.060   3.292
  279    H    LYS  37           HN       LYS  37   3.299  -5.650   6.681
  280    HA   LYS  37           HA       LYS  37   0.932  -6.947   7.858
  281    HB2  LYS  37           HB2      LYS  37   2.524  -4.577   8.870
  282    HB3  LYS  37           HB1      LYS  37   1.212  -5.412   9.724
  283    HG2  LYS  37           HG2      LYS  37   3.860  -6.653   8.951
  284    HG3  LYS  37           HG1      LYS  37   3.478  -5.994  10.554
  285    HD2  LYS  37           HD2      LYS  37   2.170  -8.343   9.183
  286    HD3  LYS  37           HD1      LYS  37   3.239  -8.398  10.578
  287    HE2  LYS  37           HE2      LYS  37   0.460  -7.224  10.462
  288    HE3  LYS  37           HE1      LYS  37   0.970  -8.674  11.318
  289    HZ1  LYS  37           HZ1      LYS  37   2.283  -6.127  11.977
  290    HZ2  LYS  37           HZ2      LYS  37   1.983  -7.479  12.957
  291    HZ3  LYS  37           HZ3      LYS  37   0.717  -6.412  12.568
  292    H    ALA  38           HN       ALA  38  -0.950  -6.179   7.090
  293    HA   ALA  38           HA       ALA  38  -1.120  -3.321   6.450
  294    HB1  ALA  38           HB1      ALA  38  -2.935  -4.727   4.764
  295    HB2  ALA  38           HB2      ALA  38  -1.318  -5.395   4.531
  296    HB3  ALA  38           HB3      ALA  38  -1.599  -3.668   4.312
  297    H    THR  39           HN       THR  39  -3.111  -2.412   6.739
  298    HA   THR  39           HA       THR  39  -5.201  -3.929   8.082
  299    HB   THR  39           HB       THR  39  -5.102  -2.009   9.871
  300    HG1  THR  39           HG1      THR  39  -2.635  -1.863   8.593
  301   HG21  THR  39          HG21      THR  39  -2.823  -3.639  10.532
  302   HG22  THR  39          HG22      THR  39  -4.143  -4.614   9.886
  303   HG23  THR  39          HG23      THR  39  -4.418  -3.571  11.283
  304    H    SER  40           HN       SER  40  -7.191  -3.095   7.693
  305    HA   SER  40           HA       SER  40  -7.304  -0.395   6.483
  306    HB2  SER  40           HB2      SER  40  -8.205  -2.030   4.943
  307    HB3  SER  40           HB1      SER  40  -9.249  -2.691   6.195
  308    HG   SER  40           HG       SER  40  -9.359  -0.046   5.184
  309    H    SER  41           HN       SER  41  -8.221   1.079   7.680
  310    HA   SER  41           HA       SER  41  -9.362   0.193  10.213
  311    HB2  SER  41           HB2      SER  41  -8.567   2.975   9.300
  312    HB3  SER  41           HB1      SER  41  -9.085   2.532  10.935
  313    HG   SER  41           HG       SER  41  -6.676   2.599  10.256
  314    H    ASN  42           HN       ASN  42 -11.275   1.227  11.035
  315    HA   ASN  42           HA       ASN  42 -13.483   1.878  10.928
  316    HB2  ASN  42           HB2      ASN  42 -14.232   3.197   9.266
  317    HB3  ASN  42           HB1      ASN  42 -12.607   3.020   8.517
  318   HD21  ASN  42          HD21      ASN  42 -12.476   2.060   6.613
  319   HD22  ASN  42          HD22      ASN  42 -13.780   1.245   5.790
  320    H    ALA  43           HN       ALA  43 -11.859  -0.552   9.236
  321    HA   ALA  43           HA       ALA  43 -12.217  -2.768   9.065
  322    HB1  ALA  43           HB1      ALA  43 -13.069  -3.205  11.087
  323    HB2  ALA  43           HB2      ALA  43 -14.537  -3.528  10.162
  324    HB3  ALA  43           HB3      ALA  43 -14.321  -1.968  10.957
  325    H    GLY  44           HN       GLY  44 -12.580  -1.894   6.674
  326    HA2  GLY  44           HA2      GLY  44 -13.554  -3.488   5.095
  327    HA3  GLY  44           HA1      GLY  44 -15.113  -3.117   5.877
  328    H    TYR  45           HN       TYR  45 -14.940  -0.268   5.843
  329    HA   TYR  45           HA       TYR  45 -16.104   0.139   3.367
  330    HB2  TYR  45           HB2      TYR  45 -15.078   2.085   5.414
  331    HB3  TYR  45           HB1      TYR  45 -15.836   2.637   3.905
  332    HD1  TYR  45           HD1      TYR  45 -16.932  -0.443   5.595
  333    HD2  TYR  45           HD2      TYR  45 -17.701   3.719   5.105
  334    HE1  TYR  45           HE1      TYR  45 -19.135  -0.727   6.631
  335    HE2  TYR  45           HE2      TYR  45 -19.906   3.433   6.132
  336    HH   TYR  45           HH       TYR  45 -20.892   0.370   7.549
  337    H    GLY  46           HN       GLY  46 -15.633   1.530   1.610
  338    HA2  GLY  46           HA2      GLY  46 -12.826   1.339   0.727
  339    HA3  GLY  46           HA1      GLY  46 -14.235   1.551  -0.309
  340    H    ILE  47           HN       ILE  47 -13.194   3.312  -1.359
  341    HA   ILE  47           HA       ILE  47 -11.906   5.484  -0.304
  342    HB   ILE  47           HB       ILE  47 -13.943   6.036  -2.361
  343   HG12  ILE  47          HG12      ILE  47 -12.278   5.198  -4.126
  344   HG13  ILE  47          HG11      ILE  47 -11.750   4.130  -2.817
  345   HG21  ILE  47          HG21      ILE  47 -12.632   7.719  -2.982
  346   HG22  ILE  47          HG22      ILE  47 -11.174   6.730  -2.888
  347   HG23  ILE  47          HG23      ILE  47 -11.856   7.439  -1.423
  348   HD11  ILE  47          HD11      ILE  47 -14.073   3.952  -4.504
  349   HD12  ILE  47          HD12      ILE  47 -14.512   3.941  -2.794
  350   HD13  ILE  47          HD13      ILE  47 -13.365   2.753  -3.418
  351    H    SER  48           HN       SER  48 -15.201   5.283  -1.265
  352    HA   SER  48           HA       SER  48 -16.659   6.534   0.723
  353    HB2  SER  48           HB2      SER  48 -16.923   8.811  -0.341
  354    HB3  SER  48           HB1      SER  48 -15.313   8.539   0.369
  355    HG   SER  48           HG       SER  48 -15.011   9.420  -1.655
  356    H    TYR  49           HN       TYR  49 -16.386   7.350  -2.661
  357    HA   TYR  49           HA       TYR  49 -17.723   5.101  -3.597
  358    HB2  TYR  49           HB2      TYR  49 -19.597   6.968  -2.803
  359    HB3  TYR  49           HB1      TYR  49 -19.359   7.354  -4.513
  360    HD1  TYR  49           HD1      TYR  49 -21.255   6.381  -5.745
  361    HD2  TYR  49           HD2      TYR  49 -19.359   4.150  -2.623
  362    HE1  TYR  49           HE1      TYR  49 -22.673   4.458  -6.242
  363    HE2  TYR  49           HE2      TYR  49 -20.790   2.229  -3.134
  364    HH   TYR  49           HH       TYR  49 -22.293   1.367  -4.545
  365    H    GLU  50           HN       GLU  50 -15.569   5.408  -4.508
  366    HA   GLU  50           HA       GLU  50 -15.601   7.086  -6.909
  367    HB2  GLU  50           HB2      GLU  50 -13.579   7.107  -4.697
  368    HB3  GLU  50           HB1      GLU  50 -13.141   7.595  -6.323
  369    HG2  GLU  50           HG2      GLU  50 -15.326   8.835  -4.669
  370    HG3  GLU  50           HG1      GLU  50 -13.692   9.472  -4.871
  371    H    ASP  51           HN       ASP  51 -12.882   6.666  -7.527
  372    HA   ASP  51           HA       ASP  51 -12.413   3.815  -7.638
  373    HB2  ASP  51           HB2      ASP  51 -13.738   3.991  -9.573
  374    HB3  ASP  51           HB1      ASP  51 -12.908   5.461 -10.116
  375    H    LYS  52           HN       LYS  52 -10.368   3.403  -7.303
  376    HA   LYS  52           HA       LYS  52  -8.316   5.371  -7.932
  377    HB2  LYS  52           HB2      LYS  52  -9.001   4.295  -5.244
  378    HB3  LYS  52           HB1      LYS  52  -7.352   4.783  -5.609
  379    HG2  LYS  52           HG2      LYS  52  -8.273   6.646  -4.598
  380    HG3  LYS  52           HG1      LYS  52  -8.392   6.989  -6.312
  381    HD2  LYS  52           HD2      LYS  52 -10.783   6.058  -6.153
  382    HD3  LYS  52           HD1      LYS  52 -10.568   6.228  -4.406
  383    HE2  LYS  52           HE2      LYS  52 -10.389   8.420  -6.474
  384    HE3  LYS  52           HE1      LYS  52 -11.638   8.217  -5.247
  385    HZ1  LYS  52           HZ1      LYS  52 -10.358   9.162  -3.678
  386    HZ2  LYS  52           HZ2      LYS  52  -9.485   9.796  -4.991
  387    HZ3  LYS  52           HZ3      LYS  52  -8.938   8.394  -4.215
  388    H    ASN  53           HN       ASN  53  -7.230   4.158  -9.375
  389    HA   ASN  53           HA       ASN  53  -6.685   1.383  -8.908
  390    HB2  ASN  53           HB2      ASN  53  -5.608   3.319 -10.957
  391    HB3  ASN  53           HB1      ASN  53  -5.133   1.612 -10.873
  392   HD21  ASN  53          HD21      ASN  53  -8.295   1.884  -9.843
  393   HD22  ASN  53          HD22      ASN  53  -9.060   1.457 -11.351
  394    H    TRP  54           HN       TRP  54  -5.122   0.519  -7.809
  395    HA   TRP  54           HA       TRP  54  -2.946   2.282  -6.947
  396    HB2  TRP  54           HB2      TRP  54  -4.787   0.677  -5.412
  397    HB3  TRP  54           HB1      TRP  54  -3.116   0.106  -5.171
  398    HD1  TRP  54           HD1      TRP  54  -5.183   3.399  -4.762
  399    HE1  TRP  54           HE1      TRP  54  -3.877   4.859  -3.081
  400    HE3  TRP  54           HE3      TRP  54  -1.110   0.449  -4.178
  401    HZ2  TRP  54           HZ2      TRP  54  -1.353   4.734  -1.729
  402    HZ3  TRP  54           HZ3      TRP  54   0.679   1.176  -2.703
  403    HH2  TRP  54           HH2      TRP  54   0.556   3.265  -1.489
  404    H    GLY  55           HN       GLY  55  -0.885   1.318  -6.544
  405    HA2  GLY  55           HA2      GLY  55  -0.545  -1.372  -7.624
  406    HA3  GLY  55           HA1      GLY  55   0.386  -0.086  -8.381
  407    H    ILE  56           HN       ILE  56   1.348  -2.318  -7.174
  408    HA   ILE  56           HA       ILE  56   3.199  -1.213  -5.152
  409    HB   ILE  56           HB       ILE  56   2.076  -4.053  -5.152
  410   HG12  ILE  56          HG12      ILE  56   1.543  -1.810  -3.178
  411   HG13  ILE  56          HG11      ILE  56   0.379  -2.446  -4.368
  412   HG21  ILE  56          HG21      ILE  56   3.271  -3.565  -2.713
  413   HG22  ILE  56          HG22      ILE  56   4.359  -2.809  -3.877
  414   HG23  ILE  56          HG23      ILE  56   3.940  -4.514  -4.039
  415   HD11  ILE  56          HD11      ILE  56   1.458  -3.744  -1.895
  416   HD12  ILE  56          HD12      ILE  56   0.783  -4.706  -3.208
  417   HD13  ILE  56          HD13      ILE  56  -0.214  -3.503  -2.392
  418    H    PHE  57           HN       PHE  57   5.005  -1.117  -6.370
  419    HA   PHE  57           HA       PHE  57   5.241  -3.060  -8.535
  420    HB2  PHE  57           HB2      PHE  57   6.722  -0.440  -8.239
  421    HB3  PHE  57           HB1      PHE  57   6.647  -1.462  -9.686
  422    HD1  PHE  57           HD1      PHE  57   5.070  -1.004 -11.310
  423    HD2  PHE  57           HD2      PHE  57   4.471   0.547  -7.393
  424    HE1  PHE  57           HE1      PHE  57   3.145   0.310 -12.102
  425    HE2  PHE  57           HE2      PHE  57   2.561   1.815  -8.164
  426    HZ   PHE  57           HZ       PHE  57   1.893   1.720 -10.502
  427    H    VAL  58           HN       VAL  58   6.460  -4.754  -8.074
  428    HA   VAL  58           HA       VAL  58   8.966  -4.351  -6.599
  429    HB   VAL  58           HB       VAL  58   7.599  -6.934  -7.387
  430   HG11  VAL  58          HG11      VAL  58   9.952  -6.618  -5.549
  431   HG12  VAL  58          HG12      VAL  58  10.119  -6.983  -7.270
  432   HG13  VAL  58          HG13      VAL  58   9.269  -8.106  -6.208
  433   HG21  VAL  58          HG21      VAL  58   6.814  -5.281  -5.423
  434   HG22  VAL  58          HG22      VAL  58   8.038  -6.216  -4.563
  435   HG23  VAL  58          HG23      VAL  58   6.677  -7.038  -5.326
  436    H    ASN  59           HN       ASN  59  10.580  -3.792  -7.858
  437    HA   ASN  59           HA       ASN  59  12.093  -3.703  -9.536
  438    HB2  ASN  59           HB2      ASN  59  10.966  -6.410 -10.293
  439    HB3  ASN  59           HB1      ASN  59  12.413  -5.672 -11.018
  440   HD21  ASN  59          HD21      ASN  59  11.459  -7.894  -8.866
  441   HD22  ASN  59          HD22      ASN  59  12.803  -7.866  -7.781
  442    H    GLY  60           HN       GLY  60   9.617  -2.404  -9.874
  443    HA2  GLY  60           HA2      GLY  60   9.152  -0.926 -11.656
  444    HA3  GLY  60           HA1      GLY  60   9.793  -2.149 -12.769
  445    H    GLU  61           HN       GLU  61   8.200  -4.278 -11.782
  446    HA   GLU  61           HA       GLU  61   5.780  -3.648 -13.272
  447    HB2  GLU  61           HB2      GLU  61   5.408  -6.054 -13.311
  448    HB3  GLU  61           HB1      GLU  61   7.070  -5.702 -13.779
  449    HG2  GLU  61           HG2      GLU  61   7.770  -6.242 -11.446
  450    HG3  GLU  61           HG1      GLU  61   6.105  -6.733 -11.120
  451    H    LYS  62           HN       LYS  62   3.628  -4.263 -12.458
  452    HA   LYS  62           HA       LYS  62   3.369  -3.644  -9.635
  453    HB2  LYS  62           HB2      LYS  62   1.179  -4.650 -11.481
  454    HB3  LYS  62           HB1      LYS  62   0.981  -3.822  -9.922
  455    HG2  LYS  62           HG2      LYS  62   2.054  -1.818 -10.977
  456    HG3  LYS  62           HG1      LYS  62   1.919  -2.666 -12.545
  457    HD2  LYS  62           HD2      LYS  62  -0.576  -2.969 -11.861
  458    HD3  LYS  62           HD1      LYS  62  -0.257  -1.659 -10.732
  459    HE2  LYS  62           HE2      LYS  62   0.055  -1.578 -13.729
  460    HE3  LYS  62           HE1      LYS  62  -1.172  -0.750 -12.772
  461    HZ1  LYS  62           HZ1      LYS  62   0.256   0.957 -12.918
  462    HZ2  LYS  62           HZ2      LYS  62   1.587  -0.040 -13.272
  463    HZ3  LYS  62           HZ3      LYS  62   1.084   0.162 -11.667
  464    H    VAL  63           HN       VAL  63   3.344  -5.110  -8.072
  465    HA   VAL  63           HA       VAL  63   3.345  -7.927  -8.825
  466    HB   VAL  63           HB       VAL  63   5.141  -7.080  -7.429
  467   HG11  VAL  63          HG11      VAL  63   3.025  -6.706  -5.320
  468   HG12  VAL  63          HG12      VAL  63   3.925  -5.422  -6.129
  469   HG13  VAL  63          HG13      VAL  63   4.764  -6.558  -5.071
  470   HG21  VAL  63          HG21      VAL  63   3.380  -9.285  -6.533
  471   HG22  VAL  63          HG22      VAL  63   4.765  -8.845  -5.532
  472   HG23  VAL  63          HG23      VAL  63   5.009  -9.330  -7.211
  473    H    TYR  64           HN       TYR  64   1.459  -5.525  -7.234
  474    HA   TYR  64           HA       TYR  64  -0.799  -7.323  -7.125
  475    HB2  TYR  64           HB2      TYR  64   0.187  -7.563  -4.868
  476    HB3  TYR  64           HB1      TYR  64   0.077  -5.801  -4.660
  477    HD1  TYR  64           HD1      TYR  64  -1.589  -5.290  -3.110
  478    HD2  TYR  64           HD2      TYR  64  -2.307  -8.404  -5.922
  479    HE1  TYR  64           HE1      TYR  64  -3.860  -5.542  -2.237
  480    HE2  TYR  64           HE2      TYR  64  -4.587  -8.666  -5.048
  481    HH   TYR  64           HH       TYR  64  -5.656  -7.957  -2.433
  482    H    THR  65           HN       THR  65  -2.686  -6.259  -7.577
  483    HA   THR  65           HA       THR  65  -2.599  -3.331  -7.615
  484    HB   THR  65           HB       THR  65  -4.082  -5.054  -9.486
  485    HG1  THR  65           HG1      THR  65  -1.958  -5.166 -10.055
  486   HG21  THR  65          HG21      THR  65  -5.310  -3.058  -9.398
  487   HG22  THR  65          HG22      THR  65  -4.285  -2.907 -10.821
  488   HG23  THR  65          HG23      THR  65  -3.843  -2.083  -9.327
  489    H    PHE  66           HN       PHE  66  -4.046  -2.395  -6.306
  490    HA   PHE  66           HA       PHE  66  -6.589  -3.789  -5.891
  491    HB2  PHE  66           HB2      PHE  66  -6.658  -3.217  -3.523
  492    HB3  PHE  66           HB1      PHE  66  -5.288  -4.295  -3.912
  493    HD1  PHE  66           HD1      PHE  66  -6.164  -0.726  -3.223
  494    HD2  PHE  66           HD2      PHE  66  -3.142  -3.726  -3.216
  495    HE1  PHE  66           HE1      PHE  66  -4.654   0.799  -2.021
  496    HE2  PHE  66           HE2      PHE  66  -1.632  -2.201  -2.014
  497    HZ   PHE  66           HZ       PHE  66  -2.376   0.065  -1.413
  498    H    ASN  67           HN       ASN  67  -8.248  -2.289  -5.010
  499    HA   ASN  67           HA       ASN  67  -7.798   0.446  -6.009
  500    HB2  ASN  67           HB2      ASN  67  -9.071  -1.162  -7.587
  501    HB3  ASN  67           HB1      ASN  67 -10.369  -1.108  -6.388
  502   HD21  ASN  67          HD21      ASN  67  -9.653   0.004  -9.240
  503   HD22  ASN  67          HD22      ASN  67 -10.342   1.592  -9.181
  504    H    GLU  68           HN       GLU  68  -9.134   2.061  -4.855
  505    HA   GLU  68           HA       GLU  68  -9.696   1.250  -2.189
  506    HB2  GLU  68           HB2      GLU  68 -10.564   3.863  -3.419
  507    HB3  GLU  68           HB1      GLU  68 -10.332   3.472  -1.732
  508    HG2  GLU  68           HG2      GLU  68  -8.098   3.560  -3.743
  509    HG3  GLU  68           HG1      GLU  68  -8.532   4.856  -2.620
  510    H    LYS  69           HN       LYS  69 -11.427   1.313  -5.116
  511    HA   LYS  69           HA       LYS  69 -14.136   1.359  -4.203
  512    HB2  LYS  69           HB2      LYS  69 -12.968  -0.277  -6.464
  513    HB3  LYS  69           HB1      LYS  69 -14.662   0.238  -6.286
  514    HG2  LYS  69           HG2      LYS  69 -13.913   2.587  -6.531
  515    HG3  LYS  69           HG1      LYS  69 -12.270   1.960  -6.845
  516    HD2  LYS  69           HD2      LYS  69 -13.426   2.424  -8.950
  517    HD3  LYS  69           HD1      LYS  69 -13.126   0.697  -8.770
  518    HE2  LYS  69           HE2      LYS  69 -15.368   1.121  -9.641
  519    HE3  LYS  69           HE1      LYS  69 -15.433   0.354  -8.054
  520    HZ1  LYS  69           HZ1      LYS  69 -16.436   2.909  -8.887
  521    HZ2  LYS  69           HZ2      LYS  69 -15.460   3.031  -7.505
  522    HZ3  LYS  69           HZ3      LYS  69 -16.807   2.002  -7.500
  523    H    SER  70           HN       SER  70 -11.775  -1.056  -4.912
  524    HA   SER  70           HA       SER  70 -13.176  -3.298  -3.860
  525    HB2  SER  70           HB2      SER  70 -10.247  -2.874  -4.467
  526    HB3  SER  70           HB1      SER  70 -11.068  -4.450  -4.252
  527    HG   SER  70           HG       SER  70 -11.155  -4.249  -6.386
  528    H    THR  71           HN       THR  71 -13.744  -2.265  -1.893
  529    HA   THR  71           HA       THR  71 -12.821  -0.946   0.026
  530    HB   THR  71           HB       THR  71 -13.701  -2.502   1.687
  531    HG1  THR  71           HG1      THR  71 -12.977  -4.380   0.215
  532   HG21  THR  71          HG21      THR  71 -15.866  -2.923  -0.019
  533   HG22  THR  71          HG22      THR  71 -15.100  -1.431  -0.566
  534   HG23  THR  71          HG23      THR  71 -15.625  -1.590   1.110
  535    H    VAL  72           HN       VAL  72 -10.894  -0.559   0.893
  536    HA   VAL  72           HA       VAL  72  -8.692  -2.107   0.883
  537    HB   VAL  72           HB       VAL  72  -8.202  -0.598   3.094
  538   HG11  VAL  72          HG11      VAL  72  -8.092   0.808   0.488
  539   HG12  VAL  72          HG12      VAL  72  -7.316  -0.778   0.555
  540   HG13  VAL  72          HG13      VAL  72  -6.819   0.492   1.669
  541   HG21  VAL  72          HG21      VAL  72  -9.779   1.289   1.407
  542   HG22  VAL  72          HG22      VAL  72  -9.429   1.337   3.141
  543   HG23  VAL  72          HG23      VAL  72 -10.690   0.267   2.530
  544    H    GLY  73           HN       GLY  73 -11.438  -2.545   2.746
  545    HA2  GLY  73           HA2      GLY  73 -10.330  -3.837   5.027
  546    HA3  GLY  73           HA1      GLY  73 -11.961  -3.969   4.402
  547    H    ASN  74           HN       ASN  74 -12.129  -5.212   2.305
  548    HA   ASN  74           HA       ASN  74 -11.315  -7.860   2.879
  549    HB2  ASN  74           HB2      ASN  74 -12.444  -6.714   0.306
  550    HB3  ASN  74           HB1      ASN  74 -12.339  -8.437   0.702
  551   HD21  ASN  74          HD21      ASN  74 -14.275  -9.209   1.177
  552   HD22  ASN  74          HD22      ASN  74 -15.487  -8.397   2.123
  553    H    ILE  75           HN       ILE  75  -9.885  -5.312   1.098
  554    HA   ILE  75           HA       ILE  75  -8.126  -6.983  -0.464
  555    HB   ILE  75           HB       ILE  75  -8.094  -4.081   0.176
  556   HG12  ILE  75          HG12      ILE  75  -9.903  -4.824  -1.279
  557   HG13  ILE  75          HG11      ILE  75  -8.739  -3.867  -2.217
  558   HG21  ILE  75          HG21      ILE  75  -6.202  -3.716  -1.087
  559   HG22  ILE  75          HG22      ILE  75  -6.378  -5.234  -1.968
  560   HG23  ILE  75          HG23      ILE  75  -5.808  -5.246  -0.302
  561   HD11  ILE  75          HD11      ILE  75  -8.843  -5.557  -3.666
  562   HD12  ILE  75          HD12      ILE  75  -9.521  -6.669  -2.479
  563   HD13  ILE  75          HD13      ILE  75  -7.780  -6.398  -2.539
  564    H    SER  76           HN       SER  76  -7.889  -5.212   2.581
  565    HA   SER  76           HA       SER  76  -5.123  -5.884   2.885
  566    HB2  SER  76           HB2      SER  76  -5.896  -3.911   3.985
  567    HB3  SER  76           HB1      SER  76  -7.143  -4.810   4.857
  568    HG   SER  76           HG       SER  76  -5.116  -6.028   5.639
  569    H    ASN  77           HN       ASN  77  -8.034  -7.548   3.406
  570    HA   ASN  77           HA       ASN  77  -6.938  -9.524   5.193
  571    HB2  ASN  77           HB2      ASN  77  -9.275  -9.658   3.267
  572    HB3  ASN  77           HB1      ASN  77  -8.792 -10.981   4.335
  573   HD21  ASN  77          HD21      ASN  77 -11.022  -8.715   4.042
  574   HD22  ASN  77          HD22      ASN  77 -11.321  -8.329   5.704
  575    H    ASP  78           HN       ASP  78  -6.946  -8.786   1.787
  576    HA   ASP  78           HA       ASP  78  -5.650 -11.261   1.039
  577    HB2  ASP  78           HB2      ASP  78  -6.159  -8.711  -0.500
  578    HB3  ASP  78           HB1      ASP  78  -5.285 -10.103  -1.184
  579    H    ILE  79           HN       ILE  79  -4.620  -8.021   1.917
  580    HA   ILE  79           HA       ILE  79  -1.971  -8.406   0.949
  581    HB   ILE  79           HB       ILE  79  -2.730  -6.451   3.150
  582   HG12  ILE  79          HG12      ILE  79  -2.915  -6.115   0.135
  583   HG13  ILE  79          HG11      ILE  79  -4.306  -6.283   1.230
  584   HG21  ILE  79          HG21      ILE  79  -0.729  -6.130   0.918
  585   HG22  ILE  79          HG22      ILE  79  -0.301  -6.910   2.439
  586   HG23  ILE  79          HG23      ILE  79  -0.843  -5.231   2.431
  587   HD11  ILE  79          HD11      ILE  79  -3.536  -4.187   2.354
  588   HD12  ILE  79          HD12      ILE  79  -4.057  -3.985   0.680
  589   HD13  ILE  79          HD13      ILE  79  -2.336  -4.011   1.074
  590    H    ASN  80           HN       ASN  80  -3.692  -9.552   3.605
  591    HA   ASN  80           HA       ASN  80  -1.561 -10.030   5.423
  592    HB2  ASN  80           HB2      ASN  80  -4.294 -11.251   5.091
  593    HB3  ASN  80           HB1      ASN  80  -3.168 -11.758   6.334
  594   HD21  ASN  80          HD21      ASN  80  -2.533  -8.608   5.893
  595   HD22  ASN  80          HD22      ASN  80  -3.582  -7.915   7.093
  596    H    LYS  81           HN       LYS  81  -2.819 -11.732   2.602
  597    HA   LYS  81           HA       LYS  81  -1.052 -13.962   3.180
  598    HB2  LYS  81           HB2      LYS  81  -2.018 -14.947   1.042
  599    HB3  LYS  81           HB1      LYS  81  -3.073 -14.818   2.436
  600    HG2  LYS  81           HG2      LYS  81  -3.098 -12.609   0.474
  601    HG3  LYS  81           HG1      LYS  81  -3.875 -14.143   0.034
  602    HD2  LYS  81           HD2      LYS  81  -4.428 -12.508   2.511
  603    HD3  LYS  81           HD1      LYS  81  -5.453 -12.581   1.075
  604    HE2  LYS  81           HE2      LYS  81  -5.826 -14.960   1.443
  605    HE3  LYS  81           HE1      LYS  81  -4.761 -14.924   2.848
  606    HZ1  LYS  81           HZ1      LYS  81  -7.152 -13.186   2.694
  607    HZ2  LYS  81           HZ2      LYS  81  -6.283 -13.688   4.071
  608    HZ3  LYS  81           HZ3      LYS  81  -7.264 -14.791   3.234
  609    H    LEU  82           HN       LEU  82  -1.543 -11.590   0.554
  610    HA   LEU  82           HA       LEU  82   0.395 -12.385  -1.178
  611    HB2  LEU  82           HB2      LEU  82  -0.740  -9.737  -0.497
  612    HB3  LEU  82           HB1      LEU  82   0.578  -9.857  -1.675
  613    HG   LEU  82           HG       LEU  82  -1.709  -9.827  -2.639
  614   HD11  LEU  82          HD11      LEU  82  -0.272 -12.382  -3.236
  615   HD12  LEU  82          HD12      LEU  82   0.302 -10.801  -3.767
  616   HD13  LEU  82          HD13      LEU  82  -1.250 -11.414  -4.338
  617   HD21  LEU  82          HD21      LEU  82  -2.937 -11.139  -1.048
  618   HD22  LEU  82          HD22      LEU  82  -1.959 -12.554  -1.447
  619   HD23  LEU  82          HD23      LEU  82  -3.042 -11.861  -2.653
  620    H    ASN  83           HN       ASN  83   0.902 -10.759   1.855
  621    HA   ASN  83           HA       ASN  83   2.733  -9.713   2.796
  622    HB2  ASN  83           HB2      ASN  83   3.674 -12.485   2.106
  623    HB3  ASN  83           HB1      ASN  83   4.634 -11.373   3.089
  624   HD21  ASN  83          HD21      ASN  83   4.347 -11.447   5.169
  625   HD22  ASN  83          HD22      ASN  83   2.958 -12.094   5.991
  626    H    ILE  84           HN       ILE  84   2.993  -8.138   0.996
  627    HA   ILE  84           HA       ILE  84   5.265  -8.685  -0.705
  628    HB   ILE  84           HB       ILE  84   3.560  -6.209  -0.619
  629   HG12  ILE  84          HG12      ILE  84   2.244  -8.215  -1.209
  630   HG13  ILE  84          HG11      ILE  84   2.433  -7.122  -2.603
  631   HG21  ILE  84          HG21      ILE  84   5.861  -6.013  -1.613
  632   HG22  ILE  84          HG22      ILE  84   4.533  -5.626  -2.709
  633   HG23  ILE  84          HG23      ILE  84   5.350  -7.183  -2.831
  634   HD11  ILE  84          HD11      ILE  84   3.535  -9.838  -2.135
  635   HD12  ILE  84          HD12      ILE  84   4.504  -8.699  -3.071
  636   HD13  ILE  84          HD13      ILE  84   2.874  -9.113  -3.602
  637    H    LYS  85           HN       LYS  85   7.107  -8.604   0.436
  638    HA   LYS  85           HA       LYS  85   7.976  -5.953   1.229
  639    HB2  LYS  85           HB2      LYS  85   8.262  -8.327   3.067
  640    HB3  LYS  85           HB1      LYS  85   9.255  -6.888   3.203
  641    HG2  LYS  85           HG2      LYS  85   6.257  -6.986   3.461
  642    HG3  LYS  85           HG1      LYS  85   7.410  -6.864   4.792
  643    HD2  LYS  85           HD2      LYS  85   7.049  -4.843   2.574
  644    HD3  LYS  85           HD1      LYS  85   6.432  -4.685   4.220
  645    HE2  LYS  85           HE2      LYS  85   8.721  -4.710   5.085
  646    HE3  LYS  85           HE1      LYS  85   9.346  -4.896   3.447
  647    HZ1  LYS  85           HZ1      LYS  85   9.446  -2.589   4.246
  648    HZ2  LYS  85           HZ2      LYS  85   7.755  -2.567   4.402
  649    HZ3  LYS  85           HZ3      LYS  85   8.468  -2.745   2.867
  650    H    GLY  86           HN       GLY  86   9.352  -5.732  -0.351
  651    HA2  GLY  86           HA2      GLY  86  11.351  -5.858  -1.455
  652    HA3  GLY  86           HA1      GLY  86  11.858  -7.103  -0.295
  653    HA   PRO  87           HA       PRO  87  13.090  -6.328  -2.382
  654    HB2  PRO  87           HB2      PRO  87  14.176  -6.490  -4.785
  655    HB3  PRO  87           HB1      PRO  87  14.342  -7.817  -3.633
  656    HG2  PRO  87           HG2      PRO  87  12.505  -7.560  -5.979
  657    HG3  PRO  87           HG1      PRO  87  13.451  -8.966  -5.453
  658    HD2  PRO  87           HD2      PRO  87  10.743  -8.536  -4.857
  659    HD3  PRO  87           HD1      PRO  87  11.844  -9.644  -3.977
  660    H    TYR  88           HN       TYR  88  13.713  -4.388  -3.822
  661    HA   TYR  88           HA       TYR  88  12.724  -2.220  -4.053
  662    HB2  TYR  88           HB2      TYR  88  12.734  -3.594  -6.754
  663    HB3  TYR  88           HB1      TYR  88  12.707  -1.818  -6.488
  664    HD1  TYR  88           HD1      TYR  88  14.727  -4.791  -5.408
  665    HD2  TYR  88           HD2      TYR  88  14.710  -0.744  -6.686
  666    HE1  TYR  88           HE1      TYR  88  17.185  -4.766  -5.323
  667    HE2  TYR  88           HE2      TYR  88  17.165  -0.702  -6.614
  668    HH   TYR  88           HH       TYR  88  19.027  -2.117  -6.618
  669    H    ILE  89           HN       ILE  89  10.713  -1.898  -3.136
  670    HA   ILE  89           HA       ILE  89   8.388  -2.562  -4.831
  671    HB   ILE  89           HB       ILE  89   8.430  -1.964  -1.863
  672   HG12  ILE  89          HG12      ILE  89   7.998  -4.572  -3.370
  673   HG13  ILE  89          HG11      ILE  89   9.493  -4.182  -2.478
  674   HG21  ILE  89          HG21      ILE  89   6.230  -2.908  -3.694
  675   HG22  ILE  89          HG22      ILE  89   6.348  -1.328  -2.919
  676   HG23  ILE  89          HG23      ILE  89   6.121  -2.777  -1.939
  677   HD11  ILE  89          HD11      ILE  89   8.364  -4.270  -0.413
  678   HD12  ILE  89          HD12      ILE  89   7.793  -5.667  -1.328
  679   HD13  ILE  89          HD13      ILE  89   6.777  -4.234  -1.181
  680    H    GLU  90           HN       GLU  90   6.914  -1.099  -5.354
  681    HA   GLU  90           HA       GLU  90   7.268   1.677  -4.455
  682    HB2  GLU  90           HB2      GLU  90   6.488   0.766  -7.243
  683    HB3  GLU  90           HB1      GLU  90   6.454   2.446  -6.674
  684    HG2  GLU  90           HG2      GLU  90   8.933   0.735  -6.799
  685    HG3  GLU  90           HG1      GLU  90   8.432   1.868  -8.055
  686    H    ILE  91           HN       ILE  91   5.656   1.413  -2.892
  687    HA   ILE  91           HA       ILE  91   3.015   0.526  -3.735
  688    HB   ILE  91           HB       ILE  91   3.995   1.271  -0.973
  689   HG12  ILE  91          HG12      ILE  91   3.742  -1.419  -2.307
  690   HG13  ILE  91          HG11      ILE  91   5.218  -0.661  -1.714
  691   HG21  ILE  91          HG21      ILE  91   1.518  -0.214  -1.807
  692   HG22  ILE  91          HG22      ILE  91   1.586   1.417  -1.127
  693   HG23  ILE  91          HG23      ILE  91   2.058   0.034  -0.149
  694   HD11  ILE  91          HD11      ILE  91   4.234  -0.773   0.588
  695   HD12  ILE  91          HD12      ILE  91   4.590  -2.334  -0.153
  696   HD13  ILE  91          HD13      ILE  91   2.926  -1.741  -0.097
  697    H    LYS  92           HN       LYS  92   2.053   2.188  -4.862
  698    HA   LYS  92           HA       LYS  92   1.144   4.438  -3.360
  699    HB2  LYS  92           HB2      LYS  92   2.225   6.222  -4.338
  700    HB3  LYS  92           HB1      LYS  92   3.534   5.038  -4.347
  701    HG2  LYS  92           HG2      LYS  92   1.742   5.723  -6.675
  702    HG3  LYS  92           HG1      LYS  92   3.391   6.287  -6.440
  703    HD2  LYS  92           HD2      LYS  92   4.213   3.989  -6.668
  704    HD3  LYS  92           HD1      LYS  92   2.551   3.416  -6.818
  705    HE2  LYS  92           HE2      LYS  92   2.290   4.285  -8.941
  706    HE3  LYS  92           HE1      LYS  92   3.485   5.552  -8.649
  707    HZ1  LYS  92           HZ1      LYS  92   4.232   2.712  -8.955
  708    HZ2  LYS  92           HZ2      LYS  92   5.267   4.052  -8.932
  709    HZ3  LYS  92           HZ3      LYS  92   4.210   3.815 -10.242
  710    H    GLN  93           HN       GLN  93  -0.338   5.846  -4.791
  711    HA   GLN  93           HA       GLN  93  -1.799   4.034  -6.502
  712    HB2  GLN  93           HB2      GLN  93  -3.478   5.705  -6.724
  713    HB3  GLN  93           HB1      GLN  93  -3.057   5.531  -5.015
  714    HG2  GLN  93           HG2      GLN  93  -1.677   7.521  -5.138
  715    HG3  GLN  93           HG1      GLN  93  -2.049   7.665  -6.854
  716   HE21  GLN  93          HE21      GLN  93  -3.564   9.099  -7.301
  717   HE22  GLN  93          HE22      GLN  93  -4.873   9.556  -6.268
  718    H    ILE  94           HN       ILE  94  -2.566   4.782  -8.589
  719    HA   ILE  94           HA       ILE  94  -0.405   6.088 -10.096
  720    HB   ILE  94           HB       ILE  94  -0.730   4.231 -11.730
  721   HG12  ILE  94          HG12      ILE  94  -2.290   3.130  -9.385
  722   HG13  ILE  94          HG11      ILE  94  -2.872   3.463 -11.010
  723   HG21  ILE  94          HG21      ILE  94   0.667   4.235  -9.222
  724   HG22  ILE  94          HG22      ILE  94   1.181   3.606 -10.789
  725   HG23  ILE  94          HG23      ILE  94   0.241   2.588  -9.692
  726   HD11  ILE  94          HD11      ILE  94  -2.390   1.412 -11.634
  727   HD12  ILE  94          HD12      ILE  94  -1.889   1.071  -9.977
  728   HD13  ILE  94          HD13      ILE  94  -0.707   1.638 -11.158
  Start of MODEL    4
    1    H    ASP   1           HT1      ASP   1  20.528   0.772  -8.744
    2    HA   ASP   1           HA       ASP   1  21.878   0.167  -6.992
    3    HB2  ASP   1           HB2      ASP   1  23.639   1.822  -7.486
    4    HB3  ASP   1           HB1      ASP   1  22.636   3.098  -6.800
    5    H    ASN   2           HN       ASN   2  20.196  -0.423  -5.720
    6    HA   ASN   2           HA       ASN   2  18.412   1.621  -4.657
    7    HB2  ASN   2           HB2      ASN   2  17.028  -0.254  -3.891
    8    HB3  ASN   2           HB1      ASN   2  17.413  -0.403  -5.603
    9   HD21  ASN   2          HD21      ASN   2  17.138  -2.080  -2.828
   10   HD22  ASN   2          HD22      ASN   2  18.200  -3.401  -3.166
   11    H    GLN   3           HN       GLN   3  21.168   1.431  -3.641
   12    HA   GLN   3           HA       GLN   3  20.878   0.387  -0.949
   13    HB2  GLN   3           HB2      GLN   3  23.149   1.895  -2.257
   14    HB3  GLN   3           HB1      GLN   3  23.190   1.244  -0.625
   15    HG2  GLN   3           HG2      GLN   3  22.846  -0.390  -3.131
   16    HG3  GLN   3           HG1      GLN   3  24.361  -0.168  -2.258
   17   HE21  GLN   3          HE21      GLN   3  24.874  -1.774  -0.991
   18   HE22  GLN   3          HE22      GLN   3  23.776  -2.837  -0.180
   19    H    LYS   4           HN       LYS   4  21.286   3.570  -2.493
   20    HA   LYS   4           HA       LYS   4  20.274   4.789  -0.011
   21    HB2  LYS   4           HB2      LYS   4  21.984   6.005  -2.193
   22    HB3  LYS   4           HB1      LYS   4  21.276   6.916  -0.867
   23    HG2  LYS   4           HG2      LYS   4  23.244   4.655  -0.561
   24    HG3  LYS   4           HG1      LYS   4  23.639   6.373  -0.486
   25    HD2  LYS   4           HD2      LYS   4  22.158   6.636   1.443
   26    HD3  LYS   4           HD1      LYS   4  21.743   4.922   1.365
   27    HE2  LYS   4           HE2      LYS   4  24.498   6.052   1.859
   28    HE3  LYS   4           HE1      LYS   4  23.427   5.378   3.088
   29    HZ1  LYS   4           HZ1      LYS   4  23.615   3.236   2.160
   30    HZ2  LYS   4           HZ2      LYS   4  25.200   3.850   2.208
   31    HZ3  LYS   4           HZ3      LYS   4  24.350   3.815   0.741
   32    H    ALA   5           HN       ALA   5  19.232   3.648  -2.788
   33    HA   ALA   5           HA       ALA   5  17.741   5.907  -3.753
   34    HB1  ALA   5           HB1      ALA   5  16.966   3.246  -4.718
   35    HB2  ALA   5           HB2      ALA   5  18.660   3.671  -4.970
   36    HB3  ALA   5           HB3      ALA   5  17.386   4.705  -5.616
   37    H    LEU   6           HN       LEU   6  17.365   4.087  -1.119
   38    HA   LEU   6           HA       LEU   6  14.429   4.010  -1.296
   39    HB2  LEU   6           HB2      LEU   6  16.256   2.535   0.608
   40    HB3  LEU   6           HB1      LEU   6  14.509   2.398   0.547
   41    HG   LEU   6           HG       LEU   6  16.429   1.529  -1.621
   42   HD11  LEU   6          HD11      LEU   6  14.720  -0.506  -0.517
   43   HD12  LEU   6          HD12      LEU   6  15.688   0.253   0.746
   44   HD13  LEU   6          HD13      LEU   6  16.478  -0.466  -0.656
   45   HD21  LEU   6          HD21      LEU   6  14.063   2.414  -2.242
   46   HD22  LEU   6          HD22      LEU   6  13.514   0.880  -1.565
   47   HD23  LEU   6          HD23      LEU   6  14.637   0.892  -2.924
   48    H    GLU   7           HN       GLU   7  16.467   6.195  -0.536
   49    HA   GLU   7           HA       GLU   7  16.283   6.703   2.205
   50    HB2  GLU   7           HB2      GLU   7  17.046   8.989   1.638
   51    HB3  GLU   7           HB1      GLU   7  18.012   7.721   0.899
   52    HG2  GLU   7           HG2      GLU   7  16.882   8.062  -1.220
   53    HG3  GLU   7           HG1      GLU   7  15.851   9.292  -0.490
   54    H    GLU   8           HN       GLU   8  13.689   6.687   0.231
   55    HA   GLU   8           HA       GLU   8  12.438   9.077   1.345
   56    HB2  GLU   8           HB2      GLU   8  10.523   8.610  -0.077
   57    HB3  GLU   8           HB1      GLU   8  12.001   8.622  -1.021
   58    HG2  GLU   8           HG2      GLU   8  10.583   6.134  -0.091
   59    HG3  GLU   8           HG1      GLU   8  10.380   6.872  -1.674
   60    H    GLN   9           HN       GLN   9  13.081   6.165   2.393
   61    HA   GLN   9           HA       GLN   9  10.826   4.949   3.455
   62    HB2  GLN   9           HB2      GLN   9  12.487   3.991   5.081
   63    HB3  GLN   9           HB1      GLN   9  12.928   3.842   3.380
   64    HG2  GLN   9           HG2      GLN   9  14.271   5.958   3.673
   65    HG3  GLN   9           HG1      GLN   9  14.004   5.781   5.406
   66   HE21  GLN   9          HE21      GLN   9  15.955   5.061   2.837
   67   HE22  GLN   9          HE22      GLN   9  16.931   3.822   3.577
   68    H    MET  10           HN       MET  10  11.215   7.991   4.051
   69    HA   MET  10           HA       MET  10  10.870   7.948   6.955
   70    HB2  MET  10           HB2      MET  10  12.376   9.660   6.090
   71    HB3  MET  10           HB1      MET  10  11.113  10.268   5.026
   72    HG2  MET  10           HG2      MET  10  11.407  11.680   6.990
   73    HG3  MET  10           HG1      MET  10   9.797  10.962   6.937
   74    HE1  MET  10           HE1      MET  10  11.227  11.938  10.213
   75    HE2  MET  10           HE2      MET  10   9.774  10.977  10.492
   76    HE3  MET  10           HE3      MET  10   9.852  12.075   9.115
   77    H    ASN  11           HN       ASN  11   9.199   9.125   4.037
   78    HA   ASN  11           HA       ASN  11   6.679   9.027   5.581
   79    HB2  ASN  11           HB2      ASN  11   6.841  10.119   2.796
   80    HB3  ASN  11           HB1      ASN  11   5.661  10.452   4.046
   81   HD21  ASN  11          HD21      ASN  11   8.184  11.772   2.435
   82   HD22  ASN  11          HD22      ASN  11   8.659  12.969   3.589
   83    H    SER  12           HN       SER  12   8.659   7.530   3.406
   84    HA   SER  12           HA       SER  12   7.352   6.610   1.342
   85    HB2  SER  12           HB2      SER  12   9.612   5.933   1.779
   86    HB3  SER  12           HB1      SER  12   9.114   5.044   3.230
   87    HG   SER  12           HG       SER  12   9.542   3.813   1.178
   88    H    ILE  13           HN       ILE  13   7.378   4.647   4.277
   89    HA   ILE  13           HA       ILE  13   4.969   3.250   3.447
   90    HB   ILE  13           HB       ILE  13   6.857   2.867   5.743
   91   HG12  ILE  13          HG12      ILE  13   7.860   2.652   3.552
   92   HG13  ILE  13          HG11      ILE  13   7.832   1.087   4.409
   93   HG21  ILE  13          HG21      ILE  13   5.117   0.674   4.727
   94   HG22  ILE  13          HG22      ILE  13   4.395   1.885   5.787
   95   HG23  ILE  13          HG23      ILE  13   5.767   0.928   6.348
   96   HD11  ILE  13          HD11      ILE  13   6.900   0.218   2.591
   97   HD12  ILE  13          HD12      ILE  13   6.724   1.810   1.852
   98   HD13  ILE  13          HD13      ILE  13   5.466   1.189   2.921
   99    H    ASN  14           HN       ASN  14   5.803   5.903   5.275
  100    HA   ASN  14           HA       ASN  14   3.607   5.631   7.180
  101    HB2  ASN  14           HB2      ASN  14   5.685   7.788   6.831
  102    HB3  ASN  14           HB1      ASN  14   4.356   7.907   7.980
  103   HD21  ASN  14          HD21      ASN  14   7.507   7.114   7.708
  104   HD22  ASN  14          HD22      ASN  14   7.650   6.018   9.038
  105    H    SER  15           HN       SER  15   4.515   8.191   4.815
  106    HA   SER  15           HA       SER  15   1.910   9.283   4.795
  107    HB2  SER  15           HB2      SER  15   2.546  10.621   2.913
  108    HB3  SER  15           HB1      SER  15   3.874  10.600   4.076
  109    HG   SER  15           HG       SER  15   4.682   8.766   2.699
  110    H    VAL  16           HN       VAL  16   3.256   6.502   3.374
  111    HA   VAL  16           HA       VAL  16   1.708   6.199   1.042
  112    HB   VAL  16           HB       VAL  16   3.633   4.709   2.080
  113   HG11  VAL  16          HG11      VAL  16   1.192   3.206   3.004
  114   HG12  VAL  16          HG12      VAL  16   2.374   4.008   4.046
  115   HG13  VAL  16          HG13      VAL  16   2.863   2.636   3.052
  116   HG21  VAL  16          HG21      VAL  16   2.546   4.445  -0.166
  117   HG22  VAL  16          HG22      VAL  16   1.470   3.272   0.600
  118   HG23  VAL  16          HG23      VAL  16   3.211   2.985   0.568
  119    H    ASN  17           HN       ASN  17   0.965   6.098   4.363
  120    HA   ASN  17           HA       ASN  17  -1.580   4.726   4.041
  121    HB2  ASN  17           HB2      ASN  17  -0.182   5.854   6.474
  122    HB3  ASN  17           HB1      ASN  17  -1.784   5.125   6.522
  123   HD21  ASN  17          HD21      ASN  17  -0.325   3.435   4.210
  124   HD22  ASN  17          HD22      ASN  17   0.388   2.166   5.130
  125    H    ASP  18           HN       ASP  18  -0.263   7.901   4.304
  126    HA   ASP  18           HA       ASP  18  -2.632   9.321   4.986
  127    HB2  ASP  18           HB2      ASP  18  -0.204  10.124   3.359
  128    HB3  ASP  18           HB1      ASP  18  -1.469  11.247   3.816
  129    H    LYS  19           HN       LYS  19  -1.805   7.560   2.156
  130    HA   LYS  19           HA       LYS  19  -3.678   9.051   0.449
  131    HB2  LYS  19           HB2      LYS  19  -2.108   6.524  -0.054
  132    HB3  LYS  19           HB1      LYS  19  -3.363   7.089  -1.128
  133    HG2  LYS  19           HG2      LYS  19  -1.334   7.717  -2.108
  134    HG3  LYS  19           HG1      LYS  19  -2.050   9.195  -1.458
  135    HD2  LYS  19           HD2      LYS  19   0.056   7.631   0.015
  136    HD3  LYS  19           HD1      LYS  19   0.446   8.858  -1.178
  137    HE2  LYS  19           HE2      LYS  19  -1.137   9.271   1.341
  138    HE3  LYS  19           HE1      LYS  19   0.536   9.749   1.080
  139    HZ1  LYS  19           HZ1      LYS  19  -0.344  11.124  -0.842
  140    HZ2  LYS  19           HZ2      LYS  19  -0.731  11.678   0.718
  141    HZ3  LYS  19           HZ3      LYS  19  -1.901  10.859  -0.210
  142    H    LEU  20           HN       LEU  20  -3.121   5.886   1.668
  143    HA   LEU  20           HA       LEU  20  -5.445   4.630   1.026
  144    HB2  LEU  20           HB2      LEU  20  -3.709   4.285   3.455
  145    HB3  LEU  20           HB1      LEU  20  -4.747   3.047   2.753
  146    HG   LEU  20           HG       LEU  20  -2.355   4.287   1.375
  147   HD11  LEU  20          HD11      LEU  20  -1.047   2.750   2.281
  148   HD12  LEU  20          HD12      LEU  20  -2.193   1.460   1.911
  149   HD13  LEU  20          HD13      LEU  20  -2.364   2.391   3.400
  150   HD21  LEU  20          HD21      LEU  20  -2.702   2.791  -0.389
  151   HD22  LEU  20          HD22      LEU  20  -4.303   3.440  -0.036
  152   HD23  LEU  20          HD23      LEU  20  -3.858   1.831   0.534
  153    H    ASN  21           HN       ASN  21  -4.608   6.462   3.888
  154    HA   ASN  21           HA       ASN  21  -7.089   6.019   5.243
  155    HB2  ASN  21           HB2      ASN  21  -4.620   7.645   5.775
  156    HB3  ASN  21           HB1      ASN  21  -6.051   7.867   6.779
  157   HD21  ASN  21          HD21      ASN  21  -3.185   6.351   6.614
  158   HD22  ASN  21          HD22      ASN  21  -3.508   4.964   7.617
  159    H    LYS  22           HN       LYS  22  -8.859   6.971   4.141
  160    HA   LYS  22           HA       LYS  22  -8.472   9.856   3.599
  161    HB2  LYS  22           HB2      LYS  22  -9.851   7.820   1.886
  162    HB3  LYS  22           HB1      LYS  22 -10.133   9.557   1.696
  163    HG2  LYS  22           HG2      LYS  22  -7.764   9.911   1.296
  164    HG3  LYS  22           HG1      LYS  22  -7.451   8.191   1.528
  165    HD2  LYS  22           HD2      LYS  22  -8.779   7.653  -0.407
  166    HD3  LYS  22           HD1      LYS  22  -9.213   9.355  -0.627
  167    HE2  LYS  22           HE2      LYS  22  -6.851   9.898  -0.991
  168    HE3  LYS  22           HE1      LYS  22  -6.424   8.204  -0.760
  169    HZ1  LYS  22           HZ1      LYS  22  -6.589   8.950  -3.113
  170    HZ2  LYS  22           HZ2      LYS  22  -8.260   9.141  -2.893
  171    HZ3  LYS  22           HZ3      LYS  22  -7.550   7.600  -2.732
  172    H    GLY  23           HN       GLY  23 -10.996   7.508   4.483
  173    HA2  GLY  23           HA2      GLY  23 -12.252   9.296   6.196
  174    HA3  GLY  23           HA1      GLY  23 -13.037   9.387   4.611
  175    H    LYS  24           HN       LYS  24 -14.164   7.548   3.822
  176    HA   LYS  24           HA       LYS  24 -15.550   6.083   5.788
  177    HB2  LYS  24           HB2      LYS  24 -16.430   6.512   3.503
  178    HB3  LYS  24           HB1      LYS  24 -15.230   5.364   2.850
  179    HG2  LYS  24           HG2      LYS  24 -16.299   3.557   3.688
  180    HG3  LYS  24           HG1      LYS  24 -17.071   4.441   5.009
  181    HD2  LYS  24           HD2      LYS  24 -18.737   3.771   3.407
  182    HD3  LYS  24           HD1      LYS  24 -18.533   5.523   3.340
  183    HE2  LYS  24           HE2      LYS  24 -17.185   5.327   1.343
  184    HE3  LYS  24           HE1      LYS  24 -17.240   3.567   1.445
  185    HZ1  LYS  24           HZ1      LYS  24 -18.858   4.073  -0.109
  186    HZ2  LYS  24           HZ2      LYS  24 -19.412   5.448   0.733
  187    HZ3  LYS  24           HZ3      LYS  24 -19.765   3.888   1.317
  188    H    GLY  25           HN       GLY  25 -13.265   4.920   3.359
  189    HA2  GLY  25           HA2      GLY  25 -12.393   2.926   5.310
  190    HA3  GLY  25           HA1      GLY  25 -12.420   2.599   3.598
  191    H    LYS  26           HN       LYS  26 -10.278   2.363   5.367
  192    HA   LYS  26           HA       LYS  26  -8.334   4.202   4.167
  193    HB2  LYS  26           HB2      LYS  26  -7.509   4.419   6.638
  194    HB3  LYS  26           HB1      LYS  26  -8.860   5.404   6.059
  195    HG2  LYS  26           HG2      LYS  26 -10.341   3.535   6.778
  196    HG3  LYS  26           HG1      LYS  26  -8.956   2.907   7.681
  197    HD2  LYS  26           HD2      LYS  26 -10.361   4.281   9.142
  198    HD3  LYS  26           HD1      LYS  26  -8.795   5.063   8.884
  199    HE2  LYS  26           HE2      LYS  26  -9.721   6.589   7.318
  200    HE3  LYS  26           HE1      LYS  26 -11.250   5.710   7.266
  201    HZ1  LYS  26           HZ1      LYS  26 -11.756   6.401   9.469
  202    HZ2  LYS  26           HZ2      LYS  26 -11.242   7.793   8.637
  203    HZ3  LYS  26           HZ3      LYS  26 -10.189   7.015   9.720
  204    H    LEU  27           HN       LEU  27  -6.077   3.503   4.583
  205    HA   LEU  27           HA       LEU  27  -5.869   0.705   5.407
  206    HB2  LEU  27           HB2      LEU  27  -6.105   0.534   3.096
  207    HB3  LEU  27           HB1      LEU  27  -4.947   1.843   2.795
  208    HG   LEU  27           HG       LEU  27  -3.133   0.409   3.653
  209   HD11  LEU  27          HD11      LEU  27  -5.338  -1.214   4.525
  210   HD12  LEU  27          HD12      LEU  27  -3.620  -1.381   4.888
  211   HD13  LEU  27          HD13      LEU  27  -4.297  -2.154   3.456
  212   HD21  LEU  27          HD21      LEU  27  -4.377   0.297   1.197
  213   HD22  LEU  27          HD22      LEU  27  -4.231  -1.403   1.648
  214   HD23  LEU  27          HD23      LEU  27  -2.797  -0.379   1.590
  215    H    SER  28           HN       SER  28  -3.866   0.044   6.100
  216    HA   SER  28           HA       SER  28  -1.801   2.073   6.613
  217    HB2  SER  28           HB2      SER  28  -2.907   0.030   8.569
  218    HB3  SER  28           HB1      SER  28  -1.621   1.188   8.915
  219    HG   SER  28           HG       SER  28  -4.306   1.529   9.023
  220    H    LEU  29           HN       LEU  29   0.336   1.150   6.804
  221    HA   LEU  29           HA       LEU  29   0.502  -1.729   6.370
  222    HB2  LEU  29           HB2      LEU  29   2.211   0.141   4.745
  223    HB3  LEU  29           HB1      LEU  29   2.012  -1.625   4.597
  224    HG   LEU  29           HG       LEU  29  -0.280   0.253   4.087
  225   HD11  LEU  29          HD11      LEU  29   1.070  -0.848   1.737
  226   HD12  LEU  29          HD12      LEU  29   2.055   0.319   2.620
  227   HD13  LEU  29          HD13      LEU  29   0.459   0.781   2.026
  228   HD21  LEU  29          HD21      LEU  29  -0.800  -1.754   2.537
  229   HD22  LEU  29          HD22      LEU  29  -1.080  -1.907   4.272
  230   HD23  LEU  29          HD23      LEU  29   0.362  -2.616   3.545
  231    H    SER  30           HN       SER  30   2.455  -2.648   7.080
  232    HA   SER  30           HA       SER  30   4.615  -1.044   8.023
  233    HB2  SER  30           HB2      SER  30   2.999  -0.828   9.929
  234    HB3  SER  30           HB1      SER  30   3.029  -2.582  10.109
  235    HG   SER  30           HG       SER  30   4.578  -0.996  11.347
  236    H    MET  31           HN       MET  31   5.944  -2.823   9.573
  237    HA   MET  31           HA       MET  31   5.879  -5.407   8.206
  238    HB2  MET  31           HB2      MET  31   8.401  -5.256   7.920
  239    HB3  MET  31           HB1      MET  31   7.413  -4.278   6.813
  240    HG2  MET  31           HG2      MET  31   9.281  -2.968   7.496
  241    HG3  MET  31           HG1      MET  31   7.845  -2.311   8.274
  242    HE1  MET  31           HE1      MET  31  11.127  -4.318   8.668
  243    HE2  MET  31           HE2      MET  31  10.003  -5.507   9.324
  244    HE3  MET  31           HE3      MET  31  11.163  -4.713  10.387
  245    H    ASN  32           HN       ASN  32   7.407  -6.949   9.189
  246    HA   ASN  32           HA       ASN  32   7.975  -6.461  12.016
  247    HB2  ASN  32           HB2      ASN  32   5.645  -7.391  11.863
  248    HB3  ASN  32           HB1      ASN  32   6.312  -8.812  11.039
  249   HD21  ASN  32          HD21      ASN  32   5.241  -7.722  13.907
  250   HD22  ASN  32          HD22      ASN  32   6.116  -8.777  14.979
  251    H    GLY  33           HN       GLY  33  10.165  -6.609  11.434
  252    HA2  GLY  33           HA2      GLY  33  12.166  -7.779  11.121
  253    HA3  GLY  33           HA1      GLY  33  11.221  -9.288  11.092
  254    H    ASN  34           HN       ASN  34  10.579 -10.139   9.171
  255    HA   ASN  34           HA       ASN  34  11.400  -8.682   6.734
  256    HB2  ASN  34           HB2      ASN  34  11.225 -11.669   7.207
  257    HB3  ASN  34           HB1      ASN  34  11.553 -10.925   5.648
  258   HD21  ASN  34          HD21      ASN  34  13.021  -8.939   7.745
  259   HD22  ASN  34          HD22      ASN  34  14.604  -9.661   7.787
  260    H    GLN  35           HN       GLN  35   8.806  -9.194   8.494
  261    HA   GLN  35           HA       GLN  35   7.036 -10.379   6.547
  262    HB2  GLN  35           HB2      GLN  35   6.960 -10.765   9.055
  263    HB3  GLN  35           HB1      GLN  35   6.323  -9.125   9.196
  264    HG2  GLN  35           HG2      GLN  35   4.371  -9.726   7.919
  265    HG3  GLN  35           HG1      GLN  35   5.017 -11.340   7.626
  266   HE21  GLN  35          HE21      GLN  35   5.974 -10.633  10.646
  267   HE22  GLN  35          HE22      GLN  35   4.640 -11.288  11.550
  268    H    LEU  36           HN       LEU  36   4.982  -9.391   5.973
  269    HA   LEU  36           HA       LEU  36   5.082  -6.460   5.781
  270    HB2  LEU  36           HB2      LEU  36   5.572  -7.219   3.661
  271    HB3  LEU  36           HB1      LEU  36   4.416  -8.542   3.725
  272    HG   LEU  36           HG       LEU  36   3.849  -6.762   2.083
  273   HD11  LEU  36          HD11      LEU  36   2.110  -7.931   4.006
  274   HD12  LEU  36          HD12      LEU  36   1.765  -7.447   2.345
  275   HD13  LEU  36          HD13      LEU  36   1.542  -6.298   3.662
  276   HD21  LEU  36          HD21      LEU  36   2.713  -4.794   3.754
  277   HD22  LEU  36          HD22      LEU  36   4.054  -4.623   2.620
  278   HD23  LEU  36          HD23      LEU  36   4.372  -5.031   4.306
  279    H    LYS  37           HN       LYS  37   3.369  -5.406   6.487
  280    HA   LYS  37           HA       LYS  37   1.014  -6.987   7.289
  281    HB2  LYS  37           HB2      LYS  37   2.472  -4.881   8.906
  282    HB3  LYS  37           HB1      LYS  37   1.082  -5.848   9.446
  283    HG2  LYS  37           HG2      LYS  37   3.782  -6.964   8.682
  284    HG3  LYS  37           HG1      LYS  37   3.266  -6.611  10.345
  285    HD2  LYS  37           HD2      LYS  37   2.032  -8.619   8.452
  286    HD3  LYS  37           HD1      LYS  37   3.047  -8.985   9.835
  287    HE2  LYS  37           HE2      LYS  37   0.802  -9.418  10.483
  288    HE3  LYS  37           HE1      LYS  37   1.303  -7.944  11.299
  289    HZ1  LYS  37           HZ1      LYS  37  -0.169  -7.795   8.744
  290    HZ2  LYS  37           HZ2      LYS  37  -0.077  -6.646   9.992
  291    HZ3  LYS  37           HZ3      LYS  37  -1.006  -8.048  10.195
  292    H    ALA  38           HN       ALA  38  -0.792  -6.135   6.496
  293    HA   ALA  38           HA       ALA  38  -1.018  -3.216   6.214
  294    HB1  ALA  38           HB1      ALA  38  -1.353  -5.158   4.246
  295    HB2  ALA  38           HB2      ALA  38  -1.858  -3.470   4.167
  296    HB3  ALA  38           HB3      ALA  38  -2.993  -4.704   4.717
  297    H    THR  39           HN       THR  39  -2.948  -2.270   6.783
  298    HA   THR  39           HA       THR  39  -5.008  -3.841   8.086
  299    HB   THR  39           HB       THR  39  -4.942  -2.105  10.011
  300    HG1  THR  39           HG1      THR  39  -2.242  -1.973   9.174
  301   HG21  THR  39          HG21      THR  39  -2.577  -3.840  10.298
  302   HG22  THR  39          HG22      THR  39  -4.120  -4.632   9.973
  303   HG23  THR  39          HG23      THR  39  -3.946  -3.586  11.383
  304    H    SER  40           HN       SER  40  -6.980  -3.018   7.685
  305    HA   SER  40           HA       SER  40  -7.171  -0.264   6.586
  306    HB2  SER  40           HB2      SER  40  -8.000  -1.918   5.024
  307    HB3  SER  40           HB1      SER  40  -9.021  -2.637   6.271
  308    HG   SER  40           HG       SER  40  -9.233   0.053   5.388
  309    H    SER  41           HN       SER  41  -8.300   1.140   7.739
  310    HA   SER  41           HA       SER  41  -9.323   0.148  10.276
  311    HB2  SER  41           HB2      SER  41  -7.794   2.085  10.323
  312    HB3  SER  41           HB1      SER  41  -8.916   3.001   9.311
  313    HG   SER  41           HG       SER  41  -9.099   3.472  11.577
  314    H    ASN  42           HN       ASN  42 -11.367   0.561  10.978
  315    HA   ASN  42           HA       ASN  42 -13.660   0.762  10.888
  316    HB2  ASN  42           HB2      ASN  42 -14.872   1.751   9.207
  317    HB3  ASN  42           HB1      ASN  42 -13.258   2.447   8.830
  318   HD21  ASN  42          HD21      ASN  42 -12.804   2.407   6.779
  319   HD22  ASN  42          HD22      ASN  42 -13.329   1.221   5.612
  320    H    ALA  43           HN       ALA  43 -11.529  -1.078   9.057
  321    HA   ALA  43           HA       ALA  43 -11.408  -3.255   8.493
  322    HB1  ALA  43           HB1      ALA  43 -13.505  -4.524   9.791
  323    HB2  ALA  43           HB2      ALA  43 -13.112  -3.140  10.811
  324    HB3  ALA  43           HB3      ALA  43 -11.858  -4.305  10.384
  325    H    GLY  44           HN       GLY  44 -12.488  -2.052   6.388
  326    HA2  GLY  44           HA2      GLY  44 -13.168  -3.539   4.591
  327    HA3  GLY  44           HA1      GLY  44 -14.533  -4.037   5.627
  328    H    TYR  45           HN       TYR  45 -13.517  -0.702   5.021
  329    HA   TYR  45           HA       TYR  45 -15.794  -0.435   3.191
  330    HB2  TYR  45           HB2      TYR  45 -15.018   1.509   5.375
  331    HB3  TYR  45           HB1      TYR  45 -15.926   2.019   3.943
  332    HD1  TYR  45           HD1      TYR  45 -16.294  -1.155   5.881
  333    HD2  TYR  45           HD2      TYR  45 -18.050   2.601   4.897
  334    HE1  TYR  45           HE1      TYR  45 -18.362  -1.826   7.008
  335    HE2  TYR  45           HE2      TYR  45 -20.116   1.926   6.022
  336    HH   TYR  45           HH       TYR  45 -21.021  -0.964   6.637
  337    H    GLY  46           HN       GLY  46 -15.511   1.276   1.594
  338    HA2  GLY  46           HA2      GLY  46 -12.664   1.550   0.902
  339    HA3  GLY  46           HA1      GLY  46 -14.022   1.735  -0.217
  340    H    ILE  47           HN       ILE  47 -12.289   3.729  -0.419
  341    HA   ILE  47           HA       ILE  47 -12.200   5.875   1.293
  342    HB   ILE  47           HB       ILE  47 -12.749   6.121  -1.647
  343   HG12  ILE  47          HG12      ILE  47 -10.987   4.515  -1.400
  344   HG13  ILE  47          HG11      ILE  47 -10.284   6.050  -1.923
  345   HG21  ILE  47          HG21      ILE  47 -12.514   8.108   0.145
  346   HG22  ILE  47          HG22      ILE  47 -11.996   8.253  -1.536
  347   HG23  ILE  47          HG23      ILE  47 -10.816   7.882  -0.279
  348   HD11  ILE  47          HD11      ILE  47  -8.840   5.188  -0.278
  349   HD12  ILE  47          HD12      ILE  47 -10.178   4.802   0.805
  350   HD13  ILE  47          HD13      ILE  47  -9.746   6.485   0.504
  351    H    SER  48           HN       SER  48 -14.478   5.320  -1.292
  352    HA   SER  48           HA       SER  48 -16.818   5.879   0.066
  353    HB2  SER  48           HB2      SER  48 -15.780   8.192   0.151
  354    HB3  SER  48           HB1      SER  48 -15.872   8.228  -1.625
  355    HG   SER  48           HG       SER  48 -17.957   8.293   0.285
  356    H    TYR  49           HN       TYR  49 -17.979   7.303  -2.329
  357    HA   TYR  49           HA       TYR  49 -18.006   5.080  -4.209
  358    HB2  TYR  49           HB2      TYR  49 -19.419   6.835  -5.543
  359    HB3  TYR  49           HB1      TYR  49 -20.129   5.943  -4.189
  360    HD1  TYR  49           HD1      TYR  49 -17.885   8.960  -4.226
  361    HD2  TYR  49           HD2      TYR  49 -21.736   7.411  -3.222
  362    HE1  TYR  49           HE1      TYR  49 -18.469  11.084  -3.151
  363    HE2  TYR  49           HE2      TYR  49 -22.307   9.532  -2.156
  364    HH   TYR  49           HH       TYR  49 -20.387  11.637  -1.090
  365    H    GLU  50           HN       GLU  50 -15.723   5.227  -4.574
  366    HA   GLU  50           HA       GLU  50 -15.013   7.409  -6.402
  367    HB2  GLU  50           HB2      GLU  50 -13.354   6.032  -4.305
  368    HB3  GLU  50           HB1      GLU  50 -12.670   7.090  -5.523
  369    HG2  GLU  50           HG2      GLU  50 -14.693   7.861  -3.437
  370    HG3  GLU  50           HG1      GLU  50 -12.967   8.228  -3.441
  371    H    ASP  51           HN       ASP  51 -12.542   6.586  -7.101
  372    HA   ASP  51           HA       ASP  51 -12.332   3.868  -7.751
  373    HB2  ASP  51           HB2      ASP  51 -13.780   4.076  -9.524
  374    HB3  ASP  51           HB1      ASP  51 -13.131   5.657 -10.010
  375    H    LYS  52           HN       LYS  52 -10.388   3.382  -7.524
  376    HA   LYS  52           HA       LYS  52  -8.236   5.137  -8.399
  377    HB2  LYS  52           HB2      LYS  52  -8.635   4.084  -5.623
  378    HB3  LYS  52           HB1      LYS  52  -7.080   4.641  -6.208
  379    HG2  LYS  52           HG2      LYS  52  -7.948   6.417  -4.987
  380    HG3  LYS  52           HG1      LYS  52  -8.223   6.845  -6.670
  381    HD2  LYS  52           HD2      LYS  52 -10.571   6.103  -6.459
  382    HD3  LYS  52           HD1      LYS  52 -10.261   5.719  -4.760
  383    HE2  LYS  52           HE2      LYS  52 -11.335   7.940  -5.096
  384    HE3  LYS  52           HE1      LYS  52  -9.793   8.006  -4.242
  385    HZ1  LYS  52           HZ1      LYS  52  -8.884   9.237  -5.840
  386    HZ2  LYS  52           HZ2      LYS  52 -10.461   9.504  -6.411
  387    HZ3  LYS  52           HZ3      LYS  52  -9.507   8.274  -7.092
  388    H    ASN  53           HN       ASN  53  -6.981   3.908  -9.649
  389    HA   ASN  53           HA       ASN  53  -6.797   1.057  -9.033
  390    HB2  ASN  53           HB2      ASN  53  -5.799   2.648 -11.401
  391    HB3  ASN  53           HB1      ASN  53  -5.448   0.926 -11.150
  392   HD21  ASN  53          HD21      ASN  53  -8.469   1.604  -9.887
  393   HD22  ASN  53          HD22      ASN  53  -9.415   1.091 -11.256
  394    H    TRP  54           HN       TRP  54  -5.034   0.134  -8.202
  395    HA   TRP  54           HA       TRP  54  -2.828   1.952  -7.519
  396    HB2  TRP  54           HB2      TRP  54  -4.661   0.531  -5.817
  397    HB3  TRP  54           HB1      TRP  54  -3.010  -0.081  -5.566
  398    HD1  TRP  54           HD1      TRP  54  -4.814   3.387  -5.585
  399    HE1  TRP  54           HE1      TRP  54  -3.518   4.880  -3.921
  400    HE3  TRP  54           HE3      TRP  54  -1.134   0.136  -4.351
  401    HZ2  TRP  54           HZ2      TRP  54  -1.158   4.656  -2.334
  402    HZ3  TRP  54           HZ3      TRP  54   0.588   0.835  -2.776
  403    HH2  TRP  54           HH2      TRP  54   0.566   3.042  -1.783
  404    H    GLY  55           HN       GLY  55  -0.770   0.940  -7.014
  405    HA2  GLY  55           HA2      GLY  55  -0.536  -1.845  -7.815
  406    HA3  GLY  55           HA1      GLY  55   0.403  -0.705  -8.757
  407    H    ILE  56           HN       ILE  56   1.264  -2.828  -7.274
  408    HA   ILE  56           HA       ILE  56   3.223  -1.598  -5.420
  409    HB   ILE  56           HB       ILE  56   2.055  -4.410  -5.209
  410   HG12  ILE  56          HG12      ILE  56   1.548  -2.042  -3.381
  411   HG13  ILE  56          HG11      ILE  56   0.393  -2.663  -4.586
  412   HG21  ILE  56          HG21      ILE  56   4.186  -2.921  -3.766
  413   HG22  ILE  56          HG22      ILE  56   4.119  -4.614  -4.257
  414   HG23  ILE  56          HG23      ILE  56   3.197  -4.065  -2.858
  415   HD11  ILE  56          HD11      ILE  56  -0.317  -3.604  -2.588
  416   HD12  ILE  56          HD12      ILE  56   1.327  -3.924  -2.034
  417   HD13  ILE  56          HD13      ILE  56   0.630  -4.892  -3.334
  418    H    PHE  57           HN       PHE  57   5.064  -1.686  -6.583
  419    HA   PHE  57           HA       PHE  57   5.237  -3.751  -8.650
  420    HB2  PHE  57           HB2      PHE  57   6.787  -1.159  -8.494
  421    HB3  PHE  57           HB1      PHE  57   6.751  -2.287  -9.860
  422    HD1  PHE  57           HD1      PHE  57   5.315  -1.868 -11.596
  423    HD2  PHE  57           HD2      PHE  57   4.479  -0.164  -7.789
  424    HE1  PHE  57           HE1      PHE  57   3.432  -0.612 -12.560
  425    HE2  PHE  57           HE2      PHE  57   2.609   1.077  -8.740
  426    HZ   PHE  57           HZ       PHE  57   2.052   0.833 -11.118
  427    H    VAL  58           HN       VAL  58   6.343  -5.443  -8.019
  428    HA   VAL  58           HA       VAL  58   8.821  -5.102  -6.509
  429    HB   VAL  58           HB       VAL  58   7.354  -7.619  -7.339
  430   HG11  VAL  58          HG11      VAL  58   9.687  -7.500  -5.455
  431   HG12  VAL  58          HG12      VAL  58   9.907  -7.756  -7.189
  432   HG13  VAL  58          HG13      VAL  58   8.966  -8.908  -6.241
  433   HG21  VAL  58          HG21      VAL  58   7.846  -6.908  -4.513
  434   HG22  VAL  58          HG22      VAL  58   6.452  -7.692  -5.261
  435   HG23  VAL  58          HG23      VAL  58   6.652  -5.943  -5.381
  436    H    ASN  59           HN       ASN  59  10.380  -4.418  -7.785
  437    HA   ASN  59           HA       ASN  59  11.930  -4.285  -9.423
  438    HB2  ASN  59           HB2      ASN  59  11.163  -7.172  -9.927
  439    HB3  ASN  59           HB1      ASN  59  12.558  -6.347 -10.665
  440   HD21  ASN  59          HD21      ASN  59  14.404  -6.717  -9.680
  441   HD22  ASN  59          HD22      ASN  59  14.616  -7.082  -8.002
  442    H    GLY  60           HN       GLY  60   9.594  -3.118 -10.064
  443    HA2  GLY  60           HA2      GLY  60   9.147  -1.964 -12.069
  444    HA3  GLY  60           HA1      GLY  60   9.762  -3.372 -12.955
  445    H    GLU  61           HN       GLU  61   8.114  -5.273 -11.622
  446    HA   GLU  61           HA       GLU  61   5.741  -4.800 -13.232
  447    HB2  GLU  61           HB2      GLU  61   5.277  -7.183 -12.927
  448    HB3  GLU  61           HB1      GLU  61   6.924  -6.929 -13.496
  449    HG2  GLU  61           HG2      GLU  61   7.745  -7.239 -11.197
  450    HG3  GLU  61           HG1      GLU  61   6.087  -7.534 -10.666
  451    H    LYS  62           HN       LYS  62   3.617  -4.938 -12.493
  452    HA   LYS  62           HA       LYS  62   3.185  -4.188  -9.740
  453    HB2  LYS  62           HB2      LYS  62   1.227  -4.936 -11.943
  454    HB3  LYS  62           HB1      LYS  62   0.760  -4.347 -10.333
  455    HG2  LYS  62           HG2      LYS  62   1.831  -2.229 -10.760
  456    HG3  LYS  62           HG1      LYS  62   2.416  -2.816 -12.341
  457    HD2  LYS  62           HD2      LYS  62   0.102  -3.094 -13.073
  458    HD3  LYS  62           HD1      LYS  62  -0.479  -2.502 -11.522
  459    HE2  LYS  62           HE2      LYS  62   0.484  -0.337 -11.951
  460    HE3  LYS  62           HE1      LYS  62   1.250  -0.929 -13.422
  461    HZ1  LYS  62           HZ1      LYS  62  -1.691  -0.991 -13.066
  462    HZ2  LYS  62           HZ2      LYS  62  -0.794  -1.116 -14.503
  463    HZ3  LYS  62           HZ3      LYS  62  -0.886   0.374 -13.698
  464    H    VAL  63           HN       VAL  63   3.288  -5.662  -8.196
  465    HA   VAL  63           HA       VAL  63   2.905  -8.458  -8.829
  466    HB   VAL  63           HB       VAL  63   4.790  -7.744  -7.489
  467   HG11  VAL  63          HG11      VAL  63   4.686  -6.743  -5.433
  468   HG12  VAL  63          HG12      VAL  63   3.054  -7.330  -5.110
  469   HG13  VAL  63          HG13      VAL  63   3.306  -5.998  -6.239
  470   HG21  VAL  63          HG21      VAL  63   3.053  -9.900  -6.962
  471   HG22  VAL  63          HG22      VAL  63   3.720  -9.350  -5.424
  472   HG23  VAL  63          HG23      VAL  63   4.801  -9.808  -6.742
  473    H    TYR  64           HN       TYR  64   1.194  -5.845  -7.381
  474    HA   TYR  64           HA       TYR  64  -1.159  -7.488  -7.162
  475    HB2  TYR  64           HB2      TYR  64  -0.132  -7.750  -4.920
  476    HB3  TYR  64           HB1      TYR  64  -0.174  -5.983  -4.733
  477    HD1  TYR  64           HD1      TYR  64  -2.668  -8.489  -5.967
  478    HD2  TYR  64           HD2      TYR  64  -1.799  -5.400  -3.171
  479    HE1  TYR  64           HE1      TYR  64  -4.963  -8.631  -5.099
  480    HE2  TYR  64           HE2      TYR  64  -4.081  -5.536  -2.303
  481    HH   TYR  64           HH       TYR  64  -5.967  -7.770  -2.405
  482    H    THR  65           HN       THR  65  -2.959  -6.346  -7.657
  483    HA   THR  65           HA       THR  65  -2.769  -3.427  -7.678
  484    HB   THR  65           HB       THR  65  -4.165  -5.144  -9.619
  485    HG1  THR  65           HG1      THR  65  -2.645  -4.284 -11.090
  486   HG21  THR  65          HG21      THR  65  -3.875  -2.179  -9.826
  487   HG22  THR  65          HG22      THR  65  -5.326  -2.959  -9.191
  488   HG23  THR  65          HG23      THR  65  -4.826  -3.249 -10.857
  489    H    PHE  66           HN       PHE  66  -4.231  -2.413  -6.438
  490    HA   PHE  66           HA       PHE  66  -6.800  -3.763  -5.947
  491    HB2  PHE  66           HB2      PHE  66  -6.792  -3.101  -3.605
  492    HB3  PHE  66           HB1      PHE  66  -5.468  -4.234  -3.998
  493    HD1  PHE  66           HD1      PHE  66  -3.329  -3.745  -3.270
  494    HD2  PHE  66           HD2      PHE  66  -6.182  -0.593  -3.497
  495    HE1  PHE  66           HE1      PHE  66  -1.768  -2.252  -2.100
  496    HE2  PHE  66           HE2      PHE  66  -4.616   0.909  -2.340
  497    HZ   PHE  66           HZ       PHE  66  -2.397   0.083  -1.641
  498    H    ASN  67           HN       ASN  67  -8.521  -2.364  -5.401
  499    HA   ASN  67           HA       ASN  67  -8.058   0.374  -6.389
  500    HB2  ASN  67           HB2      ASN  67 -10.536  -1.366  -6.553
  501    HB3  ASN  67           HB1      ASN  67 -10.483   0.336  -7.025
  502   HD21  ASN  67          HD21      ASN  67  -7.535  -0.796  -7.833
  503   HD22  ASN  67          HD22      ASN  67  -7.841  -1.289  -9.465
  504    H    GLU  68           HN       GLU  68  -9.022   2.105  -5.241
  505    HA   GLU  68           HA       GLU  68  -9.527   1.504  -2.481
  506    HB2  GLU  68           HB2      GLU  68  -9.829   4.155  -3.878
  507    HB3  GLU  68           HB1      GLU  68  -9.822   3.894  -2.147
  508    HG2  GLU  68           HG2      GLU  68  -7.473   2.956  -2.447
  509    HG3  GLU  68           HG1      GLU  68  -7.548   3.658  -4.084
  510    H    LYS  69           HN       LYS  69 -11.357   1.407  -5.213
  511    HA   LYS  69           HA       LYS  69 -13.986   2.040  -4.235
  512    HB2  LYS  69           HB2      LYS  69 -13.148  -0.097  -6.210
  513    HB3  LYS  69           HB1      LYS  69 -14.762   0.632  -6.053
  514    HG2  LYS  69           HG2      LYS  69 -13.831   2.780  -6.760
  515    HG3  LYS  69           HG1      LYS  69 -12.245   1.987  -6.982
  516    HD2  LYS  69           HD2      LYS  69 -14.810   1.311  -8.441
  517    HD3  LYS  69           HD1      LYS  69 -13.424   2.173  -9.109
  518    HE2  LYS  69           HE2      LYS  69 -12.025   0.196  -8.775
  519    HE3  LYS  69           HE1      LYS  69 -13.401  -0.668  -8.090
  520    HZ1  LYS  69           HZ1      LYS  69 -13.275  -1.359 -10.301
  521    HZ2  LYS  69           HZ2      LYS  69 -12.992   0.209 -10.888
  522    HZ3  LYS  69           HZ3      LYS  69 -14.528  -0.213 -10.301
  523    H    SER  70           HN       SER  70 -12.105  -0.836  -4.750
  524    HA   SER  70           HA       SER  70 -13.574  -2.685  -3.261
  525    HB2  SER  70           HB2      SER  70 -10.617  -2.561  -3.892
  526    HB3  SER  70           HB1      SER  70 -11.517  -4.009  -3.345
  527    HG   SER  70           HG       SER  70 -12.857  -3.631  -5.290
  528    H    THR  71           HN       THR  71 -13.949  -2.645  -1.177
  529    HA   THR  71           HA       THR  71 -13.108  -0.813   0.638
  530    HB   THR  71           HB       THR  71 -13.844  -2.377   2.345
  531    HG1  THR  71           HG1      THR  71 -13.310  -4.222   0.360
  532   HG21  THR  71          HG21      THR  71 -15.965  -2.032   1.812
  533   HG22  THR  71          HG22      THR  71 -15.862  -3.132   0.438
  534   HG23  THR  71          HG23      THR  71 -15.400  -1.440   0.249
  535    H    VAL  72           HN       VAL  72 -11.105  -0.333   1.369
  536    HA   VAL  72           HA       VAL  72  -8.914  -1.801   0.855
  537    HB   VAL  72           HB       VAL  72  -8.393  -0.210   3.199
  538   HG11  VAL  72          HG11      VAL  72  -7.576  -0.057   0.297
  539   HG12  VAL  72          HG12      VAL  72  -6.737  -0.917   1.593
  540   HG13  VAL  72          HG13      VAL  72  -6.834   0.845   1.619
  541   HG21  VAL  72          HG21      VAL  72 -10.413   1.039   2.445
  542   HG22  VAL  72          HG22      VAL  72  -9.708   1.187   0.828
  543   HG23  VAL  72          HG23      VAL  72  -8.937   1.975   2.205
  544    H    GLY  73           HN       GLY  73 -11.211  -2.413   3.155
  545    HA2  GLY  73           HA2      GLY  73  -9.615  -3.733   5.135
  546    HA3  GLY  73           HA1      GLY  73 -11.352  -3.806   4.920
  547    H    ASN  74           HN       ASN  74 -11.988  -4.926   2.786
  548    HA   ASN  74           HA       ASN  74 -11.281  -7.637   3.057
  549    HB2  ASN  74           HB2      ASN  74 -13.426  -6.785   2.071
  550    HB3  ASN  74           HB1      ASN  74 -12.519  -6.255   0.647
  551   HD21  ASN  74          HD21      ASN  74 -14.550  -8.543   1.684
  552   HD22  ASN  74          HD22      ASN  74 -14.039  -9.882   0.698
  553    H    ILE  75           HN       ILE  75  -9.949  -5.027   1.220
  554    HA   ILE  75           HA       ILE  75  -8.302  -6.670  -0.487
  555    HB   ILE  75           HB       ILE  75  -8.228  -3.791   0.217
  556   HG12  ILE  75          HG12      ILE  75 -10.123  -4.435  -1.174
  557   HG13  ILE  75          HG11      ILE  75  -8.966  -3.499  -2.148
  558   HG21  ILE  75          HG21      ILE  75  -5.977  -4.877  -0.365
  559   HG22  ILE  75          HG22      ILE  75  -6.439  -3.390  -1.193
  560   HG23  ILE  75          HG23      ILE  75  -6.619  -4.947  -2.005
  561   HD11  ILE  75          HD11      ILE  75  -9.248  -5.150  -3.618
  562   HD12  ILE  75          HD12      ILE  75  -9.820  -6.290  -2.399
  563   HD13  ILE  75          HD13      ILE  75  -8.092  -6.010  -2.602
  564    H    SER  76           HN       SER  76  -7.829  -4.907   2.553
  565    HA   SER  76           HA       SER  76  -5.046  -5.491   2.624
  566    HB2  SER  76           HB2      SER  76  -5.821  -3.544   3.782
  567    HB3  SER  76           HB1      SER  76  -6.933  -4.501   4.770
  568    HG   SER  76           HG       SER  76  -5.337  -5.013   6.048
  569    H    ASN  77           HN       ASN  77  -7.821  -7.261   3.440
  570    HA   ASN  77           HA       ASN  77  -6.542  -9.195   5.129
  571    HB2  ASN  77           HB2      ASN  77  -8.894  -9.447   3.228
  572    HB3  ASN  77           HB1      ASN  77  -8.324 -10.749   4.279
  573   HD21  ASN  77          HD21      ASN  77 -10.642  -8.555   3.995
  574   HD22  ASN  77          HD22      ASN  77 -10.985  -8.223   5.659
  575    H    ASP  78           HN       ASP  78  -7.020  -8.657   1.682
  576    HA   ASP  78           HA       ASP  78  -5.553 -10.887   0.771
  577    HB2  ASP  78           HB2      ASP  78  -6.279  -8.301  -0.571
  578    HB3  ASP  78           HB1      ASP  78  -5.306  -9.556  -1.387
  579    H    ILE  79           HN       ILE  79  -4.551  -7.646   1.685
  580    HA   ILE  79           HA       ILE  79  -2.061  -7.942   0.405
  581    HB   ILE  79           HB       ILE  79  -2.702  -6.002   2.665
  582   HG12  ILE  79          HG12      ILE  79  -2.894  -5.639  -0.342
  583   HG13  ILE  79          HG11      ILE  79  -4.290  -5.890   0.728
  584   HG21  ILE  79          HG21      ILE  79  -0.834  -4.758   1.967
  585   HG22  ILE  79          HG22      ILE  79  -0.731  -5.600   0.423
  586   HG23  ILE  79          HG23      ILE  79  -0.259  -6.426   1.906
  587   HD11  ILE  79          HD11      ILE  79  -3.539  -3.788   1.924
  588   HD12  ILE  79          HD12      ILE  79  -4.189  -3.586   0.294
  589   HD13  ILE  79          HD13      ILE  79  -2.444  -3.525   0.567
  590    H    ASN  80           HN       ASN  80  -3.258  -8.967   3.449
  591    HA   ASN  80           HA       ASN  80  -0.657  -9.594   4.520
  592    HB2  ASN  80           HB2      ASN  80  -3.463 -10.232   5.410
  593    HB3  ASN  80           HB1      ASN  80  -2.036 -10.843   6.223
  594   HD21  ASN  80          HD21      ASN  80  -4.285  -8.482   6.290
  595   HD22  ASN  80          HD22      ASN  80  -3.403  -7.256   7.149
  596    H    LYS  81           HN       LYS  81  -2.832 -10.964   2.256
  597    HA   LYS  81           HA       LYS  81  -1.908 -13.712   2.559
  598    HB2  LYS  81           HB2      LYS  81  -2.845 -12.768  -0.101
  599    HB3  LYS  81           HB1      LYS  81  -3.175 -14.277   0.720
  600    HG2  LYS  81           HG2      LYS  81  -4.501 -11.626   1.196
  601    HG3  LYS  81           HG1      LYS  81  -5.192 -13.029   0.364
  602    HD2  LYS  81           HD2      LYS  81  -4.739 -14.245   2.641
  603    HD3  LYS  81           HD1      LYS  81  -4.697 -12.582   3.265
  604    HE2  LYS  81           HE2      LYS  81  -6.902 -12.151   2.353
  605    HE3  LYS  81           HE1      LYS  81  -6.972 -13.788   1.701
  606    HZ1  LYS  81           HZ1      LYS  81  -8.169 -13.457   3.843
  607    HZ2  LYS  81           HZ2      LYS  81  -6.671 -13.188   4.596
  608    HZ3  LYS  81           HZ3      LYS  81  -7.004 -14.695   3.883
  609    H    LEU  82           HN       LEU  82  -1.713 -11.284   0.046
  610    HA   LEU  82           HA       LEU  82   0.248 -12.187  -1.563
  611    HB2  LEU  82           HB2      LEU  82  -0.654  -9.459  -0.791
  612    HB3  LEU  82           HB1      LEU  82   0.671  -9.678  -1.951
  613    HG   LEU  82           HG       LEU  82  -1.646  -9.377  -2.913
  614   HD11  LEU  82          HD11      LEU  82  -1.322 -11.274  -4.573
  615   HD12  LEU  82          HD12      LEU  82   0.070 -11.730  -3.589
  616   HD13  LEU  82          HD13      LEU  82   0.023 -10.151  -4.373
  617   HD21  LEU  82          HD21      LEU  82  -2.039 -12.212  -2.049
  618   HD22  LEU  82          HD22      LEU  82  -3.119 -11.265  -3.072
  619   HD23  LEU  82          HD23      LEU  82  -2.887 -10.816  -1.382
  620    H    ASN  83           HN       ASN  83   0.651 -10.637   1.536
  621    HA   ASN  83           HA       ASN  83   2.494 -10.103   2.814
  622    HB2  ASN  83           HB2      ASN  83   2.282 -12.590   2.901
  623    HB3  ASN  83           HB1      ASN  83   3.438 -12.704   1.574
  624   HD21  ASN  83          HD21      ASN  83   4.270 -10.142   3.560
  625   HD22  ASN  83          HD22      ASN  83   5.459 -10.958   4.532
  626    H    ILE  84           HN       ILE  84   2.758  -8.434   0.835
  627    HA   ILE  84           HA       ILE  84   5.042  -8.957  -0.792
  628    HB   ILE  84           HB       ILE  84   3.510  -6.388  -0.520
  629   HG12  ILE  84          HG12      ILE  84   2.049  -8.240  -1.217
  630   HG13  ILE  84          HG11      ILE  84   2.313  -7.092  -2.553
  631   HG21  ILE  84          HG21      ILE  84   5.663  -6.012  -1.527
  632   HG22  ILE  84          HG22      ILE  84   4.427  -5.923  -2.781
  633   HG23  ILE  84          HG23      ILE  84   5.425  -7.368  -2.630
  634   HD11  ILE  84          HD11      ILE  84   2.665  -8.983  -3.711
  635   HD12  ILE  84          HD12      ILE  84   3.104  -9.916  -2.280
  636   HD13  ILE  84          HD13      ILE  84   4.288  -8.849  -3.035
  637    H    LYS  85           HN       LYS  85   6.915  -9.064   0.364
  638    HA   LYS  85           HA       LYS  85   7.813  -6.492   1.414
  639    HB2  LYS  85           HB2      LYS  85   7.012  -8.311   3.216
  640    HB3  LYS  85           HB1      LYS  85   8.643  -8.913   2.947
  641    HG2  LYS  85           HG2      LYS  85   7.871  -6.150   3.853
  642    HG3  LYS  85           HG1      LYS  85   8.615  -7.415   4.835
  643    HD2  LYS  85           HD2      LYS  85  10.638  -7.318   3.562
  644    HD3  LYS  85           HD1      LYS  85   9.898  -6.245   2.371
  645    HE2  LYS  85           HE2      LYS  85  10.408  -5.579   5.273
  646    HE3  LYS  85           HE1      LYS  85  11.385  -5.045   3.907
  647    HZ1  LYS  85           HZ1      LYS  85   9.756  -3.613   3.173
  648    HZ2  LYS  85           HZ2      LYS  85   9.586  -3.480   4.855
  649    HZ3  LYS  85           HZ3      LYS  85   8.498  -4.436   3.962
  650    H    GLY  86           HN       GLY  86   9.080  -6.261  -0.374
  651    HA2  GLY  86           HA2      GLY  86  11.071  -6.324  -1.505
  652    HA3  GLY  86           HA1      GLY  86  11.638  -7.482  -0.300
  653    HA   PRO  87           HA       PRO  87  12.876  -6.774  -2.388
  654    HB2  PRO  87           HB2      PRO  87  14.026  -7.049  -4.754
  655    HB3  PRO  87           HB1      PRO  87  14.209  -8.289  -3.508
  656    HG2  PRO  87           HG2      PRO  87  12.463  -8.263  -5.930
  657    HG3  PRO  87           HG1      PRO  87  13.397  -9.605  -5.238
  658    HD2  PRO  87           HD2      PRO  87  10.651  -9.131  -4.817
  659    HD3  PRO  87           HD1      PRO  87  11.702 -10.205  -3.840
  660    H    TYR  88           HN       TYR  88  13.540  -4.923  -3.945
  661    HA   TYR  88           HA       TYR  88  12.714  -2.799  -4.499
  662    HB2  TYR  88           HB2      TYR  88  12.290  -4.573  -6.912
  663    HB3  TYR  88           HB1      TYR  88  12.242  -2.781  -6.968
  664    HD1  TYR  88           HD1      TYR  88  14.563  -5.292  -5.399
  665    HD2  TYR  88           HD2      TYR  88  14.111  -1.951  -7.981
  666    HE1  TYR  88           HE1      TYR  88  16.995  -5.240  -5.741
  667    HE2  TYR  88           HE2      TYR  88  16.542  -1.890  -8.340
  668    HH   TYR  88           HH       TYR  88  18.699  -3.045  -6.530
  669    H    ILE  89           HN       ILE  89  10.897  -2.196  -3.329
  670    HA   ILE  89           HA       ILE  89   8.296  -3.049  -4.424
  671    HB   ILE  89           HB       ILE  89   8.795  -1.765  -1.730
  672   HG12  ILE  89          HG12      ILE  89   8.330  -4.260  -0.982
  673   HG13  ILE  89          HG11      ILE  89   8.870  -4.614  -2.646
  674   HG21  ILE  89          HG21      ILE  89   6.555  -1.564  -1.951
  675   HG22  ILE  89          HG22      ILE  89   6.572  -3.257  -1.456
  676   HG23  ILE  89          HG23      ILE  89   6.449  -2.840  -3.165
  677   HD11  ILE  89          HD11      ILE  89  11.015  -4.219  -2.155
  678   HD12  ILE  89          HD12      ILE  89  10.504  -4.441  -0.478
  679   HD13  ILE  89          HD13      ILE  89  10.639  -2.819  -1.153
  680    H    GLU  90           HN       GLU  90   7.076  -1.716  -5.400
  681    HA   GLU  90           HA       GLU  90   7.324   1.161  -4.810
  682    HB2  GLU  90           HB2      GLU  90   6.700  -0.066  -7.508
  683    HB3  GLU  90           HB1      GLU  90   6.537   1.658  -7.124
  684    HG2  GLU  90           HG2      GLU  90   9.112   0.105  -6.932
  685    HG3  GLU  90           HG1      GLU  90   8.619   1.047  -8.338
  686    H    ILE  91           HN       ILE  91   5.757   1.053  -3.278
  687    HA   ILE  91           HA       ILE  91   3.070   0.176  -3.968
  688    HB   ILE  91           HB       ILE  91   4.364   0.986  -1.371
  689   HG12  ILE  91          HG12      ILE  91   3.327  -1.643  -2.406
  690   HG13  ILE  91          HG11      ILE  91   5.001  -1.213  -2.069
  691   HG21  ILE  91          HG21      ILE  91   1.602  -0.123  -1.475
  692   HG22  ILE  91          HG22      ILE  91   1.895   1.615  -1.590
  693   HG23  ILE  91          HG23      ILE  91   2.421   0.727  -0.167
  694   HD11  ILE  91          HD11      ILE  91   4.121  -2.632  -0.324
  695   HD12  ILE  91          HD12      ILE  91   2.792  -1.502  -0.048
  696   HD13  ILE  91          HD13      ILE  91   4.451  -1.021   0.313
  697    H    LYS  92           HN       LYS  92   2.080   1.774  -5.200
  698    HA   LYS  92           HA       LYS  92   1.378   4.211  -3.853
  699    HB2  LYS  92           HB2      LYS  92   2.575   5.805  -4.998
  700    HB3  LYS  92           HB1      LYS  92   3.766   4.502  -5.019
  701    HG2  LYS  92           HG2      LYS  92   1.906   5.290  -7.258
  702    HG3  LYS  92           HG1      LYS  92   3.639   5.579  -7.173
  703    HD2  LYS  92           HD2      LYS  92   4.101   3.229  -7.385
  704    HD3  LYS  92           HD1      LYS  92   2.388   2.835  -7.207
  705    HE2  LYS  92           HE2      LYS  92   3.196   2.757  -9.556
  706    HE3  LYS  92           HE1      LYS  92   1.859   3.894  -9.307
  707    HZ1  LYS  92           HZ1      LYS  92   3.670   4.784 -10.704
  708    HZ2  LYS  92           HZ2      LYS  92   4.746   4.649  -9.391
  709    HZ3  LYS  92           HZ3      LYS  92   3.420   5.709  -9.301
  710    H    GLN  93           HN       GLN  93   0.023   5.642  -5.400
  711    HA   GLN  93           HA       GLN  93  -1.712   3.888  -6.910
  712    HB2  GLN  93           HB2      GLN  93  -3.061   5.895  -7.359
  713    HB3  GLN  93           HB1      GLN  93  -2.847   5.552  -5.634
  714    HG2  GLN  93           HG2      GLN  93  -1.059   7.204  -5.545
  715    HG3  GLN  93           HG1      GLN  93  -1.331   7.598  -7.238
  716   HE21  GLN  93          HE21      GLN  93  -2.483   9.341  -7.545
  717   HE22  GLN  93          HE22      GLN  93  -3.723   9.953  -6.507
  718    H    ILE  94           HN       ILE  94  -2.386   4.470  -9.068
  719    HA   ILE  94           HA       ILE  94  -0.091   5.357 -10.681
  720    HB   ILE  94           HB       ILE  94  -0.911   3.649 -12.305
  721   HG12  ILE  94          HG12      ILE  94  -2.564   2.910  -9.887
  722   HG13  ILE  94          HG11      ILE  94  -3.146   3.392 -11.479
  723   HG21  ILE  94          HG21      ILE  94   0.957   2.813 -11.357
  724   HG22  ILE  94          HG22      ILE  94  -0.182   1.717 -10.575
  725   HG23  ILE  94          HG23      ILE  94   0.393   3.147  -9.719
  726   HD11  ILE  94          HD11      ILE  94  -2.483   0.817 -10.465
  727   HD12  ILE  94          HD12      ILE  94  -1.538   1.170 -11.913
  728   HD13  ILE  94          HD13      ILE  94  -3.300   1.254 -11.965
  Start of MODEL    5
    1    H    ASP   1           HT1      ASP   1  18.595  -1.055  11.436
    2    HA   ASP   1           HA       ASP   1  17.643   1.082  11.423
    3    HB2  ASP   1           HB2      ASP   1  20.153   1.946  12.886
    4    HB3  ASP   1           HB1      ASP   1  18.877   3.026  12.331
    5    H    ASN   2           HN       ASN   2  18.014   2.592   9.743
    6    HA   ASN   2           HA       ASN   2  20.572   2.389   8.324
    7    HB2  ASN   2           HB2      ASN   2  17.870   2.072   6.991
    8    HB3  ASN   2           HB1      ASN   2  19.402   2.246   6.142
    9   HD21  ASN   2          HD21      ASN   2  17.183   0.067   7.013
   10   HD22  ASN   2          HD22      ASN   2  18.165  -1.351   7.128
   11    H    GLN   3           HN       GLN   3  21.294   4.414   8.432
   12    HA   GLN   3           HA       GLN   3  19.382   6.600   8.447
   13    HB2  GLN   3           HB2      GLN   3  22.362   6.649   8.962
   14    HB3  GLN   3           HB1      GLN   3  21.271   8.007   9.162
   15    HG2  GLN   3           HG2      GLN   3  21.525   7.283  11.320
   16    HG3  GLN   3           HG1      GLN   3  20.047   6.458  10.844
   17   HE21  GLN   3          HE21      GLN   3  22.839   6.089  12.447
   18   HE22  GLN   3          HE22      GLN   3  23.056   4.378  12.313
   19    H    LYS   4           HN       LYS   4  21.073   5.038   6.077
   20    HA   LYS   4           HA       LYS   4  21.338   7.488   4.457
   21    HB2  LYS   4           HB2      LYS   4  22.584   4.754   4.054
   22    HB3  LYS   4           HB1      LYS   4  22.717   6.084   2.920
   23    HG2  LYS   4           HG2      LYS   4  23.749   6.218   5.744
   24    HG3  LYS   4           HG1      LYS   4  24.717   5.662   4.383
   25    HD2  LYS   4           HD2      LYS   4  25.271   7.941   4.714
   26    HD3  LYS   4           HD1      LYS   4  24.246   7.885   3.282
   27    HE2  LYS   4           HE2      LYS   4  23.625   9.756   4.678
   28    HE3  LYS   4           HE1      LYS   4  22.325   8.567   4.655
   29    HZ1  LYS   4           HZ1      LYS   4  23.918   9.506   6.860
   30    HZ2  LYS   4           HZ2      LYS   4  23.808   7.809   6.801
   31    HZ3  LYS   4           HZ3      LYS   4  22.398   8.752   6.861
   32    H    ALA   5           HN       ALA   5  19.897   4.376   4.867
   33    HA   ALA   5           HA       ALA   5  18.713   4.324   2.268
   34    HB1  ALA   5           HB1      ALA   5  18.860   2.159   2.792
   35    HB2  ALA   5           HB2      ALA   5  17.374   2.420   3.706
   36    HB3  ALA   5           HB3      ALA   5  18.936   2.496   4.522
   37    H    LEU   6           HN       LEU   6  17.730   6.506   2.603
   38    HA   LEU   6           HA       LEU   6  15.312   6.451   4.258
   39    HB2  LEU   6           HB2      LEU   6  16.656   8.770   2.871
   40    HB3  LEU   6           HB1      LEU   6  15.262   8.883   3.926
   41    HG   LEU   6           HG       LEU   6  18.047   8.043   4.741
   42   HD11  LEU   6          HD11      LEU   6  17.337  10.204   6.236
   43   HD12  LEU   6          HD12      LEU   6  16.602  10.584   4.679
   44   HD13  LEU   6          HD13      LEU   6  18.334  10.260   4.782
   45   HD21  LEU   6          HD21      LEU   6  17.274   7.760   6.929
   46   HD22  LEU   6          HD22      LEU   6  16.077   6.930   5.935
   47   HD23  LEU   6          HD23      LEU   6  15.729   8.535   6.582
   48    H    GLU   7           HN       GLU   7  15.623   5.152   1.563
   49    HA   GLU   7           HA       GLU   7  13.981   6.740  -0.188
   50    HB2  GLU   7           HB2      GLU   7  14.934   3.881  -0.454
   51    HB3  GLU   7           HB1      GLU   7  14.154   4.822  -1.720
   52    HG2  GLU   7           HG2      GLU   7  16.008   6.408  -1.694
   53    HG3  GLU   7           HG1      GLU   7  16.793   5.469  -0.424
   54    H    GLU   8           HN       GLU   8  13.531   3.371   0.918
   55    HA   GLU   8           HA       GLU   8  10.659   3.778   0.730
   56    HB2  GLU   8           HB2      GLU   8  10.503   1.329   1.047
   57    HB3  GLU   8           HB1      GLU   8  11.505   1.773  -0.323
   58    HG2  GLU   8           HG2      GLU   8  12.573   0.993   2.382
   59    HG3  GLU   8           HG1      GLU   8  12.392  -0.110   1.021
   60    H    GLN   9           HN       GLN   9  13.141   3.199   3.064
   61    HA   GLN   9           HA       GLN   9  11.345   2.530   5.188
   62    HB2  GLN   9           HB2      GLN   9  14.295   3.188   5.245
   63    HB3  GLN   9           HB1      GLN   9  13.387   2.336   6.492
   64    HG2  GLN   9           HG2      GLN   9  13.053   0.460   5.119
   65    HG3  GLN   9           HG1      GLN   9  13.566   1.329   3.674
   66   HE21  GLN   9          HE21      GLN   9  15.500   0.976   2.994
   67   HE22  GLN   9          HE22      GLN   9  16.822   0.341   3.933
   68    H    MET  10           HN       MET  10  11.786   5.444   3.824
   69    HA   MET  10           HA       MET  10  11.842   6.849   6.417
   70    HB2  MET  10           HB2      MET  10  13.584   7.541   4.806
   71    HB3  MET  10           HB1      MET  10  12.326   8.022   3.675
   72    HG2  MET  10           HG2      MET  10  13.230   9.939   4.863
   73    HG3  MET  10           HG1      MET  10  11.527   9.693   5.256
   74    HE1  MET  10           HE1      MET  10  12.786  11.569   6.693
   75    HE2  MET  10           HE2      MET  10  13.553  11.234   8.246
   76    HE3  MET  10           HE3      MET  10  11.804  11.090   8.080
   77    H    ASN  11           HN       ASN  11  10.454   7.661   3.246
   78    HA   ASN  11           HA       ASN  11   7.990   8.440   4.635
   79    HB2  ASN  11           HB2      ASN  11   7.428   9.375   2.277
   80    HB3  ASN  11           HB1      ASN  11   8.525  10.283   3.336
   81   HD21  ASN  11          HD21      ASN  11  10.284  11.000   2.373
   82   HD22  ASN  11          HD22      ASN  11  11.046  10.321   0.977
   83    H    SER  12           HN       SER  12   9.143   6.758   1.831
   84    HA   SER  12           HA       SER  12   7.204   5.984   0.386
   85    HB2  SER  12           HB2      SER  12   9.454   5.046   0.222
   86    HB3  SER  12           HB1      SER  12   9.154   4.066   1.675
   87    HG   SER  12           HG       SER  12   8.687   3.422  -0.865
   88    H    ILE  13           HN       ILE  13   7.857   3.971   3.209
   89    HA   ILE  13           HA       ILE  13   5.428   2.495   2.925
   90    HB   ILE  13           HB       ILE  13   7.610   2.450   5.002
   91   HG12  ILE  13          HG12      ILE  13   7.128   0.776   2.545
   92   HG13  ILE  13          HG11      ILE  13   8.349   2.056   2.753
   93   HG21  ILE  13          HG21      ILE  13   6.068  -0.007   4.525
   94   HG22  ILE  13          HG22      ILE  13   5.159   1.284   5.310
   95   HG23  ILE  13          HG23      ILE  13   6.650   0.684   6.039
   96   HD11  ILE  13          HD11      ILE  13   9.733   0.698   3.902
   97   HD12  ILE  13          HD12      ILE  13   8.828  -0.579   3.091
   98   HD13  ILE  13          HD13      ILE  13   8.414  -0.118   4.741
   99    H    ASN  14           HN       ASN  14   6.175   5.355   4.388
  100    HA   ASN  14           HA       ASN  14   4.076   5.101   6.439
  101    HB2  ASN  14           HB2      ASN  14   6.017   7.356   5.906
  102    HB3  ASN  14           HB1      ASN  14   4.740   7.415   7.112
  103   HD21  ASN  14          HD21      ASN  14   5.670   4.298   7.096
  104   HD22  ASN  14          HD22      ASN  14   6.886   4.341   8.323
  105    H    SER  15           HN       SER  15   4.932   7.180   3.672
  106    HA   SER  15           HA       SER  15   2.473   8.562   3.712
  107    HB2  SER  15           HB2      SER  15   3.102   9.489   1.552
  108    HB3  SER  15           HB1      SER  15   4.437   9.583   2.707
  109    HG   SER  15           HG       SER  15   5.433   8.756   0.990
  110    H    VAL  16           HN       VAL  16   3.335   5.463   2.606
  111    HA   VAL  16           HA       VAL  16   1.529   5.117   0.464
  112    HB   VAL  16           HB       VAL  16   3.260   3.440   1.036
  113   HG11  VAL  16          HG11      VAL  16   3.364   3.264   3.327
  114   HG12  VAL  16          HG12      VAL  16   2.551   1.769   2.863
  115   HG13  VAL  16          HG13      VAL  16   1.615   3.122   3.497
  116   HG21  VAL  16          HG21      VAL  16   1.631   1.399   1.017
  117   HG22  VAL  16          HG22      VAL  16   1.702   2.494  -0.364
  118   HG23  VAL  16          HG23      VAL  16   0.396   2.642   0.816
  119    H    ASN  17           HN       ASN  17   1.179   5.115   3.923
  120    HA   ASN  17           HA       ASN  17  -1.532   4.250   4.058
  121    HB2  ASN  17           HB2      ASN  17   0.055   6.050   5.916
  122    HB3  ASN  17           HB1      ASN  17  -1.533   5.392   6.276
  123   HD21  ASN  17          HD21      ASN  17  -1.390   3.870   7.708
  124   HD22  ASN  17          HD22      ASN  17  -0.159   2.660   7.808
  125    H    ASP  18           HN       ASP  18   0.101   7.361   3.766
  126    HA   ASP  18           HA       ASP  18  -2.071   9.005   4.158
  127    HB2  ASP  18           HB2      ASP  18   0.359   9.413   2.419
  128    HB3  ASP  18           HB1      ASP  18  -0.789  10.694   2.743
  129    H    LYS  19           HN       LYS  19  -1.594   6.974   1.403
  130    HA   LYS  19           HA       LYS  19  -3.462   8.600  -0.185
  131    HB2  LYS  19           HB2      LYS  19  -2.121   5.987  -0.885
  132    HB3  LYS  19           HB1      LYS  19  -3.283   6.810  -1.907
  133    HG2  LYS  19           HG2      LYS  19  -1.127   7.281  -2.762
  134    HG3  LYS  19           HG1      LYS  19  -1.743   8.768  -2.022
  135    HD2  LYS  19           HD2      LYS  19   0.552   8.549  -1.438
  136    HD3  LYS  19           HD1      LYS  19  -0.398   8.177   0.002
  137    HE2  LYS  19           HE2      LYS  19   1.419   6.596  -0.235
  138    HE3  LYS  19           HE1      LYS  19  -0.133   5.786  -0.440
  139    HZ1  LYS  19           HZ1      LYS  19   0.199   5.592  -2.730
  140    HZ2  LYS  19           HZ2      LYS  19   1.716   5.222  -2.068
  141    HZ3  LYS  19           HZ3      LYS  19   1.441   6.747  -2.759
  142    H    LEU  20           HN       LEU  20  -3.058   5.626   1.449
  143    HA   LEU  20           HA       LEU  20  -5.469   4.429   0.656
  144    HB2  LEU  20           HB2      LEU  20  -3.584   3.807   2.926
  145    HB3  LEU  20           HB1      LEU  20  -4.789   2.701   2.271
  146    HG   LEU  20           HG       LEU  20  -2.397   3.786   0.785
  147   HD11  LEU  20          HD11      LEU  20  -1.618   2.233   2.376
  148   HD12  LEU  20          HD12      LEU  20  -1.691   1.386   0.831
  149   HD13  LEU  20          HD13      LEU  20  -2.944   1.120   2.042
  150   HD21  LEU  20          HD21      LEU  20  -4.629   3.165  -0.441
  151   HD22  LEU  20          HD22      LEU  20  -4.087   1.514  -0.150
  152   HD23  LEU  20          HD23      LEU  20  -3.078   2.621  -1.080
  153    H    ASN  21           HN       ASN  21  -4.411   6.270   3.359
  154    HA   ASN  21           HA       ASN  21  -6.640   5.528   5.037
  155    HB2  ASN  21           HB2      ASN  21  -4.026   5.837   5.535
  156    HB3  ASN  21           HB1      ASN  21  -4.531   7.504   5.835
  157   HD21  ASN  21          HD21      ASN  21  -3.970   4.598   7.201
  158   HD22  ASN  21          HD22      ASN  21  -4.931   4.741   8.644
  159    H    LYS  22           HN       LYS  22  -8.485   6.733   4.247
  160    HA   LYS  22           HA       LYS  22  -7.951   9.636   4.038
  161    HB2  LYS  22           HB2      LYS  22 -10.001   8.077   2.472
  162    HB3  LYS  22           HB1      LYS  22  -9.543   9.769   2.241
  163    HG2  LYS  22           HG2      LYS  22  -7.230   8.964   1.693
  164    HG3  LYS  22           HG1      LYS  22  -7.870   7.320   1.709
  165    HD2  LYS  22           HD2      LYS  22  -8.000   7.856  -0.532
  166    HD3  LYS  22           HD1      LYS  22  -9.616   8.263   0.030
  167    HE2  LYS  22           HE2      LYS  22  -7.337  10.198  -0.400
  168    HE3  LYS  22           HE1      LYS  22  -8.751  10.008  -1.432
  169    HZ1  LYS  22           HZ1      LYS  22 -10.044  10.583   0.715
  170    HZ2  LYS  22           HZ2      LYS  22  -9.283  11.831  -0.151
  171    HZ3  LYS  22           HZ3      LYS  22  -8.556  11.212   1.253
  172    H    GLY  23           HN       GLY  23 -10.549   7.361   4.940
  173    HA2  GLY  23           HA2      GLY  23 -11.537   8.839   7.031
  174    HA3  GLY  23           HA1      GLY  23 -12.348   9.429   5.570
  175    H    LYS  24           HN       LYS  24 -13.561   7.868   4.292
  176    HA   LYS  24           HA       LYS  24 -15.395   6.301   5.656
  177    HB2  LYS  24           HB2      LYS  24 -15.512   6.977   3.230
  178    HB3  LYS  24           HB1      LYS  24 -14.308   5.729   2.868
  179    HG2  LYS  24           HG2      LYS  24 -16.360   4.811   2.282
  180    HG3  LYS  24           HG1      LYS  24 -15.948   4.067   3.831
  181    HD2  LYS  24           HD2      LYS  24 -17.457   5.542   4.991
  182    HD3  LYS  24           HD1      LYS  24 -17.777   6.448   3.510
  183    HE2  LYS  24           HE2      LYS  24 -18.498   3.571   4.070
  184    HE3  LYS  24           HE1      LYS  24 -19.596   4.941   3.938
  185    HZ1  LYS  24           HZ1      LYS  24 -19.589   3.639   1.912
  186    HZ2  LYS  24           HZ2      LYS  24 -17.920   3.863   1.735
  187    HZ3  LYS  24           HZ3      LYS  24 -18.974   5.192   1.618
  188    H    GLY  25           HN       GLY  25 -12.615   5.182   3.814
  189    HA2  GLY  25           HA2      GLY  25 -12.042   3.214   5.856
  190    HA3  GLY  25           HA1      GLY  25 -12.218   2.639   4.216
  191    H    LYS  26           HN       LYS  26  -9.964   2.369   5.720
  192    HA   LYS  26           HA       LYS  26  -8.018   4.020   4.314
  193    HB2  LYS  26           HB2      LYS  26  -7.029   4.199   6.716
  194    HB3  LYS  26           HB1      LYS  26  -8.298   5.311   6.184
  195    HG2  LYS  26           HG2      LYS  26  -9.929   3.661   7.113
  196    HG3  LYS  26           HG1      LYS  26  -8.555   2.853   7.888
  197    HD2  LYS  26           HD2      LYS  26  -9.638   4.440   9.428
  198    HD3  LYS  26           HD1      LYS  26  -7.990   4.956   9.037
  199    HE2  LYS  26           HE2      LYS  26  -8.785   6.568   7.471
  200    HE3  LYS  26           HE1      LYS  26 -10.438   5.957   7.589
  201    HZ1  LYS  26           HZ1      LYS  26  -8.960   7.124   9.901
  202    HZ2  LYS  26           HZ2      LYS  26 -10.628   6.820   9.783
  203    HZ3  LYS  26           HZ3      LYS  26  -9.928   8.065   8.864
  204    H    LEU  27           HN       LEU  27  -5.799   3.209   4.616
  205    HA   LEU  27           HA       LEU  27  -5.728   0.448   5.545
  206    HB2  LEU  27           HB2      LEU  27  -6.029   0.221   3.269
  207    HB3  LEU  27           HB1      LEU  27  -4.788   1.436   2.886
  208    HG   LEU  27           HG       LEU  27  -3.060  -0.063   3.694
  209   HD11  LEU  27          HD11      LEU  27  -3.652  -1.591   5.226
  210   HD12  LEU  27          HD12      LEU  27  -4.204  -2.566   3.864
  211   HD13  LEU  27          HD13      LEU  27  -5.345  -1.544   4.736
  212   HD21  LEU  27          HD21      LEU  27  -4.542  -1.900   1.927
  213   HD22  LEU  27          HD22      LEU  27  -2.929  -1.210   1.753
  214   HD23  LEU  27          HD23      LEU  27  -4.347  -0.248   1.336
  215    H    SER  28           HN       SER  28  -3.988  -0.116   6.638
  216    HA   SER  28           HA       SER  28  -1.799   1.818   6.974
  217    HB2  SER  28           HB2      SER  28  -3.117   0.014   9.021
  218    HB3  SER  28           HB1      SER  28  -1.791   1.127   9.359
  219    HG   SER  28           HG       SER  28  -4.365   1.647   9.456
  220    H    LEU  29           HN       LEU  29   0.278   0.959   6.829
  221    HA   LEU  29           HA       LEU  29   0.469  -1.968   6.893
  222    HB2  LEU  29           HB2      LEU  29   1.955  -0.542   4.742
  223    HB3  LEU  29           HB1      LEU  29   1.297  -2.193   4.784
  224    HG   LEU  29           HG       LEU  29  -1.018  -0.922   4.726
  225   HD11  LEU  29          HD11      LEU  29   0.754   1.235   4.497
  226   HD12  LEU  29          HD12      LEU  29  -1.005   1.237   4.344
  227   HD13  LEU  29          HD13      LEU  29   0.005   1.023   2.915
  228   HD21  LEU  29          HD21      LEU  29  -0.133  -2.497   3.024
  229   HD22  LEU  29          HD22      LEU  29   0.704  -1.149   2.252
  230   HD23  LEU  29          HD23      LEU  29  -1.058  -1.170   2.322
  231    H    SER  30           HN       SER  30   2.265  -2.767   7.750
  232    HA   SER  30           HA       SER  30   4.689  -1.185   7.877
  233    HB2  SER  30           HB2      SER  30   4.983  -1.588  10.314
  234    HB3  SER  30           HB1      SER  30   3.600  -0.549   9.969
  235    HG   SER  30           HG       SER  30   2.223  -2.232  10.390
  236    H    MET  31           HN       MET  31   6.462  -2.649   8.994
  237    HA   MET  31           HA       MET  31   5.924  -5.479   8.408
  238    HB2  MET  31           HB2      MET  31   8.088  -5.703   7.250
  239    HB3  MET  31           HB1      MET  31   6.954  -4.642   6.384
  240    HG2  MET  31           HG2      MET  31   8.147  -2.686   7.307
  241    HG3  MET  31           HG1      MET  31   9.304  -3.777   8.068
  242    HE1  MET  31           HE1      MET  31  11.124  -5.392   5.062
  243    HE2  MET  31           HE2      MET  31   9.544  -6.042   5.500
  244    HE3  MET  31           HE3      MET  31  10.666  -5.530   6.760
  245    H    ASN  32           HN       ASN  32   6.391  -6.626  10.089
  246    HA   ASN  32           HA       ASN  32   8.288  -5.632  12.077
  247    HB2  ASN  32           HB2      ASN  32   6.036  -6.447  12.805
  248    HB3  ASN  32           HB1      ASN  32   6.454  -8.055  12.191
  249   HD21  ASN  32          HD21      ASN  32   9.202  -6.626  13.426
  250   HD22  ASN  32          HD22      ASN  32   9.167  -7.319  15.018
  251    H    GLY  33           HN       GLY  33  10.230  -6.001  10.980
  252    HA2  GLY  33           HA2      GLY  33  12.137  -7.345  10.659
  253    HA3  GLY  33           HA1      GLY  33  11.133  -8.780  10.970
  254    H    ASN  34           HN       ASN  34  10.398  -9.923   9.287
  255    HA   ASN  34           HA       ASN  34  10.632  -8.731   6.597
  256    HB2  ASN  34           HB2      ASN  34  11.019 -11.627   7.394
  257    HB3  ASN  34           HB1      ASN  34  10.990 -11.037   5.736
  258   HD21  ASN  34          HD21      ASN  34  12.967 -11.968   8.141
  259   HD22  ASN  34          HD22      ASN  34  14.401 -11.069   7.720
  260    H    GLN  35           HN       GLN  35   8.500  -9.031   8.733
  261    HA   GLN  35           HA       GLN  35   6.488 -10.662   7.393
  262    HB2  GLN  35           HB2      GLN  35   6.876 -10.684   9.892
  263    HB3  GLN  35           HB1      GLN  35   6.295  -9.021   9.916
  264    HG2  GLN  35           HG2      GLN  35   4.120  -9.731   9.151
  265    HG3  GLN  35           HG1      GLN  35   4.685 -11.397   9.004
  266   HE21  GLN  35          HE21      GLN  35   4.029 -12.631  10.598
  267   HE22  GLN  35          HE22      GLN  35   3.813 -12.141  12.254
  268    H    LEU  36           HN       LEU  36   4.621  -9.770   6.443
  269    HA   LEU  36           HA       LEU  36   4.706  -6.856   6.196
  270    HB2  LEU  36           HB2      LEU  36   5.202  -7.900   4.154
  271    HB3  LEU  36           HB1      LEU  36   3.783  -8.948   4.252
  272    HG   LEU  36           HG       LEU  36   3.658  -7.097   2.545
  273   HD11  LEU  36          HD11      LEU  36   1.396  -6.216   3.895
  274   HD12  LEU  36          HD12      LEU  36   1.677  -7.844   4.513
  275   HD13  LEU  36          HD13      LEU  36   1.505  -7.578   2.779
  276   HD21  LEU  36          HD21      LEU  36   4.715  -5.274   3.634
  277   HD22  LEU  36          HD22      LEU  36   3.627  -5.377   5.020
  278   HD23  LEU  36          HD23      LEU  36   3.012  -4.845   3.457
  279    H    LYS  37           HN       LYS  37   3.273  -5.843   7.253
  280    HA   LYS  37           HA       LYS  37   0.806  -7.155   8.088
  281    HB2  LYS  37           HB2      LYS  37   2.440  -4.924   9.319
  282    HB3  LYS  37           HB1      LYS  37   1.085  -5.789  10.084
  283    HG2  LYS  37           HG2      LYS  37   3.520  -7.275   9.135
  284    HG3  LYS  37           HG1      LYS  37   3.513  -6.439  10.701
  285    HD2  LYS  37           HD2      LYS  37   2.872  -8.703  11.097
  286    HD3  LYS  37           HD1      LYS  37   1.462  -7.671  11.260
  287    HE2  LYS  37           HE2      LYS  37   0.667  -8.325   9.069
  288    HE3  LYS  37           HE1      LYS  37   2.102  -9.323   8.835
  289    HZ1  LYS  37           HZ1      LYS  37  -0.213 -10.255   9.771
  290    HZ2  LYS  37           HZ2      LYS  37   0.561  -9.883  11.238
  291    HZ3  LYS  37           HZ3      LYS  37   1.289 -10.953  10.134
  292    H    ALA  38           HN       ALA  38  -1.067  -6.294   7.355
  293    HA   ALA  38           HA       ALA  38  -1.173  -3.389   6.913
  294    HB1  ALA  38           HB1      ALA  38  -1.300  -5.254   4.858
  295    HB2  ALA  38           HB2      ALA  38  -1.781  -3.558   4.784
  296    HB3  ALA  38           HB3      ALA  38  -2.978  -4.801   5.155
  297    H    THR  39           HN       THR  39  -3.188  -2.459   7.140
  298    HA   THR  39           HA       THR  39  -5.330  -3.965   8.396
  299    HB   THR  39           HB       THR  39  -5.267  -2.090  10.228
  300    HG1  THR  39           HG1      THR  39  -2.745  -1.956   9.068
  301   HG21  THR  39          HG21      THR  39  -5.022  -4.114  11.221
  302   HG22  THR  39          HG22      THR  39  -3.390  -3.488  11.462
  303   HG23  THR  39          HG23      THR  39  -3.719  -4.611  10.142
  304    H    SER  40           HN       SER  40  -7.264  -3.128   7.884
  305    HA   SER  40           HA       SER  40  -7.348  -0.381   6.775
  306    HB2  SER  40           HB2      SER  40  -8.116  -1.988   5.138
  307    HB3  SER  40           HB1      SER  40  -9.246  -2.675   6.304
  308    HG   SER  40           HG       SER  40  -9.282   0.010   5.389
  309    H    SER  41           HN       SER  41  -8.424   1.046   7.927
  310    HA   SER  41           HA       SER  41  -9.743   0.010  10.325
  311    HB2  SER  41           HB2      SER  41  -8.022   1.758  10.639
  312    HB3  SER  41           HB1      SER  41  -8.985   2.869   9.665
  313    HG   SER  41           HG       SER  41  -9.495   1.840  12.241
  314    H    ASN  42           HN       ASN  42 -11.750   0.806  11.016
  315    HA   ASN  42           HA       ASN  42 -13.966   1.287  10.781
  316    HB2  ASN  42           HB2      ASN  42 -13.261   2.175   7.966
  317    HB3  ASN  42           HB1      ASN  42 -14.917   2.220   8.675
  318   HD21  ASN  42          HD21      ASN  42 -12.325   4.068   8.002
  319   HD22  ASN  42          HD22      ASN  42 -12.493   5.287   9.243
  320    H    ALA  43           HN       ALA  43 -12.129  -0.958   9.657
  321    HA   ALA  43           HA       ALA  43 -12.358  -3.104   8.958
  322    HB1  ALA  43           HB1      ALA  43 -14.897  -3.784   9.796
  323    HB2  ALA  43           HB2      ALA  43 -14.456  -2.410  10.813
  324    HB3  ALA  43           HB3      ALA  43 -13.415  -3.833  10.752
  325    H    GLY  44           HN       GLY  44 -12.607  -1.980   6.615
  326    HA2  GLY  44           HA2      GLY  44 -13.271  -3.132   4.662
  327    HA3  GLY  44           HA1      GLY  44 -14.789  -3.581   5.495
  328    H    TYR  45           HN       TYR  45 -13.431  -0.316   5.207
  329    HA   TYR  45           HA       TYR  45 -15.668   0.308   3.402
  330    HB2  TYR  45           HB2      TYR  45 -14.355   2.080   5.485
  331    HB3  TYR  45           HB1      TYR  45 -15.400   2.696   4.191
  332    HD1  TYR  45           HD1      TYR  45 -17.020   3.658   5.736
  333    HD2  TYR  45           HD2      TYR  45 -16.110  -0.499   5.909
  334    HE1  TYR  45           HE1      TYR  45 -19.002   3.286   7.123
  335    HE2  TYR  45           HE2      TYR  45 -18.092  -0.874   7.306
  336    HH   TYR  45           HH       TYR  45 -20.381   1.734   7.987
  337    H    GLY  46           HN       GLY  46 -15.191   1.815   1.695
  338    HA2  GLY  46           HA2      GLY  46 -12.381   1.670   0.830
  339    HA3  GLY  46           HA1      GLY  46 -13.769   2.049  -0.191
  340    H    ILE  47           HN       ILE  47 -12.358   3.841  -0.900
  341    HA   ILE  47           HA       ILE  47 -11.555   6.036   0.649
  342    HB   ILE  47           HB       ILE  47 -12.914   6.195  -2.031
  343   HG12  ILE  47          HG12      ILE  47 -11.136   4.616  -2.264
  344   HG13  ILE  47          HG11      ILE  47 -10.632   6.144  -2.986
  345   HG21  ILE  47          HG21      ILE  47 -12.613   8.383  -1.740
  346   HG22  ILE  47          HG22      ILE  47 -10.887   8.073  -1.937
  347   HG23  ILE  47          HG23      ILE  47 -11.596   8.127  -0.322
  348   HD11  ILE  47          HD11      ILE  47  -9.377   4.634  -0.910
  349   HD12  ILE  47          HD12      ILE  47  -9.788   6.244  -0.318
  350   HD13  ILE  47          HD13      ILE  47  -8.794   6.064  -1.763
  351    H    SER  48           HN       SER  48 -14.491   5.476  -1.139
  352    HA   SER  48           HA       SER  48 -16.310   6.446   0.772
  353    HB2  SER  48           HB2      SER  48 -16.943   8.562  -0.418
  354    HB3  SER  48           HB1      SER  48 -15.300   8.595   0.274
  355    HG   SER  48           HG       SER  48 -15.756   9.304  -2.070
  356    H    TYR  49           HN       TYR  49 -16.427   7.248  -2.592
  357    HA   TYR  49           HA       TYR  49 -17.400   4.732  -3.441
  358    HB2  TYR  49           HB2      TYR  49 -19.444   5.871  -4.601
  359    HB3  TYR  49           HB1      TYR  49 -19.582   5.248  -2.951
  360    HD1  TYR  49           HD1      TYR  49 -21.165   6.627  -1.843
  361    HD2  TYR  49           HD2      TYR  49 -18.176   8.488  -4.265
  362    HE1  TYR  49           HE1      TYR  49 -21.934   8.826  -1.108
  363    HE2  TYR  49           HE2      TYR  49 -18.956  10.690  -3.521
  364    HH   TYR  49           HH       TYR  49 -20.922  11.741  -2.596
  365    H    GLU  50           HN       GLU  50 -15.367   5.119  -4.426
  366    HA   GLU  50           HA       GLU  50 -15.570   6.778  -6.833
  367    HB2  GLU  50           HB2      GLU  50 -13.457   6.751  -4.718
  368    HB3  GLU  50           HB1      GLU  50 -13.052   7.235  -6.350
  369    HG2  GLU  50           HG2      GLU  50 -15.162   8.508  -4.622
  370    HG3  GLU  50           HG1      GLU  50 -13.524   9.114  -4.879
  371    H    ASP  51           HN       ASP  51 -13.023   6.417  -7.770
  372    HA   ASP  51           HA       ASP  51 -12.476   3.568  -7.864
  373    HB2  ASP  51           HB2      ASP  51 -13.762   3.638  -9.811
  374    HB3  ASP  51           HB1      ASP  51 -13.062   5.186 -10.326
  375    H    LYS  52           HN       LYS  52 -10.489   3.102  -7.669
  376    HA   LYS  52           HA       LYS  52  -8.388   4.952  -8.454
  377    HB2  LYS  52           HB2      LYS  52  -8.803   3.854  -5.700
  378    HB3  LYS  52           HB1      LYS  52  -7.249   4.453  -6.245
  379    HG2  LYS  52           HG2      LYS  52  -8.132   6.216  -5.060
  380    HG3  LYS  52           HG1      LYS  52  -8.498   6.615  -6.726
  381    HD2  LYS  52           HD2      LYS  52 -10.798   5.639  -6.366
  382    HD3  LYS  52           HD1      LYS  52 -10.374   5.518  -4.651
  383    HE2  LYS  52           HE2      LYS  52 -10.471   8.041  -6.301
  384    HE3  LYS  52           HE1      LYS  52 -11.593   7.572  -5.025
  385    HZ1  LYS  52           HZ1      LYS  52  -8.870   8.629  -4.826
  386    HZ2  LYS  52           HZ2      LYS  52  -9.345   7.505  -3.651
  387    HZ3  LYS  52           HZ3      LYS  52 -10.231   8.944  -3.856
  388    H    ASN  53           HN       ASN  53  -6.930   3.812  -9.587
  389    HA   ASN  53           HA       ASN  53  -6.769   0.936  -9.040
  390    HB2  ASN  53           HB2      ASN  53  -5.874   2.536 -11.439
  391    HB3  ASN  53           HB1      ASN  53  -5.435   0.837 -11.185
  392   HD21  ASN  53          HD21      ASN  53  -8.451   1.340  -9.857
  393   HD22  ASN  53          HD22      ASN  53  -9.408   0.796 -11.203
  394    H    TRP  54           HN       TRP  54  -5.046   0.054  -8.172
  395    HA   TRP  54           HA       TRP  54  -2.845   1.879  -7.523
  396    HB2  TRP  54           HB2      TRP  54  -4.563   0.206  -5.856
  397    HB3  TRP  54           HB1      TRP  54  -2.825  -0.071  -5.564
  398    HD1  TRP  54           HD1      TRP  54  -5.118   3.088  -5.884
  399    HE1  TRP  54           HE1      TRP  54  -4.206   4.815  -4.194
  400    HE3  TRP  54           HE3      TRP  54  -1.287   0.371  -3.990
  401    HZ2  TRP  54           HZ2      TRP  54  -2.045   4.954  -2.362
  402    HZ3  TRP  54           HZ3      TRP  54   0.124   1.371  -2.274
  403    HH2  TRP  54           HH2      TRP  54  -0.259   3.603  -1.453
  404    H    GLY  55           HN       GLY  55  -0.753   1.054  -7.178
  405    HA2  GLY  55           HA2      GLY  55  -0.386  -1.729  -7.972
  406    HA3  GLY  55           HA1      GLY  55   0.559  -0.525  -8.828
  407    H    ILE  56           HN       ILE  56   1.515  -2.612  -7.364
  408    HA   ILE  56           HA       ILE  56   3.129  -1.258  -5.283
  409    HB   ILE  56           HB       ILE  56   2.125  -4.140  -5.289
  410   HG12  ILE  56          HG12      ILE  56   1.603  -1.932  -3.281
  411   HG13  ILE  56          HG11      ILE  56   0.471  -2.358  -4.584
  412   HG21  ILE  56          HG21      ILE  56   3.219  -4.060  -2.946
  413   HG22  ILE  56          HG22      ILE  56   4.150  -2.716  -3.607
  414   HG23  ILE  56          HG23      ILE  56   4.243  -4.308  -4.361
  415   HD11  ILE  56          HD11      ILE  56   1.163  -3.812  -2.085
  416   HD12  ILE  56          HD12      ILE  56   0.730  -4.760  -3.508
  417   HD13  ILE  56          HD13      ILE  56  -0.401  -3.570  -2.862
  418    H    PHE  57           HN       PHE  57   4.756  -0.832  -6.730
  419    HA   PHE  57           HA       PHE  57   5.469  -2.861  -8.643
  420    HB2  PHE  57           HB2      PHE  57   6.618  -0.079  -8.391
  421    HB3  PHE  57           HB1      PHE  57   6.782  -1.167  -9.774
  422    HD1  PHE  57           HD1      PHE  57   5.285  -1.054 -11.519
  423    HD2  PHE  57           HD2      PHE  57   4.234   0.744  -7.803
  424    HE1  PHE  57           HE1      PHE  57   3.306  -0.028 -12.560
  425    HE2  PHE  57           HE2      PHE  57   2.262   1.743  -8.844
  426    HZ   PHE  57           HZ       PHE  57   1.784   1.360 -11.198
  427    H    VAL  58           HN       VAL  58   6.825  -4.345  -8.087
  428    HA   VAL  58           HA       VAL  58   9.234  -3.686  -6.541
  429    HB   VAL  58           HB       VAL  58   8.185  -6.386  -7.430
  430   HG11  VAL  58          HG11      VAL  58   9.916  -7.405  -6.238
  431   HG12  VAL  58          HG12      VAL  58  10.341  -5.908  -5.404
  432   HG13  VAL  58          HG13      VAL  58  10.701  -6.096  -7.123
  433   HG21  VAL  58          HG21      VAL  58   7.622  -6.743  -5.089
  434   HG22  VAL  58          HG22      VAL  58   6.770  -5.340  -5.734
  435   HG23  VAL  58          HG23      VAL  58   8.181  -5.118  -4.698
  436    H    ASN  59           HN       ASN  59  10.725  -2.839  -7.896
  437    HA   ASN  59           HA       ASN  59  12.183  -2.587  -9.624
  438    HB2  ASN  59           HB2      ASN  59  11.618  -5.536 -10.027
  439    HB3  ASN  59           HB1      ASN  59  12.855  -4.627 -10.926
  440   HD21  ASN  59          HD21      ASN  59  12.843  -3.229  -7.999
  441   HD22  ASN  59          HD22      ASN  59  14.047  -4.178  -7.202
  442    H    GLY  60           HN       GLY  60   9.695  -1.645 -10.140
  443    HA2  GLY  60           HA2      GLY  60   8.474  -0.818 -11.884
  444    HA3  GLY  60           HA1      GLY  60   9.716  -1.497 -12.956
  445    H    GLU  61           HN       GLU  61   7.426  -2.986 -10.717
  446    HA   GLU  61           HA       GLU  61   5.803  -4.062 -12.830
  447    HB2  GLU  61           HB2      GLU  61   7.675  -5.648 -12.896
  448    HB3  GLU  61           HB1      GLU  61   7.515  -5.929 -11.164
  449    HG2  GLU  61           HG2      GLU  61   6.554  -7.763 -12.404
  450    HG3  GLU  61           HG1      GLU  61   5.290  -6.887 -11.530
  451    H    LYS  62           HN       LYS  62   3.770  -4.156 -12.063
  452    HA   LYS  62           HA       LYS  62   3.263  -3.792  -9.260
  453    HB2  LYS  62           HB2      LYS  62   1.352  -4.456 -11.526
  454    HB3  LYS  62           HB1      LYS  62   0.864  -4.046  -9.867
  455    HG2  LYS  62           HG2      LYS  62   1.917  -1.839 -10.138
  456    HG3  LYS  62           HG1      LYS  62   2.303  -2.255 -11.828
  457    HD2  LYS  62           HD2      LYS  62  -0.479  -2.137 -10.637
  458    HD3  LYS  62           HD1      LYS  62   0.255  -0.886 -11.643
  459    HE2  LYS  62           HE2      LYS  62  -0.311  -3.733 -12.477
  460    HE3  LYS  62           HE1      LYS  62  -1.259  -2.318 -12.934
  461    HZ1  LYS  62           HZ1      LYS  62   1.406  -3.152 -13.852
  462    HZ2  LYS  62           HZ2      LYS  62   1.048  -1.492 -13.814
  463    HZ3  LYS  62           HZ3      LYS  62   0.097  -2.544 -14.749
  464    H    VAL  63           HN       VAL  63   3.591  -5.429  -7.908
  465    HA   VAL  63           HA       VAL  63   3.175  -8.177  -8.743
  466    HB   VAL  63           HB       VAL  63   3.909  -8.801  -6.540
  467   HG11  VAL  63          HG11      VAL  63   6.167  -7.294  -6.752
  468   HG12  VAL  63          HG12      VAL  63   5.472  -7.144  -8.367
  469   HG13  VAL  63          HG13      VAL  63   5.821  -8.740  -7.702
  470   HG21  VAL  63          HG21      VAL  63   2.953  -6.827  -5.342
  471   HG22  VAL  63          HG22      VAL  63   4.296  -5.868  -5.968
  472   HG23  VAL  63          HG23      VAL  63   4.609  -7.220  -4.877
  473    H    TYR  64           HN       TYR  64   1.306  -5.686  -7.542
  474    HA   TYR  64           HA       TYR  64  -0.945  -7.420  -7.321
  475    HB2  TYR  64           HB2      TYR  64   0.015  -7.563  -5.010
  476    HB3  TYR  64           HB1      TYR  64  -0.234  -5.807  -4.865
  477    HD1  TYR  64           HD1      TYR  64  -2.430  -8.425  -6.362
  478    HD2  TYR  64           HD2      TYR  64  -1.936  -5.547  -3.267
  479    HE1  TYR  64           HE1      TYR  64  -4.745  -8.813  -5.641
  480    HE2  TYR  64           HE2      TYR  64  -4.249  -5.940  -2.539
  481    HH   TYR  64           HH       TYR  64  -5.976  -8.409  -3.105
  482    H    THR  65           HN       THR  65  -2.793  -6.361  -7.849
  483    HA   THR  65           HA       THR  65  -2.697  -3.440  -7.969
  484    HB   THR  65           HB       THR  65  -3.996  -5.245  -9.900
  485    HG1  THR  65           HG1      THR  65  -1.907  -5.285 -10.445
  486   HG21  THR  65          HG21      THR  65  -5.328  -3.341  -9.978
  487   HG22  THR  65          HG22      THR  65  -4.160  -3.106 -11.279
  488   HG23  THR  65          HG23      THR  65  -3.942  -2.275  -9.739
  489    H    PHE  66           HN       PHE  66  -4.064  -2.644  -6.473
  490    HA   PHE  66           HA       PHE  66  -6.667  -4.010  -6.187
  491    HB2  PHE  66           HB2      PHE  66  -6.788  -3.390  -3.861
  492    HB3  PHE  66           HB1      PHE  66  -5.346  -4.391  -4.191
  493    HD1  PHE  66           HD1      PHE  66  -6.393  -0.824  -3.748
  494    HD2  PHE  66           HD2      PHE  66  -3.303  -3.729  -3.336
  495    HE1  PHE  66           HE1      PHE  66  -5.024   0.811  -2.529
  496    HE2  PHE  66           HE2      PHE  66  -1.927  -2.092  -2.118
  497    HZ   PHE  66           HZ       PHE  66  -2.780   0.189  -1.713
  498    H    ASN  67           HN       ASN  67  -8.429  -2.661  -5.650
  499    HA   ASN  67           HA       ASN  67  -8.080   0.066  -6.692
  500    HB2  ASN  67           HB2      ASN  67 -10.366  -0.214  -7.678
  501    HB3  ASN  67           HB1      ASN  67  -9.165  -1.317  -8.360
  502   HD21  ASN  67          HD21      ASN  67 -12.248  -1.186  -7.502
  503   HD22  ASN  67          HD22      ASN  67 -12.517  -2.820  -6.996
  504    H    GLU  68           HN       GLU  68  -8.978   1.701  -5.501
  505    HA   GLU  68           HA       GLU  68  -9.735   1.091  -2.856
  506    HB2  GLU  68           HB2      GLU  68 -10.100   3.705  -4.281
  507    HB3  GLU  68           HB1      GLU  68 -10.169   3.466  -2.554
  508    HG2  GLU  68           HG2      GLU  68  -7.745   3.118  -4.321
  509    HG3  GLU  68           HG1      GLU  68  -8.064   4.443  -3.193
  510    H    LYS  69           HN       LYS  69 -11.503   0.909  -5.633
  511    HA   LYS  69           HA       LYS  69 -14.143   1.530  -4.692
  512    HB2  LYS  69           HB2      LYS  69 -13.300  -0.611  -6.649
  513    HB3  LYS  69           HB1      LYS  69 -14.910   0.121  -6.501
  514    HG2  LYS  69           HG2      LYS  69 -14.002   2.264  -7.231
  515    HG3  LYS  69           HG1      LYS  69 -12.391   1.517  -7.393
  516    HD2  LYS  69           HD2      LYS  69 -13.479   1.649  -9.564
  517    HD3  LYS  69           HD1      LYS  69 -13.298  -0.036  -9.073
  518    HE2  LYS  69           HE2      LYS  69 -15.641  -0.075  -8.354
  519    HE3  LYS  69           HE1      LYS  69 -15.819   1.612  -8.840
  520    HZ1  LYS  69           HZ1      LYS  69 -14.834  -0.273 -10.852
  521    HZ2  LYS  69           HZ2      LYS  69 -15.848   1.081 -11.029
  522    HZ3  LYS  69           HZ3      LYS  69 -16.476  -0.376 -10.425
  523    H    SER  70           HN       SER  70 -11.992  -1.219  -4.833
  524    HA   SER  70           HA       SER  70 -13.543  -2.976  -3.233
  525    HB2  SER  70           HB2      SER  70 -11.679  -3.794  -4.685
  526    HB3  SER  70           HB1      SER  70 -10.541  -2.940  -3.595
  527    HG   SER  70           HG       SER  70 -10.707  -5.105  -2.971
  528    H    THR  71           HN       THR  71 -13.850  -2.804  -1.107
  529    HA   THR  71           HA       THR  71 -13.051  -0.604   0.408
  530    HB   THR  71           HB       THR  71 -13.745  -1.956   2.316
  531    HG1  THR  71           HG1      THR  71 -13.590  -4.021   0.417
  532   HG21  THR  71          HG21      THR  71 -15.369  -1.048   0.380
  533   HG22  THR  71          HG22      THR  71 -15.941  -1.839   1.849
  534   HG23  THR  71          HG23      THR  71 -15.777  -2.764   0.357
  535    H    VAL  72           HN       VAL  72 -11.117  -0.121   1.397
  536    HA   VAL  72           HA       VAL  72  -8.879  -1.551   0.926
  537    HB   VAL  72           HB       VAL  72  -8.469  -0.022   3.334
  538   HG11  VAL  72          HG11      VAL  72  -6.854  -0.738   1.574
  539   HG12  VAL  72          HG12      VAL  72  -6.792   0.977   1.979
  540   HG13  VAL  72          HG13      VAL  72  -7.583   0.451   0.491
  541   HG21  VAL  72          HG21      VAL  72  -9.714   1.440   0.945
  542   HG22  VAL  72          HG22      VAL  72  -9.023   2.188   2.391
  543   HG23  VAL  72          HG23      VAL  72 -10.496   1.229   2.527
  544    H    GLY  73           HN       GLY  73 -11.299  -2.181   3.083
  545    HA2  GLY  73           HA2      GLY  73  -9.935  -3.669   5.090
  546    HA3  GLY  73           HA1      GLY  73 -11.631  -3.743   4.661
  547    H    ASN  74           HN       ASN  74 -12.024  -4.754   2.401
  548    HA   ASN  74           HA       ASN  74 -11.096  -7.437   2.568
  549    HB2  ASN  74           HB2      ASN  74 -12.563  -5.981   0.363
  550    HB3  ASN  74           HB1      ASN  74 -12.157  -7.704   0.291
  551   HD21  ASN  74          HD21      ASN  74 -14.557  -5.614   0.995
  552   HD22  ASN  74          HD22      ASN  74 -15.474  -6.583   2.111
  553    H    ILE  75           HN       ILE  75  -9.765  -4.638   1.161
  554    HA   ILE  75           HA       ILE  75  -8.019  -6.018  -0.711
  555    HB   ILE  75           HB       ILE  75  -7.750  -3.297   0.507
  556   HG12  ILE  75          HG12      ILE  75  -8.762  -4.022  -2.293
  557   HG13  ILE  75          HG11      ILE  75  -9.765  -3.458  -0.921
  558   HG21  ILE  75          HG21      ILE  75  -5.606  -3.952  -0.164
  559   HG22  ILE  75          HG22      ILE  75  -6.206  -2.901  -1.446
  560   HG23  ILE  75          HG23      ILE  75  -6.208  -4.650  -1.667
  561   HD11  ILE  75          HD11      ILE  75  -7.639  -1.614  -1.286
  562   HD12  ILE  75          HD12      ILE  75  -9.372  -1.373  -1.506
  563   HD13  ILE  75          HD13      ILE  75  -8.383  -1.930  -2.853
  564    H    SER  76           HN       SER  76  -7.816  -4.794   2.616
  565    HA   SER  76           HA       SER  76  -5.078  -5.599   2.891
  566    HB2  SER  76           HB2      SER  76  -5.862  -3.758   4.236
  567    HB3  SER  76           HB1      SER  76  -7.101  -4.774   4.984
  568    HG   SER  76           HG       SER  76  -4.911  -6.053   5.434
  569    H    ASN  77           HN       ASN  77  -8.116  -7.168   3.222
  570    HA   ASN  77           HA       ASN  77  -7.195  -9.418   4.734
  571    HB2  ASN  77           HB2      ASN  77  -9.436  -9.102   2.731
  572    HB3  ASN  77           HB1      ASN  77  -9.030 -10.660   3.454
  573   HD21  ASN  77          HD21      ASN  77 -10.230 -11.182   5.095
  574   HD22  ASN  77          HD22      ASN  77 -10.967 -10.092   6.225
  575    H    ASP  78           HN       ASP  78  -6.771  -8.195   1.544
  576    HA   ASP  78           HA       ASP  78  -5.574 -10.670   0.587
  577    HB2  ASP  78           HB2      ASP  78  -6.247  -8.052  -0.717
  578    HB3  ASP  78           HB1      ASP  78  -5.141  -9.202  -1.507
  579    H    ILE  79           HN       ILE  79  -4.553  -7.572   1.848
  580    HA   ILE  79           HA       ILE  79  -1.952  -7.665   0.733
  581    HB   ILE  79           HB       ILE  79  -2.657  -6.263   3.348
  582   HG12  ILE  79          HG12      ILE  79  -4.234  -5.655   1.486
  583   HG13  ILE  79          HG11      ILE  79  -3.234  -4.296   2.060
  584   HG21  ILE  79          HG21      ILE  79  -0.817  -4.823   2.817
  585   HG22  ILE  79          HG22      ILE  79  -0.628  -5.557   1.226
  586   HG23  ILE  79          HG23      ILE  79  -0.256  -6.488   2.673
  587   HD11  ILE  79          HD11      ILE  79  -1.837  -4.439   0.146
  588   HD12  ILE  79          HD12      ILE  79  -3.510  -4.443  -0.408
  589   HD13  ILE  79          HD13      ILE  79  -2.588  -5.949  -0.364
  590    H    ASN  80           HN       ASN  80  -3.347  -8.968   3.668
  591    HA   ASN  80           HA       ASN  80  -0.943  -9.568   4.967
  592    HB2  ASN  80           HB2      ASN  80  -3.728 -10.660   5.279
  593    HB3  ASN  80           HB1      ASN  80  -2.391 -11.143   6.304
  594   HD21  ASN  80          HD21      ASN  80  -2.274 -10.102   8.145
  595   HD22  ASN  80          HD22      ASN  80  -2.805  -8.471   8.433
  596    H    LYS  81           HN       LYS  81  -2.784 -11.376   2.547
  597    HA   LYS  81           HA       LYS  81  -1.181 -13.712   2.968
  598    HB2  LYS  81           HB2      LYS  81  -2.166 -14.530   0.802
  599    HB3  LYS  81           HB1      LYS  81  -3.295 -14.248   2.114
  600    HG2  LYS  81           HG2      LYS  81  -2.924 -11.946   0.355
  601    HG3  LYS  81           HG1      LYS  81  -3.610 -13.383  -0.434
  602    HD2  LYS  81           HD2      LYS  81  -4.602 -12.161   2.127
  603    HD3  LYS  81           HD1      LYS  81  -5.316 -11.880   0.534
  604    HE2  LYS  81           HE2      LYS  81  -5.789 -14.282   0.338
  605    HE3  LYS  81           HE1      LYS  81  -5.093 -14.546   1.937
  606    HZ1  LYS  81           HZ1      LYS  81  -7.341 -14.419   2.367
  607    HZ2  LYS  81           HZ2      LYS  81  -7.616 -13.202   1.209
  608    HZ3  LYS  81           HZ3      LYS  81  -6.843 -12.822   2.675
  609    H    LEU  82           HN       LEU  82  -1.431 -11.284   0.381
  610    HA   LEU  82           HA       LEU  82   0.620 -12.009  -1.266
  611    HB2  LEU  82           HB2      LEU  82  -0.546  -9.403  -0.453
  612    HB3  LEU  82           HB1      LEU  82   0.865  -9.442  -1.529
  613    HG   LEU  82           HG       LEU  82  -1.417  -9.319  -2.612
  614   HD11  LEU  82          HD11      LEU  82  -0.409 -10.074  -4.455
  615   HD12  LEU  82          HD12      LEU  82  -0.314 -11.709  -3.803
  616   HD13  LEU  82          HD13      LEU  82   0.932 -10.527  -3.403
  617   HD21  LEU  82          HD21      LEU  82  -2.725 -10.861  -1.422
  618   HD22  LEU  82          HD22      LEU  82  -1.542 -12.146  -1.669
  619   HD23  LEU  82          HD23      LEU  82  -2.486 -11.541  -3.032
  620    H    ASN  83           HN       ASN  83   0.804 -10.499   1.852
  621    HA   ASN  83           HA       ASN  83   2.523  -9.656   3.139
  622    HB2  ASN  83           HB2      ASN  83   2.486 -12.251   3.274
  623    HB3  ASN  83           HB1      ASN  83   3.976 -12.164   2.327
  624   HD21  ASN  83          HD21      ASN  83   5.842 -11.662   3.339
  625   HD22  ASN  83          HD22      ASN  83   5.977 -11.300   5.030
  626    H    ILE  84           HN       ILE  84   2.833  -8.182   1.043
  627    HA   ILE  84           HA       ILE  84   5.173  -8.723  -0.461
  628    HB   ILE  84           HB       ILE  84   3.550  -6.198  -0.369
  629   HG12  ILE  84          HG12      ILE  84   3.374  -8.594  -2.218
  630   HG13  ILE  84          HG11      ILE  84   2.202  -8.179  -0.944
  631   HG21  ILE  84          HG21      ILE  84   5.588  -5.660  -1.407
  632   HG22  ILE  84          HG22      ILE  84   4.478  -5.988  -2.737
  633   HG23  ILE  84          HG23      ILE  84   5.660  -7.206  -2.254
  634   HD11  ILE  84          HD11      ILE  84   1.808  -7.551  -3.472
  635   HD12  ILE  84          HD12      ILE  84   2.787  -6.152  -3.031
  636   HD13  ILE  84          HD13      ILE  84   1.291  -6.492  -2.161
  637    H    LYS  85           HN       LYS  85   7.094  -8.628   0.503
  638    HA   LYS  85           HA       LYS  85   7.872  -6.047   1.595
  639    HB2  LYS  85           HB2      LYS  85   9.214  -7.490   3.377
  640    HB3  LYS  85           HB1      LYS  85   7.591  -6.908   3.667
  641    HG2  LYS  85           HG2      LYS  85   7.795  -9.208   4.384
  642    HG3  LYS  85           HG1      LYS  85   6.670  -9.078   3.040
  643    HD2  LYS  85           HD2      LYS  85   7.934 -11.026   2.651
  644    HD3  LYS  85           HD1      LYS  85   8.568  -9.812   1.541
  645    HE2  LYS  85           HE2      LYS  85  10.476  -9.436   3.002
  646    HE3  LYS  85           HE1      LYS  85   9.815 -10.555   4.193
  647    HZ1  LYS  85           HZ1      LYS  85  11.049 -12.072   3.150
  648    HZ2  LYS  85           HZ2      LYS  85  11.296 -11.084   1.786
  649    HZ3  LYS  85           HZ3      LYS  85   9.886 -12.024   1.909
  650    H    GLY  86           HN       GLY  86   9.095  -5.594  -0.126
  651    HA2  GLY  86           HA2      GLY  86  11.129  -5.326  -1.146
  652    HA3  GLY  86           HA1      GLY  86  11.762  -6.505  -0.000
  653    HA   PRO  87           HA       PRO  87  13.061  -5.476  -1.871
  654    HB2  PRO  87           HB2      PRO  87  14.423  -5.358  -4.138
  655    HB3  PRO  87           HB1      PRO  87  14.663  -6.691  -3.004
  656    HG2  PRO  87           HG2      PRO  87  13.120  -6.627  -5.561
  657    HG3  PRO  87           HG1      PRO  87  14.170  -7.904  -4.920
  658    HD2  PRO  87           HD2      PRO  87  11.363  -7.838  -4.698
  659    HD3  PRO  87           HD1      PRO  87  12.476  -8.855  -3.728
  660    H    TYR  88           HN       TYR  88  13.614  -3.410  -3.212
  661    HA   TYR  88           HA       TYR  88  12.521  -1.358  -3.610
  662    HB2  TYR  88           HB2      TYR  88  12.657  -2.888  -6.212
  663    HB3  TYR  88           HB1      TYR  88  12.315  -1.131  -6.106
  664    HD1  TYR  88           HD1      TYR  88  14.107   0.041  -6.860
  665    HD2  TYR  88           HD2      TYR  88  14.842  -3.368  -4.430
  666    HE1  TYR  88           HE1      TYR  88  16.512   0.530  -6.922
  667    HE2  TYR  88           HE2      TYR  88  17.256  -2.886  -4.476
  668    HH   TYR  88           HH       TYR  88  18.504   0.090  -5.855
  669    H    ILE  89           HN       ILE  89  10.508  -1.166  -2.633
  670    HA   ILE  89           HA       ILE  89   8.227  -2.141  -4.222
  671    HB   ILE  89           HB       ILE  89   8.095  -1.259  -1.337
  672   HG12  ILE  89          HG12      ILE  89   7.979  -3.900  -1.032
  673   HG13  ILE  89          HG11      ILE  89   8.881  -3.859  -2.570
  674   HG21  ILE  89          HG21      ILE  89   6.009  -1.405  -2.719
  675   HG22  ILE  89          HG22      ILE  89   6.023  -2.441  -1.292
  676   HG23  ILE  89          HG23      ILE  89   6.314  -3.133  -2.887
  677   HD11  ILE  89          HD11      ILE  89  10.006  -3.769  -0.091
  678   HD12  ILE  89          HD12      ILE  89   9.933  -2.061  -0.518
  679   HD13  ILE  89          HD13      ILE  89  10.768  -3.195  -1.576
  680    H    GLU  90           HN       GLU  90   6.789  -0.830  -4.978
  681    HA   GLU  90           HA       GLU  90   6.631   1.882  -3.863
  682    HB2  GLU  90           HB2      GLU  90   6.458   1.308  -6.825
  683    HB3  GLU  90           HB1      GLU  90   6.111   2.868  -6.061
  684    HG2  GLU  90           HG2      GLU  90   8.440   2.956  -5.269
  685    HG3  GLU  90           HG1      GLU  90   8.767   1.442  -6.112
  686    H    ILE  91           HN       ILE  91   4.860   1.472  -2.695
  687    HA   ILE  91           HA       ILE  91   2.491   0.336  -3.981
  688    HB   ILE  91           HB       ILE  91   2.660   1.177  -1.096
  689   HG12  ILE  91          HG12      ILE  91   3.601  -1.461  -2.222
  690   HG13  ILE  91          HG11      ILE  91   4.643  -0.222  -1.533
  691   HG21  ILE  91          HG21      ILE  91   0.650   0.211  -0.996
  692   HG22  ILE  91          HG22      ILE  91   1.386  -1.316  -1.471
  693   HG23  ILE  91          HG23      ILE  91   0.765  -0.227  -2.706
  694   HD11  ILE  91          HD11      ILE  91   2.432  -1.172   0.174
  695   HD12  ILE  91          HD12      ILE  91   4.099  -0.766   0.591
  696   HD13  ILE  91          HD13      ILE  91   3.731  -2.323  -0.152
  697    H    LYS  92           HN       LYS  92   1.453   1.889  -5.133
  698    HA   LYS  92           HA       LYS  92   0.450   4.268  -3.881
  699    HB2  LYS  92           HB2      LYS  92   1.509   5.636  -5.875
  700    HB3  LYS  92           HB1      LYS  92   2.401   5.374  -4.373
  701    HG2  LYS  92           HG2      LYS  92   3.779   5.053  -6.361
  702    HG3  LYS  92           HG1      LYS  92   3.666   3.600  -5.377
  703    HD2  LYS  92           HD2      LYS  92   3.567   2.997  -7.681
  704    HD3  LYS  92           HD1      LYS  92   1.993   2.705  -6.940
  705    HE2  LYS  92           HE2      LYS  92   1.734   3.691  -9.166
  706    HE3  LYS  92           HE1      LYS  92   1.149   4.771  -7.912
  707    HZ1  LYS  92           HZ1      LYS  92   2.711   6.302  -8.343
  708    HZ2  LYS  92           HZ2      LYS  92   2.814   5.525  -9.853
  709    HZ3  LYS  92           HZ3      LYS  92   3.932   5.153  -8.632
  710    H    GLN  93           HN       GLN  93  -0.738   5.659  -5.554
  711    HA   GLN  93           HA       GLN  93  -2.210   3.808  -7.242
  712    HB2  GLN  93           HB2      GLN  93  -3.807   5.595  -7.635
  713    HB3  GLN  93           HB1      GLN  93  -3.624   5.195  -5.921
  714    HG2  GLN  93           HG2      GLN  93  -2.089   7.110  -5.699
  715    HG3  GLN  93           HG1      GLN  93  -2.455   7.563  -7.360
  716   HE21  GLN  93          HE21      GLN  93  -5.180   6.219  -6.148
  717   HE22  GLN  93          HE22      GLN  93  -5.997   7.638  -5.596
  718    H    ILE  94           HN       ILE  94  -2.758   4.275  -9.342
  719    HA   ILE  94           HA       ILE  94  -0.591   5.609 -10.810
  720    HB   ILE  94           HB       ILE  94  -1.053   3.778 -12.469
  721   HG12  ILE  94          HG12      ILE  94  -2.495   2.681 -10.048
  722   HG13  ILE  94          HG11      ILE  94  -3.222   3.124 -11.586
  723   HG21  ILE  94          HG21      ILE  94  -0.067   2.118 -10.453
  724   HG22  ILE  94          HG22      ILE  94   0.426   3.755 -10.011
  725   HG23  ILE  94          HG23      ILE  94   0.869   3.096 -11.587
  726   HD11  ILE  94          HD11      ILE  94  -2.818   1.124 -12.420
  727   HD12  ILE  94          HD12      ILE  94  -2.347   0.645 -10.789
  728   HD13  ILE  94          HD13      ILE  94  -1.123   1.197 -11.933
  Start of MODEL    6
    1    H    ASP   1           HT1      ASP   1  18.581  -5.982  -0.130
    2    HA   ASP   1           HA       ASP   1  16.762  -5.899   1.280
    3    HB2  ASP   1           HB2      ASP   1  19.169  -4.951   2.861
    4    HB3  ASP   1           HB1      ASP   1  17.754  -5.739   3.547
    5    H    ASN   2           HN       ASN   2  18.455  -3.384   3.003
    6    HA   ASN   2           HA       ASN   2  17.782  -1.417   3.900
    7    HB2  ASN   2           HB2      ASN   2  16.483  -1.132   1.185
    8    HB3  ASN   2           HB1      ASN   2  16.630   0.174   2.357
    9   HD21  ASN   2          HD21      ASN   2  17.950  -1.057  -0.335
   10   HD22  ASN   2          HD22      ASN   2  19.579  -0.498  -0.163
   11    H    GLN   3           HN       GLN   3  16.477  -2.961   5.272
   12    HA   GLN   3           HA       GLN   3  13.643  -3.015   4.843
   13    HB2  GLN   3           HB2      GLN   3  15.210  -3.718   7.333
   14    HB3  GLN   3           HB1      GLN   3  13.540  -4.161   6.994
   15    HG2  GLN   3           HG2      GLN   3  14.329  -5.458   5.039
   16    HG3  GLN   3           HG1      GLN   3  15.987  -5.085   5.505
   17   HE21  GLN   3          HE21      GLN   3  16.954  -6.643   6.572
   18   HE22  GLN   3          HE22      GLN   3  16.190  -7.791   7.615
   19    H    LYS   4           HN       LYS   4  15.892  -1.027   6.583
   20    HA   LYS   4           HA       LYS   4  13.701   0.590   7.687
   21    HB2  LYS   4           HB2      LYS   4  15.617   0.174   9.190
   22    HB3  LYS   4           HB1      LYS   4  16.703   0.879   8.002
   23    HG2  LYS   4           HG2      LYS   4  16.250   2.459   9.774
   24    HG3  LYS   4           HG1      LYS   4  15.574   3.038   8.250
   25    HD2  LYS   4           HD2      LYS   4  13.997   3.432  10.041
   26    HD3  LYS   4           HD1      LYS   4  13.358   2.198   8.954
   27    HE2  LYS   4           HE2      LYS   4  12.986   1.590  11.288
   28    HE3  LYS   4           HE1      LYS   4  14.081   0.452  10.502
   29    HZ1  LYS   4           HZ1      LYS   4  15.773   1.031  11.835
   30    HZ2  LYS   4           HZ2      LYS   4  14.557   1.622  12.864
   31    HZ3  LYS   4           HZ3      LYS   4  15.381   2.685  11.821
   32    H    ALA   5           HN       ALA   5  16.230   0.442   5.328
   33    HA   ALA   5           HA       ALA   5  16.627   1.517   3.388
   34    HB1  ALA   5           HB1      ALA   5  14.222   1.147   3.044
   35    HB2  ALA   5           HB2      ALA   5  14.807   2.612   2.253
   36    HB3  ALA   5           HB3      ALA   5  13.897   2.726   3.760
   37    H    LEU   6           HN       LEU   6  16.396   3.855   2.318
   38    HA   LEU   6           HA       LEU   6  17.670   5.640   4.255
   39    HB2  LEU   6           HB2      LEU   6  17.692   5.705   1.231
   40    HB3  LEU   6           HB1      LEU   6  18.497   6.870   2.258
   41    HG   LEU   6           HG       LEU   6  19.908   4.979   3.151
   42   HD11  LEU   6          HD11      LEU   6  19.770   3.215   0.978
   43   HD12  LEU   6          HD12      LEU   6  18.116   3.427   1.548
   44   HD13  LEU   6          HD13      LEU   6  19.371   2.890   2.664
   45   HD21  LEU   6          HD21      LEU   6  21.395   5.775   1.724
   46   HD22  LEU   6          HD22      LEU   6  20.088   6.431   0.736
   47   HD23  LEU   6          HD23      LEU   6  20.699   4.804   0.426
   48    H    GLU   7           HN       GLU   7  15.729   6.132   1.315
   49    HA   GLU   7           HA       GLU   7  14.473   8.457   2.548
   50    HB2  GLU   7           HB2      GLU   7  15.395   8.677   0.293
   51    HB3  GLU   7           HB1      GLU   7  14.361   7.376  -0.276
   52    HG2  GLU   7           HG2      GLU   7  12.392   8.743   0.152
   53    HG3  GLU   7           HG1      GLU   7  13.419  10.042   0.756
   54    H    GLU   8           HN       GLU   8  13.729   5.192   1.740
   55    HA   GLU   8           HA       GLU   8  11.011   5.378   1.275
   56    HB2  GLU   8           HB2      GLU   8  12.554   3.023   2.364
   57    HB3  GLU   8           HB1      GLU   8  10.923   2.952   1.709
   58    HG2  GLU   8           HG2      GLU   8  11.800   3.784  -0.448
   59    HG3  GLU   8           HG1      GLU   8  13.428   3.706   0.223
   60    H    GLN   9           HN       GLN   9  12.654   5.465   4.305
   61    HA   GLN   9           HA       GLN   9  10.322   4.800   5.862
   62    HB2  GLN   9           HB2      GLN   9  11.747   5.707   7.767
   63    HB3  GLN   9           HB1      GLN   9  12.368   4.297   6.922
   64    HG2  GLN   9           HG2      GLN   9  14.153   5.851   7.374
   65    HG3  GLN   9           HG1      GLN   9  13.878   5.744   5.639
   66   HE21  GLN   9          HE21      GLN   9  13.770   7.575   4.574
   67   HE22  GLN   9          HE22      GLN   9  13.444   9.133   5.265
   68    H    MET  10           HN       MET  10  10.670   7.225   3.861
   69    HA   MET  10           HA       MET  10   9.759   9.325   5.714
   70    HB2  MET  10           HB2      MET  10  11.716   9.887   4.359
   71    HB3  MET  10           HB1      MET  10  10.817   9.543   2.889
   72    HG2  MET  10           HG2      MET  10   9.283  11.389   3.425
   73    HG3  MET  10           HG1      MET  10  10.250  11.750   4.855
   74    HE1  MET  10           HE1      MET  10  13.215  11.159   3.707
   75    HE2  MET  10           HE2      MET  10  12.798  12.522   4.746
   76    HE3  MET  10           HE3      MET  10  13.676  12.797   3.242
   77    H    ASN  11           HN       ASN  11   9.157   8.793   2.257
   78    HA   ASN  11           HA       ASN  11   6.300   9.299   2.747
   79    HB2  ASN  11           HB2      ASN  11   6.176   9.500   0.257
   80    HB3  ASN  11           HB1      ASN  11   7.088  10.790   1.061
   81   HD21  ASN  11          HD21      ASN  11   7.038   8.904  -1.571
   82   HD22  ASN  11          HD22      ASN  11   8.730   8.793  -1.915
   83    H    SER  12           HN       SER  12   8.584   7.117   1.462
   84    HA   SER  12           HA       SER  12   7.101   5.685  -0.232
   85    HB2  SER  12           HB2      SER  12   9.534   5.409   0.072
   86    HB3  SER  12           HB1      SER  12   9.244   4.686   1.667
   87    HG   SER  12           HG       SER  12   9.388   3.447  -0.665
   88    H    ILE  13           HN       ILE  13   7.904   4.437   2.968
   89    HA   ILE  13           HA       ILE  13   5.652   2.614   2.903
   90    HB   ILE  13           HB       ILE  13   7.855   2.997   4.941
   91   HG12  ILE  13          HG12      ILE  13   7.675   1.128   2.577
   92   HG13  ILE  13          HG11      ILE  13   8.722   2.561   2.730
   93   HG21  ILE  13          HG21      ILE  13   5.763   1.693   5.628
   94   HG22  ILE  13          HG22      ILE  13   7.312   0.870   5.817
   95   HG23  ILE  13          HG23      ILE  13   6.270   0.484   4.447
   96   HD11  ILE  13          HD11      ILE  13   9.636   0.139   3.180
   97   HD12  ILE  13          HD12      ILE  13   8.923   0.401   4.773
   98   HD13  ILE  13          HD13      ILE  13  10.159   1.505   4.166
   99    H    ASN  14           HN       ASN  14   6.351   5.668   4.126
  100    HA   ASN  14           HA       ASN  14   4.424   5.418   6.319
  101    HB2  ASN  14           HB2      ASN  14   6.262   7.709   5.603
  102    HB3  ASN  14           HB1      ASN  14   5.151   7.687   6.970
  103   HD21  ASN  14          HD21      ASN  14   6.098   7.223   8.816
  104   HD22  ASN  14          HD22      ASN  14   7.459   6.181   9.033
  105    H    SER  15           HN       SER  15   5.005   7.695   3.616
  106    HA   SER  15           HA       SER  15   2.436   8.860   3.834
  107    HB2  SER  15           HB2      SER  15   4.334   8.911   1.490
  108    HB3  SER  15           HB1      SER  15   2.913   9.944   1.692
  109    HG   SER  15           HG       SER  15   4.047  10.457   3.834
  110    H    VAL  16           HN       VAL  16   3.484   5.892   2.557
  111    HA   VAL  16           HA       VAL  16   1.624   5.432   0.489
  112    HB   VAL  16           HB       VAL  16   3.486   3.850   1.045
  113   HG11  VAL  16          HG11      VAL  16   3.026   2.154   2.821
  114   HG12  VAL  16          HG12      VAL  16   1.779   3.242   3.430
  115   HG13  VAL  16          HG13      VAL  16   3.462   3.764   3.392
  116   HG21  VAL  16          HG21      VAL  16   1.862   2.960  -0.397
  117   HG22  VAL  16          HG22      VAL  16   0.672   2.800   0.902
  118   HG23  VAL  16          HG23      VAL  16   2.079   1.737   0.854
  119    H    ASN  17           HN       ASN  17   1.369   5.362   3.979
  120    HA   ASN  17           HA       ASN  17  -1.241   4.231   4.113
  121    HB2  ASN  17           HB2      ASN  17   0.209   6.031   6.076
  122    HB3  ASN  17           HB1      ASN  17  -1.277   5.156   6.417
  123   HD21  ASN  17          HD21      ASN  17  -0.936   3.453   7.621
  124   HD22  ASN  17          HD22      ASN  17   0.447   2.417   7.562
  125    H    ASP  18           HN       ASP  18   0.061   7.504   3.929
  126    HA   ASP  18           HA       ASP  18  -2.275   8.876   4.493
  127    HB2  ASP  18           HB2      ASP  18   0.115   9.625   2.826
  128    HB3  ASP  18           HB1      ASP  18  -1.173  10.745   3.200
  129    H    LYS  19           HN       LYS  19  -1.630   7.115   1.611
  130    HA   LYS  19           HA       LYS  19  -3.684   8.619   0.098
  131    HB2  LYS  19           HB2      LYS  19  -2.134   6.146  -0.703
  132    HB3  LYS  19           HB1      LYS  19  -3.364   6.920  -1.683
  133    HG2  LYS  19           HG2      LYS  19  -1.264   7.568  -2.546
  134    HG3  LYS  19           HG1      LYS  19  -1.965   8.983  -1.742
  135    HD2  LYS  19           HD2      LYS  19   0.342   8.902  -1.187
  136    HD3  LYS  19           HD1      LYS  19  -0.556   8.393   0.244
  137    HE2  LYS  19           HE2      LYS  19   1.338   6.943  -0.060
  138    HE3  LYS  19           HE1      LYS  19  -0.146   6.044  -0.360
  139    HZ1  LYS  19           HZ1      LYS  19   0.702   7.114  -2.799
  140    HZ2  LYS  19           HZ2      LYS  19   0.669   5.486  -2.328
  141    HZ3  LYS  19           HZ3      LYS  19   2.062   6.412  -2.058
  142    H    LEU  20           HN       LEU  20  -2.946   5.511   1.413
  143    HA   LEU  20           HA       LEU  20  -5.306   4.213   0.783
  144    HB2  LEU  20           HB2      LEU  20  -3.427   3.818   3.096
  145    HB3  LEU  20           HB1      LEU  20  -4.563   2.614   2.492
  146    HG   LEU  20           HG       LEU  20  -2.228   3.748   0.951
  147   HD11  LEU  20          HD11      LEU  20  -2.259   0.902   1.476
  148   HD12  LEU  20          HD12      LEU  20  -2.168   1.873   2.946
  149   HD13  LEU  20          HD13      LEU  20  -0.965   2.083   1.673
  150   HD21  LEU  20          HD21      LEU  20  -3.841   1.363   0.148
  151   HD22  LEU  20          HD22      LEU  20  -2.827   2.413  -0.840
  152   HD23  LEU  20          HD23      LEU  20  -4.394   2.985  -0.267
  153    H    ASN  21           HN       ASN  21  -4.336   6.175   3.493
  154    HA   ASN  21           HA       ASN  21  -6.600   5.665   5.122
  155    HB2  ASN  21           HB2      ASN  21  -4.452   7.786   5.152
  156    HB3  ASN  21           HB1      ASN  21  -5.761   7.791   6.328
  157   HD21  ASN  21          HD21      ASN  21  -4.963   4.623   5.492
  158   HD22  ASN  21          HD22      ASN  21  -3.899   4.281   6.824
  159    H    LYS  22           HN       LYS  22  -8.523   6.103   4.014
  160    HA   LYS  22           HA       LYS  22  -8.739   8.790   2.817
  161    HB2  LYS  22           HB2      LYS  22 -10.062   6.195   2.032
  162    HB3  LYS  22           HB1      LYS  22 -10.442   7.759   1.304
  163    HG2  LYS  22           HG2      LYS  22  -7.660   6.604   1.293
  164    HG3  LYS  22           HG1      LYS  22  -8.843   6.226   0.046
  165    HD2  LYS  22           HD2      LYS  22  -7.365   7.994  -0.698
  166    HD3  LYS  22           HD1      LYS  22  -8.990   8.624  -0.508
  167    HE2  LYS  22           HE2      LYS  22  -8.352   9.601   1.648
  168    HE3  LYS  22           HE1      LYS  22  -6.721   8.962   1.443
  169    HZ1  LYS  22           HZ1      LYS  22  -7.020  11.352   0.817
  170    HZ2  LYS  22           HZ2      LYS  22  -7.983  10.838  -0.482
  171    HZ3  LYS  22           HZ3      LYS  22  -6.355  10.376  -0.405
  172    H    GLY  23           HN       GLY  23  -9.686   7.587   5.589
  173    HA2  GLY  23           HA2      GLY  23 -11.211   8.616   7.018
  174    HA3  GLY  23           HA1      GLY  23 -12.034   9.255   5.587
  175    H    LYS  24           HN       LYS  24 -13.287   7.646   4.284
  176    HA   LYS  24           HA       LYS  24 -15.200   6.233   5.765
  177    HB2  LYS  24           HB2      LYS  24 -15.361   6.916   3.343
  178    HB3  LYS  24           HB1      LYS  24 -14.254   5.585   2.953
  179    HG2  LYS  24           HG2      LYS  24 -16.477   4.901   2.459
  180    HG3  LYS  24           HG1      LYS  24 -15.929   4.011   3.881
  181    HD2  LYS  24           HD2      LYS  24 -17.225   5.392   5.334
  182    HD3  LYS  24           HD1      LYS  24 -17.616   6.505   4.018
  183    HE2  LYS  24           HE2      LYS  24 -18.859   4.750   2.881
  184    HE3  LYS  24           HE1      LYS  24 -18.447   3.604   4.161
  185    HZ1  LYS  24           HZ1      LYS  24 -19.587   5.307   5.693
  186    HZ2  LYS  24           HZ2      LYS  24 -20.565   4.310   4.723
  187    HZ3  LYS  24           HZ3      LYS  24 -20.278   5.920   4.263
  188    H    GLY  25           HN       GLY  25 -12.551   4.979   3.816
  189    HA2  GLY  25           HA2      GLY  25 -11.944   3.017   5.843
  190    HA3  GLY  25           HA1      GLY  25 -12.308   2.403   4.254
  191    H    LYS  26           HN       LYS  26  -9.936   2.083   5.577
  192    HA   LYS  26           HA       LYS  26  -8.057   3.636   3.976
  193    HB2  LYS  26           HB2      LYS  26  -6.958   4.028   6.254
  194    HB3  LYS  26           HB1      LYS  26  -8.403   4.968   5.866
  195    HG2  LYS  26           HG2      LYS  26  -9.698   3.135   6.991
  196    HG3  LYS  26           HG1      LYS  26  -8.145   2.549   7.622
  197    HD2  LYS  26           HD2      LYS  26  -9.006   3.938   9.322
  198    HD3  LYS  26           HD1      LYS  26  -7.837   4.961   8.477
  199    HE2  LYS  26           HE2      LYS  26  -9.722   5.871   7.114
  200    HE3  LYS  26           HE1      LYS  26 -10.827   4.936   8.112
  201    HZ1  LYS  26           HZ1      LYS  26 -10.666   7.224   8.893
  202    HZ2  LYS  26           HZ2      LYS  26  -9.000   7.035   9.144
  203    HZ3  LYS  26           HZ3      LYS  26 -10.103   6.129  10.062
  204    H    LEU  27           HN       LEU  27  -5.849   2.872   4.190
  205    HA   LEU  27           HA       LEU  27  -5.621   0.144   5.192
  206    HB2  LEU  27           HB2      LEU  27  -5.961  -0.228   2.961
  207    HB3  LEU  27           HB1      LEU  27  -4.924   1.127   2.463
  208    HG   LEU  27           HG       LEU  27  -2.962  -0.115   3.257
  209   HD11  LEU  27          HD11      LEU  27  -4.886  -1.753   4.525
  210   HD12  LEU  27          HD12      LEU  27  -3.129  -1.892   4.577
  211   HD13  LEU  27          HD13      LEU  27  -4.044  -2.751   3.338
  212   HD21  LEU  27          HD21      LEU  27  -4.267  -0.408   0.917
  213   HD22  LEU  27          HD22      LEU  27  -4.217  -2.086   1.460
  214   HD23  LEU  27          HD23      LEU  27  -2.719  -1.173   1.280
  215    H    SER  28           HN       SER  28  -3.665  -0.427   6.014
  216    HA   SER  28           HA       SER  28  -1.580   1.628   6.189
  217    HB2  SER  28           HB2      SER  28  -2.803   0.037   8.463
  218    HB3  SER  28           HB1      SER  28  -1.440   1.143   8.633
  219    HG   SER  28           HG       SER  28  -3.946   1.757   8.884
  220    H    LEU  29           HN       LEU  29   0.549   0.786   6.380
  221    HA   LEU  29           HA       LEU  29   0.741  -2.120   6.573
  222    HB2  LEU  29           HB2      LEU  29   2.445  -0.845   4.500
  223    HB3  LEU  29           HB1      LEU  29   1.762  -2.483   4.583
  224    HG   LEU  29           HG       LEU  29  -0.511  -1.166   4.203
  225   HD11  LEU  29          HD11      LEU  29   0.984   0.562   2.402
  226   HD12  LEU  29          HD12      LEU  29   1.210   0.938   4.110
  227   HD13  LEU  29          HD13      LEU  29  -0.413   0.902   3.421
  228   HD21  LEU  29          HD21      LEU  29   0.688  -2.909   2.751
  229   HD22  LEU  29          HD22      LEU  29   1.309  -1.532   1.838
  230   HD23  LEU  29          HD23      LEU  29  -0.430  -1.806   1.950
  231    H    SER  30           HN       SER  30   2.633  -2.902   7.364
  232    HA   SER  30           HA       SER  30   4.843  -1.095   7.951
  233    HB2  SER  30           HB2      SER  30   3.482  -2.752  10.100
  234    HB3  SER  30           HB1      SER  30   4.916  -1.749  10.312
  235    HG   SER  30           HG       SER  30   3.715   0.054  10.161
  236    H    MET  31           HN       MET  31   6.697  -2.471   8.937
  237    HA   MET  31           HA       MET  31   6.508  -5.257   7.998
  238    HB2  MET  31           HB2      MET  31   8.896  -3.447   7.538
  239    HB3  MET  31           HB1      MET  31   8.775  -5.176   7.121
  240    HG2  MET  31           HG2      MET  31   7.010  -4.675   5.527
  241    HG3  MET  31           HG1      MET  31   7.069  -2.968   5.963
  242    HE1  MET  31           HE1      MET  31   8.566  -3.058   2.326
  243    HE2  MET  31           HE2      MET  31   7.379  -2.286   3.376
  244    HE3  MET  31           HE3      MET  31   7.234  -4.002   2.993
  245    H    ASN  32           HN       ASN  32   6.678  -6.437   9.722
  246    HA   ASN  32           HA       ASN  32   8.371  -5.597  11.952
  247    HB2  ASN  32           HB2      ASN  32   6.024  -6.517  12.312
  248    HB3  ASN  32           HB1      ASN  32   6.635  -8.076  11.732
  249   HD21  ASN  32          HD21      ASN  32   5.962  -6.350  14.421
  250   HD22  ASN  32          HD22      ASN  32   7.019  -7.144  15.553
  251    H    GLY  33           HN       GLY  33  10.411  -5.893  10.958
  252    HA2  GLY  33           HA2      GLY  33  12.341  -7.161  10.572
  253    HA3  GLY  33           HA1      GLY  33  11.399  -8.624  10.949
  254    H    ASN  34           HN       ASN  34  11.399  -9.960   9.261
  255    HA   ASN  34           HA       ASN  34  11.445  -8.900   6.528
  256    HB2  ASN  34           HB2      ASN  34  11.550 -11.756   7.536
  257    HB3  ASN  34           HB1      ASN  34  11.632 -11.287   5.846
  258   HD21  ASN  34          HD21      ASN  34  13.226  -8.940   7.512
  259   HD22  ASN  34          HD22      ASN  34  14.844  -9.577   7.414
  260    H    GLN  35           HN       GLN  35   9.122  -8.525   8.237
  261    HA   GLN  35           HA       GLN  35   7.157 -10.293   6.944
  262    HB2  GLN  35           HB2      GLN  35   7.424 -10.455   9.414
  263    HB3  GLN  35           HB1      GLN  35   6.932  -8.767   9.522
  264    HG2  GLN  35           HG2      GLN  35   5.108 -10.295  10.059
  265    HG3  GLN  35           HG1      GLN  35   4.748  -9.313   8.642
  266   HE21  GLN  35          HE21      GLN  35   4.528 -12.319   9.893
  267   HE22  GLN  35          HE22      GLN  35   4.453 -13.249   8.423
  268    H    LEU  36           HN       LEU  36   5.124  -9.436   6.390
  269    HA   LEU  36           HA       LEU  36   5.051  -6.524   6.014
  270    HB2  LEU  36           HB2      LEU  36   5.425  -7.520   3.926
  271    HB3  LEU  36           HB1      LEU  36   4.210  -8.767   4.191
  272    HG   LEU  36           HG       LEU  36   3.624  -7.051   2.459
  273   HD11  LEU  36          HD11      LEU  36   1.983  -8.018   4.603
  274   HD12  LEU  36          HD12      LEU  36   1.558  -7.713   2.918
  275   HD13  LEU  36          HD13      LEU  36   1.430  -6.419   4.109
  276   HD21  LEU  36          HD21      LEU  36   4.487  -5.032   3.260
  277   HD22  LEU  36          HD22      LEU  36   3.741  -5.224   4.847
  278   HD23  LEU  36          HD23      LEU  36   2.741  -4.856   3.443
  279    H    LYS  37           HN       LYS  37   3.449  -5.537   6.947
  280    HA   LYS  37           HA       LYS  37   1.231  -7.142   8.053
  281    HB2  LYS  37           HB2      LYS  37   2.699  -4.818   9.335
  282    HB3  LYS  37           HB1      LYS  37   1.488  -5.868  10.104
  283    HG2  LYS  37           HG2      LYS  37   4.146  -6.835   9.047
  284    HG3  LYS  37           HG1      LYS  37   3.872  -6.339  10.729
  285    HD2  LYS  37           HD2      LYS  37   2.390  -8.557   9.314
  286    HD3  LYS  37           HD1      LYS  37   3.780  -8.801  10.357
  287    HE2  LYS  37           HE2      LYS  37   1.783  -9.281  11.599
  288    HE3  LYS  37           HE1      LYS  37   2.506  -7.806  12.232
  289    HZ1  LYS  37           HZ1      LYS  37   0.451  -7.506  10.174
  290    HZ2  LYS  37           HZ2      LYS  37   0.767  -6.554  11.544
  291    HZ3  LYS  37           HZ3      LYS  37  -0.065  -8.024  11.704
  292    H    ALA  38           HN       ALA  38  -0.711  -6.419   7.314
  293    HA   ALA  38           HA       ALA  38  -0.943  -3.539   6.713
  294    HB1  ALA  38           HB1      ALA  38  -1.661  -4.053   4.691
  295    HB2  ALA  38           HB2      ALA  38  -2.941  -5.060   5.371
  296    HB3  ALA  38           HB3      ALA  38  -1.353  -5.756   5.035
  297    H    THR  39           HN       THR  39  -2.880  -2.532   7.059
  298    HA   THR  39           HA       THR  39  -4.945  -3.899   8.560
  299    HB   THR  39           HB       THR  39  -4.943  -1.818  10.125
  300    HG1  THR  39           HG1      THR  39  -2.245  -1.881   9.274
  301   HG21  THR  39          HG21      THR  39  -4.550  -3.543  11.480
  302   HG22  THR  39          HG22      THR  39  -2.863  -3.036  11.383
  303   HG23  THR  39          HG23      THR  39  -3.461  -4.321  10.333
  304    H    SER  40           HN       SER  40  -6.846  -3.319   7.878
  305    HA   SER  40           HA       SER  40  -7.209  -0.726   6.490
  306    HB2  SER  40           HB2      SER  40  -9.298  -1.807   5.607
  307    HB3  SER  40           HB1      SER  40  -7.777  -2.457   4.987
  308    HG   SER  40           HG       SER  40  -9.237  -3.585   7.159
  309    H    SER  41           HN       SER  41  -8.461   0.686   7.551
  310    HA   SER  41           HA       SER  41  -9.734  -0.349   9.989
  311    HB2  SER  41           HB2      SER  41  -8.110   1.394  10.407
  312    HB3  SER  41           HB1      SER  41  -8.923   2.478   9.279
  313    HG   SER  41           HG       SER  41  -9.388   2.140  11.884
  314    H    ASN  42           HN       ASN  42 -11.742   0.447  10.704
  315    HA   ASN  42           HA       ASN  42 -13.953   0.892  10.520
  316    HB2  ASN  42           HB2      ASN  42 -13.268   1.910   7.753
  317    HB3  ASN  42           HB1      ASN  42 -14.934   1.891   8.440
  318   HD21  ASN  42          HD21      ASN  42 -12.264   3.747   7.974
  319   HD22  ASN  42          HD22      ASN  42 -12.497   4.913   9.253
  320    H    ALA  43           HN       ALA  43 -12.220  -1.370   9.335
  321    HA   ALA  43           HA       ALA  43 -12.544  -3.489   8.542
  322    HB1  ALA  43           HB1      ALA  43 -14.483  -4.551   9.681
  323    HB2  ALA  43           HB2      ALA  43 -14.983  -2.943  10.206
  324    HB3  ALA  43           HB3      ALA  43 -13.433  -3.601  10.735
  325    H    GLY  44           HN       GLY  44 -12.980  -2.368   6.220
  326    HA2  GLY  44           HA2      GLY  44 -14.051  -3.791   4.503
  327    HA3  GLY  44           HA1      GLY  44 -15.549  -3.480   5.419
  328    H    TYR  45           HN       TYR  45 -14.455  -0.601   5.654
  329    HA   TYR  45           HA       TYR  45 -16.049   0.344   3.483
  330    HB2  TYR  45           HB2      TYR  45 -14.360   1.861   5.491
  331    HB3  TYR  45           HB1      TYR  45 -15.419   2.620   4.290
  332    HD1  TYR  45           HD1      TYR  45 -16.600   3.762   6.153
  333    HD2  TYR  45           HD2      TYR  45 -16.563  -0.485   5.853
  334    HE1  TYR  45           HE1      TYR  45 -18.494   3.640   7.699
  335    HE2  TYR  45           HE2      TYR  45 -18.456  -0.611   7.410
  336    HH   TYR  45           HH       TYR  45 -20.044   0.559   8.490
  337    H    GLY  46           HN       GLY  46 -15.413   1.883   1.872
  338    HA2  GLY  46           HA2      GLY  46 -12.650   1.466   0.883
  339    HA3  GLY  46           HA1      GLY  46 -14.038   1.901  -0.119
  340    H    ILE  47           HN       ILE  47 -12.739   3.667  -0.900
  341    HA   ILE  47           HA       ILE  47 -11.583   5.736   0.542
  342    HB   ILE  47           HB       ILE  47 -13.270   6.349  -1.798
  343   HG12  ILE  47          HG12      ILE  47 -11.195   5.665  -3.142
  344   HG13  ILE  47          HG11      ILE  47 -10.977   4.519  -1.816
  345   HG21  ILE  47          HG21      ILE  47 -10.436   7.173  -1.367
  346   HG22  ILE  47          HG22      ILE  47 -11.761   7.998  -0.546
  347   HG23  ILE  47          HG23      ILE  47 -11.692   7.980  -2.308
  348   HD11  ILE  47          HD11      ILE  47 -13.688   4.401  -2.533
  349   HD12  ILE  47          HD12      ILE  47 -12.441   3.186  -2.819
  350   HD13  ILE  47          HD13      ILE  47 -12.781   4.408  -4.046
  351    H    SER  48           HN       SER  48 -14.658   5.523  -0.952
  352    HA   SER  48           HA       SER  48 -16.420   6.483   0.969
  353    HB2  SER  48           HB2      SER  48 -15.144   8.625   0.771
  354    HB3  SER  48           HB1      SER  48 -15.467   8.632  -0.979
  355    HG   SER  48           HG       SER  48 -17.110   9.810  -0.284
  356    H    TYR  49           HN       TYR  49 -17.040   8.172  -1.847
  357    HA   TYR  49           HA       TYR  49 -17.889   5.772  -3.294
  358    HB2  TYR  49           HB2      TYR  49 -19.413   8.351  -3.026
  359    HB3  TYR  49           HB1      TYR  49 -19.633   7.280  -4.414
  360    HD1  TYR  49           HD1      TYR  49 -21.816   6.207  -4.107
  361    HD2  TYR  49           HD2      TYR  49 -19.182   6.614  -0.759
  362    HE1  TYR  49           HE1      TYR  49 -23.361   4.927  -2.724
  363    HE2  TYR  49           HE2      TYR  49 -20.748   5.325   0.615
  364    HH   TYR  49           HH       TYR  49 -23.809   4.117  -0.717
  365    H    GLU  50           HN       GLU  50 -15.709   5.986  -4.104
  366    HA   GLU  50           HA       GLU  50 -15.624   7.794  -6.397
  367    HB2  GLU  50           HB2      GLU  50 -13.428   7.475  -4.367
  368    HB3  GLU  50           HB1      GLU  50 -13.180   8.170  -5.960
  369    HG2  GLU  50           HG2      GLU  50 -15.037   9.248  -3.858
  370    HG3  GLU  50           HG1      GLU  50 -13.419   9.833  -4.245
  371    H    ASP  51           HN       ASP  51 -13.166   7.204  -7.385
  372    HA   ASP  51           HA       ASP  51 -12.860   4.317  -7.347
  373    HB2  ASP  51           HB2      ASP  51 -12.953   5.721 -10.020
  374    HB3  ASP  51           HB1      ASP  51 -12.759   3.989  -9.716
  375    H    LYS  52           HN       LYS  52 -10.780   3.652  -7.400
  376    HA   LYS  52           HA       LYS  52  -8.719   5.405  -8.434
  377    HB2  LYS  52           HB2      LYS  52  -8.635   4.348  -5.629
  378    HB3  LYS  52           HB1      LYS  52  -7.268   5.057  -6.466
  379    HG2  LYS  52           HG2      LYS  52  -8.052   6.759  -5.098
  380    HG3  LYS  52           HG1      LYS  52  -8.708   7.148  -6.687
  381    HD2  LYS  52           HD2      LYS  52 -10.855   6.074  -6.004
  382    HD3  LYS  52           HD1      LYS  52 -10.167   5.854  -4.388
  383    HE2  LYS  52           HE2      LYS  52 -10.556   8.497  -5.794
  384    HE3  LYS  52           HE1      LYS  52 -11.539   7.872  -4.469
  385    HZ1  LYS  52           HZ1      LYS  52 -10.002   9.374  -3.526
  386    HZ2  LYS  52           HZ2      LYS  52  -8.689   8.714  -4.383
  387    HZ3  LYS  52           HZ3      LYS  52  -9.421   7.826  -3.139
  388    H    ASN  53           HN       ASN  53  -6.801   4.278  -8.978
  389    HA   ASN  53           HA       ASN  53  -6.992   1.355  -8.686
  390    HB2  ASN  53           HB2      ASN  53  -5.995   2.921 -11.062
  391    HB3  ASN  53           HB1      ASN  53  -5.556   1.226 -10.789
  392   HD21  ASN  53          HD21      ASN  53  -8.643   1.780  -9.576
  393   HD22  ASN  53          HD22      ASN  53  -9.516   1.155 -10.950
  394    H    TRP  54           HN       TRP  54  -5.223   0.309  -7.956
  395    HA   TRP  54           HA       TRP  54  -2.938   2.021  -7.308
  396    HB2  TRP  54           HB2      TRP  54  -4.618   0.367  -5.558
  397    HB3  TRP  54           HB1      TRP  54  -2.863   0.136  -5.349
  398    HD1  TRP  54           HD1      TRP  54  -5.120   3.317  -5.763
  399    HE1  TRP  54           HE1      TRP  54  -4.155   5.082  -4.145
  400    HE3  TRP  54           HE3      TRP  54  -1.385   0.558  -3.734
  401    HZ2  TRP  54           HZ2      TRP  54  -1.994   5.223  -2.314
  402    HZ3  TRP  54           HZ3      TRP  54   0.059   1.586  -2.063
  403    HH2  TRP  54           HH2      TRP  54  -0.253   3.862  -1.341
  404    H    GLY  55           HN       GLY  55  -0.915   1.121  -7.020
  405    HA2  GLY  55           HA2      GLY  55  -0.623  -1.651  -7.869
  406    HA3  GLY  55           HA1      GLY  55   0.320  -0.443  -8.734
  407    H    ILE  56           HN       ILE  56   1.317  -2.543  -7.337
  408    HA   ILE  56           HA       ILE  56   2.972  -1.231  -5.272
  409    HB   ILE  56           HB       ILE  56   1.842  -4.060  -5.218
  410   HG12  ILE  56          HG12      ILE  56   1.497  -1.857  -3.177
  411   HG13  ILE  56          HG11      ILE  56   0.316  -2.152  -4.472
  412   HG21  ILE  56          HG21      ILE  56   3.834  -4.482  -4.235
  413   HG22  ILE  56          HG22      ILE  56   3.007  -3.811  -2.827
  414   HG23  ILE  56          HG23      ILE  56   4.092  -2.797  -3.779
  415   HD11  ILE  56          HD11      ILE  56  -0.044  -4.407  -3.596
  416   HD12  ILE  56          HD12      ILE  56  -0.354  -3.181  -2.365
  417   HD13  ILE  56          HD13      ILE  56   1.145  -4.109  -2.327
  418    H    PHE  57           HN       PHE  57   4.629  -0.919  -6.763
  419    HA   PHE  57           HA       PHE  57   5.249  -3.079  -8.566
  420    HB2  PHE  57           HB2      PHE  57   6.496  -0.318  -8.443
  421    HB3  PHE  57           HB1      PHE  57   6.666  -1.497  -9.760
  422    HD1  PHE  57           HD1      PHE  57   5.069  -1.654 -11.459
  423    HD2  PHE  57           HD2      PHE  57   4.222   0.718  -8.017
  424    HE1  PHE  57           HE1      PHE  57   3.092  -0.717 -12.585
  425    HE2  PHE  57           HE2      PHE  57   2.252   1.642  -9.142
  426    HZ   PHE  57           HZ       PHE  57   1.667   0.915 -11.412
  427    H    VAL  58           HN       VAL  58   6.388  -4.660  -7.700
  428    HA   VAL  58           HA       VAL  58   8.748  -4.127  -6.086
  429    HB   VAL  58           HB       VAL  58   7.568  -6.748  -7.060
  430   HG11  VAL  58          HG11      VAL  58   9.717  -6.468  -4.988
  431   HG12  VAL  58          HG12      VAL  58  10.108  -6.648  -6.700
  432   HG13  VAL  58          HG13      VAL  58   9.200  -7.910  -5.865
  433   HG21  VAL  58          HG21      VAL  58   6.593  -6.989  -5.008
  434   HG22  VAL  58          HG22      VAL  58   6.501  -5.237  -5.184
  435   HG23  VAL  58          HG23      VAL  58   7.780  -5.959  -4.202
  436    H    ASN  59           HN       ASN  59  10.326  -3.271  -7.243
  437    HA   ASN  59           HA       ASN  59  11.974  -2.969  -8.766
  438    HB2  ASN  59           HB2      ASN  59  11.542  -5.912  -9.342
  439    HB3  ASN  59           HB1      ASN  59  12.918  -4.945  -9.920
  440   HD21  ASN  59          HD21      ASN  59  14.678  -5.130  -8.754
  441   HD22  ASN  59          HD22      ASN  59  14.760  -5.531  -7.075
  442    H    GLY  60           HN       GLY  60   9.518  -2.097  -9.623
  443    HA2  GLY  60           HA2      GLY  60   8.977  -1.140 -11.730
  444    HA3  GLY  60           HA1      GLY  60   9.889  -2.457 -12.496
  445    H    GLU  61           HN       GLU  61   8.618  -4.478 -10.956
  446    HA   GLU  61           HA       GLU  61   6.376  -4.887 -12.730
  447    HB2  GLU  61           HB2      GLU  61   8.054  -6.656 -12.335
  448    HB3  GLU  61           HB1      GLU  61   7.610  -6.692 -10.632
  449    HG2  GLU  61           HG2      GLU  61   6.618  -8.553 -11.783
  450    HG3  GLU  61           HG1      GLU  61   5.355  -7.433 -11.250
  451    H    LYS  62           HN       LYS  62   4.345  -4.401 -12.206
  452    HA   LYS  62           HA       LYS  62   3.567  -3.732  -9.532
  453    HB2  LYS  62           HB2      LYS  62   2.535  -2.668 -11.514
  454    HB3  LYS  62           HB1      LYS  62   1.861  -4.243 -11.990
  455    HG2  LYS  62           HG2      LYS  62   0.451  -4.278 -10.036
  456    HG3  LYS  62           HG1      LYS  62   1.204  -2.780  -9.424
  457    HD2  LYS  62           HD2      LYS  62  -0.964  -2.329 -10.471
  458    HD3  LYS  62           HD1      LYS  62   0.352  -1.563 -11.368
  459    HE2  LYS  62           HE2      LYS  62   0.315  -3.443 -12.967
  460    HE3  LYS  62           HE1      LYS  62  -1.042  -4.144 -12.085
  461    HZ1  LYS  62           HZ1      LYS  62  -2.344  -2.151 -12.601
  462    HZ2  LYS  62           HZ2      LYS  62  -1.804  -2.929 -14.012
  463    HZ3  LYS  62           HZ3      LYS  62  -1.031  -1.515 -13.478
  464    H    VAL  63           HN       VAL  63   3.781  -5.378  -8.174
  465    HA   VAL  63           HA       VAL  63   3.307  -8.050  -8.920
  466    HB   VAL  63           HB       VAL  63   5.033  -7.336  -7.383
  467   HG11  VAL  63          HG11      VAL  63   3.714  -5.661  -6.143
  468   HG12  VAL  63          HG12      VAL  63   4.594  -6.772  -5.093
  469   HG13  VAL  63          HG13      VAL  63   2.860  -6.979  -5.338
  470   HG21  VAL  63          HG21      VAL  63   5.150  -9.345  -6.471
  471   HG22  VAL  63          HG22      VAL  63   3.627  -9.656  -7.310
  472   HG23  VAL  63          HG23      VAL  63   3.617  -9.159  -5.616
  473    H    TYR  64           HN       TYR  64   1.385  -5.654  -7.270
  474    HA   TYR  64           HA       TYR  64  -0.873  -7.496  -7.331
  475    HB2  TYR  64           HB2      TYR  64   0.083  -7.637  -5.033
  476    HB3  TYR  64           HB1      TYR  64  -0.200  -5.891  -4.860
  477    HD1  TYR  64           HD1      TYR  64  -1.967  -5.550  -3.362
  478    HD2  TYR  64           HD2      TYR  64  -2.282  -8.688  -6.222
  479    HE1  TYR  64           HE1      TYR  64  -4.243  -6.028  -2.592
  480    HE2  TYR  64           HE2      TYR  64  -4.563  -9.167  -5.448
  481    HH   TYR  64           HH       TYR  64  -5.773  -8.343  -2.678
  482    H    THR  65           HN       THR  65  -2.765  -6.519  -7.852
  483    HA   THR  65           HA       THR  65  -2.787  -3.592  -7.963
  484    HB   THR  65           HB       THR  65  -4.255  -5.435  -9.724
  485    HG1  THR  65           HG1      THR  65  -1.930  -5.219 -10.089
  486   HG21  THR  65          HG21      THR  65  -4.640  -2.646  -9.228
  487   HG22  THR  65          HG22      THR  65  -5.581  -3.735 -10.248
  488   HG23  THR  65          HG23      THR  65  -4.163  -2.917 -10.904
  489    H    PHE  66           HN       PHE  66  -4.068  -2.760  -6.459
  490    HA   PHE  66           HA       PHE  66  -6.672  -4.063  -6.086
  491    HB2  PHE  66           HB2      PHE  66  -6.819  -3.397  -3.787
  492    HB3  PHE  66           HB1      PHE  66  -5.341  -4.374  -4.031
  493    HD1  PHE  66           HD1      PHE  66  -3.252  -3.544  -3.362
  494    HD2  PHE  66           HD2      PHE  66  -6.574  -0.889  -3.589
  495    HE1  PHE  66           HE1      PHE  66  -1.953  -1.817  -2.181
  496    HE2  PHE  66           HE2      PHE  66  -5.278   0.844  -2.424
  497    HZ   PHE  66           HZ       PHE  66  -2.952   0.398  -1.723
  498    H    ASN  67           HN       ASN  67  -8.377  -2.588  -5.699
  499    HA   ASN  67           HA       ASN  67  -7.722   0.123  -6.638
  500    HB2  ASN  67           HB2      ASN  67 -10.324  -1.390  -7.049
  501    HB3  ASN  67           HB1      ASN  67  -9.917   0.206  -7.696
  502   HD21  ASN  67          HD21      ASN  67 -10.264  -2.895  -8.520
  503   HD22  ASN  67          HD22      ASN  67  -9.157  -2.997  -9.847
  504    H    GLU  68           HN       GLU  68  -8.799   1.823  -5.520
  505    HA   GLU  68           HA       GLU  68  -9.422   1.322  -2.808
  506    HB2  GLU  68           HB2      GLU  68 -10.057   3.672  -4.561
  507    HB3  GLU  68           HB1      GLU  68 -10.287   3.678  -2.827
  508    HG2  GLU  68           HG2      GLU  68  -7.618   3.100  -4.082
  509    HG3  GLU  68           HG1      GLU  68  -8.179   4.767  -3.783
  510    H    LYS  69           HN       LYS  69 -11.201   1.234  -5.714
  511    HA   LYS  69           HA       LYS  69 -13.879   1.386  -4.834
  512    HB2  LYS  69           HB2      LYS  69 -12.735  -0.448  -6.944
  513    HB3  LYS  69           HB1      LYS  69 -14.400   0.162  -6.848
  514    HG2  LYS  69           HG2      LYS  69 -13.559   2.430  -7.196
  515    HG3  LYS  69           HG1      LYS  69 -11.921   1.777  -7.419
  516    HD2  LYS  69           HD2      LYS  69 -14.364   1.268  -9.141
  517    HD3  LYS  69           HD1      LYS  69 -12.946   2.211  -9.577
  518    HE2  LYS  69           HE2      LYS  69 -12.718   0.148 -10.689
  519    HE3  LYS  69           HE1      LYS  69 -11.606   0.077  -9.326
  520    HZ1  LYS  69           HZ1      LYS  69 -14.204  -0.950  -8.667
  521    HZ2  LYS  69           HZ2      LYS  69 -12.679  -1.678  -8.488
  522    HZ3  LYS  69           HZ3      LYS  69 -13.501  -1.786  -9.969
  523    H    SER  70           HN       SER  70 -11.525  -1.180  -5.132
  524    HA   SER  70           HA       SER  70 -13.144  -3.156  -3.841
  525    HB2  SER  70           HB2      SER  70 -11.372  -3.725  -5.532
  526    HB3  SER  70           HB1      SER  70 -10.158  -3.217  -4.323
  527    HG   SER  70           HG       SER  70 -10.420  -5.407  -4.115
  528    H    THR  71           HN       THR  71 -13.681  -2.291  -1.958
  529    HA   THR  71           HA       THR  71 -12.719  -0.582  -0.277
  530    HB   THR  71           HB       THR  71 -13.627  -1.830   1.587
  531    HG1  THR  71           HG1      THR  71 -13.169  -3.945  -0.091
  532   HG21  THR  71          HG21      THR  71 -15.657  -1.286   0.904
  533   HG22  THR  71          HG22      THR  71 -15.674  -2.626  -0.242
  534   HG23  THR  71          HG23      THR  71 -15.004  -1.066  -0.720
  535    H    VAL  72           HN       VAL  72 -10.833  -0.109   0.681
  536    HA   VAL  72           HA       VAL  72  -8.613  -1.636   0.708
  537    HB   VAL  72           HB       VAL  72  -8.218  -0.029   2.940
  538   HG11  VAL  72          HG11      VAL  72  -6.538  -0.081   1.356
  539   HG12  VAL  72          HG12      VAL  72  -7.252   1.490   0.987
  540   HG13  VAL  72          HG13      VAL  72  -7.646   0.087  -0.006
  541   HG21  VAL  72          HG21      VAL  72 -10.559   0.939   2.180
  542   HG22  VAL  72          HG22      VAL  72  -9.636   1.662   0.843
  543   HG23  VAL  72          HG23      VAL  72  -9.240   2.058   2.525
  544    H    GLY  73           HN       GLY  73 -11.340  -1.937   2.621
  545    HA2  GLY  73           HA2      GLY  73 -10.288  -3.271   4.904
  546    HA3  GLY  73           HA1      GLY  73 -11.919  -3.342   4.271
  547    H    ASN  74           HN       ASN  74 -12.116  -4.593   2.165
  548    HA   ASN  74           HA       ASN  74 -11.406  -7.268   2.746
  549    HB2  ASN  74           HB2      ASN  74 -13.428  -6.652   1.455
  550    HB3  ASN  74           HB1      ASN  74 -12.393  -6.109   0.121
  551   HD21  ASN  74          HD21      ASN  74 -12.279  -7.514  -1.459
  552   HD22  ASN  74          HD22      ASN  74 -12.314  -9.247  -1.300
  553    H    ILE  75           HN       ILE  75  -9.815  -4.767   1.030
  554    HA   ILE  75           HA       ILE  75  -8.089  -6.515  -0.481
  555    HB   ILE  75           HB       ILE  75  -8.058  -3.612   0.100
  556   HG12  ILE  75          HG12      ILE  75  -9.780  -4.448  -1.434
  557   HG13  ILE  75          HG11      ILE  75  -8.604  -3.462  -2.331
  558   HG21  ILE  75          HG21      ILE  75  -6.176  -4.898  -1.845
  559   HG22  ILE  75          HG22      ILE  75  -5.728  -4.635  -0.161
  560   HG23  ILE  75          HG23      ILE  75  -6.135  -3.262  -1.190
  561   HD11  ILE  75          HD11      ILE  75  -7.571  -6.011  -2.514
  562   HD12  ILE  75          HD12      ILE  75  -8.505  -5.170  -3.748
  563   HD13  ILE  75          HD13      ILE  75  -9.311  -6.264  -2.626
  564    H    SER  76           HN       SER  76  -7.871  -4.764   2.559
  565    HA   SER  76           HA       SER  76  -5.136  -5.592   2.963
  566    HB2  SER  76           HB2      SER  76  -5.816  -3.558   4.007
  567    HB3  SER  76           HB1      SER  76  -7.150  -4.360   4.842
  568    HG   SER  76           HG       SER  76  -5.596  -5.516   6.049
  569    H    ASN  77           HN       ASN  77  -8.205  -6.957   3.353
  570    HA   ASN  77           HA       ASN  77  -7.519  -9.048   5.196
  571    HB2  ASN  77           HB2      ASN  77  -9.574  -8.909   2.967
  572    HB3  ASN  77           HB1      ASN  77  -9.411 -10.273   4.075
  573   HD21  ASN  77          HD21      ASN  77  -8.643  -7.805   5.974
  574   HD22  ASN  77          HD22      ASN  77 -10.205  -7.359   6.578
  575    H    ASP  78           HN       ASP  78  -6.997  -8.273   1.862
  576    HA   ASP  78           HA       ASP  78  -5.864 -10.871   1.217
  577    HB2  ASP  78           HB2      ASP  78  -6.328  -8.372  -0.400
  578    HB3  ASP  78           HB1      ASP  78  -5.343  -9.718  -1.018
  579    H    ILE  79           HN       ILE  79  -4.698  -7.653   2.051
  580    HA   ILE  79           HA       ILE  79  -2.160  -7.935   0.918
  581    HB   ILE  79           HB       ILE  79  -2.719  -6.341   3.453
  582   HG12  ILE  79          HG12      ILE  79  -4.311  -5.820   1.581
  583   HG13  ILE  79          HG11      ILE  79  -3.266  -4.456   2.049
  584   HG21  ILE  79          HG21      ILE  79  -0.835  -5.003   2.757
  585   HG22  ILE  79          HG22      ILE  79  -0.711  -5.881   1.235
  586   HG23  ILE  79          HG23      ILE  79  -0.332  -6.694   2.751
  587   HD11  ILE  79          HD11      ILE  79  -3.574  -4.708  -0.388
  588   HD12  ILE  79          HD12      ILE  79  -2.764  -6.276  -0.297
  589   HD13  ILE  79          HD13      ILE  79  -1.888  -4.804   0.120
  590    H    ASN  80           HN       ASN  80  -3.455  -9.205   3.870
  591    HA   ASN  80           HA       ASN  80  -1.029  -9.834   5.156
  592    HB2  ASN  80           HB2      ASN  80  -3.799 -10.998   5.394
  593    HB3  ASN  80           HB1      ASN  80  -2.455 -11.484   6.405
  594   HD21  ASN  80          HD21      ASN  80  -2.452 -10.553   8.307
  595   HD22  ASN  80          HD22      ASN  80  -3.034  -8.956   8.666
  596    H    LYS  81           HN       LYS  81  -3.059 -11.628   2.844
  597    HA   LYS  81           HA       LYS  81  -1.356 -13.907   2.999
  598    HB2  LYS  81           HB2      LYS  81  -2.557 -14.626   0.862
  599    HB3  LYS  81           HB1      LYS  81  -3.475 -14.543   2.352
  600    HG2  LYS  81           HG2      LYS  81  -3.485 -12.132   0.650
  601    HG3  LYS  81           HG1      LYS  81  -4.360 -13.559   0.053
  602    HD2  LYS  81           HD2      LYS  81  -4.725 -12.221   2.737
  603    HD3  LYS  81           HD1      LYS  81  -5.818 -12.091   1.358
  604    HE2  LYS  81           HE2      LYS  81  -5.165 -14.608   2.893
  605    HE3  LYS  81           HE1      LYS  81  -6.675 -13.697   2.968
  606    HZ1  LYS  81           HZ1      LYS  81  -6.518 -14.154   0.352
  607    HZ2  LYS  81           HZ2      LYS  81  -7.296 -15.209   1.433
  608    HZ3  LYS  81           HZ3      LYS  81  -5.708 -15.532   0.925
  609    H    LEU  82           HN       LEU  82  -1.822 -11.361   0.521
  610    HA   LEU  82           HA       LEU  82   0.038 -12.149  -1.314
  611    HB2  LEU  82           HB2      LEU  82  -0.941  -9.499  -0.415
  612    HB3  LEU  82           HB1      LEU  82   0.353  -9.606  -1.625
  613    HG   LEU  82           HG       LEU  82  -1.909  -9.391  -2.576
  614   HD11  LEU  82          HD11      LEU  82  -1.278 -12.002  -3.604
  615   HD12  LEU  82          HD12      LEU  82   0.165 -11.010  -3.391
  616   HD13  LEU  82          HD13      LEU  82  -1.165 -10.428  -4.392
  617   HD21  LEU  82          HD21      LEU  82  -2.398 -12.184  -1.642
  618   HD22  LEU  82          HD22      LEU  82  -3.486 -11.169  -2.590
  619   HD23  LEU  82          HD23      LEU  82  -3.124 -10.751  -0.913
  620    H    ASN  83           HN       ASN  83   0.623 -10.736   1.814
  621    HA   ASN  83           HA       ASN  83   2.547 -10.130   2.945
  622    HB2  ASN  83           HB2      ASN  83   2.406 -12.613   3.035
  623    HB3  ASN  83           HB1      ASN  83   3.443 -12.699   1.608
  624   HD21  ASN  83          HD21      ASN  83   4.418 -10.133   3.526
  625   HD22  ASN  83          HD22      ASN  83   5.687 -10.934   4.400
  626    H    ILE  84           HN       ILE  84   2.707  -8.373   1.088
  627    HA   ILE  84           HA       ILE  84   4.963  -8.840  -0.646
  628    HB   ILE  84           HB       ILE  84   3.264  -6.374  -0.420
  629   HG12  ILE  84          HG12      ILE  84   3.064  -8.711  -2.341
  630   HG13  ILE  84          HG11      ILE  84   1.928  -8.358  -1.016
  631   HG21  ILE  84          HG21      ILE  84   5.269  -5.785  -1.512
  632   HG22  ILE  84          HG22      ILE  84   4.093  -6.057  -2.799
  633   HG23  ILE  84          HG23      ILE  84   5.298  -7.290  -2.431
  634   HD11  ILE  84          HD11      ILE  84   1.002  -6.575  -2.126
  635   HD12  ILE  84          HD12      ILE  84   1.367  -7.671  -3.459
  636   HD13  ILE  84          HD13      ILE  84   2.433  -6.306  -3.121
  637    H    LYS  85           HN       LYS  85   6.829  -8.805   0.495
  638    HA   LYS  85           HA       LYS  85   7.523  -6.265   1.773
  639    HB2  LYS  85           HB2      LYS  85   6.628  -8.018   3.400
  640    HB3  LYS  85           HB1      LYS  85   8.060  -8.956   3.021
  641    HG2  LYS  85           HG2      LYS  85   8.137  -6.181   4.170
  642    HG3  LYS  85           HG1      LYS  85   8.161  -7.656   5.136
  643    HD2  LYS  85           HD2      LYS  85  10.230  -8.344   4.054
  644    HD3  LYS  85           HD1      LYS  85  10.184  -6.911   3.023
  645    HE2  LYS  85           HE2      LYS  85  10.358  -5.488   5.015
  646    HE3  LYS  85           HE1      LYS  85  10.406  -6.924   6.039
  647    HZ1  LYS  85           HZ1      LYS  85  12.473  -5.770   4.340
  648    HZ2  LYS  85           HZ2      LYS  85  12.411  -7.472   4.401
  649    HZ3  LYS  85           HZ3      LYS  85  12.613  -6.575   5.831
  650    H    GLY  86           HN       GLY  86   8.930  -5.761   0.173
  651    HA2  GLY  86           HA2      GLY  86  10.949  -5.634  -0.890
  652    HA3  GLY  86           HA1      GLY  86  11.550  -6.880   0.224
  653    HA   PRO  87           HA       PRO  87  12.768  -5.881  -1.776
  654    HB2  PRO  87           HB2      PRO  87  13.989  -5.885  -4.136
  655    HB3  PRO  87           HB1      PRO  87  14.253  -7.177  -2.964
  656    HG2  PRO  87           HG2      PRO  87  12.631  -7.164  -5.453
  657    HG3  PRO  87           HG1      PRO  87  13.590  -8.477  -4.745
  658    HD2  PRO  87           HD2      PRO  87  10.784  -8.112  -4.483
  659    HD3  PRO  87           HD1      PRO  87  11.813  -9.251  -3.558
  660    H    TYR  88           HN       TYR  88  13.347  -3.886  -3.217
  661    HA   TYR  88           HA       TYR  88  12.260  -1.787  -3.481
  662    HB2  TYR  88           HB2      TYR  88  12.335  -3.193  -6.163
  663    HB3  TYR  88           HB1      TYR  88  12.140  -1.424  -5.939
  664    HD1  TYR  88           HD1      TYR  88  14.466  -4.057  -4.597
  665    HD2  TYR  88           HD2      TYR  88  14.026  -0.263  -6.455
  666    HE1  TYR  88           HE1      TYR  88  16.912  -3.783  -4.601
  667    HE2  TYR  88           HE2      TYR  88  16.465   0.023  -6.475
  668    HH   TYR  88           HH       TYR  88  18.424  -0.768  -5.630
  669    H    ILE  89           HN       ILE  89  10.229  -1.614  -2.515
  670    HA   ILE  89           HA       ILE  89   7.973  -2.401  -4.235
  671    HB   ILE  89           HB       ILE  89   7.998  -1.917  -1.248
  672   HG12  ILE  89          HG12      ILE  89   7.587  -4.436  -2.904
  673   HG13  ILE  89          HG11      ILE  89   9.081  -4.077  -1.996
  674   HG21  ILE  89          HG21      ILE  89   5.895  -1.345  -2.653
  675   HG22  ILE  89          HG22      ILE  89   5.730  -2.329  -1.198
  676   HG23  ILE  89          HG23      ILE  89   5.723  -3.095  -2.786
  677   HD11  ILE  89          HD11      ILE  89   6.370  -4.267  -0.697
  678   HD12  ILE  89          HD12      ILE  89   7.960  -4.308   0.066
  679   HD13  ILE  89          HD13      ILE  89   7.423  -5.662  -0.930
  680    H    GLU  90           HN       GLU  90   6.630  -0.978  -5.002
  681    HA   GLU  90           HA       GLU  90   6.622   1.754  -3.902
  682    HB2  GLU  90           HB2      GLU  90   6.273   1.023  -6.823
  683    HB3  GLU  90           HB1      GLU  90   6.169   2.652  -6.135
  684    HG2  GLU  90           HG2      GLU  90   8.637   0.923  -6.120
  685    HG3  GLU  90           HG1      GLU  90   8.304   2.208  -7.280
  686    H    ILE  91           HN       ILE  91   4.809   1.395  -2.649
  687    HA   ILE  91           HA       ILE  91   2.380   0.380  -3.926
  688    HB   ILE  91           HB       ILE  91   2.608   1.196  -1.034
  689   HG12  ILE  91          HG12      ILE  91   3.359  -1.482  -2.203
  690   HG13  ILE  91          HG11      ILE  91   4.477  -0.333  -1.477
  691   HG21  ILE  91          HG21      ILE  91   1.159  -1.210  -1.479
  692   HG22  ILE  91          HG22      ILE  91   0.586  -0.003  -2.625
  693   HG23  ILE  91          HG23      ILE  91   0.557   0.335  -0.887
  694   HD11  ILE  91          HD11      ILE  91   3.384  -2.402  -0.160
  695   HD12  ILE  91          HD12      ILE  91   2.199  -1.144   0.201
  696   HD13  ILE  91          HD13      ILE  91   3.897  -0.907   0.623
  697    H    LYS  92           HN       LYS  92   1.334   1.937  -5.034
  698    HA   LYS  92           HA       LYS  92   0.492   4.399  -3.815
  699    HB2  LYS  92           HB2      LYS  92   1.612   5.655  -5.853
  700    HB3  LYS  92           HB1      LYS  92   2.515   5.354  -4.363
  701    HG2  LYS  92           HG2      LYS  92   3.837   4.894  -6.356
  702    HG3  LYS  92           HG1      LYS  92   3.614   3.453  -5.370
  703    HD2  LYS  92           HD2      LYS  92   3.408   2.834  -7.661
  704    HD3  LYS  92           HD1      LYS  92   1.808   2.748  -6.920
  705    HE2  LYS  92           HE2      LYS  92   1.624   3.764  -9.111
  706    HE3  LYS  92           HE1      LYS  92   1.288   4.952  -7.852
  707    HZ1  LYS  92           HZ1      LYS  92   2.892   5.505  -9.834
  708    HZ2  LYS  92           HZ2      LYS  92   4.047   4.773  -8.820
  709    HZ3  LYS  92           HZ3      LYS  92   3.167   6.123  -8.274
  710    H    GLN  93           HN       GLN  93  -0.642   5.819  -5.528
  711    HA   GLN  93           HA       GLN  93  -2.301   4.007  -7.047
  712    HB2  GLN  93           HB2      GLN  93  -3.740   5.906  -7.542
  713    HB3  GLN  93           HB1      GLN  93  -3.590   5.508  -5.828
  714    HG2  GLN  93           HG2      GLN  93  -3.537   7.834  -5.956
  715    HG3  GLN  93           HG1      GLN  93  -1.886   7.319  -5.664
  716   HE21  GLN  93          HE21      GLN  93  -0.479   8.505  -6.724
  717   HE22  GLN  93          HE22      GLN  93  -0.683   9.167  -8.305
  718    H    ILE  94           HN       ILE  94  -2.971   4.387  -9.159
  719    HA   ILE  94           HA       ILE  94  -0.921   5.613 -10.875
  720    HB   ILE  94           HB       ILE  94  -1.232   3.584 -12.303
  721   HG12  ILE  94          HG12      ILE  94  -2.632   2.708  -9.781
  722   HG13  ILE  94          HG11      ILE  94  -3.271   2.755 -11.423
  723   HG21  ILE  94          HG21      ILE  94  -0.039   2.192 -10.211
  724   HG22  ILE  94          HG22      ILE  94   0.303   3.893  -9.888
  725   HG23  ILE  94          HG23      ILE  94   0.773   3.177 -11.430
  726   HD11  ILE  94          HD11      ILE  94  -1.081   1.076 -11.560
  727   HD12  ILE  94          HD12      ILE  94  -2.786   0.619 -11.564
  728   HD13  ILE  94          HD13      ILE  94  -1.890   0.677 -10.045
  Start of MODEL    7
    1    H    ASP   1           HT1      ASP   1  16.254  10.458 -10.037
    2    HA   ASP   1           HA       ASP   1  14.940   8.505  -9.824
    3    HB2  ASP   1           HB2      ASP   1  16.755   6.803  -9.999
    4    HB3  ASP   1           HB1      ASP   1  17.062   8.243 -10.959
    5    H    ASN   2           HN       ASN   2  14.761   6.351  -8.738
    6    HA   ASN   2           HA       ASN   2  15.226   6.546  -5.835
    7    HB2  ASN   2           HB2      ASN   2  12.700   5.534  -7.169
    8    HB3  ASN   2           HB1      ASN   2  13.052   5.396  -5.453
    9   HD21  ASN   2          HD21      ASN   2  12.120   6.861  -4.245
   10   HD22  ASN   2          HD22      ASN   2  11.679   8.460  -4.728
   11    H    GLN   3           HN       GLN   3  16.993   5.330  -7.430
   12    HA   GLN   3           HA       GLN   3  16.535   2.659  -8.100
   13    HB2  GLN   3           HB2      GLN   3  19.132   4.001  -7.320
   14    HB3  GLN   3           HB1      GLN   3  19.003   2.439  -8.116
   15    HG2  GLN   3           HG2      GLN   3  18.021   5.040  -9.275
   16    HG3  GLN   3           HG1      GLN   3  19.575   4.298  -9.641
   17   HE21  GLN   3          HE21      GLN   3  17.607   1.751  -9.241
   18   HE22  GLN   3          HE22      GLN   3  17.050   1.531 -10.860
   19    H    LYS   4           HN       LYS   4  18.191   3.963  -5.217
   20    HA   LYS   4           HA       LYS   4  17.883   1.354  -3.928
   21    HB2  LYS   4           HB2      LYS   4  19.406   3.828  -3.094
   22    HB3  LYS   4           HB1      LYS   4  19.220   2.420  -2.063
   23    HG2  LYS   4           HG2      LYS   4  21.368   2.343  -3.113
   24    HG3  LYS   4           HG1      LYS   4  20.366   1.054  -3.775
   25    HD2  LYS   4           HD2      LYS   4  19.936   2.413  -5.764
   26    HD3  LYS   4           HD1      LYS   4  20.923   3.714  -5.091
   27    HE2  LYS   4           HE2      LYS   4  22.872   2.214  -5.085
   28    HE3  LYS   4           HE1      LYS   4  21.879   0.932  -5.781
   29    HZ1  LYS   4           HZ1      LYS   4  22.240   3.558  -7.117
   30    HZ2  LYS   4           HZ2      LYS   4  21.663   2.101  -7.786
   31    HZ3  LYS   4           HZ3      LYS   4  23.303   2.250  -7.369
   32    H    ALA   5           HN       ALA   5  16.494   4.451  -4.057
   33    HA   ALA   5           HA       ALA   5  14.785   5.477  -3.004
   34    HB1  ALA   5           HB1      ALA   5  13.795   3.202  -3.735
   35    HB2  ALA   5           HB2      ALA   5  12.889   4.207  -2.605
   36    HB3  ALA   5           HB3      ALA   5  13.814   2.828  -2.011
   37    H    LEU   6           HN       LEU   6  16.281   6.423  -1.480
   38    HA   LEU   6           HA       LEU   6  16.473   5.238   1.159
   39    HB2  LEU   6           HB2      LEU   6  17.399   7.921   0.122
   40    HB3  LEU   6           HB1      LEU   6  17.668   7.345   1.752
   41    HG   LEU   6           HG       LEU   6  19.011   5.455   0.801
   42   HD11  LEU   6          HD11      LEU   6  19.086   7.009  -1.761
   43   HD12  LEU   6          HD12      LEU   6  17.951   5.683  -1.513
   44   HD13  LEU   6          HD13      LEU   6  19.686   5.384  -1.431
   45   HD21  LEU   6          HD21      LEU   6  20.541   7.627  -0.258
   46   HD22  LEU   6          HD22      LEU   6  20.755   6.734   1.247
   47   HD23  LEU   6          HD23      LEU   6  19.691   8.140   1.200
   48    H    GLU   7           HN       GLU   7  13.981   6.446  -0.296
   49    HA   GLU   7           HA       GLU   7  13.067   8.364   1.698
   50    HB2  GLU   7           HB2      GLU   7  12.710   8.766  -0.717
   51    HB3  GLU   7           HB1      GLU   7  11.753   7.298  -0.813
   52    HG2  GLU   7           HG2      GLU   7  10.113   8.302   0.729
   53    HG3  GLU   7           HG1      GLU   7  11.062   9.791   0.729
   54    H    GLU   8           HN       GLU   8  13.070   5.051   1.303
   55    HA   GLU   8           HA       GLU   8  10.497   4.250   1.644
   56    HB2  GLU   8           HB2      GLU   8  11.368   2.095   2.474
   57    HB3  GLU   8           HB1      GLU   8  12.191   2.677   1.040
   58    HG2  GLU   8           HG2      GLU   8  13.953   1.918   2.256
   59    HG3  GLU   8           HG1      GLU   8  13.917   3.597   2.783
   60    H    GLN   9           HN       GLN   9  12.715   5.024   4.301
   61    HA   GLN   9           HA       GLN   9  10.585   4.481   6.215
   62    HB2  GLN   9           HB2      GLN   9  12.235   4.777   7.933
   63    HB3  GLN   9           HB1      GLN   9  12.951   3.788   6.671
   64    HG2  GLN   9           HG2      GLN   9  13.441   6.731   7.104
   65    HG3  GLN   9           HG1      GLN   9  14.538   5.421   7.527
   66   HE21  GLN   9          HE21      GLN   9  13.781   7.689   5.253
   67   HE22  GLN   9          HE22      GLN   9  14.633   7.028   3.897
   68    H    MET  10           HN       MET  10  11.009   6.944   4.220
   69    HA   MET  10           HA       MET  10  10.756   9.018   6.296
   70    HB2  MET  10           HB2      MET  10  12.574   9.279   4.635
   71    HB3  MET  10           HB1      MET  10  11.372   9.343   3.352
   72    HG2  MET  10           HG2      MET  10  12.157  11.562   3.949
   73    HG3  MET  10           HG1      MET  10  10.439  11.372   4.300
   74    HE1  MET  10           HE1      MET  10  13.398  10.133   7.198
   75    HE2  MET  10           HE2      MET  10  14.002  11.774   6.962
   76    HE3  MET  10           HE3      MET  10  13.826  10.693   5.580
   77    H    ASN  11           HN       ASN  11   9.581   8.954   2.957
   78    HA   ASN  11           HA       ASN  11   6.906   9.700   3.952
   79    HB2  ASN  11           HB2      ASN  11   8.152   9.998   1.219
   80    HB3  ASN  11           HB1      ASN  11   6.427  10.199   1.526
   81   HD21  ASN  11          HD21      ASN  11   5.877  12.252   1.671
   82   HD22  ASN  11          HD22      ASN  11   6.846  13.533   2.311
   83    H    SER  12           HN       SER  12   8.604   7.790   1.628
   84    HA   SER  12           HA       SER  12   6.922   6.577   0.162
   85    HB2  SER  12           HB2      SER  12   9.287   5.985   0.245
   86    HB3  SER  12           HB1      SER  12   9.033   5.100   1.764
   87    HG   SER  12           HG       SER  12   7.576   4.418  -0.575
   88    H    ILE  13           HN       ILE  13   7.676   4.876   3.163
   89    HA   ILE  13           HA       ILE  13   5.239   3.339   2.938
   90    HB   ILE  13           HB       ILE  13   7.551   3.168   4.871
   91   HG12  ILE  13          HG12      ILE  13   6.955   1.696   2.305
   92   HG13  ILE  13          HG11      ILE  13   8.189   2.955   2.557
   93   HG21  ILE  13          HG21      ILE  13   6.178   0.683   4.354
   94   HG22  ILE  13          HG22      ILE  13   5.053   1.882   4.994
   95   HG23  ILE  13          HG23      ILE  13   6.510   1.467   5.898
   96   HD11  ILE  13          HD11      ILE  13   8.450   0.742   4.424
   97   HD12  ILE  13          HD12      ILE  13   9.646   1.458   3.343
   98   HD13  ILE  13          HD13      ILE  13   8.544   0.218   2.744
   99    H    ASN  14           HN       ASN  14   6.119   6.170   4.402
  100    HA   ASN  14           HA       ASN  14   4.275   5.837   6.669
  101    HB2  ASN  14           HB2      ASN  14   6.162   8.094   5.993
  102    HB3  ASN  14           HB1      ASN  14   4.988   8.165   7.300
  103   HD21  ASN  14          HD21      ASN  14   5.829   5.031   7.181
  104   HD22  ASN  14          HD22      ASN  14   7.144   5.025   8.303
  105    H    SER  15           HN       SER  15   4.760   8.360   4.163
  106    HA   SER  15           HA       SER  15   2.210   9.483   4.514
  107    HB2  SER  15           HB2      SER  15   2.603  10.691   2.434
  108    HB3  SER  15           HB1      SER  15   4.029  10.740   3.474
  109    HG   SER  15           HG       SER  15   4.675   8.784   2.154
  110    H    VAL  16           HN       VAL  16   3.199   6.620   2.945
  111    HA   VAL  16           HA       VAL  16   1.310   6.417   0.899
  112    HB   VAL  16           HB       VAL  16   3.174   4.799   1.158
  113   HG11  VAL  16          HG11      VAL  16   3.501   4.091   3.252
  114   HG12  VAL  16          HG12      VAL  16   2.360   2.830   2.790
  115   HG13  VAL  16          HG13      VAL  16   1.798   4.240   3.687
  116   HG21  VAL  16          HG21      VAL  16   2.049   2.976   0.264
  117   HG22  VAL  16          HG22      VAL  16   0.948   4.315  -0.060
  118   HG23  VAL  16          HG23      VAL  16   0.628   3.218   1.287
  119    H    ASN  17           HN       ASN  17   1.138   5.967   4.298
  120    HA   ASN  17           HA       ASN  17  -1.421   4.695   4.377
  121    HB2  ASN  17           HB2      ASN  17   0.048   6.246   6.531
  122    HB3  ASN  17           HB1      ASN  17  -1.377   5.249   6.792
  123   HD21  ASN  17          HD21      ASN  17  -0.912   3.382   7.670
  124   HD22  ASN  17          HD22      ASN  17   0.521   2.456   7.408
  125    H    ASP  18           HN       ASP  18  -0.214   7.971   4.534
  126    HA   ASP  18           HA       ASP  18  -2.591   9.230   5.325
  127    HB2  ASP  18           HB2      ASP  18  -0.183  10.166   3.770
  128    HB3  ASP  18           HB1      ASP  18  -1.480  11.244   4.220
  129    H    LYS  19           HN       LYS  19  -1.829   7.756   2.340
  130    HA   LYS  19           HA       LYS  19  -3.530   9.459   0.705
  131    HB2  LYS  19           HB2      LYS  19  -2.241   6.861   0.017
  132    HB3  LYS  19           HB1      LYS  19  -2.763   8.151  -1.082
  133    HG2  LYS  19           HG2      LYS  19  -1.138   9.651  -0.239
  134    HG3  LYS  19           HG1      LYS  19  -0.682   8.509   1.044
  135    HD2  LYS  19           HD2      LYS  19  -0.129   6.927  -0.789
  136    HD3  LYS  19           HD1      LYS  19  -0.243   8.304  -1.894
  137    HE2  LYS  19           HE2      LYS  19   1.291   9.532  -0.379
  138    HE3  LYS  19           HE1      LYS  19   1.550   8.026   0.515
  139    HZ1  LYS  19           HZ1      LYS  19   2.057   8.144  -2.410
  140    HZ2  LYS  19           HZ2      LYS  19   2.684   7.062  -1.261
  141    HZ3  LYS  19           HZ3      LYS  19   3.238   8.669  -1.306
  142    H    LEU  20           HN       LEU  20  -3.416   6.520   2.348
  143    HA   LEU  20           HA       LEU  20  -5.722   5.361   1.080
  144    HB2  LEU  20           HB2      LEU  20  -3.906   4.401   3.285
  145    HB3  LEU  20           HB1      LEU  20  -5.040   3.399   2.381
  146    HG   LEU  20           HG       LEU  20  -2.604   4.780   1.241
  147   HD11  LEU  20          HD11      LEU  20  -1.619   3.047   2.286
  148   HD12  LEU  20          HD12      LEU  20  -2.135   2.206   0.823
  149   HD13  LEU  20          HD13      LEU  20  -3.089   2.070   2.300
  150   HD21  LEU  20          HD21      LEU  20  -3.977   4.680  -0.589
  151   HD22  LEU  20          HD22      LEU  20  -4.862   3.278   0.011
  152   HD23  LEU  20          HD23      LEU  20  -3.245   3.078  -0.665
  153    H    ASN  21           HN       ASN  21  -4.600   6.490   4.179
  154    HA   ASN  21           HA       ASN  21  -7.007   5.994   5.621
  155    HB2  ASN  21           HB2      ASN  21  -4.469   7.503   6.172
  156    HB3  ASN  21           HB1      ASN  21  -5.829   7.621   7.286
  157   HD21  ASN  21          HD21      ASN  21  -3.003   6.151   6.855
  158   HD22  ASN  21          HD22      ASN  21  -3.302   4.635   7.663
  159    H    LYS  22           HN       LYS  22  -8.702   7.044   4.479
  160    HA   LYS  22           HA       LYS  22  -8.326   9.962   4.241
  161    HB2  LYS  22           HB2      LYS  22  -9.748   8.075   2.375
  162    HB3  LYS  22           HB1      LYS  22  -9.793   9.839   2.228
  163    HG2  LYS  22           HG2      LYS  22  -7.358   9.880   1.992
  164    HG3  LYS  22           HG1      LYS  22  -7.312   8.124   2.142
  165    HD2  LYS  22           HD2      LYS  22  -7.151   8.829  -0.188
  166    HD3  LYS  22           HD1      LYS  22  -8.618   7.904   0.103
  167    HE2  LYS  22           HE2      LYS  22  -9.085   9.824  -1.313
  168    HE3  LYS  22           HE1      LYS  22  -9.899   9.995   0.242
  169    HZ1  LYS  22           HZ1      LYS  22  -7.333  11.171   0.391
  170    HZ2  LYS  22           HZ2      LYS  22  -8.856  11.909   0.566
  171    HZ3  LYS  22           HZ3      LYS  22  -8.146  11.779  -0.974
  172    H    GLY  23           HN       GLY  23 -10.877   7.542   4.868
  173    HA2  GLY  23           HA2      GLY  23 -12.230   9.119   6.678
  174    HA3  GLY  23           HA1      GLY  23 -12.900   9.472   5.078
  175    H    LYS  24           HN       LYS  24 -14.118   7.905   4.007
  176    HA   LYS  24           HA       LYS  24 -15.790   6.270   5.494
  177    HB2  LYS  24           HB2      LYS  24 -15.975   6.958   3.014
  178    HB3  LYS  24           HB1      LYS  24 -14.943   5.551   2.656
  179    HG2  LYS  24           HG2      LYS  24 -17.138   4.830   2.303
  180    HG3  LYS  24           HG1      LYS  24 -16.712   4.185   3.897
  181    HD2  LYS  24           HD2      LYS  24 -17.939   5.932   4.994
  182    HD3  LYS  24           HD1      LYS  24 -18.210   6.771   3.464
  183    HE2  LYS  24           HE2      LYS  24 -19.528   4.848   2.677
  184    HE3  LYS  24           HE1      LYS  24 -19.307   4.068   4.242
  185    HZ1  LYS  24           HZ1      LYS  24 -21.362   5.705   3.562
  186    HZ2  LYS  24           HZ2      LYS  24 -20.346   6.745   4.441
  187    HZ3  LYS  24           HZ3      LYS  24 -20.908   5.305   5.152
  188    H    GLY  25           HN       GLY  25 -12.977   5.351   3.583
  189    HA2  GLY  25           HA2      GLY  25 -12.397   3.224   5.470
  190    HA3  GLY  25           HA1      GLY  25 -12.498   2.809   3.778
  191    H    LYS  26           HN       LYS  26 -10.257   2.486   5.379
  192    HA   LYS  26           HA       LYS  26  -8.336   4.267   4.103
  193    HB2  LYS  26           HB2      LYS  26  -7.392   4.396   6.513
  194    HB3  LYS  26           HB1      LYS  26  -8.727   5.452   6.031
  195    HG2  LYS  26           HG2      LYS  26 -10.228   3.592   6.838
  196    HG3  LYS  26           HG1      LYS  26  -8.795   2.932   7.637
  197    HD2  LYS  26           HD2      LYS  26 -10.086   4.330   9.185
  198    HD3  LYS  26           HD1      LYS  26  -8.505   5.048   8.856
  199    HE2  LYS  26           HE2      LYS  26  -9.445   6.641   7.363
  200    HE3  LYS  26           HE1      LYS  26 -11.007   5.824   7.370
  201    HZ1  LYS  26           HZ1      LYS  26 -11.516   6.634   9.450
  202    HZ2  LYS  26           HZ2      LYS  26 -10.625   7.938   8.819
  203    HZ3  LYS  26           HZ3      LYS  26  -9.890   6.853   9.899
  204    H    LEU  27           HN       LEU  27  -6.090   3.513   4.404
  205    HA   LEU  27           HA       LEU  27  -5.913   0.671   5.085
  206    HB2  LEU  27           HB2      LEU  27  -6.252   0.650   2.789
  207    HB3  LEU  27           HB1      LEU  27  -5.096   1.969   2.512
  208    HG   LEU  27           HG       LEU  27  -3.262   0.485   3.174
  209   HD11  LEU  27          HD11      LEU  27  -3.553  -1.525   4.129
  210   HD12  LEU  27          HD12      LEU  27  -4.737  -2.014   2.917
  211   HD13  LEU  27          HD13      LEU  27  -5.249  -1.081   4.322
  212   HD21  LEU  27          HD21      LEU  27  -3.082  -0.020   1.020
  213   HD22  LEU  27          HD22      LEU  27  -4.785   0.386   0.809
  214   HD23  LEU  27          HD23      LEU  27  -4.313  -1.274   1.169
  215    H    SER  28           HN       SER  28  -3.982  -0.038   5.839
  216    HA   SER  28           HA       SER  28  -1.810   1.898   6.219
  217    HB2  SER  28           HB2      SER  28  -3.291   1.717   8.278
  218    HB3  SER  28           HB1      SER  28  -2.868  -0.000   8.335
  219    HG   SER  28           HG       SER  28  -0.950   0.473   9.090
  220    H    LEU  29           HN       LEU  29   0.216   0.995   5.986
  221    HA   LEU  29           HA       LEU  29   0.374  -1.920   5.950
  222    HB2  LEU  29           HB2      LEU  29   1.956  -0.690   3.817
  223    HB3  LEU  29           HB1      LEU  29   0.952  -2.155   3.805
  224    HG   LEU  29           HG       LEU  29  -1.044  -0.477   3.713
  225   HD11  LEU  29          HD11      LEU  29  -0.667   1.679   3.406
  226   HD12  LEU  29          HD12      LEU  29   0.527   1.373   2.146
  227   HD13  LEU  29          HD13      LEU  29   1.013   1.362   3.841
  228   HD21  LEU  29          HD21      LEU  29  -0.348  -0.192   1.114
  229   HD22  LEU  29          HD22      LEU  29  -0.996  -1.679   1.806
  230   HD23  LEU  29          HD23      LEU  29   0.745  -1.487   1.600
  231    H    SER  30           HN       SER  30   1.868  -2.428   7.337
  232    HA   SER  30           HA       SER  30   4.321  -0.809   7.442
  233    HB2  SER  30           HB2      SER  30   4.448  -1.363   9.870
  234    HB3  SER  30           HB1      SER  30   3.026  -0.400   9.468
  235    HG   SER  30           HG       SER  30   1.748  -2.184   9.662
  236    H    MET  31           HN       MET  31   5.903  -2.349   8.968
  237    HA   MET  31           HA       MET  31   5.767  -5.100   8.034
  238    HB2  MET  31           HB2      MET  31   8.088  -5.031   7.153
  239    HB3  MET  31           HB1      MET  31   6.926  -4.093   6.185
  240    HG2  MET  31           HG2      MET  31   7.728  -2.035   7.278
  241    HG3  MET  31           HG1      MET  31   8.921  -2.987   8.162
  242    HE1  MET  31           HE1      MET  31  10.962  -1.397   7.142
  243    HE2  MET  31           HE2      MET  31   9.600  -0.476   6.500
  244    HE3  MET  31           HE3      MET  31  10.938  -0.924   5.444
  245    H    ASN  32           HN       ASN  32   6.223  -6.333   9.611
  246    HA   ASN  32           HA       ASN  32   7.710  -5.345  11.921
  247    HB2  ASN  32           HB2      ASN  32   5.523  -6.570  12.213
  248    HB3  ASN  32           HB1      ASN  32   6.301  -8.008  11.527
  249   HD21  ASN  32          HD21      ASN  32   5.425  -6.572  14.320
  250   HD22  ASN  32          HD22      ASN  32   6.552  -7.327  15.410
  251    H    GLY  33           HN       GLY  33   9.791  -5.303  11.004
  252    HA2  GLY  33           HA2      GLY  33  11.895  -6.247  10.582
  253    HA3  GLY  33           HA1      GLY  33  11.182  -7.851  10.879
  254    H    ASN  34           HN       ASN  34  10.869  -9.120   9.182
  255    HA   ASN  34           HA       ASN  34  10.918  -7.895   6.504
  256    HB2  ASN  34           HB2      ASN  34  11.638 -10.695   7.382
  257    HB3  ASN  34           HB1      ASN  34  11.504 -10.199   5.697
  258   HD21  ASN  34          HD21      ASN  34  13.606 -10.639   8.183
  259   HD22  ASN  34          HD22      ASN  34  14.904  -9.614   7.636
  260    H    GLN  35           HN       GLN  35   8.706  -8.488   8.567
  261    HA   GLN  35           HA       GLN  35   6.939 -10.191   6.995
  262    HB2  GLN  35           HB2      GLN  35   6.982 -10.305   9.497
  263    HB3  GLN  35           HB1      GLN  35   6.411  -8.640   9.531
  264    HG2  GLN  35           HG2      GLN  35   4.570 -10.109   9.948
  265    HG3  GLN  35           HG1      GLN  35   4.354  -9.346   8.376
  266   HE21  GLN  35          HE21      GLN  35   6.743 -11.726   8.279
  267   HE22  GLN  35          HE22      GLN  35   5.775 -13.015   7.625
  268    H    LEU  36           HN       LEU  36   4.882  -9.405   6.258
  269    HA   LEU  36           HA       LEU  36   4.842  -6.510   5.773
  270    HB2  LEU  36           HB2      LEU  36   5.373  -7.536   3.768
  271    HB3  LEU  36           HB1      LEU  36   4.197  -8.829   3.977
  272    HG   LEU  36           HG       LEU  36   3.667  -7.222   2.137
  273   HD11  LEU  36          HD11      LEU  36   1.904  -8.164   4.166
  274   HD12  LEU  36          HD12      LEU  36   1.570  -7.854   2.461
  275   HD13  LEU  36          HD13      LEU  36   1.361  -6.568   3.650
  276   HD21  LEU  36          HD21      LEU  36   2.616  -5.015   3.024
  277   HD22  LEU  36          HD22      LEU  36   4.363  -5.122   2.804
  278   HD23  LEU  36          HD23      LEU  36   3.664  -5.276   4.417
  279    H    LYS  37           HN       LYS  37   3.186  -5.459   6.498
  280    HA   LYS  37           HA       LYS  37   0.885  -6.992   7.529
  281    HB2  LYS  37           HB2      LYS  37   2.269  -4.605   8.788
  282    HB3  LYS  37           HB1      LYS  37   1.017  -5.622   9.528
  283    HG2  LYS  37           HG2      LYS  37   3.769  -6.579   8.724
  284    HG3  LYS  37           HG1      LYS  37   3.326  -6.052  10.360
  285    HD2  LYS  37           HD2      LYS  37   2.139  -8.376   8.843
  286    HD3  LYS  37           HD1      LYS  37   3.307  -8.489  10.153
  287    HE2  LYS  37           HE2      LYS  37   1.637  -7.406  11.653
  288    HE3  LYS  37           HE1      LYS  37   0.467  -7.483  10.335
  289    HZ1  LYS  37           HZ1      LYS  37   0.747  -9.910  10.309
  290    HZ2  LYS  37           HZ2      LYS  37   0.164  -9.343  11.801
  291    HZ3  LYS  37           HZ3      LYS  37   1.794  -9.797  11.644
  292    H    ALA  38           HN       ALA  38  -0.999  -6.294   6.633
  293    HA   ALA  38           HA       ALA  38  -1.230  -3.401   6.127
  294    HB1  ALA  38           HB1      ALA  38  -1.945  -3.720   4.045
  295    HB2  ALA  38           HB2      ALA  38  -3.064  -4.988   4.544
  296    HB3  ALA  38           HB3      ALA  38  -1.379  -5.382   4.196
  297    H    THR  39           HN       THR  39  -3.168  -2.450   6.557
  298    HA   THR  39           HA       THR  39  -5.296  -3.986   7.795
  299    HB   THR  39           HB       THR  39  -5.313  -2.277   9.715
  300    HG1  THR  39           HG1      THR  39  -2.656  -1.941   8.796
  301   HG21  THR  39          HG21      THR  39  -4.705  -4.123  10.780
  302   HG22  THR  39          HG22      THR  39  -3.053  -3.519  10.645
  303   HG23  THR  39          HG23      THR  39  -3.675  -4.657   9.450
  304    H    SER  40           HN       SER  40  -7.269  -3.052   7.522
  305    HA   SER  40           HA       SER  40  -7.328  -0.323   6.378
  306    HB2  SER  40           HB2      SER  40  -8.328  -1.887   4.819
  307    HB3  SER  40           HB1      SER  40  -9.357  -2.548   6.088
  308    HG   SER  40           HG       SER  40  -9.404   0.131   5.148
  309    H    SER  41           HN       SER  41  -8.158   1.144   7.644
  310    HA   SER  41           HA       SER  41  -9.261   0.199  10.178
  311    HB2  SER  41           HB2      SER  41  -7.421   1.846  10.260
  312    HB3  SER  41           HB1      SER  41  -8.411   2.994   9.363
  313    HG   SER  41           HG       SER  41  -8.440   3.352  11.644
  314    H    ASN  42           HN       ASN  42 -11.116   1.345  11.066
  315    HA   ASN  42           HA       ASN  42 -13.308   2.078  10.996
  316    HB2  ASN  42           HB2      ASN  42 -14.175   3.232   9.255
  317    HB3  ASN  42           HB1      ASN  42 -12.534   3.106   8.532
  318   HD21  ASN  42          HD21      ASN  42 -12.366   2.124   6.639
  319   HD22  ASN  42          HD22      ASN  42 -13.612   1.186   5.857
  320    H    ALA  43           HN       ALA  43 -11.781  -0.484   9.409
  321    HA   ALA  43           HA       ALA  43 -12.191  -2.698   9.357
  322    HB1  ALA  43           HB1      ALA  43 -14.442  -3.379  10.602
  323    HB2  ALA  43           HB2      ALA  43 -14.222  -1.767  11.282
  324    HB3  ALA  43           HB3      ALA  43 -12.951  -2.977  11.454
  325    H    GLY  44           HN       GLY  44 -12.666  -1.897   6.953
  326    HA2  GLY  44           HA2      GLY  44 -13.735  -3.554   5.501
  327    HA3  GLY  44           HA1      GLY  44 -15.249  -3.115   6.337
  328    H    TYR  45           HN       TYR  45 -15.046  -0.253   6.136
  329    HA   TYR  45           HA       TYR  45 -16.195   0.015   3.600
  330    HB2  TYR  45           HB2      TYR  45 -15.205   2.088   5.561
  331    HB3  TYR  45           HB1      TYR  45 -16.026   2.512   4.049
  332    HD1  TYR  45           HD1      TYR  45 -17.069  -0.521   5.801
  333    HD2  TYR  45           HD2      TYR  45 -17.785   3.656   5.411
  334    HE1  TYR  45           HE1      TYR  45 -19.214  -0.785   6.958
  335    HE2  TYR  45           HE2      TYR  45 -19.938   3.397   6.558
  336    HH   TYR  45           HH       TYR  45 -21.616   1.547   6.949
  337    H    GLY  46           HN       GLY  46 -15.599   1.337   1.805
  338    HA2  GLY  46           HA2      GLY  46 -12.717   1.282   1.210
  339    HA3  GLY  46           HA1      GLY  46 -14.015   1.562   0.041
  340    H    ILE  47           HN       ILE  47 -12.227   3.369  -0.331
  341    HA   ILE  47           HA       ILE  47 -11.826   5.583   1.243
  342    HB   ILE  47           HB       ILE  47 -12.607   5.701  -1.655
  343   HG12  ILE  47          HG12      ILE  47 -10.891   4.046  -1.397
  344   HG13  ILE  47          HG11      ILE  47 -10.200   5.505  -2.108
  345   HG21  ILE  47          HG21      ILE  47 -12.115   7.776   0.029
  346   HG22  ILE  47          HG22      ILE  47 -11.836   7.824  -1.713
  347   HG23  ILE  47          HG23      ILE  47 -10.501   7.471  -0.614
  348   HD11  ILE  47          HD11      ILE  47 -10.011   4.766   0.802
  349   HD12  ILE  47          HD12      ILE  47  -9.213   6.120  -0.002
  350   HD13  ILE  47          HD13      ILE  47  -8.756   4.461  -0.400
  351    H    SER  48           HN       SER  48 -14.420   4.911  -0.941
  352    HA   SER  48           HA       SER  48 -16.670   5.496   0.243
  353    HB2  SER  48           HB2      SER  48 -15.856   7.658   1.061
  354    HB3  SER  48           HB1      SER  48 -15.515   8.169  -0.598
  355    HG   SER  48           HG       SER  48 -17.659   8.713   0.642
  356    H    TYR  49           HN       TYR  49 -17.559   7.606  -1.832
  357    HA   TYR  49           HA       TYR  49 -17.925   5.758  -4.024
  358    HB2  TYR  49           HB2      TYR  49 -18.980   7.941  -5.036
  359    HB3  TYR  49           HB1      TYR  49 -19.827   7.013  -3.793
  360    HD1  TYR  49           HD1      TYR  49 -17.064   9.570  -3.614
  361    HD2  TYR  49           HD2      TYR  49 -21.029   8.521  -2.409
  362    HE1  TYR  49           HE1      TYR  49 -17.164  11.558  -2.183
  363    HE2  TYR  49           HE2      TYR  49 -21.118  10.507  -0.988
  364    HH   TYR  49           HH       TYR  49 -18.957  13.049  -1.209
  365    H    GLU  50           HN       GLU  50 -15.633   5.515  -4.421
  366    HA   GLU  50           HA       GLU  50 -14.670   7.580  -6.261
  367    HB2  GLU  50           HB2      GLU  50 -13.165   6.277  -4.021
  368    HB3  GLU  50           HB1      GLU  50 -12.323   6.937  -5.410
  369    HG2  GLU  50           HG2      GLU  50 -14.070   8.433  -3.472
  370    HG3  GLU  50           HG1      GLU  50 -12.312   8.515  -3.640
  371    H    ASP  51           HN       ASP  51 -12.473   6.619  -7.223
  372    HA   ASP  51           HA       ASP  51 -12.502   3.818  -7.665
  373    HB2  ASP  51           HB2      ASP  51 -12.851   3.705  -9.983
  374    HB3  ASP  51           HB1      ASP  51 -14.177   4.641  -9.293
  375    H    LYS  52           HN       LYS  52 -10.538   3.257  -7.325
  376    HA   LYS  52           HA       LYS  52  -8.379   5.028  -8.214
  377    HB2  LYS  52           HB2      LYS  52  -8.313   3.403  -5.720
  378    HB3  LYS  52           HB1      LYS  52  -7.220   4.687  -6.194
  379    HG2  LYS  52           HG2      LYS  52  -9.983   4.865  -5.110
  380    HG3  LYS  52           HG1      LYS  52  -8.513   5.626  -4.510
  381    HD2  LYS  52           HD2      LYS  52  -8.542   6.942  -6.710
  382    HD3  LYS  52           HD1      LYS  52 -10.205   6.310  -6.883
  383    HE2  LYS  52           HE2      LYS  52 -10.172   8.564  -5.903
  384    HE3  LYS  52           HE1      LYS  52 -10.846   7.366  -4.800
  385    HZ1  LYS  52           HZ1      LYS  52  -8.714   7.312  -3.626
  386    HZ2  LYS  52           HZ2      LYS  52  -9.363   8.882  -3.655
  387    HZ3  LYS  52           HZ3      LYS  52  -8.081   8.476  -4.689
  388    H    ASN  53           HN       ASN  53  -6.612   4.047  -9.055
  389    HA   ASN  53           HA       ASN  53  -6.651   1.106  -9.039
  390    HB2  ASN  53           HB2      ASN  53  -5.695   2.955 -11.220
  391    HB3  ASN  53           HB1      ASN  53  -5.288   1.228 -11.162
  392   HD21  ASN  53          HD21      ASN  53  -8.355   1.699  -9.823
  393   HD22  ASN  53          HD22      ASN  53  -9.273   1.296 -11.249
  394    H    TRP  54           HN       TRP  54  -4.961   0.080  -8.251
  395    HA   TRP  54           HA       TRP  54  -2.695   1.749  -7.420
  396    HB2  TRP  54           HB2      TRP  54  -4.611   0.229  -5.874
  397    HB3  TRP  54           HB1      TRP  54  -2.943  -0.310  -5.560
  398    HD1  TRP  54           HD1      TRP  54  -4.916   3.063  -5.564
  399    HE1  TRP  54           HE1      TRP  54  -3.751   4.563  -3.811
  400    HE3  TRP  54           HE3      TRP  54  -1.145  -0.052  -4.292
  401    HZ2  TRP  54           HZ2      TRP  54  -1.447   4.391  -2.141
  402    HZ3  TRP  54           HZ3      TRP  54   0.484   0.668  -2.638
  403    HH2  TRP  54           HH2      TRP  54   0.327   2.835  -1.578
  404    H    GLY  55           HN       GLY  55  -0.752   0.653  -6.779
  405    HA2  GLY  55           HA2      GLY  55  -0.465  -2.100  -7.553
  406    HA3  GLY  55           HA1      GLY  55   0.498  -0.997  -8.533
  407    H    ILE  56           HN       ILE  56   1.561  -2.957  -7.101
  408    HA   ILE  56           HA       ILE  56   3.295  -1.631  -5.083
  409    HB   ILE  56           HB       ILE  56   2.363  -4.535  -5.031
  410   HG12  ILE  56          HG12      ILE  56   1.511  -2.289  -3.180
  411   HG13  ILE  56          HG11      ILE  56   0.519  -2.914  -4.520
  412   HG21  ILE  56          HG21      ILE  56   4.415  -4.496  -3.967
  413   HG22  ILE  56          HG22      ILE  56   3.293  -4.261  -2.628
  414   HG23  ILE  56          HG23      ILE  56   4.158  -2.881  -3.306
  415   HD11  ILE  56          HD11      ILE  56   1.397  -4.387  -2.045
  416   HD12  ILE  56          HD12      ILE  56   0.597  -5.146  -3.423
  417   HD13  ILE  56          HD13      ILE  56  -0.241  -3.900  -2.492
  418    H    PHE  57           HN       PHE  57   5.148  -1.477  -6.166
  419    HA   PHE  57           HA       PHE  57   5.622  -3.410  -8.296
  420    HB2  PHE  57           HB2      PHE  57   6.879  -0.674  -7.940
  421    HB3  PHE  57           HB1      PHE  57   6.978  -1.711  -9.376
  422    HD1  PHE  57           HD1      PHE  57   4.484   0.090  -7.234
  423    HD2  PHE  57           HD2      PHE  57   5.469  -1.406 -11.094
  424    HE1  PHE  57           HE1      PHE  57   2.466   1.100  -8.120
  425    HE2  PHE  57           HE2      PHE  57   3.435  -0.359 -12.000
  426    HZ   PHE  57           HZ       PHE  57   1.939   0.895 -10.497
  427    H    VAL  58           HN       VAL  58   6.776  -5.042  -7.523
  428    HA   VAL  58           HA       VAL  58   9.159  -4.608  -5.923
  429    HB   VAL  58           HB       VAL  58   7.998  -7.138  -7.129
  430   HG11  VAL  58          HG11      VAL  58  10.255  -6.943  -5.147
  431   HG12  VAL  58          HG12      VAL  58  10.495  -7.168  -6.881
  432   HG13  VAL  58          HG13      VAL  58   9.635  -8.391  -5.943
  433   HG21  VAL  58          HG21      VAL  58   6.851  -5.923  -5.166
  434   HG22  VAL  58          HG22      VAL  58   8.228  -6.485  -4.216
  435   HG23  VAL  58          HG23      VAL  58   7.171  -7.651  -5.012
  436    H    ASN  59           HN       ASN  59  10.734  -3.656  -7.023
  437    HA   ASN  59           HA       ASN  59  12.365  -3.239  -8.533
  438    HB2  ASN  59           HB2      ASN  59  11.785  -6.053  -9.487
  439    HB3  ASN  59           HB1      ASN  59  13.144  -5.052 -10.049
  440   HD21  ASN  59          HD21      ASN  59  14.983  -5.413  -9.067
  441   HD22  ASN  59          HD22      ASN  59  15.189  -6.040  -7.467
  442    H    GLY  60           HN       GLY  60   9.914  -2.183  -9.087
  443    HA2  GLY  60           HA2      GLY  60   9.403  -0.776 -10.899
  444    HA3  GLY  60           HA1      GLY  60  10.248  -1.922 -11.955
  445    H    GLU  61           HN       GLU  61   8.789  -4.212 -11.073
  446    HA   GLU  61           HA       GLU  61   6.547  -3.778 -12.844
  447    HB2  GLU  61           HB2      GLU  61   6.341  -6.227 -12.880
  448    HB3  GLU  61           HB1      GLU  61   7.971  -5.688 -13.272
  449    HG2  GLU  61           HG2      GLU  61   8.697  -6.237 -11.005
  450    HG3  GLU  61           HG1      GLU  61   7.056  -6.770 -10.613
  451    H    LYS  62           HN       LYS  62   4.450  -3.894 -12.398
  452    HA   LYS  62           HA       LYS  62   3.596  -3.633  -9.675
  453    HB2  LYS  62           HB2      LYS  62   2.534  -2.376 -11.501
  454    HB3  LYS  62           HB1      LYS  62   2.017  -3.898 -12.258
  455    HG2  LYS  62           HG2      LYS  62   0.569  -4.357 -10.334
  456    HG3  LYS  62           HG1      LYS  62   1.086  -2.822  -9.586
  457    HD2  LYS  62           HD2      LYS  62  -1.071  -2.563 -10.708
  458    HD3  LYS  62           HD1      LYS  62   0.171  -1.594 -11.508
  459    HE2  LYS  62           HE2      LYS  62   0.430  -3.373 -13.200
  460    HE3  LYS  62           HE1      LYS  62  -0.859  -4.285 -12.415
  461    HZ1  LYS  62           HZ1      LYS  62  -1.885  -3.184 -14.177
  462    HZ2  LYS  62           HZ2      LYS  62  -1.052  -1.735 -13.908
  463    HZ3  LYS  62           HZ3      LYS  62  -2.277  -2.218 -12.837
  464    H    VAL  63           HN       VAL  63   3.494  -5.382  -8.393
  465    HA   VAL  63           HA       VAL  63   2.999  -7.984  -9.573
  466    HB   VAL  63           HB       VAL  63   3.693  -8.916  -7.481
  467   HG11  VAL  63          HG11      VAL  63   6.024  -7.944  -7.422
  468   HG12  VAL  63          HG12      VAL  63   5.462  -6.771  -8.613
  469   HG13  VAL  63          HG13      VAL  63   5.450  -8.492  -8.997
  470   HG21  VAL  63          HG21      VAL  63   4.452  -7.567  -5.613
  471   HG22  VAL  63          HG22      VAL  63   2.767  -7.193  -5.974
  472   HG23  VAL  63          HG23      VAL  63   4.044  -6.090  -6.487
  473    H    TYR  64           HN       TYR  64   1.361  -5.717  -7.465
  474    HA   TYR  64           HA       TYR  64  -0.967  -7.495  -7.526
  475    HB2  TYR  64           HB2      TYR  64   0.084  -7.762  -5.302
  476    HB3  TYR  64           HB1      TYR  64  -0.081  -6.007  -5.048
  477    HD1  TYR  64           HD1      TYR  64  -1.767  -5.561  -3.504
  478    HD2  TYR  64           HD2      TYR  64  -2.358  -8.699  -6.312
  479    HE1  TYR  64           HE1      TYR  64  -4.013  -5.931  -2.608
  480    HE2  TYR  64           HE2      TYR  64  -4.612  -9.079  -5.418
  481    HH   TYR  64           HH       TYR  64  -5.657  -8.290  -2.662
  482    H    THR  65           HN       THR  65  -2.815  -6.483  -8.062
  483    HA   THR  65           HA       THR  65  -2.845  -3.554  -8.022
  484    HB   THR  65           HB       THR  65  -4.351  -5.335  -9.816
  485    HG1  THR  65           HG1      THR  65  -2.139  -5.268 -10.354
  486   HG21  THR  65          HG21      THR  65  -4.076  -2.360  -9.996
  487   HG22  THR  65          HG22      THR  65  -5.497  -3.194  -9.367
  488   HG23  THR  65          HG23      THR  65  -5.029  -3.401 -11.054
  489    H    PHE  66           HN       PHE  66  -4.220  -2.671  -6.634
  490    HA   PHE  66           HA       PHE  66  -6.765  -4.054  -6.153
  491    HB2  PHE  66           HB2      PHE  66  -6.774  -3.500  -3.801
  492    HB3  PHE  66           HB1      PHE  66  -5.421  -4.583  -4.213
  493    HD1  PHE  66           HD1      PHE  66  -6.240  -0.994  -3.576
  494    HD2  PHE  66           HD2      PHE  66  -3.292  -4.062  -3.446
  495    HE1  PHE  66           HE1      PHE  66  -4.733   0.513  -2.364
  496    HE2  PHE  66           HE2      PHE  66  -1.775  -2.552  -2.229
  497    HZ   PHE  66           HZ       PHE  66  -2.492  -0.256  -1.686
  498    H    ASN  67           HN       ASN  67  -8.493  -2.690  -5.774
  499    HA   ASN  67           HA       ASN  67  -7.919   0.106  -6.456
  500    HB2  ASN  67           HB2      ASN  67 -10.158   0.146  -7.567
  501    HB3  ASN  67           HB1      ASN  67  -9.009  -0.949  -8.333
  502   HD21  ASN  67          HD21      ASN  67 -12.109  -0.645  -7.606
  503   HD22  ASN  67          HD22      ASN  67 -12.551  -2.298  -7.368
  504    H    GLU  68           HN       GLU  68  -8.657   1.623  -5.111
  505    HA   GLU  68           HA       GLU  68  -9.380   0.921  -2.531
  506    HB2  GLU  68           HB2      GLU  68  -9.884   3.571  -3.858
  507    HB3  GLU  68           HB1      GLU  68  -9.819   3.271  -2.132
  508    HG2  GLU  68           HG2      GLU  68  -7.528   2.914  -4.046
  509    HG3  GLU  68           HG1      GLU  68  -7.783   4.305  -2.973
  510    H    LYS  69           HN       LYS  69 -11.311   1.207  -5.272
  511    HA   LYS  69           HA       LYS  69 -13.902   1.696  -4.239
  512    HB2  LYS  69           HB2      LYS  69 -13.066  -0.219  -6.423
  513    HB3  LYS  69           HB1      LYS  69 -14.652   0.575  -6.245
  514    HG2  LYS  69           HG2      LYS  69 -13.631   2.748  -6.605
  515    HG3  LYS  69           HG1      LYS  69 -12.049   1.956  -6.857
  516    HD2  LYS  69           HD2      LYS  69 -13.121   2.425  -9.010
  517    HD3  LYS  69           HD1      LYS  69 -12.992   0.685  -8.744
  518    HE2  LYS  69           HE2      LYS  69 -15.349   0.683  -7.957
  519    HE3  LYS  69           HE1      LYS  69 -15.452   2.395  -8.367
  520    HZ1  LYS  69           HZ1      LYS  69 -16.220   0.549 -10.034
  521    HZ2  LYS  69           HZ2      LYS  69 -14.575   0.516 -10.445
  522    HZ3  LYS  69           HZ3      LYS  69 -15.460   1.960 -10.597
  523    H    SER  70           HN       SER  70 -12.048  -1.175  -4.953
  524    HA   SER  70           HA       SER  70 -13.684  -3.024  -3.560
  525    HB2  SER  70           HB2      SER  70 -10.788  -3.120  -4.391
  526    HB3  SER  70           HB1      SER  70 -11.720  -4.499  -3.749
  527    HG   SER  70           HG       SER  70 -11.543  -3.686  -6.259
  528    H    THR  71           HN       THR  71 -14.067  -2.559  -1.546
  529    HA   THR  71           HA       THR  71 -13.053  -0.987   0.266
  530    HB   THR  71           HB       THR  71 -13.776  -2.512   2.005
  531    HG1  THR  71           HG1      THR  71 -13.035  -4.385   0.414
  532   HG21  THR  71          HG21      THR  71 -15.371  -1.590  -0.132
  533   HG22  THR  71          HG22      THR  71 -15.849  -1.920   1.534
  534   HG23  THR  71          HG23      THR  71 -15.948  -3.195   0.318
  535    H    VAL  72           HN       VAL  72 -11.096  -0.536   1.012
  536    HA   VAL  72           HA       VAL  72  -8.859  -2.034   0.784
  537    HB   VAL  72           HB       VAL  72  -8.314  -0.487   3.017
  538   HG11  VAL  72          HG11      VAL  72  -6.712  -0.328   1.453
  539   HG12  VAL  72          HG12      VAL  72  -7.628   1.080   0.910
  540   HG13  VAL  72          HG13      VAL  72  -7.848  -0.478   0.115
  541   HG21  VAL  72          HG21      VAL  72 -10.704   0.484   2.452
  542   HG22  VAL  72          HG22      VAL  72  -9.847   1.271   1.111
  543   HG23  VAL  72          HG23      VAL  72  -9.365   1.583   2.783
  544    H    GLY  73           HN       GLY  73 -11.435  -2.511   2.839
  545    HA2  GLY  73           HA2      GLY  73 -10.172  -3.820   5.023
  546    HA3  GLY  73           HA1      GLY  73 -11.837  -3.967   4.496
  547    H    ASN  74           HN       ASN  74 -12.218  -5.256   2.520
  548    HA   ASN  74           HA       ASN  74 -11.284  -7.870   2.950
  549    HB2  ASN  74           HB2      ASN  74 -12.631  -6.690   0.497
  550    HB3  ASN  74           HB1      ASN  74 -12.416  -8.424   0.798
  551   HD21  ASN  74          HD21      ASN  74 -14.267  -9.317   1.380
  552   HD22  ASN  74          HD22      ASN  74 -15.439  -8.620   2.462
  553    H    ILE  75           HN       ILE  75 -10.030  -5.298   1.040
  554    HA   ILE  75           HA       ILE  75  -8.356  -6.962  -0.611
  555    HB   ILE  75           HB       ILE  75  -8.322  -4.056   0.008
  556   HG12  ILE  75          HG12      ILE  75 -10.208  -4.799  -1.355
  557   HG13  ILE  75          HG11      ILE  75  -9.083  -3.878  -2.380
  558   HG21  ILE  75          HG21      ILE  75  -6.521  -3.688  -1.404
  559   HG22  ILE  75          HG22      ILE  75  -6.692  -5.263  -2.183
  560   HG23  ILE  75          HG23      ILE  75  -6.053  -5.154  -0.546
  561   HD11  ILE  75          HD11      ILE  75  -9.878  -6.690  -2.506
  562   HD12  ILE  75          HD12      ILE  75  -8.149  -6.400  -2.699
  563   HD13  ILE  75          HD13      ILE  75  -9.302  -5.603  -3.771
  564    H    SER  76           HN       SER  76  -7.989  -5.228   2.422
  565    HA   SER  76           HA       SER  76  -5.203  -5.896   2.625
  566    HB2  SER  76           HB2      SER  76  -5.917  -3.933   3.768
  567    HB3  SER  76           HB1      SER  76  -7.173  -4.817   4.644
  568    HG   SER  76           HG       SER  76  -5.725  -5.271   6.094
  569    H    ASN  77           HN       ASN  77  -8.161  -7.479   3.315
  570    HA   ASN  77           HA       ASN  77  -7.087  -9.552   4.980
  571    HB2  ASN  77           HB2      ASN  77  -9.476  -9.475   3.128
  572    HB3  ASN  77           HB1      ASN  77  -8.994 -10.933   4.000
  573   HD21  ASN  77          HD21      ASN  77 -10.058 -11.262   5.790
  574   HD22  ASN  77          HD22      ASN  77 -10.739 -10.043   6.822
  575    H    ASP  78           HN       ASP  78  -6.980  -8.674   1.633
  576    HA   ASP  78           HA       ASP  78  -5.853 -11.215   0.803
  577    HB2  ASP  78           HB2      ASP  78  -6.270  -8.621  -0.683
  578    HB3  ASP  78           HB1      ASP  78  -5.453 -10.031  -1.402
  579    H    ILE  79           HN       ILE  79  -4.710  -7.977   1.554
  580    HA   ILE  79           HA       ILE  79  -2.170  -8.338   0.440
  581    HB   ILE  79           HB       ILE  79  -2.827  -6.474   2.758
  582   HG12  ILE  79          HG12      ILE  79  -3.070  -6.042  -0.233
  583   HG13  ILE  79          HG11      ILE  79  -4.436  -6.300   0.875
  584   HG21  ILE  79          HG21      ILE  79  -0.402  -6.804   2.099
  585   HG22  ILE  79          HG22      ILE  79  -0.998  -5.148   1.952
  586   HG23  ILE  79          HG23      ILE  79  -0.820  -6.150   0.514
  587   HD11  ILE  79          HD11      ILE  79  -3.725  -4.222   2.062
  588   HD12  ILE  79          HD12      ILE  79  -4.275  -3.977   0.402
  589   HD13  ILE  79          HD13      ILE  79  -2.548  -3.955   0.774
  590    H    ASN  80           HN       ASN  80  -3.500  -9.459   3.389
  591    HA   ASN  80           HA       ASN  80  -1.024  -9.905   4.723
  592    HB2  ASN  80           HB2      ASN  80  -3.832 -10.856   5.206
  593    HB3  ASN  80           HB1      ASN  80  -2.477 -11.405   6.176
  594   HD21  ASN  80          HD21      ASN  80  -4.892  -9.227   6.079
  595   HD22  ASN  80          HD22      ASN  80  -4.206  -7.978   7.074
  596    H    LYS  81           HN       LYS  81  -2.976 -11.799   2.456
  597    HA   LYS  81           HA       LYS  81  -1.300 -14.105   2.903
  598    HB2  LYS  81           HB2      LYS  81  -2.462 -15.089   0.903
  599    HB3  LYS  81           HB1      LYS  81  -3.472 -14.755   2.296
  600    HG2  LYS  81           HG2      LYS  81  -3.311 -12.607   0.295
  601    HG3  LYS  81           HG1      LYS  81  -4.129 -14.104  -0.216
  602    HD2  LYS  81           HD2      LYS  81  -4.723 -12.559   2.298
  603    HD3  LYS  81           HD1      LYS  81  -5.642 -12.424   0.796
  604    HE2  LYS  81           HE2      LYS  81  -6.215 -14.809   0.951
  605    HE3  LYS  81           HE1      LYS  81  -5.318 -14.919   2.467
  606    HZ1  LYS  81           HZ1      LYS  81  -7.929 -13.740   1.928
  607    HZ2  LYS  81           HZ2      LYS  81  -6.936 -12.893   3.014
  608    HZ3  LYS  81           HZ3      LYS  81  -7.347 -14.507   3.333
  609    H    LEU  82           HN       LEU  82  -1.798 -11.752   0.248
  610    HA   LEU  82           HA       LEU  82   0.084 -12.586  -1.547
  611    HB2  LEU  82           HB2      LEU  82  -0.916  -9.912  -0.744
  612    HB3  LEU  82           HB1      LEU  82   0.394 -10.049  -1.930
  613    HG   LEU  82           HG       LEU  82  -1.867  -9.856  -2.909
  614   HD11  LEU  82          HD11      LEU  82   0.165 -11.768  -3.541
  615   HD12  LEU  82          HD12      LEU  82  -0.802 -10.769  -4.627
  616   HD13  LEU  82          HD13      LEU  82  -1.415 -12.332  -4.086
  617   HD21  LEU  82          HD21      LEU  82  -3.199 -11.109  -1.356
  618   HD22  LEU  82          HD22      LEU  82  -2.315 -12.582  -1.767
  619   HD23  LEU  82          HD23      LEU  82  -3.339 -11.803  -2.972
  620    H    ASN  83           HN       ASN  83   0.583 -10.988   1.503
  621    HA   ASN  83           HA       ASN  83   2.452 -10.318   2.671
  622    HB2  ASN  83           HB2      ASN  83   2.299 -12.816   2.859
  623    HB3  ASN  83           HB1      ASN  83   3.450 -12.942   1.528
  624   HD21  ASN  83          HD21      ASN  83   4.289 -10.277   3.319
  625   HD22  ASN  83          HD22      ASN  83   5.473 -11.014   4.356
  626    H    ILE  84           HN       ILE  84   2.671  -8.670   0.737
  627    HA   ILE  84           HA       ILE  84   5.032  -9.205  -0.843
  628    HB   ILE  84           HB       ILE  84   3.212  -6.818  -0.939
  629   HG12  ILE  84          HG12      ILE  84   3.297  -9.297  -2.683
  630   HG13  ILE  84          HG11      ILE  84   2.033  -8.910  -1.490
  631   HG21  ILE  84          HG21      ILE  84   5.495  -6.451  -1.839
  632   HG22  ILE  84          HG22      ILE  84   4.234  -6.324  -3.066
  633   HG23  ILE  84          HG23      ILE  84   5.224  -7.780  -2.969
  634   HD11  ILE  84          HD11      ILE  84   1.147  -7.235  -2.805
  635   HD12  ILE  84          HD12      ILE  84   1.623  -8.444  -3.998
  636   HD13  ILE  84          HD13      ILE  84   2.635  -7.025  -3.729
  637    H    LYS  85           HN       LYS  85   6.819  -8.999   0.374
  638    HA   LYS  85           HA       LYS  85   7.391  -6.308   1.345
  639    HB2  LYS  85           HB2      LYS  85   6.475  -7.834   3.199
  640    HB3  LYS  85           HB1      LYS  85   7.965  -8.744   3.027
  641    HG2  LYS  85           HG2      LYS  85   7.811  -5.828   3.758
  642    HG3  LYS  85           HG1      LYS  85   7.986  -7.158   4.904
  643    HD2  LYS  85           HD2      LYS  85  10.112  -7.769   3.908
  644    HD3  LYS  85           HD1      LYS  85   9.916  -6.530   2.668
  645    HE2  LYS  85           HE2      LYS  85   9.950  -4.808   4.448
  646    HE3  LYS  85           HE1      LYS  85  10.239  -6.078   5.637
  647    HZ1  LYS  85           HZ1      LYS  85  12.164  -6.489   3.739
  648    HZ2  LYS  85           HZ2      LYS  85  12.390  -5.727   5.244
  649    HZ3  LYS  85           HZ3      LYS  85  12.079  -4.792   3.857
  650    H    GLY  86           HN       GLY  86   8.876  -6.030  -0.256
  651    HA2  GLY  86           HA2      GLY  86  11.034  -5.961  -1.032
  652    HA3  GLY  86           HA1      GLY  86  11.465  -7.126   0.226
  653    HA   PRO  87           HA       PRO  87  12.964  -6.300  -1.617
  654    HB2  PRO  87           HB2      PRO  87  14.445  -6.380  -3.804
  655    HB3  PRO  87           HB1      PRO  87  14.551  -7.663  -2.592
  656    HG2  PRO  87           HG2      PRO  87  13.148  -7.644  -5.229
  657    HG3  PRO  87           HG1      PRO  87  14.083  -8.948  -4.471
  658    HD2  PRO  87           HD2      PRO  87  11.278  -8.708  -4.410
  659    HD3  PRO  87           HD1      PRO  87  12.270  -9.730  -3.320
  660    H    TYR  88           HN       TYR  88  13.673  -4.340  -2.964
  661    HA   TYR  88           HA       TYR  88  12.812  -2.270  -3.538
  662    HB2  TYR  88           HB2      TYR  88  12.662  -3.937  -6.060
  663    HB3  TYR  88           HB1      TYR  88  12.498  -2.149  -6.035
  664    HD1  TYR  88           HD1      TYR  88  14.379  -1.209  -6.936
  665    HD2  TYR  88           HD2      TYR  88  14.860  -4.530  -4.325
  666    HE1  TYR  88           HE1      TYR  88  16.819  -0.959  -7.077
  667    HE2  TYR  88           HE2      TYR  88  17.303  -4.288  -4.457
  668    HH   TYR  88           HH       TYR  88  18.905  -2.180  -4.976
  669    H    ILE  89           HN       ILE  89  10.930  -1.921  -2.409
  670    HA   ILE  89           HA       ILE  89   8.409  -2.855  -3.582
  671    HB   ILE  89           HB       ILE  89   8.851  -1.369  -0.968
  672   HG12  ILE  89          HG12      ILE  89   8.338  -3.779  -0.027
  673   HG13  ILE  89          HG11      ILE  89   8.845  -4.295  -1.657
  674   HG21  ILE  89          HG21      ILE  89   6.496  -2.762  -2.200
  675   HG22  ILE  89          HG22      ILE  89   6.603  -1.130  -1.540
  676   HG23  ILE  89          HG23      ILE  89   6.618  -2.522  -0.457
  677   HD11  ILE  89          HD11      ILE  89  10.554  -4.193   0.330
  678   HD12  ILE  89          HD12      ILE  89  10.632  -2.487  -0.106
  679   HD13  ILE  89          HD13      ILE  89  11.029  -3.720  -1.303
  680    H    GLU  90           HN       GLU  90   6.948  -1.603  -4.426
  681    HA   GLU  90           HA       GLU  90   7.200   1.293  -4.115
  682    HB2  GLU  90           HB2      GLU  90   8.254   0.712  -6.282
  683    HB3  GLU  90           HB1      GLU  90   6.735  -0.049  -6.788
  684    HG2  GLU  90           HG2      GLU  90   5.608   2.087  -6.712
  685    HG3  GLU  90           HG1      GLU  90   7.074   2.868  -6.116
  686    H    ILE  91           HN       ILE  91   5.524   1.116  -2.691
  687    HA   ILE  91           HA       ILE  91   2.944   0.121  -3.583
  688    HB   ILE  91           HB       ILE  91   4.002   1.009  -0.902
  689   HG12  ILE  91          HG12      ILE  91   3.253  -1.692  -1.998
  690   HG13  ILE  91          HG11      ILE  91   4.864  -1.127  -1.566
  691   HG21  ILE  91          HG21      ILE  91   2.007   0.508   0.170
  692   HG22  ILE  91          HG22      ILE  91   1.340  -0.299  -1.247
  693   HG23  ILE  91          HG23      ILE  91   1.531   1.456  -1.232
  694   HD11  ILE  91          HD11      ILE  91   2.602  -1.462   0.386
  695   HD12  ILE  91          HD12      ILE  91   4.287  -1.093   0.758
  696   HD13  ILE  91          HD13      ILE  91   3.858  -2.666   0.087
  697    H    LYS  92           HN       LYS  92   2.032   1.687  -4.928
  698    HA   LYS  92           HA       LYS  92   1.065   4.059  -3.657
  699    HB2  LYS  92           HB2      LYS  92   2.274   5.741  -4.608
  700    HB3  LYS  92           HB1      LYS  92   3.534   4.504  -4.604
  701    HG2  LYS  92           HG2      LYS  92   1.776   5.225  -6.947
  702    HG3  LYS  92           HG1      LYS  92   3.436   5.752  -6.706
  703    HD2  LYS  92           HD2      LYS  92   4.222   3.459  -6.936
  704    HD3  LYS  92           HD1      LYS  92   2.553   2.887  -7.032
  705    HE2  LYS  92           HE2      LYS  92   2.217   3.790  -9.156
  706    HE3  LYS  92           HE1      LYS  92   3.509   4.968  -8.937
  707    HZ1  LYS  92           HZ1      LYS  92   5.137   3.162  -9.106
  708    HZ2  LYS  92           HZ2      LYS  92   4.200   3.337 -10.513
  709    HZ3  LYS  92           HZ3      LYS  92   3.874   2.080  -9.429
  710    H    GLN  93           HN       GLN  93  -0.321   5.387  -5.214
  711    HA   GLN  93           HA       GLN  93  -1.775   3.548  -6.902
  712    HB2  GLN  93           HB2      GLN  93  -3.320   5.310  -7.359
  713    HB3  GLN  93           HB1      GLN  93  -3.026   5.224  -5.615
  714    HG2  GLN  93           HG2      GLN  93  -1.517   7.110  -5.752
  715    HG3  GLN  93           HG1      GLN  93  -1.723   7.150  -7.501
  716   HE21  GLN  93          HE21      GLN  93  -3.038   8.678  -8.166
  717   HE22  GLN  93          HE22      GLN  93  -4.409   9.297  -7.313
  718    H    ILE  94           HN       ILE  94  -2.399   4.208  -9.085
  719    HA   ILE  94           HA       ILE  94  -0.076   5.287 -10.529
  720    HB   ILE  94           HB       ILE  94  -0.526   3.451 -12.156
  721   HG12  ILE  94          HG12      ILE  94  -2.243   2.515  -9.850
  722   HG13  ILE  94          HG11      ILE  94  -2.772   2.918 -11.479
  723   HG21  ILE  94          HG21      ILE  94   1.273   2.650 -11.128
  724   HG22  ILE  94          HG22      ILE  94   0.189   1.755 -10.054
  725   HG23  ILE  94          HG23      ILE  94   0.765   3.360  -9.595
  726   HD11  ILE  94          HD11      ILE  94  -1.965   0.437 -10.439
  727   HD12  ILE  94          HD12      ILE  94  -0.799   0.913 -11.674
  728   HD13  ILE  94          HD13      ILE  94  -2.515   0.814 -12.071
  Start of MODEL    8
    1    H    ASP   1           HT1      ASP   1  18.091   9.039   5.072
    2    HA   ASP   1           HA       ASP   1  20.021   8.591   7.242
    3    HB2  ASP   1           HB2      ASP   1  17.010   8.298   7.454
    4    HB3  ASP   1           HB1      ASP   1  18.175   7.750   8.655
    5    H    ASN   2           HN       ASN   2  20.014   7.665   4.590
    6    HA   ASN   2           HA       ASN   2  18.653   5.158   4.397
    7    HB2  ASN   2           HB2      ASN   2  19.224   6.594   2.445
    8    HB3  ASN   2           HB1      ASN   2  20.927   6.245   2.716
    9   HD21  ASN   2          HD21      ASN   2  18.289   5.433   0.960
   10   HD22  ASN   2          HD22      ASN   2  18.747   3.840   0.459
   11    H    GLN   3           HN       GLN   3  21.787   6.192   5.521
   12    HA   GLN   3           HA       GLN   3  23.098   3.679   5.433
   13    HB2  GLN   3           HB2      GLN   3  23.570   6.004   7.312
   14    HB3  GLN   3           HB1      GLN   3  24.659   4.645   7.072
   15    HG2  GLN   3           HG2      GLN   3  23.894   6.701   5.008
   16    HG3  GLN   3           HG1      GLN   3  25.432   6.594   5.864
   17   HE21  GLN   3          HE21      GLN   3  27.000   5.672   4.773
   18   HE22  GLN   3          HE22      GLN   3  26.820   4.512   3.505
   19    H    LYS   4           HN       LYS   4  20.889   5.154   7.700
   20    HA   LYS   4           HA       LYS   4  21.169   2.873   9.525
   21    HB2  LYS   4           HB2      LYS   4  19.646   5.469   9.857
   22    HB3  LYS   4           HB1      LYS   4  19.766   4.201  11.069
   23    HG2  LYS   4           HG2      LYS   4  22.171   4.544  11.221
   24    HG3  LYS   4           HG1      LYS   4  22.085   5.781   9.965
   25    HD2  LYS   4           HD2      LYS   4  22.211   6.795  12.176
   26    HD3  LYS   4           HD1      LYS   4  20.660   7.151  11.413
   27    HE2  LYS   4           HE2      LYS   4  19.595   5.397  12.732
   28    HE3  LYS   4           HE1      LYS   4  21.148   4.988  13.463
   29    HZ1  LYS   4           HZ1      LYS   4  20.501   6.396  15.057
   30    HZ2  LYS   4           HZ2      LYS   4  19.330   7.149  14.088
   31    HZ3  LYS   4           HZ3      LYS   4  20.954   7.630  13.978
   32    H    ALA   5           HN       ALA   5  19.486   3.733   6.855
   33    HA   ALA   5           HA       ALA   5  17.545   3.156   5.849
   34    HB1  ALA   5           HB1      ALA   5  17.708   0.944   5.668
   35    HB2  ALA   5           HB2      ALA   5  16.728   0.811   7.129
   36    HB3  ALA   5           HB3      ALA   5  18.488   0.817   7.246
   37    H    LEU   6           HN       LEU   6  17.123   5.064   7.671
   38    HA   LEU   6           HA       LEU   6  14.907   4.213   9.380
   39    HB2  LEU   6           HB2      LEU   6  16.745   5.467  10.407
   40    HB3  LEU   6           HB1      LEU   6  16.464   6.799   9.303
   41    HG   LEU   6           HG       LEU   6  14.241   7.155  10.313
   42   HD11  LEU   6          HD11      LEU   6  13.294   5.780  11.798
   43   HD12  LEU   6          HD12      LEU   6  14.799   5.555  12.690
   44   HD13  LEU   6          HD13      LEU   6  14.480   4.596  11.245
   45   HD21  LEU   6          HD21      LEU   6  15.064   8.443  11.984
   46   HD22  LEU   6          HD22      LEU   6  16.590   8.034  11.198
   47   HD23  LEU   6          HD23      LEU   6  16.073   7.152  12.635
   48    H    GLU   7           HN       GLU   7  15.580   6.111   6.560
   49    HA   GLU   7           HA       GLU   7  13.441   7.870   6.541
   50    HB2  GLU   7           HB2      GLU   7  14.753   6.510   4.182
   51    HB3  GLU   7           HB1      GLU   7  13.734   7.942   4.093
   52    HG2  GLU   7           HG2      GLU   7  15.333   9.163   5.482
   53    HG3  GLU   7           HG1      GLU   7  16.360   7.731   5.547
   54    H    GLU   8           HN       GLU   8  13.586   4.583   5.238
   55    HA   GLU   8           HA       GLU   8  11.163   4.380   4.010
   56    HB2  GLU   8           HB2      GLU   8  12.615   2.288   5.627
   57    HB3  GLU   8           HB1      GLU   8  11.288   1.951   4.521
   58    HG2  GLU   8           HG2      GLU   8  12.590   2.769   2.655
   59    HG3  GLU   8           HG1      GLU   8  13.907   3.217   3.740
   60    H    GLN   9           HN       GLN   9  11.793   3.957   7.484
   61    HA   GLN   9           HA       GLN   9   9.008   3.332   7.950
   62    HB2  GLN   9           HB2      GLN   9  11.242   3.692   9.957
   63    HB3  GLN   9           HB1      GLN   9   9.624   3.129  10.327
   64    HG2  GLN   9           HG2      GLN   9  10.864   1.184  10.270
   65    HG3  GLN   9           HG1      GLN   9  10.122   1.228   8.673
   66   HE21  GLN   9          HE21      GLN   9  12.532   3.535   8.908
   67   HE22  GLN   9          HE22      GLN   9  13.818   2.642   8.171
   68    H    MET  10           HN       MET  10  10.280   6.202   7.251
   69    HA   MET  10           HA       MET  10   8.785   7.574   9.401
   70    HB2  MET  10           HB2      MET  10  11.104   8.319   9.204
   71    HB3  MET  10           HB1      MET  10  10.860   8.690   7.501
   72    HG2  MET  10           HG2      MET  10   9.203  10.393   8.128
   73    HG3  MET  10           HG1      MET  10   9.502  10.038   9.828
   74    HE1  MET  10           HE1      MET  10  10.770  13.127  10.200
   75    HE2  MET  10           HE2      MET  10   9.367  12.556   9.295
   76    HE3  MET  10           HE3      MET  10  10.620  13.493   8.482
   77    H    ASN  11           HN       ASN  11   9.580   8.605   6.117
   78    HA   ASN  11           HA       ASN  11   6.713   9.072   5.623
   79    HB2  ASN  11           HB2      ASN  11   9.172  10.260   4.351
   80    HB3  ASN  11           HB1      ASN  11   7.558  10.416   3.657
   81   HD21  ASN  11          HD21      ASN  11   7.026  10.347   6.862
   82   HD22  ASN  11          HD22      ASN  11   7.107  12.034   7.240
   83    H    SER  12           HN       SER  12   9.670   8.147   4.067
   84    HA   SER  12           HA       SER  12   9.292   7.505   1.669
   85    HB2  SER  12           HB2      SER  12  10.377   5.533   3.693
   86    HB3  SER  12           HB1      SER  12  10.693   5.425   1.949
   87    HG   SER  12           HG       SER  12  11.598   7.328   3.813
   88    H    ILE  13           HN       ILE  13   8.612   4.790   3.811
   89    HA   ILE  13           HA       ILE  13   6.736   3.597   1.948
   90    HB   ILE  13           HB       ILE  13   7.600   2.870   4.749
   91   HG12  ILE  13          HG12      ILE  13   8.348   1.723   2.056
   92   HG13  ILE  13          HG11      ILE  13   9.385   2.656   3.162
   93   HG21  ILE  13          HG21      ILE  13   6.234   0.912   2.956
   94   HG22  ILE  13          HG22      ILE  13   5.251   2.088   3.829
   95   HG23  ILE  13          HG23      ILE  13   6.292   0.974   4.718
   96   HD11  ILE  13          HD11      ILE  13   8.175   0.220   4.291
   97   HD12  ILE  13          HD12      ILE  13   9.803   0.876   4.469
   98   HD13  ILE  13          HD13      ILE  13   9.370  -0.028   3.018
   99    H    ASN  14           HN       ASN  14   6.495   4.373   5.369
  100    HA   ASN  14           HA       ASN  14   3.930   4.195   5.918
  101    HB2  ASN  14           HB2      ASN  14   5.693   6.465   6.807
  102    HB3  ASN  14           HB1      ASN  14   4.144   6.070   7.545
  103   HD21  ASN  14          HD21      ASN  14   4.367   4.986   9.352
  104   HD22  ASN  14          HD22      ASN  14   5.584   3.806   9.692
  105    H    SER  15           HN       SER  15   5.091   6.931   3.959
  106    HA   SER  15           HA       SER  15   2.745   8.479   4.090
  107    HB2  SER  15           HB2      SER  15   3.414   9.458   1.944
  108    HB3  SER  15           HB1      SER  15   4.770   9.379   3.076
  109    HG   SER  15           HG       SER  15   5.568   7.592   1.973
  110    H    VAL  16           HN       VAL  16   3.547   5.572   2.458
  111    HA   VAL  16           HA       VAL  16   1.728   5.181   0.428
  112    HB   VAL  16           HB       VAL  16   3.536   3.572   1.259
  113   HG11  VAL  16          HG11      VAL  16   2.210   1.851   2.905
  114   HG12  VAL  16          HG12      VAL  16   1.704   3.421   3.530
  115   HG13  VAL  16          HG13      VAL  16   3.420   3.034   3.406
  116   HG21  VAL  16          HG21      VAL  16   2.265   1.524   0.685
  117   HG22  VAL  16          HG22      VAL  16   1.934   2.845  -0.433
  118   HG23  VAL  16          HG23      VAL  16   0.753   2.427   0.819
  119    H    ASN  17           HN       ASN  17   1.223   5.310   3.823
  120    HA   ASN  17           HA       ASN  17  -1.453   4.209   3.729
  121    HB2  ASN  17           HB2      ASN  17   0.205   5.342   5.987
  122    HB3  ASN  17           HB1      ASN  17  -1.424   4.701   6.193
  123   HD21  ASN  17          HD21      ASN  17  -0.428   2.839   3.851
  124   HD22  ASN  17          HD22      ASN  17   0.347   1.564   4.716
  125    H    ASP  18           HN       ASP  18   0.097   7.298   3.933
  126    HA   ASP  18           HA       ASP  18  -2.105   8.874   4.692
  127    HB2  ASP  18           HB2      ASP  18   0.410   9.380   3.122
  128    HB3  ASP  18           HB1      ASP  18  -0.748  10.654   3.404
  129    H    LYS  19           HN       LYS  19  -1.578   7.148   1.775
  130    HA   LYS  19           HA       LYS  19  -3.411   8.872   0.234
  131    HB2  LYS  19           HB2      LYS  19  -2.160   6.249  -0.627
  132    HB3  LYS  19           HB1      LYS  19  -3.070   7.367  -1.646
  133    HG2  LYS  19           HG2      LYS  19  -0.842   7.753  -2.199
  134    HG3  LYS  19           HG1      LYS  19  -1.241   9.077  -1.080
  135    HD2  LYS  19           HD2      LYS  19  -0.308   7.751   0.765
  136    HD3  LYS  19           HD1      LYS  19   0.137   6.506  -0.393
  137    HE2  LYS  19           HE2      LYS  19   1.159   9.327  -0.312
  138    HE3  LYS  19           HE1      LYS  19   2.027   7.878   0.225
  139    HZ1  LYS  19           HZ1      LYS  19   2.473   8.859  -2.127
  140    HZ2  LYS  19           HZ2      LYS  19   1.040   8.051  -2.560
  141    HZ3  LYS  19           HZ3      LYS  19   2.354   7.174  -1.930
  142    H    LEU  20           HN       LEU  20  -3.014   5.668   1.456
  143    HA   LEU  20           HA       LEU  20  -5.466   4.578   0.731
  144    HB2  LEU  20           HB2      LEU  20  -3.671   3.973   3.079
  145    HB3  LEU  20           HB1      LEU  20  -4.875   2.879   2.402
  146    HG   LEU  20           HG       LEU  20  -2.458   3.886   0.889
  147   HD11  LEU  20          HD11      LEU  20  -1.226   2.246   1.727
  148   HD12  LEU  20          HD12      LEU  20  -2.510   1.062   1.481
  149   HD13  LEU  20          HD13      LEU  20  -2.479   2.036   2.951
  150   HD21  LEU  20          HD21      LEU  20  -3.164   2.706  -0.897
  151   HD22  LEU  20          HD22      LEU  20  -4.751   2.964  -0.170
  152   HD23  LEU  20          HD23      LEU  20  -3.897   1.443   0.091
  153    H    ASN  21           HN       ASN  21  -4.352   6.254   3.595
  154    HA   ASN  21           HA       ASN  21  -6.766   5.974   5.076
  155    HB2  ASN  21           HB2      ASN  21  -4.202   7.488   5.461
  156    HB3  ASN  21           HB1      ASN  21  -5.570   7.790   6.532
  157   HD21  ASN  21          HD21      ASN  21  -2.789   6.158   6.299
  158   HD22  ASN  21          HD22      ASN  21  -3.147   4.789   7.316
  159    H    LYS  22           HN       LYS  22  -8.525   6.950   4.015
  160    HA   LYS  22           HA       LYS  22  -8.171   9.844   3.572
  161    HB2  LYS  22           HB2      LYS  22  -9.611   7.865   1.833
  162    HB3  LYS  22           HB1      LYS  22  -9.905   9.610   1.727
  163    HG2  LYS  22           HG2      LYS  22  -7.566   9.999   1.219
  164    HG3  LYS  22           HG1      LYS  22  -7.215   8.280   1.406
  165    HD2  LYS  22           HD2      LYS  22  -8.549   7.737  -0.497
  166    HD3  LYS  22           HD1      LYS  22  -9.134   9.400  -0.638
  167    HE2  LYS  22           HE2      LYS  22  -6.294   8.445  -0.994
  168    HE3  LYS  22           HE1      LYS  22  -7.398   8.926  -2.283
  169    HZ1  LYS  22           HZ1      LYS  22  -7.491  11.134  -0.916
  170    HZ2  LYS  22           HZ2      LYS  22  -6.198  10.832  -1.979
  171    HZ3  LYS  22           HZ3      LYS  22  -5.995  10.596  -0.310
  172    H    GLY  23           HN       GLY  23 -10.623   7.408   4.484
  173    HA2  GLY  23           HA2      GLY  23 -11.746   8.981   6.435
  174    HA3  GLY  23           HA1      GLY  23 -12.609   9.350   4.934
  175    H    LYS  24           HN       LYS  24 -13.837   7.705   3.923
  176    HA   LYS  24           HA       LYS  24 -15.432   6.159   5.593
  177    HB2  LYS  24           HB2      LYS  24 -15.852   6.812   3.176
  178    HB3  LYS  24           HB1      LYS  24 -14.796   5.470   2.691
  179    HG2  LYS  24           HG2      LYS  24 -17.023   4.703   2.510
  180    HG3  LYS  24           HG1      LYS  24 -16.355   3.953   3.971
  181    HD2  LYS  24           HD2      LYS  24 -17.486   5.543   5.372
  182    HD3  LYS  24           HD1      LYS  24 -18.007   6.477   3.964
  183    HE2  LYS  24           HE2      LYS  24 -19.375   4.613   3.216
  184    HE3  LYS  24           HE1      LYS  24 -18.841   3.650   4.596
  185    HZ1  LYS  24           HZ1      LYS  24 -20.017   6.241   5.223
  186    HZ2  LYS  24           HZ2      LYS  24 -20.209   4.738   5.998
  187    HZ3  LYS  24           HZ3      LYS  24 -21.078   5.080   4.576
  188    H    GLY  25           HN       GLY  25 -12.649   5.276   3.694
  189    HA2  GLY  25           HA2      GLY  25 -12.039   3.093   5.461
  190    HA3  GLY  25           HA1      GLY  25 -12.323   2.673   3.795
  191    H    LYS  26           HN       LYS  26  -9.999   2.451   5.453
  192    HA   LYS  26           HA       LYS  26  -8.084   3.974   3.884
  193    HB2  LYS  26           HB2      LYS  26  -7.062   4.427   6.201
  194    HB3  LYS  26           HB1      LYS  26  -8.415   5.419   5.643
  195    HG2  LYS  26           HG2      LYS  26  -9.899   3.773   6.796
  196    HG3  LYS  26           HG1      LYS  26  -8.442   3.118   7.559
  197    HD2  LYS  26           HD2      LYS  26  -9.557   4.776   9.002
  198    HD3  LYS  26           HD1      LYS  26  -7.944   5.308   8.509
  199    HE2  LYS  26           HE2      LYS  26  -8.854   6.750   6.839
  200    HE3  LYS  26           HE1      LYS  26 -10.481   6.111   7.092
  201    HZ1  LYS  26           HZ1      LYS  26 -10.646   7.206   9.144
  202    HZ2  LYS  26           HZ2      LYS  26  -9.862   8.347   8.160
  203    HZ3  LYS  26           HZ3      LYS  26  -8.967   7.433   9.273
  204    H    LEU  27           HN       LEU  27  -5.869   3.220   4.255
  205    HA   LEU  27           HA       LEU  27  -5.765   0.495   5.310
  206    HB2  LEU  27           HB2      LEU  27  -6.092   0.188   3.048
  207    HB3  LEU  27           HB1      LEU  27  -4.920   1.448   2.603
  208    HG   LEU  27           HG       LEU  27  -3.105   0.034   3.421
  209   HD11  LEU  27          HD11      LEU  27  -3.407  -1.837   4.628
  210   HD12  LEU  27          HD12      LEU  27  -4.622  -2.453   3.506
  211   HD13  LEU  27          HD13      LEU  27  -5.092  -1.340   4.790
  212   HD21  LEU  27          HD21      LEU  27  -4.505  -0.208   1.082
  213   HD22  LEU  27          HD22      LEU  27  -4.420  -1.878   1.642
  214   HD23  LEU  27          HD23      LEU  27  -2.939  -0.948   1.416
  215    H    SER  28           HN       SER  28  -3.840  -0.122   6.208
  216    HA   SER  28           HA       SER  28  -1.638   1.825   6.285
  217    HB2  SER  28           HB2      SER  28  -2.963   1.819   8.431
  218    HB3  SER  28           HB1      SER  28  -2.590   0.095   8.586
  219    HG   SER  28           HG       SER  28  -0.970   2.320   9.005
  220    H    LEU  29           HN       LEU  29   0.459   0.839   6.542
  221    HA   LEU  29           HA       LEU  29   0.519  -2.067   6.348
  222    HB2  LEU  29           HB2      LEU  29   2.197  -0.377   4.499
  223    HB3  LEU  29           HB1      LEU  29   1.983  -2.145   4.517
  224    HG   LEU  29           HG       LEU  29  -0.309  -0.297   3.920
  225   HD11  LEU  29          HD11      LEU  29   0.223  -0.197   1.685
  226   HD12  LEU  29          HD12      LEU  29   1.198  -1.664   1.741
  227   HD13  LEU  29          HD13      LEU  29   1.843  -0.151   2.379
  228   HD21  LEU  29          HD21      LEU  29  -1.093  -2.437   4.368
  229   HD22  LEU  29          HD22      LEU  29   0.284  -3.211   3.581
  230   HD23  LEU  29          HD23      LEU  29  -0.950  -2.408   2.610
  231    H    SER  30           HN       SER  30   2.245  -2.945   7.375
  232    HA   SER  30           HA       SER  30   4.559  -1.319   8.019
  233    HB2  SER  30           HB2      SER  30   2.915  -2.681  10.180
  234    HB3  SER  30           HB1      SER  30   4.497  -1.939  10.421
  235    HG   SER  30           HG       SER  30   1.997  -0.758  10.075
  236    H    MET  31           HN       MET  31   6.080  -2.878   9.412
  237    HA   MET  31           HA       MET  31   5.807  -5.633   8.423
  238    HB2  MET  31           HB2      MET  31   8.235  -5.691   7.900
  239    HB3  MET  31           HB1      MET  31   7.300  -4.621   6.831
  240    HG2  MET  31           HG2      MET  31   8.087  -2.685   8.102
  241    HG3  MET  31           HG1      MET  31   9.019  -3.752   9.154
  242    HE1  MET  31           HE1      MET  31  11.309  -2.313   8.561
  243    HE2  MET  31           HE2      MET  31  10.177  -1.280   7.688
  244    HE3  MET  31           HE3      MET  31  11.655  -1.833   6.898
  245    H    ASN  32           HN       ASN  32   5.954  -6.981   9.998
  246    HA   ASN  32           HA       ASN  32   7.148  -6.174  12.539
  247    HB2  ASN  32           HB2      ASN  32   4.892  -7.258  12.531
  248    HB3  ASN  32           HB1      ASN  32   5.626  -8.711  11.830
  249   HD21  ASN  32          HD21      ASN  32   4.600  -7.342  14.626
  250   HD22  ASN  32          HD22      ASN  32   5.554  -8.247  15.766
  251    H    GLY  33           HN       GLY  33   9.303  -6.203  11.955
  252    HA2  GLY  33           HA2      GLY  33  11.406  -7.256  11.791
  253    HA3  GLY  33           HA1      GLY  33  10.568  -8.825  11.682
  254    H    ASN  34           HN       ASN  34  10.598  -9.757   9.765
  255    HA   ASN  34           HA       ASN  34  10.799  -8.053   7.366
  256    HB2  ASN  34           HB2      ASN  34  11.739 -10.900   7.769
  257    HB3  ASN  34           HB1      ASN  34  11.621 -10.133   6.191
  258   HD21  ASN  34          HD21      ASN  34  12.403  -7.692   8.181
  259   HD22  ASN  34          HD22      ASN  34  14.139  -7.753   8.070
  260    H    GLN  35           HN       GLN  35   8.423  -8.667   8.857
  261    HA   GLN  35           HA       GLN  35   6.973 -10.463   7.035
  262    HB2  GLN  35           HB2      GLN  35   6.912 -10.863   9.530
  263    HB3  GLN  35           HB1      GLN  35   6.062  -9.325   9.670
  264    HG2  GLN  35           HG2      GLN  35   4.522 -11.200   9.740
  265    HG3  GLN  35           HG1      GLN  35   4.233 -10.194   8.325
  266   HE21  GLN  35          HE21      GLN  35   4.376 -13.275   9.359
  267   HE22  GLN  35          HE22      GLN  35   4.789 -14.077   7.871
  268    H    LEU  36           HN       LEU  36   4.761  -9.741   6.410
  269    HA   LEU  36           HA       LEU  36   4.694  -6.822   6.099
  270    HB2  LEU  36           HB2      LEU  36   5.138  -7.958   4.072
  271    HB3  LEU  36           HB1      LEU  36   3.743  -9.021   4.272
  272    HG   LEU  36           HG       LEU  36   3.506  -7.259   2.499
  273   HD11  LEU  36          HD11      LEU  36   1.391  -7.855   2.936
  274   HD12  LEU  36          HD12      LEU  36   1.288  -6.315   3.790
  275   HD13  LEU  36          HD13      LEU  36   1.627  -7.798   4.683
  276   HD21  LEU  36          HD21      LEU  36   3.551  -5.401   4.879
  277   HD22  LEU  36          HD22      LEU  36   2.940  -4.961   3.286
  278   HD23  LEU  36          HD23      LEU  36   4.637  -5.400   3.488
  279    H    LYS  37           HN       LYS  37   3.031  -5.725   6.791
  280    HA   LYS  37           HA       LYS  37   0.690  -7.184   7.822
  281    HB2  LYS  37           HB2      LYS  37   2.408  -5.127   9.239
  282    HB3  LYS  37           HB1      LYS  37   0.919  -5.845   9.896
  283    HG2  LYS  37           HG2      LYS  37   3.342  -7.465   9.098
  284    HG3  LYS  37           HG1      LYS  37   3.079  -6.828  10.744
  285    HD2  LYS  37           HD2      LYS  37   0.879  -8.020  10.769
  286    HD3  LYS  37           HD1      LYS  37   1.316  -8.739   9.222
  287    HE2  LYS  37           HE2      LYS  37   3.250  -9.798  10.232
  288    HE3  LYS  37           HE1      LYS  37   2.860  -9.059  11.786
  289    HZ1  LYS  37           HZ1      LYS  37   0.580 -10.280  11.345
  290    HZ2  LYS  37           HZ2      LYS  37   1.894 -11.091  12.056
  291    HZ3  LYS  37           HZ3      LYS  37   1.566 -11.297  10.403
  292    H    ALA  38           HN       ALA  38  -1.013  -6.330   6.763
  293    HA   ALA  38           HA       ALA  38  -1.186  -3.421   6.394
  294    HB1  ALA  38           HB1      ALA  38  -2.638  -5.687   5.028
  295    HB2  ALA  38           HB2      ALA  38  -1.426  -4.616   4.323
  296    HB3  ALA  38           HB3      ALA  38  -3.005  -3.979   4.783
  297    H    THR  39           HN       THR  39  -3.036  -2.329   7.004
  298    HA   THR  39           HA       THR  39  -5.125  -3.751   8.430
  299    HB   THR  39           HB       THR  39  -5.041  -1.966  10.255
  300    HG1  THR  39           HG1      THR  39  -2.355  -1.735   9.357
  301   HG21  THR  39          HG21      THR  39  -3.539  -4.398  10.045
  302   HG22  THR  39          HG22      THR  39  -4.337  -3.682  11.447
  303   HG23  THR  39          HG23      THR  39  -2.682  -3.222  11.042
  304    H    SER  40           HN       SER  40  -7.058  -2.957   7.943
  305    HA   SER  40           HA       SER  40  -7.233  -0.299   6.636
  306    HB2  SER  40           HB2      SER  40  -9.310  -1.148   5.642
  307    HB3  SER  40           HB1      SER  40  -7.916  -2.134   5.194
  308    HG   SER  40           HG       SER  40  -9.099  -3.006   7.492
  309    H    SER  41           HN       SER  41  -8.403   1.197   7.656
  310    HA   SER  41           HA       SER  41  -9.668   0.304  10.138
  311    HB2  SER  41           HB2      SER  41  -8.983   3.113   9.240
  312    HB3  SER  41           HB1      SER  41  -9.695   2.689  10.798
  313    HG   SER  41           HG       SER  41  -7.092   2.552   9.974
  314    H    ASN  42           HN       ASN  42 -11.686   0.999  10.784
  315    HA   ASN  42           HA       ASN  42 -13.928   1.382  10.570
  316    HB2  ASN  42           HB2      ASN  42 -13.322   2.086   7.680
  317    HB3  ASN  42           HB1      ASN  42 -14.964   2.107   8.422
  318   HD21  ASN  42          HD21      ASN  42 -12.436   3.995   7.578
  319   HD22  ASN  42          HD22      ASN  42 -12.654   5.309   8.707
  320    H    ALA  43           HN       ALA  43 -12.013  -0.860   9.559
  321    HA   ALA  43           HA       ALA  43 -12.160  -3.059   9.045
  322    HB1  ALA  43           HB1      ALA  43 -13.984  -2.372  11.014
  323    HB2  ALA  43           HB2      ALA  43 -13.320  -3.971  10.679
  324    HB3  ALA  43           HB3      ALA  43 -14.852  -3.483   9.953
  325    H    GLY  44           HN       GLY  44 -12.522  -1.939   6.672
  326    HA2  GLY  44           HA2      GLY  44 -12.984  -3.179   4.740
  327    HA3  GLY  44           HA1      GLY  44 -14.409  -3.872   5.566
  328    H    TYR  45           HN       TYR  45 -13.663  -0.424   5.250
  329    HA   TYR  45           HA       TYR  45 -15.819  -0.279   3.267
  330    HB2  TYR  45           HB2      TYR  45 -15.031   1.834   5.298
  331    HB3  TYR  45           HB1      TYR  45 -16.099   2.131   3.909
  332    HD1  TYR  45           HD1      TYR  45 -18.373   2.260   4.544
  333    HD2  TYR  45           HD2      TYR  45 -15.843  -0.498   6.585
  334    HE1  TYR  45           HE1      TYR  45 -20.267   1.534   5.910
  335    HE2  TYR  45           HE2      TYR  45 -17.747  -1.231   7.946
  336    HH   TYR  45           HH       TYR  45 -20.920  -0.557   7.191
  337    H    GLY  46           HN       GLY  46 -15.433   1.224   1.527
  338    HA2  GLY  46           HA2      GLY  46 -12.596   1.361   0.881
  339    HA3  GLY  46           HA1      GLY  46 -13.931   1.737  -0.209
  340    H    ILE  47           HN       ILE  47 -12.248   3.535  -0.567
  341    HA   ILE  47           HA       ILE  47 -11.662   5.634   1.099
  342    HB   ILE  47           HB       ILE  47 -12.697   5.885  -1.699
  343   HG12  ILE  47          HG12      ILE  47 -10.957   4.214  -1.568
  344   HG13  ILE  47          HG11      ILE  47 -10.381   5.676  -2.352
  345   HG21  ILE  47          HG21      ILE  47 -11.885   8.007  -1.754
  346   HG22  ILE  47          HG22      ILE  47 -10.547   7.633  -0.670
  347   HG23  ILE  47          HG23      ILE  47 -12.159   7.908  -0.015
  348   HD11  ILE  47          HD11      ILE  47  -8.723   4.711  -0.834
  349   HD12  ILE  47          HD12      ILE  47  -9.857   4.921   0.501
  350   HD13  ILE  47          HD13      ILE  47  -9.211   6.334  -0.336
  351    H    SER  48           HN       SER  48 -14.380   5.165  -0.946
  352    HA   SER  48           HA       SER  48 -16.544   5.685   0.507
  353    HB2  SER  48           HB2      SER  48 -15.667   7.811   1.292
  354    HB3  SER  48           HB1      SER  48 -15.403   8.351  -0.370
  355    HG   SER  48           HG       SER  48 -17.833   8.023   1.051
  356    H    TYR  49           HN       TYR  49 -17.504   7.874  -1.556
  357    HA   TYR  49           HA       TYR  49 -17.985   5.922  -3.666
  358    HB2  TYR  49           HB2      TYR  49 -19.410   7.922  -4.558
  359    HB3  TYR  49           HB1      TYR  49 -19.988   6.927  -3.216
  360    HD1  TYR  49           HD1      TYR  49 -21.131   8.246  -1.625
  361    HD2  TYR  49           HD2      TYR  49 -17.639   9.868  -3.481
  362    HE1  TYR  49           HE1      TYR  49 -21.316  10.241  -0.235
  363    HE2  TYR  49           HE2      TYR  49 -17.842  11.872  -2.083
  364    HH   TYR  49           HH       TYR  49 -20.520  12.763  -0.512
  365    H    GLU  50           HN       GLU  50 -15.760   5.934  -4.298
  366    HA   GLU  50           HA       GLU  50 -15.369   7.760  -6.504
  367    HB2  GLU  50           HB2      GLU  50 -13.278   7.434  -4.335
  368    HB3  GLU  50           HB1      GLU  50 -12.991   8.204  -5.887
  369    HG2  GLU  50           HG2      GLU  50 -14.565   9.946  -5.346
  370    HG3  GLU  50           HG1      GLU  50 -14.943   9.162  -3.805
  371    H    ASP  51           HN       ASP  51 -13.108   7.014  -7.586
  372    HA   ASP  51           HA       ASP  51 -12.786   4.129  -7.203
  373    HB2  ASP  51           HB2      ASP  51 -12.858   5.351  -9.948
  374    HB3  ASP  51           HB1      ASP  51 -12.667   3.640  -9.552
  375    H    LYS  52           HN       LYS  52 -10.725   3.454  -7.189
  376    HA   LYS  52           HA       LYS  52  -8.602   5.250  -8.091
  377    HB2  LYS  52           HB2      LYS  52  -8.780   3.920  -5.400
  378    HB3  LYS  52           HB1      LYS  52  -7.330   4.663  -6.039
  379    HG2  LYS  52           HG2      LYS  52  -8.380   6.111  -4.436
  380    HG3  LYS  52           HG1      LYS  52  -8.446   6.828  -6.043
  381    HD2  LYS  52           HD2      LYS  52 -10.720   6.477  -6.254
  382    HD3  LYS  52           HD1      LYS  52 -10.789   5.270  -4.970
  383    HE2  LYS  52           HE2      LYS  52 -11.739   7.391  -4.224
  384    HE3  LYS  52           HE1      LYS  52 -10.249   7.063  -3.340
  385    HZ1  LYS  52           HZ1      LYS  52  -9.995   8.643  -5.784
  386    HZ2  LYS  52           HZ2      LYS  52  -9.189   8.806  -4.298
  387    HZ3  LYS  52           HZ3      LYS  52 -10.773   9.399  -4.475
  388    H    ASN  53           HN       ASN  53  -6.879   4.147  -8.997
  389    HA   ASN  53           HA       ASN  53  -6.949   1.225  -8.679
  390    HB2  ASN  53           HB2      ASN  53  -6.214   2.836 -11.115
  391    HB3  ASN  53           HB1      ASN  53  -5.686   1.156 -10.899
  392   HD21  ASN  53          HD21      ASN  53  -8.628   1.521  -9.361
  393   HD22  ASN  53          HD22      ASN  53  -9.629   0.891 -10.641
  394    H    TRP  54           HN       TRP  54  -5.194   0.245  -7.971
  395    HA   TRP  54           HA       TRP  54  -2.878   1.968  -7.454
  396    HB2  TRP  54           HB2      TRP  54  -4.568   0.411  -5.647
  397    HB3  TRP  54           HB1      TRP  54  -2.829   0.090  -5.450
  398    HD1  TRP  54           HD1      TRP  54  -5.026   3.323  -5.732
  399    HE1  TRP  54           HE1      TRP  54  -3.981   5.028  -4.099
  400    HE3  TRP  54           HE3      TRP  54  -1.192   0.500  -3.996
  401    HZ2  TRP  54           HZ2      TRP  54  -1.731   5.106  -2.361
  402    HZ3  TRP  54           HZ3      TRP  54   0.336   1.470  -2.365
  403    HH2  TRP  54           HH2      TRP  54   0.062   3.718  -1.544
  404    H    GLY  55           HN       GLY  55  -0.882   0.941  -6.972
  405    HA2  GLY  55           HA2      GLY  55  -0.640  -1.841  -7.701
  406    HA3  GLY  55           HA1      GLY  55   0.272  -0.734  -8.725
  407    H    ILE  56           HN       ILE  56   1.306  -2.724  -7.241
  408    HA   ILE  56           HA       ILE  56   3.121  -1.360  -5.337
  409    HB   ILE  56           HB       ILE  56   2.062  -4.212  -5.241
  410   HG12  ILE  56          HG12      ILE  56   1.735  -1.985  -3.219
  411   HG13  ILE  56          HG11      ILE  56   0.494  -2.420  -4.416
  412   HG21  ILE  56          HG21      ILE  56   4.161  -4.526  -4.414
  413   HG22  ILE  56          HG22      ILE  56   3.335  -4.024  -2.939
  414   HG23  ILE  56          HG23      ILE  56   4.306  -2.863  -3.842
  415   HD11  ILE  56          HD11      ILE  56   0.701  -4.783  -3.389
  416   HD12  ILE  56          HD12      ILE  56  -0.179  -3.534  -2.504
  417   HD13  ILE  56          HD13      ILE  56   1.470  -3.950  -2.036
  418    H    PHE  57           HN       PHE  57   4.937  -1.164  -6.512
  419    HA   PHE  57           HA       PHE  57   5.405  -3.154  -8.589
  420    HB2  PHE  57           HB2      PHE  57   6.665  -0.404  -8.333
  421    HB3  PHE  57           HB1      PHE  57   6.731  -1.480  -9.745
  422    HD1  PHE  57           HD1      PHE  57   4.321   0.437  -7.613
  423    HD2  PHE  57           HD2      PHE  57   5.127  -1.282 -11.424
  424    HE1  PHE  57           HE1      PHE  57   2.273   1.410  -8.467
  425    HE2  PHE  57           HE2      PHE  57   3.062  -0.263 -12.299
  426    HZ   PHE  57           HZ       PHE  57   1.638   1.092 -10.800
  427    H    VAL  58           HN       VAL  58   6.614  -4.769  -7.887
  428    HA   VAL  58           HA       VAL  58   8.982  -4.217  -6.258
  429    HB   VAL  58           HB       VAL  58   7.651  -6.849  -6.976
  430   HG11  VAL  58          HG11      VAL  58   9.289  -8.007  -5.880
  431   HG12  VAL  58          HG12      VAL  58   9.746  -6.626  -4.877
  432   HG13  VAL  58          HG13      VAL  58  10.257  -6.701  -6.565
  433   HG21  VAL  58          HG21      VAL  58   6.652  -6.809  -4.936
  434   HG22  VAL  58          HG22      VAL  58   6.766  -5.068  -5.196
  435   HG23  VAL  58          HG23      VAL  58   7.964  -5.890  -4.193
  436    H    ASN  59           HN       ASN  59  10.704  -3.681  -7.382
  437    HA   ASN  59           HA       ASN  59  12.375  -3.638  -8.915
  438    HB2  ASN  59           HB2      ASN  59  11.552  -6.516  -9.413
  439    HB3  ASN  59           HB1      ASN  59  13.044  -5.757 -10.016
  440   HD21  ASN  59          HD21      ASN  59  14.764  -6.173  -8.844
  441   HD22  ASN  59          HD22      ASN  59  14.795  -6.509  -7.148
  442    H    GLY  60           HN       GLY  60  10.256  -2.352  -9.793
  443    HA2  GLY  60           HA2      GLY  60   9.222  -1.539 -11.660
  444    HA3  GLY  60           HA1      GLY  60  10.502  -2.355 -12.585
  445    H    GLU  61           HN       GLU  61   7.933  -3.584 -10.514
  446    HA   GLU  61           HA       GLU  61   6.528  -4.766 -12.763
  447    HB2  GLU  61           HB2      GLU  61   8.222  -6.458 -12.249
  448    HB3  GLU  61           HB1      GLU  61   7.757  -6.433 -10.550
  449    HG2  GLU  61           HG2      GLU  61   5.552  -7.311 -11.141
  450    HG3  GLU  61           HG1      GLU  61   6.028  -7.348 -12.844
  451    H    LYS  62           HN       LYS  62   4.455  -4.253 -12.370
  452    HA   LYS  62           HA       LYS  62   3.514  -3.646  -9.728
  453    HB2  LYS  62           HB2      LYS  62   2.577  -2.561 -11.756
  454    HB3  LYS  62           HB1      LYS  62   1.939  -4.138 -12.277
  455    HG2  LYS  62           HG2      LYS  62   0.457  -4.214 -10.374
  456    HG3  LYS  62           HG1      LYS  62   1.160  -2.708  -9.731
  457    HD2  LYS  62           HD2      LYS  62  -0.934  -2.185 -10.781
  458    HD3  LYS  62           HD1      LYS  62   0.359  -1.538 -11.784
  459    HE2  LYS  62           HE2      LYS  62  -1.104  -4.131 -12.293
  460    HE3  LYS  62           HE1      LYS  62  -1.471  -2.598 -13.078
  461    HZ1  LYS  62           HZ1      LYS  62   0.031  -3.090 -14.606
  462    HZ2  LYS  62           HZ2      LYS  62   0.444  -4.529 -13.801
  463    HZ3  LYS  62           HZ3      LYS  62   1.254  -3.084 -13.430
  464    H    VAL  63           HN       VAL  63   3.658  -5.322  -8.395
  465    HA   VAL  63           HA       VAL  63   3.163  -7.981  -9.291
  466    HB   VAL  63           HB       VAL  63   5.029  -7.391  -7.882
  467   HG11  VAL  63          HG11      VAL  63   3.044  -7.002  -5.656
  468   HG12  VAL  63          HG12      VAL  63   3.927  -5.712  -6.472
  469   HG13  VAL  63          HG13      VAL  63   4.801  -6.916  -5.526
  470   HG21  VAL  63          HG21      VAL  63   3.427  -9.282  -6.241
  471   HG22  VAL  63          HG22      VAL  63   5.125  -9.352  -6.724
  472   HG23  VAL  63          HG23      VAL  63   3.857  -9.688  -7.906
  473    H    TYR  64           HN       TYR  64   1.461  -5.650  -7.318
  474    HA   TYR  64           HA       TYR  64  -0.839  -7.446  -7.300
  475    HB2  TYR  64           HB2      TYR  64   0.133  -7.680  -5.065
  476    HB3  TYR  64           HB1      TYR  64   0.080  -5.913  -4.862
  477    HD1  TYR  64           HD1      TYR  64  -2.485  -8.241  -6.261
  478    HD2  TYR  64           HD2      TYR  64  -1.464  -5.553  -3.122
  479    HE1  TYR  64           HE1      TYR  64  -4.770  -8.407  -5.375
  480    HE2  TYR  64           HE2      TYR  64  -3.738  -5.714  -2.235
  481    HH   TYR  64           HH       TYR  64  -5.737  -7.879  -2.630
  482    H    THR  65           HN       THR  65  -2.648  -6.463  -7.952
  483    HA   THR  65           HA       THR  65  -2.700  -3.535  -7.991
  484    HB   THR  65           HB       THR  65  -4.150  -5.403  -9.743
  485    HG1  THR  65           HG1      THR  65  -1.874  -5.200 -10.175
  486   HG21  THR  65          HG21      THR  65  -4.670  -3.400 -11.116
  487   HG22  THR  65          HG22      THR  65  -4.069  -2.415  -9.781
  488   HG23  THR  65          HG23      THR  65  -5.484  -3.444  -9.551
  489    H    PHE  66           HN       PHE  66  -3.920  -2.766  -6.375
  490    HA   PHE  66           HA       PHE  66  -6.506  -4.117  -5.931
  491    HB2  PHE  66           HB2      PHE  66  -6.531  -3.453  -3.623
  492    HB3  PHE  66           HB1      PHE  66  -5.067  -4.417  -3.964
  493    HD1  PHE  66           HD1      PHE  66  -3.015  -3.642  -3.200
  494    HD2  PHE  66           HD2      PHE  66  -6.229  -0.875  -3.599
  495    HE1  PHE  66           HE1      PHE  66  -1.684  -1.926  -2.040
  496    HE2  PHE  66           HE2      PHE  66  -4.900   0.844  -2.454
  497    HZ   PHE  66           HZ       PHE  66  -2.617   0.334  -1.672
  498    H    ASN  67           HN       ASN  67  -8.270  -2.738  -5.594
  499    HA   ASN  67           HA       ASN  67  -7.725   0.037  -6.365
  500    HB2  ASN  67           HB2      ASN  67  -9.936   0.029  -7.547
  501    HB3  ASN  67           HB1      ASN  67  -8.719  -1.015  -8.280
  502   HD21  ASN  67          HD21      ASN  67  -9.407  -2.921  -8.875
  503   HD22  ASN  67          HD22      ASN  67 -10.751  -3.776  -8.202
  504    H    GLU  68           HN       GLU  68  -8.806   1.608  -5.268
  505    HA   GLU  68           HA       GLU  68  -9.610   0.970  -2.640
  506    HB2  GLU  68           HB2      GLU  68 -10.054   3.530  -4.156
  507    HB3  GLU  68           HB1      GLU  68 -10.047   3.333  -2.415
  508    HG2  GLU  68           HG2      GLU  68  -7.662   2.600  -4.039
  509    HG3  GLU  68           HG1      GLU  68  -7.956   4.292  -3.572
  510    H    LYS  69           HN       LYS  69 -11.215   0.796  -5.515
  511    HA   LYS  69           HA       LYS  69 -13.925   1.324  -4.800
  512    HB2  LYS  69           HB2      LYS  69 -12.824  -0.758  -6.694
  513    HB3  LYS  69           HB1      LYS  69 -14.451  -0.047  -6.716
  514    HG2  LYS  69           HG2      LYS  69 -13.510   2.120  -7.303
  515    HG3  LYS  69           HG1      LYS  69 -11.876   1.424  -7.269
  516    HD2  LYS  69           HD2      LYS  69 -12.626   1.571  -9.561
  517    HD3  LYS  69           HD1      LYS  69 -12.527  -0.122  -9.091
  518    HE2  LYS  69           HE2      LYS  69 -15.064   1.516  -9.190
  519    HE3  LYS  69           HE1      LYS  69 -14.530   0.409 -10.449
  520    HZ1  LYS  69           HZ1      LYS  69 -15.776  -0.145  -7.888
  521    HZ2  LYS  69           HZ2      LYS  69 -14.505  -1.199  -8.305
  522    HZ3  LYS  69           HZ3      LYS  69 -15.839  -1.022  -9.342
  523    H    SER  70           HN       SER  70 -11.729  -1.398  -4.821
  524    HA   SER  70           HA       SER  70 -13.391  -3.202  -3.375
  525    HB2  SER  70           HB2      SER  70 -11.477  -3.990  -4.750
  526    HB3  SER  70           HB1      SER  70 -10.376  -3.155  -3.608
  527    HG   SER  70           HG       SER  70 -10.445  -5.135  -2.763
  528    H    THR  71           HN       THR  71 -13.820  -3.079  -1.254
  529    HA   THR  71           HA       THR  71 -13.136  -0.905   0.323
  530    HB   THR  71           HB       THR  71 -13.897  -2.283   2.197
  531    HG1  THR  71           HG1      THR  71 -14.232  -4.408   2.005
  532   HG21  THR  71          HG21      THR  71 -15.416  -1.423   0.106
  533   HG22  THR  71          HG22      THR  71 -16.043  -2.082   1.619
  534   HG23  THR  71          HG23      THR  71 -15.855  -3.129   0.211
  535    H    VAL  72           HN       VAL  72 -11.253  -0.342   1.299
  536    HA   VAL  72           HA       VAL  72  -8.945  -1.651   0.930
  537    HB   VAL  72           HB       VAL  72  -8.620  -0.093   3.316
  538   HG11  VAL  72          HG11      VAL  72  -7.157   1.159   1.893
  539   HG12  VAL  72          HG12      VAL  72  -7.879   0.456   0.447
  540   HG13  VAL  72          HG13      VAL  72  -6.956  -0.560   1.557
  541   HG21  VAL  72          HG21      VAL  72  -9.954   1.367   0.995
  542   HG22  VAL  72          HG22      VAL  72  -9.449   2.039   2.551
  543   HG23  VAL  72          HG23      VAL  72 -10.813   0.925   2.485
  544    H    GLY  73           HN       GLY  73 -11.351  -2.396   3.086
  545    HA2  GLY  73           HA2      GLY  73  -9.869  -3.859   5.052
  546    HA3  GLY  73           HA1      GLY  73 -11.584  -3.941   4.710
  547    H    ASN  74           HN       ASN  74 -11.952  -4.811   2.325
  548    HA   ASN  74           HA       ASN  74 -11.221  -7.548   2.352
  549    HB2  ASN  74           HB2      ASN  74 -13.248  -6.733   1.223
  550    HB3  ASN  74           HB1      ASN  74 -12.247  -5.840   0.064
  551   HD21  ASN  74          HD21      ASN  74 -12.061  -6.798  -1.813
  552   HD22  ASN  74          HD22      ASN  74 -12.064  -8.515  -2.093
  553    H    ILE  75           HN       ILE  75  -9.709  -4.714   1.157
  554    HA   ILE  75           HA       ILE  75  -7.883  -6.031  -0.661
  555    HB   ILE  75           HB       ILE  75  -7.674  -3.367   0.680
  556   HG12  ILE  75          HG12      ILE  75  -8.626  -4.030  -2.149
  557   HG13  ILE  75          HG11      ILE  75  -9.637  -3.467  -0.787
  558   HG21  ILE  75          HG21      ILE  75  -5.502  -3.953   0.055
  559   HG22  ILE  75          HG22      ILE  75  -6.079  -2.881  -1.220
  560   HG23  ILE  75          HG23      ILE  75  -6.041  -4.626  -1.482
  561   HD11  ILE  75          HD11      ILE  75  -8.142  -1.948  -2.677
  562   HD12  ILE  75          HD12      ILE  75  -7.542  -1.611  -1.053
  563   HD13  ILE  75          HD13      ILE  75  -9.253  -1.396  -1.425
  564    H    SER  76           HN       SER  76  -7.785  -4.936   2.708
  565    HA   SER  76           HA       SER  76  -5.077  -5.834   3.069
  566    HB2  SER  76           HB2      SER  76  -5.766  -4.002   4.419
  567    HB3  SER  76           HB1      SER  76  -7.192  -4.870   5.005
  568    HG   SER  76           HG       SER  76  -4.755  -6.105   5.499
  569    H    ASN  77           HN       ASN  77  -8.207  -7.224   3.264
  570    HA   ASN  77           HA       ASN  77  -7.503  -9.581   4.735
  571    HB2  ASN  77           HB2      ASN  77  -9.644  -9.088   2.651
  572    HB3  ASN  77           HB1      ASN  77  -9.439 -10.618   3.505
  573   HD21  ASN  77          HD21      ASN  77  -8.586  -8.342   5.681
  574   HD22  ASN  77          HD22      ASN  77 -10.117  -8.088   6.453
  575    H    ASP  78           HN       ASP  78  -6.783  -8.282   1.706
  576    HA   ASP  78           HA       ASP  78  -5.836 -10.806   0.608
  577    HB2  ASP  78           HB2      ASP  78  -6.055  -8.047  -0.589
  578    HB3  ASP  78           HB1      ASP  78  -5.210  -9.384  -1.406
  579    H    ILE  79           HN       ILE  79  -4.582  -7.603   1.531
  580    HA   ILE  79           HA       ILE  79  -2.002  -8.156   0.642
  581    HB   ILE  79           HB       ILE  79  -2.686  -6.125   2.800
  582   HG12  ILE  79          HG12      ILE  79  -2.636  -5.842  -0.224
  583   HG13  ILE  79          HG11      ILE  79  -4.105  -5.859   0.778
  584   HG21  ILE  79          HG21      ILE  79  -0.514  -5.924   0.729
  585   HG22  ILE  79          HG22      ILE  79  -0.240  -6.769   2.252
  586   HG23  ILE  79          HG23      ILE  79  -0.673  -5.058   2.256
  587   HD11  ILE  79          HD11      ILE  79  -3.586  -3.606   0.192
  588   HD12  ILE  79          HD12      ILE  79  -1.921  -3.788   0.750
  589   HD13  ILE  79          HD13      ILE  79  -3.249  -3.820   1.910
  590    H    ASN  80           HN       ASN  80  -3.468  -8.739   3.750
  591    HA   ASN  80           HA       ASN  80  -1.099  -9.390   5.145
  592    HB2  ASN  80           HB2      ASN  80  -3.987 -10.141   5.567
  593    HB3  ASN  80           HB1      ASN  80  -2.697 -10.636   6.646
  594   HD21  ASN  80          HD21      ASN  80  -2.517  -9.420   8.368
  595   HD22  ASN  80          HD22      ASN  80  -2.841  -7.713   8.457
  596    H    LYS  81           HN       LYS  81  -2.707 -10.905   2.600
  597    HA   LYS  81           HA       LYS  81  -1.818 -13.592   3.294
  598    HB2  LYS  81           HB2      LYS  81  -2.921 -12.964   0.601
  599    HB3  LYS  81           HB1      LYS  81  -3.176 -14.377   1.615
  600    HG2  LYS  81           HG2      LYS  81  -4.428 -11.665   1.899
  601    HG3  LYS  81           HG1      LYS  81  -5.218 -13.185   1.456
  602    HD2  LYS  81           HD2      LYS  81  -3.842 -12.756   4.094
  603    HD3  LYS  81           HD1      LYS  81  -5.547 -12.416   3.825
  604    HE2  LYS  81           HE2      LYS  81  -5.903 -14.768   3.205
  605    HE3  LYS  81           HE1      LYS  81  -4.186 -15.091   3.453
  606    HZ1  LYS  81           HZ1      LYS  81  -4.394 -14.693   5.758
  607    HZ2  LYS  81           HZ2      LYS  81  -5.687 -15.714   5.339
  608    HZ3  LYS  81           HZ3      LYS  81  -5.962 -14.058   5.598
  609    H    LEU  82           HN       LEU  82  -1.595 -11.342   0.597
  610    HA   LEU  82           HA       LEU  82   0.336 -12.530  -0.937
  611    HB2  LEU  82           HB2      LEU  82  -0.601  -9.730  -0.583
  612    HB3  LEU  82           HB1      LEU  82   0.722 -10.106  -1.704
  613    HG   LEU  82           HG       LEU  82  -1.551  -9.964  -2.723
  614   HD11  LEU  82          HD11      LEU  82   0.535 -11.728  -3.226
  615   HD12  LEU  82          HD12      LEU  82  -0.721 -11.219  -4.354
  616   HD13  LEU  82          HD13      LEU  82  -0.939 -12.682  -3.394
  617   HD21  LEU  82          HD21      LEU  82  -3.029 -11.909  -2.578
  618   HD22  LEU  82          HD22      LEU  82  -2.927 -11.007  -1.066
  619   HD23  LEU  82          HD23      LEU  82  -2.041 -12.523  -1.254
  620    H    ASN  83           HN       ASN  83   0.727 -10.736   1.977
  621    HA   ASN  83           HA       ASN  83   2.504  -9.667   2.975
  622    HB2  ASN  83           HB2      ASN  83   3.502 -12.468   2.502
  623    HB3  ASN  83           HB1      ASN  83   4.346 -11.300   3.525
  624   HD21  ASN  83          HD21      ASN  83   3.833 -11.269   5.570
  625   HD22  ASN  83          HD22      ASN  83   2.376 -11.905   6.270
  626    H    ILE  84           HN       ILE  84   2.828  -8.245   1.052
  627    HA   ILE  84           HA       ILE  84   5.136  -8.886  -0.532
  628    HB   ILE  84           HB       ILE  84   3.492  -6.373  -0.543
  629   HG12  ILE  84          HG12      ILE  84   3.356  -8.834  -2.310
  630   HG13  ILE  84          HG11      ILE  84   2.145  -8.353  -1.097
  631   HG21  ILE  84          HG21      ILE  84   5.589  -7.441  -2.415
  632   HG22  ILE  84          HG22      ILE  84   5.594  -5.907  -1.545
  633   HG23  ILE  84          HG23      ILE  84   4.455  -6.168  -2.867
  634   HD11  ILE  84          HD11      ILE  84   2.845  -6.484  -3.310
  635   HD12  ILE  84          HD12      ILE  84   1.342  -6.646  -2.400
  636   HD13  ILE  84          HD13      ILE  84   1.771  -7.847  -3.619
  637    H    LYS  85           HN       LYS  85   6.956  -8.841   0.643
  638    HA   LYS  85           HA       LYS  85   7.712  -6.252   1.755
  639    HB2  LYS  85           HB2      LYS  85   8.900  -7.679   3.617
  640    HB3  LYS  85           HB1      LYS  85   7.232  -7.189   3.770
  641    HG2  LYS  85           HG2      LYS  85   7.456  -9.472   4.480
  642    HG3  LYS  85           HG1      LYS  85   6.493  -9.403   3.014
  643    HD2  LYS  85           HD2      LYS  85   7.921 -11.296   2.848
  644    HD3  LYS  85           HD1      LYS  85   8.548 -10.077   1.741
  645    HE2  LYS  85           HE2      LYS  85  10.308  -9.504   3.301
  646    HE3  LYS  85           HE1      LYS  85   9.627 -10.582   4.520
  647    HZ1  LYS  85           HZ1      LYS  85  11.603 -11.278   2.926
  648    HZ2  LYS  85           HZ2      LYS  85  10.310 -11.742   1.929
  649    HZ3  LYS  85           HZ3      LYS  85  10.457 -12.399   3.489
  650    H    GLY  86           HN       GLY  86   9.081  -5.738   0.157
  651    HA2  GLY  86           HA2      GLY  86  11.116  -5.608  -0.899
  652    HA3  GLY  86           HA1      GLY  86  11.711  -6.844   0.229
  653    HA   PRO  87           HA       PRO  87  12.954  -5.914  -1.770
  654    HB2  PRO  87           HB2      PRO  87  14.218  -6.050  -4.122
  655    HB3  PRO  87           HB1      PRO  87  14.476  -7.244  -2.853
  656    HG2  PRO  87           HG2      PRO  87  12.989  -7.463  -5.393
  657    HG3  PRO  87           HG1      PRO  87  13.810  -8.727  -4.463
  658    HD2  PRO  87           HD2      PRO  87  11.017  -8.087  -4.488
  659    HD3  PRO  87           HD1      PRO  87  11.849  -9.312  -3.484
  660    H    TYR  88           HN       TYR  88  13.634  -4.013  -3.324
  661    HA   TYR  88           HA       TYR  88  12.545  -1.899  -3.608
  662    HB2  TYR  88           HB2      TYR  88  12.720  -3.259  -6.311
  663    HB3  TYR  88           HB1      TYR  88  12.669  -1.488  -6.021
  664    HD1  TYR  88           HD1      TYR  88  14.664  -0.334  -5.855
  665    HD2  TYR  88           HD2      TYR  88  14.676  -4.528  -5.182
  666    HE1  TYR  88           HE1      TYR  88  17.119  -0.302  -5.741
  667    HE2  TYR  88           HE2      TYR  88  17.130  -4.510  -5.044
  668    HH   TYR  88           HH       TYR  88  18.927  -2.410  -4.386
  669    H    ILE  89           HN       ILE  89  10.493  -1.718  -2.772
  670    HA   ILE  89           HA       ILE  89   8.283  -2.530  -4.544
  671    HB   ILE  89           HB       ILE  89   8.245  -1.983  -1.563
  672   HG12  ILE  89          HG12      ILE  89   7.918  -4.550  -3.163
  673   HG13  ILE  89          HG11      ILE  89   9.389  -4.139  -2.243
  674   HG21  ILE  89          HG21      ILE  89   6.014  -2.113  -1.594
  675   HG22  ILE  89          HG22      ILE  89   6.003  -3.378  -2.822
  676   HG23  ILE  89          HG23      ILE  89   6.171  -1.689  -3.299
  677   HD11  ILE  89          HD11      ILE  89   6.624  -4.566  -1.101
  678   HD12  ILE  89          HD12      ILE  89   8.082  -4.188  -0.183
  679   HD13  ILE  89          HD13      ILE  89   7.962  -5.717  -1.059
  680    H    GLU  90           HN       GLU  90   6.912  -1.133  -5.304
  681    HA   GLU  90           HA       GLU  90   7.032   1.667  -4.391
  682    HB2  GLU  90           HB2      GLU  90   6.587   0.652  -7.215
  683    HB3  GLU  90           HB1      GLU  90   6.498   2.350  -6.709
  684    HG2  GLU  90           HG2      GLU  90   8.972   0.648  -6.463
  685    HG3  GLU  90           HG1      GLU  90   8.619   1.680  -7.847
  686    H    ILE  91           HN       ILE  91   5.233   1.338  -3.004
  687    HA   ILE  91           HA       ILE  91   2.743   0.382  -4.202
  688    HB   ILE  91           HB       ILE  91   3.018   1.260  -1.341
  689   HG12  ILE  91          HG12      ILE  91   3.824  -1.435  -2.427
  690   HG13  ILE  91          HG11      ILE  91   4.924  -0.235  -1.757
  691   HG21  ILE  91          HG21      ILE  91   0.986   0.361  -1.164
  692   HG22  ILE  91          HG22      ILE  91   1.632  -1.191  -1.689
  693   HG23  ILE  91          HG23      ILE  91   1.027  -0.050  -2.885
  694   HD11  ILE  91          HD11      ILE  91   2.685  -1.030  -0.021
  695   HD12  ILE  91          HD12      ILE  91   4.386  -0.751   0.369
  696   HD13  ILE  91          HD13      ILE  91   3.887  -2.279  -0.355
  697    H    LYS  92           HN       LYS  92   1.624   1.987  -5.286
  698    HA   LYS  92           HA       LYS  92   0.756   4.309  -3.882
  699    HB2  LYS  92           HB2      LYS  92   1.912   6.020  -4.882
  700    HB3  LYS  92           HB1      LYS  92   3.177   4.788  -4.916
  701    HG2  LYS  92           HG2      LYS  92   1.343   5.495  -7.203
  702    HG3  LYS  92           HG1      LYS  92   3.003   6.043  -7.014
  703    HD2  LYS  92           HD2      LYS  92   3.814   3.766  -7.277
  704    HD3  LYS  92           HD1      LYS  92   2.152   3.164  -7.307
  705    HE2  LYS  92           HE2      LYS  92   1.725   4.034  -9.420
  706    HE3  LYS  92           HE1      LYS  92   2.965   5.267  -9.243
  707    HZ1  LYS  92           HZ1      LYS  92   3.714   3.715 -10.839
  708    HZ2  LYS  92           HZ2      LYS  92   3.420   2.411  -9.806
  709    HZ3  LYS  92           HZ3      LYS  92   4.659   3.507  -9.442
  710    H    GLN  93           HN       GLN  93  -0.568   5.755  -5.516
  711    HA   GLN  93           HA       GLN  93  -2.149   3.905  -7.062
  712    HB2  GLN  93           HB2      GLN  93  -3.618   5.764  -7.584
  713    HB3  GLN  93           HB1      GLN  93  -3.392   5.553  -5.842
  714    HG2  GLN  93           HG2      GLN  93  -1.730   7.347  -5.875
  715    HG3  GLN  93           HG1      GLN  93  -2.062   7.613  -7.583
  716   HE21  GLN  93          HE21      GLN  93  -2.684   8.808  -4.648
  717   HE22  GLN  93          HE22      GLN  93  -4.239   9.514  -4.920
  718    H    ILE  94           HN       ILE  94  -2.827   4.464  -9.225
  719    HA   ILE  94           HA       ILE  94  -0.580   5.480 -10.827
  720    HB   ILE  94           HB       ILE  94  -1.091   3.561 -12.337
  721   HG12  ILE  94          HG12      ILE  94  -2.683   2.731  -9.905
  722   HG13  ILE  94          HG11      ILE  94  -3.302   3.063 -11.520
  723   HG21  ILE  94          HG21      ILE  94   0.778   2.849 -11.357
  724   HG22  ILE  94          HG22      ILE  94  -0.242   1.950 -10.230
  725   HG23  ILE  94          HG23      ILE  94   0.311   3.576  -9.818
  726   HD11  ILE  94          HD11      ILE  94  -1.306   1.024 -11.622
  727   HD12  ILE  94          HD12      ILE  94  -3.001   0.965 -12.112
  728   HD13  ILE  94          HD13      ILE  94  -2.551   0.625 -10.440
  Start of MODEL    9
    1    H    ASP   1           HT1      ASP   1  19.456   3.315  -9.289
    2    HA   ASP   1           HA       ASP   1  20.964   3.008  -6.797
    3    HB2  ASP   1           HB2      ASP   1  18.872   4.943  -7.824
    4    HB3  ASP   1           HB1      ASP   1  19.591   5.026  -6.218
    5    H    ASN   2           HN       ASN   2  19.448   3.319  -4.827
    6    HA   ASN   2           HA       ASN   2  18.000   2.344  -3.387
    7    HB2  ASN   2           HB2      ASN   2  16.292   1.938  -5.855
    8    HB3  ASN   2           HB1      ASN   2  15.748   1.703  -4.196
    9   HD21  ASN   2          HD21      ASN   2  15.696   3.794  -6.689
   10   HD22  ASN   2          HD22      ASN   2  15.470   5.278  -5.828
   11    H    GLN   3           HN       GLN   3  20.038   0.818  -3.876
   12    HA   GLN   3           HA       GLN   3  19.559  -1.713  -5.023
   13    HB2  GLN   3           HB2      GLN   3  21.546  -0.946  -2.878
   14    HB3  GLN   3           HB1      GLN   3  21.592  -2.417  -3.839
   15    HG2  GLN   3           HG2      GLN   3  21.863   0.387  -4.904
   16    HG3  GLN   3           HG1      GLN   3  23.183  -0.751  -4.643
   17   HE21  GLN   3          HE21      GLN   3  23.856  -1.678  -6.423
   18   HE22  GLN   3          HE22      GLN   3  22.890  -2.079  -7.802
   19    H    LYS   4           HN       LYS   4  19.227  -0.499  -1.715
   20    HA   LYS   4           HA       LYS   4  18.168  -3.094  -0.878
   21    HB2  LYS   4           HB2      LYS   4  18.085  -2.137   1.387
   22    HB3  LYS   4           HB1      LYS   4  19.694  -2.028   0.689
   23    HG2  LYS   4           HG2      LYS   4  19.265   0.340   0.144
   24    HG3  LYS   4           HG1      LYS   4  17.694   0.209   0.936
   25    HD2  LYS   4           HD2      LYS   4  20.373  -0.241   2.253
   26    HD3  LYS   4           HD1      LYS   4  19.380   1.208   2.414
   27    HE2  LYS   4           HE2      LYS   4  17.601  -0.140   3.440
   28    HE3  LYS   4           HE1      LYS   4  18.605  -1.581   3.281
   29    HZ1  LYS   4           HZ1      LYS   4  18.583  -0.385   5.519
   30    HZ2  LYS   4           HZ2      LYS   4  19.551   0.795   4.774
   31    HZ3  LYS   4           HZ3      LYS   4  20.096  -0.811   4.877
   32    H    ALA   5           HN       ALA   5  17.208  -0.087  -2.042
   33    HA   ALA   5           HA       ALA   5  15.243   0.780  -2.699
   34    HB1  ALA   5           HB1      ALA   5  14.393  -0.953  -3.812
   35    HB2  ALA   5           HB2      ALA   5  13.274  -1.070  -2.454
   36    HB3  ALA   5           HB3      ALA   5  14.716  -2.086  -2.499
   37    H    LEU   6           HN       LEU   6  14.384  -1.288   0.074
   38    HA   LEU   6           HA       LEU   6  12.265   0.355   0.884
   39    HB2  LEU   6           HB2      LEU   6  12.362  -1.016   3.005
   40    HB3  LEU   6           HB1      LEU   6  12.128  -1.884   1.502
   41    HG   LEU   6           HG       LEU   6  14.537  -2.518   1.532
   42   HD11  LEU   6          HD11      LEU   6  15.934  -1.389   2.827
   43   HD12  LEU   6          HD12      LEU   6  15.225  -2.235   4.202
   44   HD13  LEU   6          HD13      LEU   6  14.611  -0.650   3.730
   45   HD21  LEU   6          HD21      LEU   6  12.623  -3.308   3.666
   46   HD22  LEU   6          HD22      LEU   6  14.264  -3.955   3.701
   47   HD23  LEU   6          HD23      LEU   6  13.236  -4.232   2.295
   48    H    GLU   7           HN       GLU   7  15.396   1.206   1.042
   49    HA   GLU   7           HA       GLU   7  15.733   2.232   3.645
   50    HB2  GLU   7           HB2      GLU   7  17.495   3.644   2.628
   51    HB3  GLU   7           HB1      GLU   7  17.628   1.948   2.193
   52    HG2  GLU   7           HG2      GLU   7  16.608   2.424   0.022
   53    HG3  GLU   7           HG1      GLU   7  16.478   4.126   0.462
   54    H    GLU   8           HN       GLU   8  13.365   3.076   1.606
   55    HA   GLU   8           HA       GLU   8  13.457   5.944   2.213
   56    HB2  GLU   8           HB2      GLU   8  11.581   6.144   0.593
   57    HB3  GLU   8           HB1      GLU   8  13.053   5.497  -0.112
   58    HG2  GLU   8           HG2      GLU   8  12.149   3.273  -0.100
   59    HG3  GLU   8           HG1      GLU   8  10.718   3.818   0.776
   60    H    GLN   9           HN       GLN   9  12.386   3.258   3.624
   61    HA   GLN   9           HA       GLN   9   9.709   3.561   4.307
   62    HB2  GLN   9           HB2      GLN   9  10.324   2.136   6.264
   63    HB3  GLN   9           HB1      GLN   9  10.926   1.535   4.719
   64    HG2  GLN   9           HG2      GLN   9  13.090   2.727   5.255
   65    HG3  GLN   9           HG1      GLN   9  12.456   2.940   6.885
   66   HE21  GLN   9          HE21      GLN   9  14.123   0.986   4.787
   67   HE22  GLN   9          HE22      GLN   9  14.189  -0.453   5.769
   68    H    MET  10           HN       MET  10  11.716   5.929   4.808
   69    HA   MET  10           HA       MET  10  11.113   6.653   7.552
   70    HB2  MET  10           HB2      MET  10  12.369   8.250   5.301
   71    HB3  MET  10           HB1      MET  10  12.236   8.788   6.971
   72    HG2  MET  10           HG2      MET  10  13.661   6.968   7.701
   73    HG3  MET  10           HG1      MET  10  13.757   6.357   6.051
   74    HE1  MET  10           HE1      MET  10  14.130   9.222   4.377
   75    HE2  MET  10           HE2      MET  10  14.798   7.612   4.093
   76    HE3  MET  10           HE3      MET  10  15.873   9.005   4.217
   77    H    ASN  11           HN       ASN  11  10.245   7.659   4.295
   78    HA   ASN  11           HA       ASN  11   7.743   8.757   5.376
   79    HB2  ASN  11           HB2      ASN  11   7.402   9.463   2.897
   80    HB3  ASN  11           HB1      ASN  11   8.417  10.463   3.954
   81   HD21  ASN  11          HD21      ASN  11  10.251  11.079   3.080
   82   HD22  ASN  11          HD22      ASN  11  11.121  10.265   1.827
   83    H    SER  12           HN       SER  12   9.021   6.929   2.691
   84    HA   SER  12           HA       SER  12   7.205   5.963   1.254
   85    HB2  SER  12           HB2      SER  12   9.444   5.018   1.267
   86    HB3  SER  12           HB1      SER  12   9.099   4.162   2.785
   87    HG   SER  12           HG       SER  12   8.674   3.361   0.262
   88    H    ILE  13           HN       ILE  13   7.721   4.000   4.121
   89    HA   ILE  13           HA       ILE  13   5.316   2.559   3.702
   90    HB   ILE  13           HB       ILE  13   7.340   2.518   5.944
   91   HG12  ILE  13          HG12      ILE  13   8.210   2.127   3.711
   92   HG13  ILE  13          HG11      ILE  13   8.337   0.671   4.731
   93   HG21  ILE  13          HG21      ILE  13   6.259   0.815   6.938
   94   HG22  ILE  13          HG22      ILE  13   5.929   0.025   5.396
   95   HG23  ILE  13          HG23      ILE  13   4.858   1.299   5.981
   96   HD11  ILE  13          HD11      ILE  13   6.058   0.070   3.588
   97   HD12  ILE  13          HD12      ILE  13   7.584  -0.212   2.750
   98   HD13  ILE  13          HD13      ILE  13   6.610   1.205   2.356
   99    H    ASN  14           HN       ASN  14   5.953   5.401   5.254
  100    HA   ASN  14           HA       ASN  14   3.657   5.137   7.081
  101    HB2  ASN  14           HB2      ASN  14   5.673   7.370   6.794
  102    HB3  ASN  14           HB1      ASN  14   4.278   7.421   7.870
  103   HD21  ASN  14          HD21      ASN  14   7.485   6.821   7.760
  104   HD22  ASN  14          HD22      ASN  14   7.636   5.773   9.127
  105    H    SER  15           HN       SER  15   4.834   7.254   4.475
  106    HA   SER  15           HA       SER  15   2.441   8.697   4.215
  107    HB2  SER  15           HB2      SER  15   3.343   9.511   2.086
  108    HB3  SER  15           HB1      SER  15   4.531   9.617   3.389
  109    HG   SER  15           HG       SER  15   5.026   8.569   1.136
  110    H    VAL  16           HN       VAL  16   3.544   5.666   2.840
  111    HA   VAL  16           HA       VAL  16   1.795   5.295   0.695
  112    HB   VAL  16           HB       VAL  16   3.567   3.665   1.331
  113   HG11  VAL  16          HG11      VAL  16   1.815   3.277   3.691
  114   HG12  VAL  16          HG12      VAL  16   3.572   3.403   3.588
  115   HG13  VAL  16          HG13      VAL  16   2.761   1.925   3.070
  116   HG21  VAL  16          HG21      VAL  16   0.753   2.640   1.039
  117   HG22  VAL  16          HG22      VAL  16   2.148   1.561   1.074
  118   HG23  VAL  16          HG23      VAL  16   2.014   2.778  -0.195
  119    H    ASN  17           HN       ASN  17   1.250   5.331   4.055
  120    HA   ASN  17           HA       ASN  17  -1.407   4.185   3.925
  121    HB2  ASN  17           HB2      ASN  17   0.114   5.450   6.211
  122    HB3  ASN  17           HB1      ASN  17  -1.477   4.709   6.358
  123   HD21  ASN  17          HD21      ASN  17  -0.116   2.910   4.091
  124   HD22  ASN  17          HD22      ASN  17   0.659   1.697   5.039
  125    H    ASP  18           HN       ASP  18   0.066   7.333   4.053
  126    HA   ASP  18           HA       ASP  18  -2.189   8.865   4.728
  127    HB2  ASP  18           HB2      ASP  18   0.337   9.431   3.184
  128    HB3  ASP  18           HB1      ASP  18  -0.862  10.665   3.462
  129    H    LYS  19           HN       LYS  19  -1.545   7.096   1.849
  130    HA   LYS  19           HA       LYS  19  -3.341   8.782   0.241
  131    HB2  LYS  19           HB2      LYS  19  -2.103   6.139  -0.561
  132    HB3  LYS  19           HB1      LYS  19  -2.969   7.262  -1.614
  133    HG2  LYS  19           HG2      LYS  19  -0.747   7.630  -2.136
  134    HG3  LYS  19           HG1      LYS  19  -1.104   8.934  -0.978
  135    HD2  LYS  19           HD2      LYS  19  -0.213   7.559   0.829
  136    HD3  LYS  19           HD1      LYS  19   0.139   6.287  -0.338
  137    HE2  LYS  19           HE2      LYS  19   1.316   9.046  -0.321
  138    HE3  LYS  19           HE1      LYS  19   2.110   7.583   0.292
  139    HZ1  LYS  19           HZ1      LYS  19   1.146   7.630  -2.502
  140    HZ2  LYS  19           HZ2      LYS  19   2.460   6.787  -1.820
  141    HZ3  LYS  19           HZ3      LYS  19   2.584   8.454  -2.121
  142    H    LEU  20           HN       LEU  20  -2.996   5.670   1.654
  143    HA   LEU  20           HA       LEU  20  -5.428   4.556   0.811
  144    HB2  LEU  20           HB2      LEU  20  -3.644   3.952   3.159
  145    HB3  LEU  20           HB1      LEU  20  -4.860   2.860   2.504
  146    HG   LEU  20           HG       LEU  20  -2.475   3.847   0.931
  147   HD11  LEU  20          HD11      LEU  20  -2.455   1.041   1.567
  148   HD12  LEU  20          HD12      LEU  20  -2.448   2.022   3.033
  149   HD13  LEU  20          HD13      LEU  20  -1.204   2.260   1.806
  150   HD21  LEU  20          HD21      LEU  20  -4.694   3.011  -0.158
  151   HD22  LEU  20          HD22      LEU  20  -4.094   1.419   0.308
  152   HD23  LEU  20          HD23      LEU  20  -3.138   2.443  -0.765
  153    H    ASN  21           HN       ASN  21  -4.348   6.182   3.716
  154    HA   ASN  21           HA       ASN  21  -6.798   5.940   5.138
  155    HB2  ASN  21           HB2      ASN  21  -4.257   7.499   5.550
  156    HB3  ASN  21           HB1      ASN  21  -5.651   7.779   6.592
  157   HD21  ASN  21          HD21      ASN  21  -2.824   6.215   6.427
  158   HD22  ASN  21          HD22      ASN  21  -3.162   4.845   7.449
  159    H    LYS  22           HN       LYS  22  -8.556   6.906   4.123
  160    HA   LYS  22           HA       LYS  22  -8.083   9.681   3.192
  161    HB2  LYS  22           HB2      LYS  22  -9.966   7.621   2.052
  162    HB3  LYS  22           HB1      LYS  22  -9.749   9.269   1.447
  163    HG2  LYS  22           HG2      LYS  22  -7.437   8.780   0.905
  164    HG3  LYS  22           HG1      LYS  22  -7.605   7.141   1.529
  165    HD2  LYS  22           HD2      LYS  22  -7.860   6.954  -0.807
  166    HD3  LYS  22           HD1      LYS  22  -9.490   6.872  -0.152
  167    HE2  LYS  22           HE2      LYS  22  -9.894   9.174  -0.704
  168    HE3  LYS  22           HE1      LYS  22  -8.220   9.385  -1.216
  169    HZ1  LYS  22           HZ1      LYS  22  -8.629   8.480  -3.192
  170    HZ2  LYS  22           HZ2      LYS  22 -10.264   8.764  -2.850
  171    HZ3  LYS  22           HZ3      LYS  22  -9.583   7.228  -2.554
  172    H    GLY  23           HN       GLY  23 -10.612   7.586   4.544
  173    HA2  GLY  23           HA2      GLY  23 -11.762   9.322   6.278
  174    HA3  GLY  23           HA1      GLY  23 -12.446   9.738   4.697
  175    H    LYS  24           HN       LYS  24 -13.454   7.919   3.469
  176    HA   LYS  24           HA       LYS  24 -15.363   6.524   5.018
  177    HB2  LYS  24           HB2      LYS  24 -15.512   7.037   2.526
  178    HB3  LYS  24           HB1      LYS  24 -14.368   5.700   2.266
  179    HG2  LYS  24           HG2      LYS  24 -16.591   4.924   1.839
  180    HG3  LYS  24           HG1      LYS  24 -16.006   4.165   3.326
  181    HD2  LYS  24           HD2      LYS  24 -17.327   5.624   4.678
  182    HD3  LYS  24           HD1      LYS  24 -17.717   6.653   3.300
  183    HE2  LYS  24           HE2      LYS  24 -19.603   5.223   3.923
  184    HE3  LYS  24           HE1      LYS  24 -19.020   4.862   2.299
  185    HZ1  LYS  24           HZ1      LYS  24 -18.184   2.838   2.952
  186    HZ2  LYS  24           HZ2      LYS  24 -19.547   2.954   3.963
  187    HZ3  LYS  24           HZ3      LYS  24 -18.007   3.299   4.574
  188    H    GLY  25           HN       GLY  25 -12.744   5.112   3.067
  189    HA2  GLY  25           HA2      GLY  25 -12.148   3.365   5.310
  190    HA3  GLY  25           HA1      GLY  25 -12.235   2.711   3.702
  191    H    LYS  26           HN       LYS  26 -10.062   2.549   5.417
  192    HA   LYS  26           HA       LYS  26  -8.052   4.075   3.947
  193    HB2  LYS  26           HB2      LYS  26  -7.156   4.596   6.263
  194    HB3  LYS  26           HB1      LYS  26  -8.600   5.473   5.746
  195    HG2  LYS  26           HG2      LYS  26  -9.883   3.598   6.854
  196    HG3  LYS  26           HG1      LYS  26  -8.358   3.179   7.649
  197    HD2  LYS  26           HD2      LYS  26  -9.496   4.621   9.161
  198    HD3  LYS  26           HD1      LYS  26  -8.256   5.621   8.391
  199    HE2  LYS  26           HE2      LYS  26 -10.056   6.295   6.719
  200    HE3  LYS  26           HE1      LYS  26 -11.208   5.534   7.812
  201    HZ1  LYS  26           HZ1      LYS  26  -9.698   8.010   8.163
  202    HZ2  LYS  26           HZ2      LYS  26  -9.978   7.075   9.554
  203    HZ3  LYS  26           HZ3      LYS  26 -11.288   7.634   8.629
  204    H    LEU  27           HN       LEU  27  -5.865   3.304   4.356
  205    HA   LEU  27           HA       LEU  27  -5.733   0.588   5.432
  206    HB2  LEU  27           HB2      LEU  27  -6.082   0.230   3.154
  207    HB3  LEU  27           HB1      LEU  27  -4.899   1.469   2.691
  208    HG   LEU  27           HG       LEU  27  -3.094   0.065   3.539
  209   HD11  LEU  27          HD11      LEU  27  -3.680  -1.402   5.143
  210   HD12  LEU  27          HD12      LEU  27  -4.066  -2.469   3.792
  211   HD13  LEU  27          HD13      LEU  27  -5.341  -1.525   4.563
  212   HD21  LEU  27          HD21      LEU  27  -3.305  -1.781   1.851
  213   HD22  LEU  27          HD22      LEU  27  -3.594  -0.160   1.220
  214   HD23  LEU  27          HD23      LEU  27  -4.954  -1.232   1.552
  215    H    SER  28           HN       SER  28  -3.871  -0.026   6.303
  216    HA   SER  28           HA       SER  28  -1.652   1.896   6.484
  217    HB2  SER  28           HB2      SER  28  -2.838   0.162   8.670
  218    HB3  SER  28           HB1      SER  28  -1.448   1.231   8.865
  219    HG   SER  28           HG       SER  28  -4.101   1.825   8.953
  220    H    LEU  29           HN       LEU  29   0.423   0.910   6.788
  221    HA   LEU  29           HA       LEU  29   0.497  -1.996   6.606
  222    HB2  LEU  29           HB2      LEU  29   2.206  -0.295   4.798
  223    HB3  LEU  29           HB1      LEU  29   2.031  -2.066   4.822
  224    HG   LEU  29           HG       LEU  29  -0.270  -0.250   4.145
  225   HD11  LEU  29          HD11      LEU  29   0.884  -1.599   1.875
  226   HD12  LEU  29          HD12      LEU  29   2.078  -0.545   2.631
  227   HD13  LEU  29          HD13      LEU  29   0.535   0.115   2.090
  228   HD21  LEU  29          HD21      LEU  29   0.180  -3.107   4.365
  229   HD22  LEU  29          HD22      LEU  29  -0.469  -2.644   2.792
  230   HD23  LEU  29          HD23      LEU  29  -1.331  -2.202   4.266
  231    H    SER  30           HN       SER  30   2.116  -2.853   7.764
  232    HA   SER  30           HA       SER  30   4.368  -1.169   8.564
  233    HB2  SER  30           HB2      SER  30   2.754  -2.879  10.486
  234    HB3  SER  30           HB1      SER  30   4.222  -1.984  10.884
  235    HG   SER  30           HG       SER  30   3.065  -0.055  10.296
  236    H    MET  31           HN       MET  31   5.809  -2.928  10.027
  237    HA   MET  31           HA       MET  31   5.739  -5.516   8.724
  238    HB2  MET  31           HB2      MET  31   8.051  -5.424   7.955
  239    HB3  MET  31           HB1      MET  31   7.049  -4.196   7.147
  240    HG2  MET  31           HG2      MET  31   7.943  -2.512   8.748
  241    HG3  MET  31           HG1      MET  31   9.035  -3.747   9.373
  242    HE1  MET  31           HE1      MET  31  10.252  -5.261   7.760
  243    HE2  MET  31           HE2      MET  31  11.463  -4.519   6.714
  244    HE3  MET  31           HE3      MET  31   9.937  -5.083   6.034
  245    H    ASN  32           HN       ASN  32   7.449  -6.965   9.626
  246    HA   ASN  32           HA       ASN  32   8.414  -6.180  12.271
  247    HB2  ASN  32           HB2      ASN  32   6.151  -7.244  12.565
  248    HB3  ASN  32           HB1      ASN  32   6.798  -8.711  11.812
  249   HD21  ASN  32          HD21      ASN  32   9.216  -7.233  13.587
  250   HD22  ASN  32          HD22      ASN  32   9.059  -8.158  15.052
  251    H    GLY  33           HN       GLY  33  10.500  -6.281  11.356
  252    HA2  GLY  33           HA2      GLY  33  12.511  -7.419  10.929
  253    HA3  GLY  33           HA1      GLY  33  11.629  -8.957  11.104
  254    H    ASN  34           HN       ASN  34  10.939 -10.004   9.314
  255    HA   ASN  34           HA       ASN  34  11.234  -8.612   6.721
  256    HB2  ASN  34           HB2      ASN  34  11.466 -11.570   7.327
  257    HB3  ASN  34           HB1      ASN  34  11.410 -10.899   5.703
  258   HD21  ASN  34          HD21      ASN  34  13.020  -8.648   7.412
  259   HD22  ASN  34          HD22      ASN  34  14.653  -9.209   7.188
  260    H    GLN  35           HN       GLN  35   8.997  -8.624   8.607
  261    HA   GLN  35           HA       GLN  35   6.966 -10.221   7.267
  262    HB2  GLN  35           HB2      GLN  35   7.081  -8.765   9.869
  263    HB3  GLN  35           HB1      GLN  35   5.529  -9.188   9.171
  264    HG2  GLN  35           HG2      GLN  35   7.749 -11.108   9.852
  265    HG3  GLN  35           HG1      GLN  35   6.276 -10.846  10.788
  266   HE21  GLN  35          HE21      GLN  35   7.671 -12.908   8.726
  267   HE22  GLN  35          HE22      GLN  35   6.263 -13.576   7.956
  268    H    LEU  36           HN       LEU  36   4.826  -9.296   6.961
  269    HA   LEU  36           HA       LEU  36   4.817  -6.445   6.314
  270    HB2  LEU  36           HB2      LEU  36   5.224  -7.574   4.249
  271    HB3  LEU  36           HB1      LEU  36   3.876  -8.686   4.519
  272    HG   LEU  36           HG       LEU  36   3.488  -6.914   2.775
  273   HD11  LEU  36          HD11      LEU  36   1.311  -6.074   4.228
  274   HD12  LEU  36          HD12      LEU  36   1.740  -7.600   5.002
  275   HD13  LEU  36          HD13      LEU  36   1.410  -7.551   3.271
  276   HD21  LEU  36          HD21      LEU  36   4.629  -5.057   3.794
  277   HD22  LEU  36          HD22      LEU  36   3.514  -5.075   5.163
  278   HD23  LEU  36          HD23      LEU  36   2.930  -4.650   3.554
  279    H    LYS  37           HN       LYS  37   3.209  -5.481   7.288
  280    HA   LYS  37           HA       LYS  37   0.979  -7.133   8.282
  281    HB2  LYS  37           HB2      LYS  37   2.400  -4.894   9.748
  282    HB3  LYS  37           HB1      LYS  37   1.245  -6.056  10.427
  283    HG2  LYS  37           HG2      LYS  37   3.961  -6.793   9.315
  284    HG3  LYS  37           HG1      LYS  37   3.648  -6.463  11.029
  285    HD2  LYS  37           HD2      LYS  37   2.429  -8.674   9.369
  286    HD3  LYS  37           HD1      LYS  37   3.699  -8.862  10.567
  287    HE2  LYS  37           HE2      LYS  37   0.845  -8.012  11.077
  288    HE3  LYS  37           HE1      LYS  37   1.590  -9.547  11.510
  289    HZ1  LYS  37           HZ1      LYS  37   3.041  -7.312  12.567
  290    HZ2  LYS  37           HZ2      LYS  37   2.430  -8.682  13.364
  291    HZ3  LYS  37           HZ3      LYS  37   1.430  -7.334  13.102
  292    H    ALA  38           HN       ALA  38  -0.693  -6.364   7.062
  293    HA   ALA  38           HA       ALA  38  -1.032  -3.473   6.751
  294    HB1  ALA  38           HB1      ALA  38  -3.086  -4.688   5.383
  295    HB2  ALA  38           HB2      ALA  38  -1.753  -5.833   5.211
  296    HB3  ALA  38           HB3      ALA  38  -1.549  -4.158   4.694
  297    H    THR  39           HN       THR  39  -2.809  -2.399   7.299
  298    HA   THR  39           HA       THR  39  -4.940  -3.740   8.747
  299    HB   THR  39           HB       THR  39  -4.837  -1.838  10.454
  300    HG1  THR  39           HG1      THR  39  -2.168  -1.667   9.525
  301   HG21  THR  39          HG21      THR  39  -2.659  -2.942  11.544
  302   HG22  THR  39          HG22      THR  39  -3.073  -4.188  10.368
  303   HG23  THR  39          HG23      THR  39  -4.254  -3.692  11.582
  304    H    SER  40           HN       SER  40  -6.857  -2.962   8.128
  305    HA   SER  40           HA       SER  40  -6.955  -0.315   6.780
  306    HB2  SER  40           HB2      SER  40  -9.054  -1.074   5.766
  307    HB3  SER  40           HB1      SER  40  -7.711  -2.130   5.333
  308    HG   SER  40           HG       SER  40  -8.682  -3.181   7.501
  309    H    SER  41           HN       SER  41  -8.008   1.210   7.836
  310    HA   SER  41           HA       SER  41  -9.166   0.408  10.378
  311    HB2  SER  41           HB2      SER  41  -7.547   2.237  10.431
  312    HB3  SER  41           HB1      SER  41  -8.528   3.167   9.300
  313    HG   SER  41           HG       SER  41  -8.686   3.145  11.933
  314    H    ASN  42           HN       ASN  42 -11.153   0.918  11.034
  315    HA   ASN  42           HA       ASN  42 -13.422   1.236  10.964
  316    HB2  ASN  42           HB2      ASN  42 -14.606   2.290   9.290
  317    HB3  ASN  42           HB1      ASN  42 -12.965   2.960   8.990
  318   HD21  ASN  42          HD21      ASN  42 -12.488   3.037   6.962
  319   HD22  ASN  42          HD22      ASN  42 -12.996   1.923   5.720
  320    H    ALA  43           HN       ALA  43 -11.463  -0.695   9.001
  321    HA   ALA  43           HA       ALA  43 -11.526  -2.850   8.343
  322    HB1  ALA  43           HB1      ALA  43 -12.548  -2.796  10.835
  323    HB2  ALA  43           HB2      ALA  43 -12.227  -4.268   9.920
  324    HB3  ALA  43           HB3      ALA  43 -13.856  -3.593   9.960
  325    H    GLY  44           HN       GLY  44 -12.578  -1.620   6.286
  326    HA2  GLY  44           HA2      GLY  44 -13.508  -3.041   4.551
  327    HA3  GLY  44           HA1      GLY  44 -14.878  -3.354   5.649
  328    H    TYR  45           HN       TYR  45 -13.494  -0.174   4.893
  329    HA   TYR  45           HA       TYR  45 -15.884   0.377   3.266
  330    HB2  TYR  45           HB2      TYR  45 -14.362   2.304   5.051
  331    HB3  TYR  45           HB1      TYR  45 -15.539   2.813   3.824
  332    HD1  TYR  45           HD1      TYR  45 -16.612  -0.223   5.347
  333    HD2  TYR  45           HD2      TYR  45 -16.400   3.979   5.989
  334    HE1  TYR  45           HE1      TYR  45 -18.373  -0.400   7.049
  335    HE2  TYR  45           HE2      TYR  45 -18.167   3.813   7.685
  336    HH   TYR  45           HH       TYR  45 -18.969   1.599   9.300
  337    H    GLY  46           HN       GLY  46 -15.436   1.946   1.498
  338    HA2  GLY  46           HA2      GLY  46 -12.681   1.554   0.478
  339    HA3  GLY  46           HA1      GLY  46 -14.114   1.753  -0.521
  340    H    ILE  47           HN       ILE  47 -13.095   3.485  -1.642
  341    HA   ILE  47           HA       ILE  47 -11.911   5.801  -0.641
  342    HB   ILE  47           HB       ILE  47 -13.994   5.968  -2.765
  343   HG12  ILE  47          HG12      ILE  47 -12.055   5.464  -4.417
  344   HG13  ILE  47          HG11      ILE  47 -11.434   4.541  -3.038
  345   HG21  ILE  47          HG21      ILE  47 -12.140   7.751  -1.785
  346   HG22  ILE  47          HG22      ILE  47 -13.109   7.936  -3.249
  347   HG23  ILE  47          HG23      ILE  47 -11.486   7.247  -3.343
  348   HD11  ILE  47          HD11      ILE  47 -13.510   3.860  -4.882
  349   HD12  ILE  47          HD12      ILE  47 -14.133   3.878  -3.231
  350   HD13  ILE  47          HD13      ILE  47 -12.745   2.872  -3.639
  351    H    SER  48           HN       SER  48 -15.161   5.216  -1.629
  352    HA   SER  48           HA       SER  48 -16.758   6.244   0.357
  353    HB2  SER  48           HB2      SER  48 -17.295   8.508  -0.547
  354    HB3  SER  48           HB1      SER  48 -15.617   8.390   0.029
  355    HG   SER  48           HG       SER  48 -15.064   9.043  -1.884
  356    H    TYR  49           HN       TYR  49 -16.683   7.240  -2.991
  357    HA   TYR  49           HA       TYR  49 -17.944   4.914  -3.953
  358    HB2  TYR  49           HB2      TYR  49 -19.793   6.296  -5.149
  359    HB3  TYR  49           HB1      TYR  49 -20.064   5.713  -3.504
  360    HD1  TYR  49           HD1      TYR  49 -21.450   7.304  -2.408
  361    HD2  TYR  49           HD2      TYR  49 -18.231   8.719  -4.835
  362    HE1  TYR  49           HE1      TYR  49 -21.936   9.600  -1.724
  363    HE2  TYR  49           HE2      TYR  49 -18.729  11.017  -4.143
  364    HH   TYR  49           HH       TYR  49 -19.810  12.224  -2.403
  365    H    GLU  50           HN       GLU  50 -15.789   5.134  -4.849
  366    HA   GLU  50           HA       GLU  50 -15.856   6.673  -7.336
  367    HB2  GLU  50           HB2      GLU  50 -13.675   6.736  -5.267
  368    HB3  GLU  50           HB1      GLU  50 -13.426   7.265  -6.921
  369    HG2  GLU  50           HG2      GLU  50 -15.423   8.417  -4.986
  370    HG3  GLU  50           HG1      GLU  50 -13.857   9.107  -5.416
  371    H    ASP  51           HN       ASP  51 -13.158   6.159  -8.002
  372    HA   ASP  51           HA       ASP  51 -12.730   3.301  -7.891
  373    HB2  ASP  51           HB2      ASP  51 -13.999   3.208  -9.833
  374    HB3  ASP  51           HB1      ASP  51 -13.292   4.704 -10.482
  375    H    LYS  52           HN       LYS  52 -10.804   3.150  -7.188
  376    HA   LYS  52           HA       LYS  52  -8.706   4.983  -8.059
  377    HB2  LYS  52           HB2      LYS  52  -9.534   3.999  -5.374
  378    HB3  LYS  52           HB1      LYS  52  -7.850   4.412  -5.655
  379    HG2  LYS  52           HG2      LYS  52  -9.134   6.238  -4.647
  380    HG3  LYS  52           HG1      LYS  52  -8.447   6.647  -6.211
  381    HD2  LYS  52           HD2      LYS  52 -10.587   6.355  -7.284
  382    HD3  LYS  52           HD1      LYS  52 -11.325   5.845  -5.756
  383    HE2  LYS  52           HE2      LYS  52 -11.754   8.233  -6.348
  384    HE3  LYS  52           HE1      LYS  52 -10.918   8.039  -4.806
  385    HZ1  LYS  52           HZ1      LYS  52  -8.940   8.815  -5.679
  386    HZ2  LYS  52           HZ2      LYS  52 -10.072   9.793  -6.486
  387    HZ3  LYS  52           HZ3      LYS  52  -9.370   8.462  -7.284
  388    H    ASN  53           HN       ASN  53  -7.423   3.819  -9.354
  389    HA   ASN  53           HA       ASN  53  -6.936   1.028  -8.726
  390    HB2  ASN  53           HB2      ASN  53  -6.001   2.720 -11.050
  391    HB3  ASN  53           HB1      ASN  53  -5.659   0.991 -10.853
  392   HD21  ASN  53          HD21      ASN  53  -8.703   1.698  -9.603
  393   HD22  ASN  53          HD22      ASN  53  -9.642   1.232 -10.995
  394    H    TRP  54           HN       TRP  54  -5.218   0.240  -7.800
  395    HA   TRP  54           HA       TRP  54  -3.051   2.117  -7.172
  396    HB2  TRP  54           HB2      TRP  54  -4.715   0.441  -5.487
  397    HB3  TRP  54           HB1      TRP  54  -2.988   0.062  -5.277
  398    HD1  TRP  54           HD1      TRP  54  -5.203   3.297  -5.269
  399    HE1  TRP  54           HE1      TRP  54  -4.121   4.899  -3.555
  400    HE3  TRP  54           HE3      TRP  54  -1.247   0.427  -3.903
  401    HZ2  TRP  54           HZ2      TRP  54  -1.804   4.885  -1.892
  402    HZ3  TRP  54           HZ3      TRP  54   0.323   1.302  -2.255
  403    HH2  TRP  54           HH2      TRP  54   0.037   3.473  -1.254
  404    H    GLY  55           HN       GLY  55  -0.982   1.060  -6.540
  405    HA2  GLY  55           HA2      GLY  55  -0.599  -1.583  -7.669
  406    HA3  GLY  55           HA1      GLY  55   0.322  -0.293  -8.443
  407    H    ILE  56           HN       ILE  56   1.386  -2.462  -7.306
  408    HA   ILE  56           HA       ILE  56   3.140  -1.359  -5.204
  409    HB   ILE  56           HB       ILE  56   2.040  -4.200  -5.303
  410   HG12  ILE  56          HG12      ILE  56   1.599  -2.108  -3.160
  411   HG13  ILE  56          HG11      ILE  56   0.424  -2.458  -4.449
  412   HG21  ILE  56          HG21      ILE  56   3.275  -3.773  -2.850
  413   HG22  ILE  56          HG22      ILE  56   4.369  -3.057  -4.034
  414   HG23  ILE  56          HG23      ILE  56   3.882  -4.746  -4.189
  415   HD11  ILE  56          HD11      ILE  56   0.397  -4.824  -3.628
  416   HD12  ILE  56          HD12      ILE  56  -0.248  -3.633  -2.497
  417   HD13  ILE  56          HD13      ILE  56   1.370  -4.292  -2.256
  418    H    PHE  57           HN       PHE  57   4.915  -1.110  -6.516
  419    HA   PHE  57           HA       PHE  57   5.239  -3.061  -8.638
  420    HB2  PHE  57           HB2      PHE  57   6.729  -0.446  -8.312
  421    HB3  PHE  57           HB1      PHE  57   6.640  -1.458  -9.765
  422    HD1  PHE  57           HD1      PHE  57   4.478   0.599  -7.474
  423    HD2  PHE  57           HD2      PHE  57   5.010  -1.087 -11.354
  424    HE1  PHE  57           HE1      PHE  57   2.478   1.737  -8.229
  425    HE2  PHE  57           HE2      PHE  57   2.999   0.104 -12.124
  426    HZ   PHE  57           HZ       PHE  57   1.736   1.522 -10.543
  427    H    VAL  58           HN       VAL  58   6.266  -4.787  -7.901
  428    HA   VAL  58           HA       VAL  58   8.806  -4.504  -6.486
  429    HB   VAL  58           HB       VAL  58   7.261  -6.990  -7.260
  430   HG11  VAL  58          HG11      VAL  58   8.856  -8.280  -6.084
  431   HG12  VAL  58          HG12      VAL  58   9.674  -6.839  -5.476
  432   HG13  VAL  58          HG13      VAL  58   9.763  -7.249  -7.191
  433   HG21  VAL  58          HG21      VAL  58   7.822  -6.121  -4.466
  434   HG22  VAL  58          HG22      VAL  58   6.497  -7.105  -5.092
  435   HG23  VAL  58          HG23      VAL  58   6.502  -5.361  -5.357
  436    H    ASN  59           HN       ASN  59  10.528  -4.186  -7.651
  437    HA   ASN  59           HA       ASN  59  12.099  -4.256  -9.287
  438    HB2  ASN  59           HB2      ASN  59  10.573  -6.671 -10.299
  439    HB3  ASN  59           HB1      ASN  59  12.163  -6.135 -10.893
  440   HD21  ASN  59          HD21      ASN  59  10.755  -8.359  -9.047
  441   HD22  ASN  59          HD22      ASN  59  11.999  -8.645  -7.882
  442    H    GLY  60           HN       GLY  60   9.866  -2.577  -9.509
  443    HA2  GLY  60           HA2      GLY  60   9.416  -0.949 -11.132
  444    HA3  GLY  60           HA1      GLY  60  10.052  -2.071 -12.352
  445    H    GLU  61           HN       GLU  61   8.397  -4.251 -11.588
  446    HA   GLU  61           HA       GLU  61   6.095  -3.435 -13.138
  447    HB2  GLU  61           HB2      GLU  61   5.653  -5.825 -13.402
  448    HB3  GLU  61           HB1      GLU  61   7.326  -5.443 -13.797
  449    HG2  GLU  61           HG2      GLU  61   7.993  -6.246 -11.546
  450    HG3  GLU  61           HG1      GLU  61   6.311  -6.706 -11.259
  451    H    LYS  62           HN       LYS  62   3.992  -3.556 -12.564
  452    HA   LYS  62           HA       LYS  62   3.395  -3.318  -9.778
  453    HB2  LYS  62           HB2      LYS  62   2.265  -1.970 -11.491
  454    HB3  LYS  62           HB1      LYS  62   1.578  -3.446 -12.200
  455    HG2  LYS  62           HG2      LYS  62   0.239  -3.824 -10.244
  456    HG3  LYS  62           HG1      LYS  62   1.022  -2.463  -9.399
  457    HD2  LYS  62           HD2      LYS  62  -1.163  -1.789 -10.204
  458    HD3  LYS  62           HD1      LYS  62   0.089  -0.920 -11.088
  459    HE2  LYS  62           HE2      LYS  62  -1.338  -3.375 -12.113
  460    HE3  LYS  62           HE1      LYS  62  -1.813  -1.724 -12.492
  461    HZ1  LYS  62           HZ1      LYS  62   0.780  -1.718 -13.187
  462    HZ2  LYS  62           HZ2      LYS  62  -0.498  -2.026 -14.259
  463    HZ3  LYS  62           HZ3      LYS  62   0.354  -3.318 -13.560
  464    H    VAL  63           HN       VAL  63   3.627  -5.146  -8.647
  465    HA   VAL  63           HA       VAL  63   2.988  -7.693  -9.725
  466    HB   VAL  63           HB       VAL  63   4.863  -7.331  -8.256
  467   HG11  VAL  63          HG11      VAL  63   3.812  -5.700  -6.734
  468   HG12  VAL  63          HG12      VAL  63   4.634  -7.006  -5.879
  469   HG13  VAL  63          HG13      VAL  63   2.876  -7.013  -6.017
  470   HG21  VAL  63          HG21      VAL  63   4.847  -9.418  -7.440
  471   HG22  VAL  63          HG22      VAL  63   3.364  -9.529  -8.389
  472   HG23  VAL  63          HG23      VAL  63   3.279  -9.224  -6.653
  473    H    TYR  64           HN       TYR  64   1.318  -5.443  -7.637
  474    HA   TYR  64           HA       TYR  64  -1.017  -7.184  -7.751
  475    HB2  TYR  64           HB2      TYR  64  -0.000  -7.603  -5.535
  476    HB3  TYR  64           HB1      TYR  64  -0.125  -5.863  -5.185
  477    HD1  TYR  64           HD1      TYR  64  -1.764  -5.596  -3.515
  478    HD2  TYR  64           HD2      TYR  64  -2.525  -8.267  -6.743
  479    HE1  TYR  64           HE1      TYR  64  -4.055  -5.933  -2.701
  480    HE2  TYR  64           HE2      TYR  64  -4.814  -8.603  -5.928
  481    HH   TYR  64           HH       TYR  64  -5.862  -8.056  -3.058
  482    H    THR  65           HN       THR  65  -2.944  -6.116  -7.937
  483    HA   THR  65           HA       THR  65  -2.866  -3.189  -7.914
  484    HB   THR  65           HB       THR  65  -4.516  -4.887  -9.664
  485    HG1  THR  65           HG1      THR  65  -2.463  -5.062 -10.432
  486   HG21  THR  65          HG21      THR  65  -4.449  -2.015  -9.210
  487   HG22  THR  65          HG22      THR  65  -5.737  -3.029  -9.862
  488   HG23  THR  65          HG23      THR  65  -4.419  -2.500 -10.906
  489    H    PHE  66           HN       PHE  66  -4.353  -2.228  -6.583
  490    HA   PHE  66           HA       PHE  66  -6.789  -3.734  -6.010
  491    HB2  PHE  66           HB2      PHE  66  -6.767  -3.290  -3.645
  492    HB3  PHE  66           HB1      PHE  66  -5.356  -4.271  -4.135
  493    HD1  PHE  66           HD1      PHE  66  -6.390  -0.793  -3.245
  494    HD2  PHE  66           HD2      PHE  66  -3.219  -3.626  -3.482
  495    HE1  PHE  66           HE1      PHE  66  -4.928   0.744  -2.002
  496    HE2  PHE  66           HE2      PHE  66  -1.753  -2.091  -2.239
  497    HZ   PHE  66           HZ       PHE  66  -2.599   0.106  -1.494
  498    H    ASN  67           HN       ASN  67  -8.553  -2.582  -5.787
  499    HA   ASN  67           HA       ASN  67  -8.277   0.303  -6.250
  500    HB2  ASN  67           HB2      ASN  67 -10.586   0.095  -7.258
  501    HB3  ASN  67           HB1      ASN  67  -9.315  -0.751  -8.140
  502   HD21  ASN  67          HD21      ASN  67 -12.390  -1.015  -7.251
  503   HD22  ASN  67          HD22      ASN  67 -12.544  -2.731  -7.117
  504    H    GLU  68           HN       GLU  68  -9.284   1.713  -4.818
  505    HA   GLU  68           HA       GLU  68  -9.924   0.681  -2.290
  506    HB2  GLU  68           HB2      GLU  68 -10.816   3.424  -3.212
  507    HB3  GLU  68           HB1      GLU  68 -10.389   2.886  -1.597
  508    HG2  GLU  68           HG2      GLU  68  -8.044   2.622  -2.282
  509    HG3  GLU  68           HG1      GLU  68  -8.483   3.240  -3.890
  510    H    LYS  69           HN       LYS  69 -11.741   0.854  -5.089
  511    HA   LYS  69           HA       LYS  69 -14.404   1.085  -4.130
  512    HB2  LYS  69           HB2      LYS  69 -13.412  -0.739  -6.321
  513    HB3  LYS  69           HB1      LYS  69 -15.042  -0.065  -6.140
  514    HG2  LYS  69           HG2      LYS  69 -14.159   2.179  -6.566
  515    HG3  LYS  69           HG1      LYS  69 -12.537   1.474  -6.792
  516    HD2  LYS  69           HD2      LYS  69 -13.494   1.792  -8.964
  517    HD3  LYS  69           HD1      LYS  69 -13.486   0.064  -8.635
  518    HE2  LYS  69           HE2      LYS  69 -15.882   1.876  -8.318
  519    HE3  LYS  69           HE1      LYS  69 -15.566   0.866  -9.727
  520    HZ1  LYS  69           HZ1      LYS  69 -15.452  -0.941  -7.752
  521    HZ2  LYS  69           HZ2      LYS  69 -16.860  -0.578  -8.627
  522    HZ3  LYS  69           HZ3      LYS  69 -16.594   0.143  -7.112
  523    H    SER  70           HN       SER  70 -12.075  -1.475  -4.578
  524    HA   SER  70           HA       SER  70 -13.603  -3.404  -3.091
  525    HB2  SER  70           HB2      SER  70 -11.991  -4.181  -4.811
  526    HB3  SER  70           HB1      SER  70 -10.669  -3.482  -3.826
  527    HG   SER  70           HG       SER  70 -10.695  -5.359  -2.875
  528    H    THR  71           HN       THR  71 -13.990  -2.723  -1.145
  529    HA   THR  71           HA       THR  71 -12.962  -0.799   0.351
  530    HB   THR  71           HB       THR  71 -13.663  -2.055   2.340
  531    HG1  THR  71           HG1      THR  71 -14.074  -4.172   0.491
  532   HG21  THR  71          HG21      THR  71 -15.744  -2.701   0.339
  533   HG22  THR  71          HG22      THR  71 -15.256  -1.015   0.510
  534   HG23  THR  71          HG23      THR  71 -15.885  -1.897   1.903
  535    H    VAL  72           HN       VAL  72 -11.085  -0.309   1.371
  536    HA   VAL  72           HA       VAL  72  -8.791  -1.700   1.090
  537    HB   VAL  72           HB       VAL  72  -8.300  -0.227   3.396
  538   HG11  VAL  72          HG11      VAL  72  -7.899   0.017   0.472
  539   HG12  VAL  72          HG12      VAL  72  -6.735   0.115   1.796
  540   HG13  VAL  72          HG13      VAL  72  -7.748   1.506   1.405
  541   HG21  VAL  72          HG21      VAL  72  -9.453   1.804   3.191
  542   HG22  VAL  72          HG22      VAL  72 -10.726   0.610   2.933
  543   HG23  VAL  72          HG23      VAL  72  -9.999   1.447   1.548
  544    H    GLY  73           HN       GLY  73 -11.321  -2.402   3.136
  545    HA2  GLY  73           HA2      GLY  73  -9.921  -3.866   5.166
  546    HA3  GLY  73           HA1      GLY  73 -11.622  -3.936   4.756
  547    H    ASN  74           HN       ASN  74 -12.040  -4.872   2.501
  548    HA   ASN  74           HA       ASN  74 -11.374  -7.598   2.495
  549    HB2  ASN  74           HB2      ASN  74 -13.300  -6.662   1.260
  550    HB3  ASN  74           HB1      ASN  74 -12.186  -5.848   0.145
  551   HD21  ASN  74          HD21      ASN  74 -11.949  -6.835  -1.705
  552   HD22  ASN  74          HD22      ASN  74 -12.058  -8.549  -1.980
  553    H    ILE  75           HN       ILE  75  -9.779  -4.849   1.142
  554    HA   ILE  75           HA       ILE  75  -7.979  -6.387  -0.499
  555    HB   ILE  75           HB       ILE  75  -8.161  -3.544   0.265
  556   HG12  ILE  75          HG12      ILE  75  -9.847  -4.413  -1.290
  557   HG13  ILE  75          HG11      ILE  75  -8.780  -3.293  -2.162
  558   HG21  ILE  75          HG21      ILE  75  -6.354  -3.004  -1.255
  559   HG22  ILE  75          HG22      ILE  75  -6.134  -4.714  -1.625
  560   HG23  ILE  75          HG23      ILE  75  -5.786  -4.111  -0.007
  561   HD11  ILE  75          HD11      ILE  75  -8.733  -4.959  -3.664
  562   HD12  ILE  75          HD12      ILE  75  -9.165  -6.192  -2.480
  563   HD13  ILE  75          HD13      ILE  75  -7.501  -5.628  -2.597
  564    H    SER  76           HN       SER  76  -7.819  -4.849   2.658
  565    HA   SER  76           HA       SER  76  -5.012  -5.375   2.919
  566    HB2  SER  76           HB2      SER  76  -5.839  -3.548   4.178
  567    HB3  SER  76           HB1      SER  76  -7.107  -4.530   4.920
  568    HG   SER  76           HG       SER  76  -5.632  -5.443   6.230
  569    H    ASN  77           HN       ASN  77  -7.837  -7.211   3.315
  570    HA   ASN  77           HA       ASN  77  -6.660  -9.330   4.858
  571    HB2  ASN  77           HB2      ASN  77  -8.914  -9.299   2.834
  572    HB3  ASN  77           HB1      ASN  77  -8.338 -10.782   3.600
  573   HD21  ASN  77          HD21      ASN  77  -9.510 -11.402   5.235
  574   HD22  ASN  77          HD22      ASN  77 -10.376 -10.375   6.334
  575    H    ASP  78           HN       ASP  78  -6.947  -8.451   1.437
  576    HA   ASP  78           HA       ASP  78  -5.364 -10.536   0.415
  577    HB2  ASP  78           HB2      ASP  78  -5.906  -7.800  -0.706
  578    HB3  ASP  78           HB1      ASP  78  -4.924  -9.026  -1.556
  579    H    ILE  79           HN       ILE  79  -4.443  -7.408   1.749
  580    HA   ILE  79           HA       ILE  79  -1.867  -7.529   0.674
  581    HB   ILE  79           HB       ILE  79  -2.623  -6.049   3.230
  582   HG12  ILE  79          HG12      ILE  79  -4.088  -5.469   1.271
  583   HG13  ILE  79          HG11      ILE  79  -3.088  -4.112   1.846
  584   HG21  ILE  79          HG21      ILE  79  -0.714  -4.676   2.790
  585   HG22  ILE  79          HG22      ILE  79  -0.473  -5.406   1.205
  586   HG23  ILE  79          HG23      ILE  79  -0.175  -6.351   2.661
  587   HD11  ILE  79          HD11      ILE  79  -2.360  -5.861  -0.492
  588   HD12  ILE  79          HD12      ILE  79  -1.605  -4.346   0.006
  589   HD13  ILE  79          HD13      ILE  79  -3.249  -4.343  -0.626
  590    H    ASN  80           HN       ASN  80  -3.248  -8.918   3.532
  591    HA   ASN  80           HA       ASN  80  -0.739  -9.740   4.636
  592    HB2  ASN  80           HB2      ASN  80  -3.582 -10.544   5.240
  593    HB3  ASN  80           HB1      ASN  80  -2.182 -11.122   6.122
  594   HD21  ASN  80          HD21      ASN  80  -4.608  -9.026   6.306
  595   HD22  ASN  80          HD22      ASN  80  -3.880  -7.772   7.267
  596    H    LYS  81           HN       LYS  81  -2.743 -10.829   2.084
  597    HA   LYS  81           HA       LYS  81  -1.871 -13.608   2.174
  598    HB2  LYS  81           HB2      LYS  81  -2.631 -12.426  -0.440
  599    HB3  LYS  81           HB1      LYS  81  -3.058 -13.978   0.242
  600    HG2  LYS  81           HG2      LYS  81  -4.323 -11.320   0.857
  601    HG3  LYS  81           HG1      LYS  81  -5.007 -12.616  -0.142
  602    HD2  LYS  81           HD2      LYS  81  -4.764 -14.049   2.039
  603    HD3  LYS  81           HD1      LYS  81  -4.686 -12.457   2.817
  604    HE2  LYS  81           HE2      LYS  81  -6.968 -13.298   2.810
  605    HE3  LYS  81           HE1      LYS  81  -6.813 -11.833   1.842
  606    HZ1  LYS  81           HZ1      LYS  81  -6.441 -13.663  -0.039
  607    HZ2  LYS  81           HZ2      LYS  81  -7.981 -13.088   0.383
  608    HZ3  LYS  81           HZ3      LYS  81  -7.422 -14.559   1.016
  609    H    LEU  82           HN       LEU  82  -1.480 -10.943  -0.065
  610    HA   LEU  82           HA       LEU  82   0.468 -11.828  -1.684
  611    HB2  LEU  82           HB2      LEU  82  -0.323  -9.115  -0.774
  612    HB3  LEU  82           HB1      LEU  82   1.014  -9.326  -1.922
  613    HG   LEU  82           HG       LEU  82  -1.238  -8.869  -2.928
  614   HD11  LEU  82          HD11      LEU  82   0.356  -9.691  -4.413
  615   HD12  LEU  82          HD12      LEU  82  -1.012 -10.785  -4.617
  616   HD13  LEU  82          HD13      LEU  82   0.371 -11.276  -3.640
  617   HD21  LEU  82          HD21      LEU  82  -2.852 -10.613  -3.166
  618   HD22  LEU  82          HD22      LEU  82  -2.593 -10.283  -1.452
  619   HD23  LEU  82          HD23      LEU  82  -1.855 -11.701  -2.200
  620    H    ASN  83           HN       ASN  83   0.949 -10.650   1.554
  621    HA   ASN  83           HA       ASN  83   2.805 -10.377   2.871
  622    HB2  ASN  83           HB2      ASN  83   2.828 -12.840   2.362
  623    HB3  ASN  83           HB1      ASN  83   3.952 -12.501   1.043
  624   HD21  ASN  83          HD21      ASN  83   4.498 -10.414   3.622
  625   HD22  ASN  83          HD22      ASN  83   5.814 -11.280   4.364
  626    H    ILE  84           HN       ILE  84   2.928  -8.255   1.608
  627    HA   ILE  84           HA       ILE  84   4.861  -8.014  -0.447
  628    HB   ILE  84           HB       ILE  84   3.553  -5.845   1.175
  629   HG12  ILE  84          HG12      ILE  84   1.910  -7.309   0.061
  630   HG13  ILE  84          HG11      ILE  84   1.943  -5.688  -0.676
  631   HG21  ILE  84          HG21      ILE  84   3.978  -4.522  -0.959
  632   HG22  ILE  84          HG22      ILE  84   5.110  -5.805  -1.386
  633   HG23  ILE  84          HG23      ILE  84   5.369  -4.851   0.075
  634   HD11  ILE  84          HD11      ILE  84   2.850  -8.303  -1.777
  635   HD12  ILE  84          HD12      ILE  84   3.631  -6.818  -2.323
  636   HD13  ILE  84          HD13      ILE  84   1.891  -7.028  -2.528
  637    H    LYS  85           HN       LYS  85   6.955  -8.507   0.131
  638    HA   LYS  85           HA       LYS  85   8.301  -6.466   1.589
  639    HB2  LYS  85           HB2      LYS  85   9.498  -8.244   3.097
  640    HB3  LYS  85           HB1      LYS  85   8.015  -7.461   3.591
  641    HG2  LYS  85           HG2      LYS  85   7.858  -9.741   4.198
  642    HG3  LYS  85           HG1      LYS  85   6.766  -9.487   2.849
  643    HD2  LYS  85           HD2      LYS  85   9.524 -10.594   2.430
  644    HD3  LYS  85           HD1      LYS  85   8.191 -11.632   2.927
  645    HE2  LYS  85           HE2      LYS  85   6.933 -10.926   0.923
  646    HE3  LYS  85           HE1      LYS  85   8.315  -9.949   0.424
  647    HZ1  LYS  85           HZ1      LYS  85   9.579 -11.814  -0.037
  648    HZ2  LYS  85           HZ2      LYS  85   8.033 -12.299  -0.547
  649    HZ3  LYS  85           HZ3      LYS  85   8.639 -12.838   0.947
  650    H    GLY  86           HN       GLY  86   9.426  -6.052  -0.198
  651    HA2  GLY  86           HA2      GLY  86  11.297  -6.077  -1.504
  652    HA3  GLY  86           HA1      GLY  86  11.911  -7.366  -0.449
  653    HA   PRO  87           HA       PRO  87  13.014  -6.441  -2.554
  654    HB2  PRO  87           HB2      PRO  87  14.025  -6.524  -4.999
  655    HB3  PRO  87           HB1      PRO  87  14.289  -7.850  -3.864
  656    HG2  PRO  87           HG2      PRO  87  12.434  -7.667  -6.189
  657    HG3  PRO  87           HG1      PRO  87  13.376  -9.054  -5.614
  658    HD2  PRO  87           HD2      PRO  87  10.647  -8.550  -5.052
  659    HD3  PRO  87           HD1      PRO  87  11.708  -9.738  -4.228
  660    H    TYR  88           HN       TYR  88  13.591  -4.482  -4.007
  661    HA   TYR  88           HA       TYR  88  12.646  -2.316  -4.291
  662    HB2  TYR  88           HB2      TYR  88  12.391  -3.839  -6.895
  663    HB3  TYR  88           HB1      TYR  88  12.348  -2.053  -6.752
  664    HD1  TYR  88           HD1      TYR  88  14.586  -4.720  -5.340
  665    HD2  TYR  88           HD2      TYR  88  14.248  -1.166  -7.633
  666    HE1  TYR  88           HE1      TYR  88  17.036  -4.663  -5.593
  667    HE2  TYR  88           HE2      TYR  88  16.690  -1.088  -7.896
  668    HH   TYR  88           HH       TYR  88  18.700  -1.952  -6.671
  669    H    ILE  89           HN       ILE  89  10.693  -1.981  -3.161
  670    HA   ILE  89           HA       ILE  89   8.244  -2.660  -4.658
  671    HB   ILE  89           HB       ILE  89   8.559  -2.112  -1.695
  672   HG12  ILE  89          HG12      ILE  89   7.908  -4.668  -3.212
  673   HG13  ILE  89          HG11      ILE  89   9.502  -4.328  -2.486
  674   HG21  ILE  89          HG21      ILE  89   6.130  -3.105  -3.171
  675   HG22  ILE  89          HG22      ILE  89   6.379  -1.421  -2.706
  676   HG23  ILE  89          HG23      ILE  89   6.260  -2.673  -1.467
  677   HD11  ILE  89          HD11      ILE  89   6.990  -4.305  -0.844
  678   HD12  ILE  89          HD12      ILE  89   8.662  -4.532  -0.328
  679   HD13  ILE  89          HD13      ILE  89   7.831  -5.809  -1.218
  680    H    GLU  90           HN       GLU  90   6.697  -1.181  -5.062
  681    HA   GLU  90           HA       GLU  90   6.992   1.534  -4.002
  682    HB2  GLU  90           HB2      GLU  90   6.331   1.042  -6.913
  683    HB3  GLU  90           HB1      GLU  90   6.570   2.601  -6.113
  684    HG2  GLU  90           HG2      GLU  90   8.918   2.126  -5.812
  685    HG3  GLU  90           HG1      GLU  90   8.714   0.521  -6.514
  686    H    ILE  91           HN       ILE  91   5.195   1.216  -2.687
  687    HA   ILE  91           HA       ILE  91   2.696   0.317  -3.923
  688    HB   ILE  91           HB       ILE  91   3.019   1.023  -1.017
  689   HG12  ILE  91          HG12      ILE  91   3.764  -1.610  -2.295
  690   HG13  ILE  91          HG11      ILE  91   4.889  -0.480  -1.547
  691   HG21  ILE  91          HG21      ILE  91   0.925   0.253  -0.951
  692   HG22  ILE  91          HG22      ILE  91   1.563  -1.337  -1.359
  693   HG23  ILE  91          HG23      ILE  91   1.018  -0.261  -2.640
  694   HD11  ILE  91          HD11      ILE  91   4.441  -1.239   0.502
  695   HD12  ILE  91          HD12      ILE  91   3.706  -2.617  -0.317
  696   HD13  ILE  91          HD13      ILE  91   2.700  -1.264   0.210
  697    H    LYS  92           HN       LYS  92   1.647   2.002  -4.952
  698    HA   LYS  92           HA       LYS  92   0.711   4.217  -3.431
  699    HB2  LYS  92           HB2      LYS  92   1.874   5.997  -4.288
  700    HB3  LYS  92           HB1      LYS  92   3.152   4.784  -4.386
  701    HG2  LYS  92           HG2      LYS  92   1.345   5.630  -6.650
  702    HG3  LYS  92           HG1      LYS  92   2.996   6.179  -6.394
  703    HD2  LYS  92           HD2      LYS  92   3.836   3.935  -6.800
  704    HD3  LYS  92           HD1      LYS  92   2.180   3.321  -6.900
  705    HE2  LYS  92           HE2      LYS  92   1.769   4.346  -8.950
  706    HE3  LYS  92           HE1      LYS  92   3.012   5.561  -8.667
  707    HZ1  LYS  92           HZ1      LYS  92   3.332   3.546 -10.329
  708    HZ2  LYS  92           HZ2      LYS  92   3.981   2.852  -8.923
  709    HZ3  LYS  92           HZ3      LYS  92   4.623   4.301  -9.526
  710    H    GLN  93           HN       GLN  93  -0.652   5.712  -4.977
  711    HA   GLN  93           HA       GLN  93  -2.130   3.901  -6.679
  712    HB2  GLN  93           HB2      GLN  93  -3.734   5.635  -7.015
  713    HB3  GLN  93           HB1      GLN  93  -3.396   5.466  -5.286
  714    HG2  GLN  93           HG2      GLN  93  -1.943   7.400  -5.360
  715    HG3  GLN  93           HG1      GLN  93  -2.212   7.534  -7.096
  716   HE21  GLN  93          HE21      GLN  93  -3.667   8.962  -7.677
  717   HE22  GLN  93          HE22      GLN  93  -4.996   9.522  -6.717
  718    H    ILE  94           HN       ILE  94  -2.838   4.618  -8.794
  719    HA   ILE  94           HA       ILE  94  -0.619   5.836 -10.290
  720    HB   ILE  94           HB       ILE  94  -1.052   4.032 -11.955
  721   HG12  ILE  94          HG12      ILE  94  -2.648   2.942  -9.622
  722   HG13  ILE  94          HG11      ILE  94  -3.249   3.392 -11.212
  723   HG21  ILE  94          HG21      ILE  94   0.267   3.816  -9.369
  724   HG22  ILE  94          HG22      ILE  94   0.861   3.408 -10.980
  725   HG23  ILE  94          HG23      ILE  94  -0.128   2.253 -10.084
  726   HD11  ILE  94          HD11      ILE  94  -1.214   1.457 -11.544
  727   HD12  ILE  94          HD12      ILE  94  -2.934   1.336 -11.917
  728   HD13  ILE  94          HD13      ILE  94  -2.346   0.901 -10.312
  Start of MODEL   10
    1    H    ASP   1           HT1      ASP   1  18.323   1.455   9.968
    2    HA   ASP   1           HA       ASP   1  19.736   3.218   8.481
    3    HB2  ASP   1           HB2      ASP   1  17.013   2.000   7.945
    4    HB3  ASP   1           HB1      ASP   1  18.107   2.619   6.712
    5    H    ASN   2           HN       ASN   2  19.605   5.290   7.884
    6    HA   ASN   2           HA       ASN   2  17.196   6.761   7.654
    7    HB2  ASN   2           HB2      ASN   2  17.267   6.702  10.112
    8    HB3  ASN   2           HB1      ASN   2  18.890   7.379  10.090
    9   HD21  ASN   2          HD21      ASN   2  15.705   8.071  10.484
   10   HD22  ASN   2          HD22      ASN   2  15.740   9.774  10.174
   11    H    GLN   3           HN       GLN   3  20.664   6.978   8.336
   12    HA   GLN   3           HA       GLN   3  21.084   9.523   7.307
   13    HB2  GLN   3           HB2      GLN   3  23.020   7.210   7.390
   14    HB3  GLN   3           HB1      GLN   3  23.462   8.891   7.129
   15    HG2  GLN   3           HG2      GLN   3  22.203   7.740   9.610
   16    HG3  GLN   3           HG1      GLN   3  23.883   8.243   9.417
   17   HE21  GLN   3          HE21      GLN   3  21.085   9.128  10.745
   18   HE22  GLN   3          HE22      GLN   3  21.248  10.849  10.711
   19    H    LYS   4           HN       LYS   4  21.625   6.406   5.604
   20    HA   LYS   4           HA       LYS   4  21.478   7.947   3.106
   21    HB2  LYS   4           HB2      LYS   4  23.665   6.825   3.442
   22    HB3  LYS   4           HB1      LYS   4  22.835   5.278   3.565
   23    HG2  LYS   4           HG2      LYS   4  23.796   5.581   1.355
   24    HG3  LYS   4           HG1      LYS   4  22.033   5.514   1.271
   25    HD2  LYS   4           HD2      LYS   4  21.970   7.980   1.185
   26    HD3  LYS   4           HD1      LYS   4  23.734   8.011   1.201
   27    HE2  LYS   4           HE2      LYS   4  21.979   6.765  -0.914
   28    HE3  LYS   4           HE1      LYS   4  22.889   8.268  -1.063
   29    HZ1  LYS   4           HZ1      LYS   4  24.824   6.555  -0.368
   30    HZ2  LYS   4           HZ2      LYS   4  24.416   6.931  -1.976
   31    HZ3  LYS   4           HZ3      LYS   4  23.798   5.524  -1.250
   32    H    ALA   5           HN       ALA   5  20.384   5.214   4.956
   33    HA   ALA   5           HA       ALA   5  18.550   4.512   2.810
   34    HB1  ALA   5           HB1      ALA   5  18.477   2.774   5.135
   35    HB2  ALA   5           HB2      ALA   5  20.084   2.901   4.417
   36    HB3  ALA   5           HB3      ALA   5  18.717   2.376   3.434
   37    H    LEU   6           HN       LEU   6  17.294   6.456   3.262
   38    HA   LEU   6           HA       LEU   6  15.604   6.172   5.654
   39    HB2  LEU   6           HB2      LEU   6  15.128   8.546   5.519
   40    HB3  LEU   6           HB1      LEU   6  16.852   8.267   5.630
   41    HG   LEU   6           HG       LEU   6  15.400   8.942   3.059
   42   HD11  LEU   6          HD11      LEU   6  15.227  10.942   4.124
   43   HD12  LEU   6          HD12      LEU   6  16.879  11.099   3.525
   44   HD13  LEU   6          HD13      LEU   6  16.589  10.617   5.196
   45   HD21  LEU   6          HD21      LEU   6  18.150   8.174   3.701
   46   HD22  LEU   6          HD22      LEU   6  18.019   9.669   2.775
   47   HD23  LEU   6          HD23      LEU   6  17.305   8.182   2.152
   48    H    GLU   7           HN       GLU   7  15.558   5.541   2.452
   49    HA   GLU   7           HA       GLU   7  13.399   6.719   1.314
   50    HB2  GLU   7           HB2      GLU   7  14.875   5.221   0.102
   51    HB3  GLU   7           HB1      GLU   7  14.256   3.839   0.993
   52    HG2  GLU   7           HG2      GLU   7  13.332   3.927  -1.245
   53    HG3  GLU   7           HG1      GLU   7  12.068   4.144  -0.037
   54    H    GLU   8           HN       GLU   8  13.070   3.430   2.709
   55    HA   GLU   8           HA       GLU   8  10.233   3.733   2.725
   56    HB2  GLU   8           HB2      GLU   8  10.235   1.440   3.692
   57    HB3  GLU   8           HB1      GLU   8  11.121   1.584   2.183
   58    HG2  GLU   8           HG2      GLU   8  13.222   1.668   3.453
   59    HG3  GLU   8           HG1      GLU   8  12.304   1.461   4.943
   60    H    GLN   9           HN       GLN   9  12.410   4.993   4.758
   61    HA   GLN   9           HA       GLN   9  10.894   4.518   7.211
   62    HB2  GLN   9           HB2      GLN   9  13.486   5.986   6.707
   63    HB3  GLN   9           HB1      GLN   9  12.690   5.945   8.268
   64    HG2  GLN   9           HG2      GLN   9  14.519   4.361   8.169
   65    HG3  GLN   9           HG1      GLN   9  12.977   3.530   8.367
   66   HE21  GLN   9          HE21      GLN   9  13.000   1.700   7.310
   67   HE22  GLN   9          HE22      GLN   9  13.631   1.454   5.713
   68    H    MET  10           HN       MET  10  10.988   6.796   4.653
   69    HA   MET  10           HA       MET  10  10.055   8.902   6.491
   70    HB2  MET  10           HB2      MET  10  11.188   9.147   3.708
   71    HB3  MET  10           HB1      MET  10  10.603  10.498   4.671
   72    HG2  MET  10           HG2      MET  10  12.901   8.676   5.350
   73    HG3  MET  10           HG1      MET  10  13.010  10.347   4.797
   74    HE1  MET  10           HE1      MET  10  14.530   9.329   7.138
   75    HE2  MET  10           HE2      MET  10  14.139  10.218   8.611
   76    HE3  MET  10           HE3      MET  10  14.532  11.094   7.131
   77    H    ASN  11           HN       ASN  11   9.435   8.502   3.022
   78    HA   ASN  11           HA       ASN  11   6.612   9.128   3.552
   79    HB2  ASN  11           HB2      ASN  11   8.239   9.169   1.013
   80    HB3  ASN  11           HB1      ASN  11   6.488   9.371   1.053
   81   HD21  ASN  11          HD21      ASN  11   5.889  11.420   0.962
   82   HD22  ASN  11          HD22      ASN  11   6.766  12.775   1.581
   83    H    SER  12           HN       SER  12   8.730   6.957   1.939
   84    HA   SER  12           HA       SER  12   7.242   5.570   0.328
   85    HB2  SER  12           HB2      SER  12   9.588   5.085   0.680
   86    HB3  SER  12           HB1      SER  12   9.251   4.467   2.312
   87    HG   SER  12           HG       SER  12   9.383   3.066   0.102
   88    H    ILE  13           HN       ILE  13   7.742   4.249   3.565
   89    HA   ILE  13           HA       ILE  13   5.369   2.613   3.306
   90    HB   ILE  13           HB       ILE  13   7.522   2.726   5.420
   91   HG12  ILE  13          HG12      ILE  13   8.300   2.247   3.174
   92   HG13  ILE  13          HG11      ILE  13   8.500   0.841   4.253
   93   HG21  ILE  13          HG21      ILE  13   6.387   1.186   6.580
   94   HG22  ILE  13          HG22      ILE  13   6.278   0.157   5.150
   95   HG23  ILE  13          HG23      ILE  13   5.038   1.374   5.457
   96   HD11  ILE  13          HD11      ILE  13   7.580  -0.296   2.554
   97   HD12  ILE  13          HD12      ILE  13   6.907   1.156   1.812
   98   HD13  ILE  13          HD13      ILE  13   6.055   0.368   3.141
   99    H    ASN  14           HN       ASN  14   6.127   5.598   4.587
  100    HA   ASN  14           HA       ASN  14   4.064   5.399   6.668
  101    HB2  ASN  14           HB2      ASN  14   6.012   7.631   6.116
  102    HB3  ASN  14           HB1      ASN  14   4.762   7.674   7.359
  103   HD21  ASN  14          HD21      ASN  14   7.911   7.215   6.953
  104   HD22  ASN  14          HD22      ASN  14   8.241   6.113   8.244
  105    H    SER  15           HN       SER  15   4.857   7.642   4.003
  106    HA   SER  15           HA       SER  15   2.302   8.861   4.087
  107    HB2  SER  15           HB2      SER  15   4.302   8.897   1.825
  108    HB3  SER  15           HB1      SER  15   2.907   9.973   2.017
  109    HG   SER  15           HG       SER  15   4.356  11.177   2.993
  110    H    VAL  16           HN       VAL  16   3.379   5.887   2.822
  111    HA   VAL  16           HA       VAL  16   1.601   5.491   0.659
  112    HB   VAL  16           HB       VAL  16   3.427   3.882   1.238
  113   HG11  VAL  16          HG11      VAL  16   1.662   3.239   3.577
  114   HG12  VAL  16          HG12      VAL  16   3.332   3.803   3.599
  115   HG13  VAL  16          HG13      VAL  16   2.955   2.188   3.000
  116   HG21  VAL  16          HG21      VAL  16   1.842   1.774   1.179
  117   HG22  VAL  16          HG22      VAL  16   1.994   2.846  -0.212
  118   HG23  VAL  16          HG23      VAL  16   0.606   2.995   0.875
  119    H    ASN  17           HN       ASN  17   1.240   5.361   4.120
  120    HA   ASN  17           HA       ASN  17  -1.410   4.314   4.217
  121    HB2  ASN  17           HB2      ASN  17   0.058   6.125   6.166
  122    HB3  ASN  17           HB1      ASN  17  -1.436   5.264   6.508
  123   HD21  ASN  17          HD21      ASN  17  -1.021   3.703   7.880
  124   HD22  ASN  17          HD22      ASN  17   0.327   2.624   7.819
  125    H    ASP  18           HN       ASP  18   0.031   7.510   4.174
  126    HA   ASP  18           HA       ASP  18  -2.187   9.059   4.651
  127    HB2  ASP  18           HB2      ASP  18   0.241   9.653   2.958
  128    HB3  ASP  18           HB1      ASP  18  -0.910  10.876   3.462
  129    H    LYS  19           HN       LYS  19  -1.667   7.218   1.784
  130    HA   LYS  19           HA       LYS  19  -3.512   8.939   0.263
  131    HB2  LYS  19           HB2      LYS  19  -2.148   6.368  -0.551
  132    HB3  LYS  19           HB1      LYS  19  -3.319   7.218  -1.541
  133    HG2  LYS  19           HG2      LYS  19  -1.185   7.772  -2.376
  134    HG3  LYS  19           HG1      LYS  19  -1.805   9.207  -1.543
  135    HD2  LYS  19           HD2      LYS  19   0.478   9.004  -0.971
  136    HD3  LYS  19           HD1      LYS  19  -0.437   8.463   0.440
  137    HE2  LYS  19           HE2      LYS  19   1.410   6.962   0.031
  138    HE3  LYS  19           HE1      LYS  19  -0.119   6.135  -0.261
  139    HZ1  LYS  19           HZ1      LYS  19   2.055   6.470  -2.008
  140    HZ2  LYS  19           HZ2      LYS  19   0.719   7.280  -2.678
  141    HZ3  LYS  19           HZ3      LYS  19   0.605   5.639  -2.284
  142    H    LEU  20           HN       LEU  20  -3.110   5.800   1.586
  143    HA   LEU  20           HA       LEU  20  -5.552   4.709   0.825
  144    HB2  LEU  20           HB2      LEU  20  -3.736   4.024   3.125
  145    HB3  LEU  20           HB1      LEU  20  -4.914   2.940   2.385
  146    HG   LEU  20           HG       LEU  20  -2.469   4.076   1.026
  147   HD11  LEU  20          HD11      LEU  20  -2.832   1.182   1.441
  148   HD12  LEU  20          HD12      LEU  20  -2.397   2.154   2.848
  149   HD13  LEU  20          HD13      LEU  20  -1.364   2.158   1.419
  150   HD21  LEU  20          HD21      LEU  20  -3.928   1.813  -0.156
  151   HD22  LEU  20          HD22      LEU  20  -3.167   3.201  -0.929
  152   HD23  LEU  20          HD23      LEU  20  -4.768   3.362  -0.209
  153    H    ASN  21           HN       ASN  21  -4.407   6.383   3.636
  154    HA   ASN  21           HA       ASN  21  -6.668   6.042   5.307
  155    HB2  ASN  21           HB2      ASN  21  -4.395   8.041   5.285
  156    HB3  ASN  21           HB1      ASN  21  -5.626   8.025   6.543
  157   HD21  ASN  21          HD21      ASN  21  -5.077   4.869   5.602
  158   HD22  ASN  21          HD22      ASN  21  -3.902   4.439   6.808
  159    H    LYS  22           HN       LYS  22  -8.618   6.721   4.322
  160    HA   LYS  22           HA       LYS  22  -8.540   9.464   3.214
  161    HB2  LYS  22           HB2      LYS  22 -10.063   7.039   2.291
  162    HB3  LYS  22           HB1      LYS  22 -10.387   8.673   1.694
  163    HG2  LYS  22           HG2      LYS  22  -8.204   8.849   0.765
  164    HG3  LYS  22           HG1      LYS  22  -7.674   7.360   1.546
  165    HD2  LYS  22           HD2      LYS  22  -9.891   7.459  -0.494
  166    HD3  LYS  22           HD1      LYS  22  -8.199   7.213  -0.921
  167    HE2  LYS  22           HE2      LYS  22  -9.334   5.079  -0.790
  168    HE3  LYS  22           HE1      LYS  22  -8.141   5.207   0.498
  169    HZ1  LYS  22           HZ1      LYS  22 -10.891   5.999   1.122
  170    HZ2  LYS  22           HZ2      LYS  22  -9.732   5.239   2.095
  171    HZ3  LYS  22           HZ3      LYS  22 -10.574   4.346   0.936
  172    H    GLY  23           HN       GLY  23 -10.709   7.215   4.912
  173    HA2  GLY  23           HA2      GLY  23 -11.889   8.749   6.709
  174    HA3  GLY  23           HA1      GLY  23 -12.629   9.335   5.207
  175    H    LYS  24           HN       LYS  24 -13.601   7.627   3.794
  176    HA   LYS  24           HA       LYS  24 -15.608   6.136   5.041
  177    HB2  LYS  24           HB2      LYS  24 -15.407   6.714   2.572
  178    HB3  LYS  24           HB1      LYS  24 -14.233   5.398   2.433
  179    HG2  LYS  24           HG2      LYS  24 -16.268   4.549   1.660
  180    HG3  LYS  24           HG1      LYS  24 -16.040   3.863   3.273
  181    HD2  LYS  24           HD2      LYS  24 -17.588   5.406   4.226
  182    HD3  LYS  24           HD1      LYS  24 -17.673   6.336   2.728
  183    HE2  LYS  24           HE2      LYS  24 -18.687   3.532   3.196
  184    HE3  LYS  24           HE1      LYS  24 -19.633   4.995   2.910
  185    HZ1  LYS  24           HZ1      LYS  24 -18.802   5.141   0.700
  186    HZ2  LYS  24           HZ2      LYS  24 -19.424   3.576   0.926
  187    HZ3  LYS  24           HZ3      LYS  24 -17.745   3.833   0.937
  188    H    GLY  25           HN       GLY  25 -12.769   4.826   3.402
  189    HA2  GLY  25           HA2      GLY  25 -12.259   3.156   5.717
  190    HA3  GLY  25           HA1      GLY  25 -12.287   2.380   4.142
  191    H    LYS  26           HN       LYS  26 -10.061   2.254   5.621
  192    HA   LYS  26           HA       LYS  26  -8.175   3.982   4.222
  193    HB2  LYS  26           HB2      LYS  26  -7.176   4.199   6.614
  194    HB3  LYS  26           HB1      LYS  26  -8.510   5.250   6.121
  195    HG2  LYS  26           HG2      LYS  26 -10.026   3.487   7.039
  196    HG3  LYS  26           HG1      LYS  26  -8.594   2.752   7.776
  197    HD2  LYS  26           HD2      LYS  26  -9.711   4.153   9.412
  198    HD3  LYS  26           HD1      LYS  26  -8.176   4.897   8.962
  199    HE2  LYS  26           HE2      LYS  26 -10.693   5.663   7.546
  200    HE3  LYS  26           HE1      LYS  26 -10.326   6.362   9.130
  201    HZ1  LYS  26           HZ1      LYS  26  -8.042   6.846   7.955
  202    HZ2  LYS  26           HZ2      LYS  26  -9.370   7.890   7.771
  203    HZ3  LYS  26           HZ3      LYS  26  -8.996   6.775   6.557
  204    H    LEU  27           HN       LEU  27  -5.978   3.219   4.386
  205    HA   LEU  27           HA       LEU  27  -5.722   0.462   5.303
  206    HB2  LEU  27           HB2      LEU  27  -6.232   0.223   3.058
  207    HB3  LEU  27           HB1      LEU  27  -5.108   1.507   2.566
  208    HG   LEU  27           HG       LEU  27  -3.222   0.091   3.234
  209   HD11  LEU  27          HD11      LEU  27  -3.463  -1.741   4.487
  210   HD12  LEU  27          HD12      LEU  27  -4.596  -2.438   3.330
  211   HD13  LEU  27          HD13      LEU  27  -5.185  -1.380   4.612
  212   HD21  LEU  27          HD21      LEU  27  -3.186  -1.102   1.277
  213   HD22  LEU  27          HD22      LEU  27  -4.507   0.016   0.939
  214   HD23  LEU  27          HD23      LEU  27  -4.857  -1.638   1.439
  215    H    SER  28           HN       SER  28  -3.756  -0.112   6.037
  216    HA   SER  28           HA       SER  28  -1.636   1.911   6.078
  217    HB2  SER  28           HB2      SER  28  -2.734   0.327   8.416
  218    HB3  SER  28           HB1      SER  28  -1.363   1.435   8.505
  219    HG   SER  28           HG       SER  28  -4.087   1.979   8.358
  220    H    LEU  29           HN       LEU  29   0.472   1.067   6.140
  221    HA   LEU  29           HA       LEU  29   0.665  -1.837   6.350
  222    HB2  LEU  29           HB2      LEU  29   2.213  -0.533   4.159
  223    HB3  LEU  29           HB1      LEU  29   1.630  -2.204   4.314
  224    HG   LEU  29           HG       LEU  29  -0.733  -0.992   4.085
  225   HD11  LEU  29          HD11      LEU  29   0.955   1.146   3.721
  226   HD12  LEU  29          HD12      LEU  29  -0.757   1.063   3.303
  227   HD13  LEU  29          HD13      LEU  29   0.466   0.706   2.084
  228   HD21  LEU  29          HD21      LEU  29   0.045  -2.766   2.622
  229   HD22  LEU  29          HD22      LEU  29   1.118  -1.646   1.784
  230   HD23  LEU  29          HD23      LEU  29  -0.630  -1.455   1.656
  231    H    SER  30           HN       SER  30   2.688  -2.615   6.902
  232    HA   SER  30           HA       SER  30   4.876  -0.798   7.376
  233    HB2  SER  30           HB2      SER  30   3.472  -0.476   9.395
  234    HB3  SER  30           HB1      SER  30   3.517  -2.213   9.694
  235    HG   SER  30           HG       SER  30   5.552  -0.288   9.972
  236    H    MET  31           HN       MET  31   6.665  -2.133   8.549
  237    HA   MET  31           HA       MET  31   6.533  -4.939   7.702
  238    HB2  MET  31           HB2      MET  31   8.919  -4.842   7.034
  239    HB3  MET  31           HB1      MET  31   7.874  -3.833   6.013
  240    HG2  MET  31           HG2      MET  31   9.573  -2.793   8.283
  241    HG3  MET  31           HG1      MET  31  10.067  -2.812   6.592
  242    HE1  MET  31           HE1      MET  31   9.851   0.152   8.373
  243    HE2  MET  31           HE2      MET  31   9.562   0.915   6.809
  244    HE3  MET  31           HE3      MET  31  10.677  -0.447   6.934
  245    H    ASN  32           HN       ASN  32   8.233  -6.236   8.762
  246    HA   ASN  32           HA       ASN  32   9.240  -5.179  11.270
  247    HB2  ASN  32           HB2      ASN  32   6.956  -6.109  11.802
  248    HB3  ASN  32           HB1      ASN  32   7.530  -7.687  11.230
  249   HD21  ASN  32          HD21      ASN  32   8.073  -8.983  12.831
  250   HD22  ASN  32          HD22      ASN  32   8.810  -8.504  14.333
  251    H    GLY  33           HN       GLY  33  11.229  -5.451  10.270
  252    HA2  GLY  33           HA2      GLY  33  13.178  -6.672   9.785
  253    HA3  GLY  33           HA1      GLY  33  12.290  -8.168  10.173
  254    H    ASN  34           HN       ASN  34  11.359  -9.311   8.563
  255    HA   ASN  34           HA       ASN  34  11.326  -8.093   5.877
  256    HB2  ASN  34           HB2      ASN  34  11.858 -10.971   6.629
  257    HB3  ASN  34           HB1      ASN  34  11.487 -10.455   4.990
  258   HD21  ASN  34          HD21      ASN  34  13.143  -7.942   6.212
  259   HD22  ASN  34          HD22      ASN  34  14.761  -8.399   5.763
  260    H    GLN  35           HN       GLN  35   9.308  -8.304   8.142
  261    HA   GLN  35           HA       GLN  35   7.261  -9.979   6.944
  262    HB2  GLN  35           HB2      GLN  35   7.180  -8.271   9.424
  263    HB3  GLN  35           HB1      GLN  35   5.848  -9.264   8.850
  264    HG2  GLN  35           HG2      GLN  35   8.554 -10.322   9.527
  265    HG3  GLN  35           HG1      GLN  35   7.200 -10.307  10.649
  266   HE21  GLN  35          HE21      GLN  35   6.193 -12.174  10.785
  267   HE22  GLN  35          HE22      GLN  35   6.033 -13.350   9.513
  268    H    LEU  36           HN       LEU  36   5.111  -9.172   6.693
  269    HA   LEU  36           HA       LEU  36   4.991  -6.387   5.751
  270    HB2  LEU  36           HB2      LEU  36   5.359  -7.723   3.836
  271    HB3  LEU  36           HB1      LEU  36   4.105  -8.880   4.294
  272    HG   LEU  36           HG       LEU  36   3.543  -7.397   2.344
  273   HD11  LEU  36          HD11      LEU  36   1.493  -7.997   2.950
  274   HD12  LEU  36          HD12      LEU  36   1.381  -6.479   3.843
  275   HD13  LEU  36          HD13      LEU  36   1.911  -7.947   4.663
  276   HD21  LEU  36          HD21      LEU  36   2.812  -5.071   2.893
  277   HD22  LEU  36          HD22      LEU  36   4.554  -5.332   2.976
  278   HD23  LEU  36          HD23      LEU  36   3.601  -5.245   4.459
  279    H    LYS  37           HN       LYS  37   3.406  -5.302   6.593
  280    HA   LYS  37           HA       LYS  37   1.230  -6.771   7.948
  281    HB2  LYS  37           HB2      LYS  37   2.579  -4.229   8.886
  282    HB3  LYS  37           HB1      LYS  37   1.555  -5.324   9.834
  283    HG2  LYS  37           HG2      LYS  37   4.292  -6.012   8.738
  284    HG3  LYS  37           HG1      LYS  37   3.982  -5.445  10.388
  285    HD2  LYS  37           HD2      LYS  37   2.992  -8.003   9.131
  286    HD3  LYS  37           HD1      LYS  37   4.260  -7.852  10.338
  287    HE2  LYS  37           HE2      LYS  37   2.603  -6.954  11.933
  288    HE3  LYS  37           HE1      LYS  37   1.338  -7.199  10.730
  289    HZ1  LYS  37           HZ1      LYS  37   2.491  -9.623  10.826
  290    HZ2  LYS  37           HZ2      LYS  37   1.109  -9.175  11.705
  291    HZ3  LYS  37           HZ3      LYS  37   2.638  -9.122  12.443
  292    H    ALA  38           HN       ALA  38  -0.752  -6.150   7.087
  293    HA   ALA  38           HA       ALA  38  -1.041  -3.294   6.387
  294    HB1  ALA  38           HB1      ALA  38  -1.763  -3.838   4.362
  295    HB2  ALA  38           HB2      ALA  38  -3.017  -4.867   5.056
  296    HB3  ALA  38           HB3      ALA  38  -1.420  -5.533   4.706
  297    H    THR  39           HN       THR  39  -2.825  -2.264   6.991
  298    HA   THR  39           HA       THR  39  -4.835  -3.677   8.568
  299    HB   THR  39           HB       THR  39  -4.660  -1.628  10.165
  300    HG1  THR  39           HG1      THR  39  -2.192  -1.578   8.820
  301   HG21  THR  39          HG21      THR  39  -3.200  -4.132  10.155
  302   HG22  THR  39          HG22      THR  39  -4.030  -3.308  11.476
  303   HG23  THR  39          HG23      THR  39  -2.372  -2.867  11.064
  304    H    SER  40           HN       SER  40  -6.822  -3.026   8.158
  305    HA   SER  40           HA       SER  40  -7.270  -0.454   6.740
  306    HB2  SER  40           HB2      SER  40  -9.243  -1.609   5.734
  307    HB3  SER  40           HB1      SER  40  -7.673  -2.220   5.204
  308    HG   SER  40           HG       SER  40  -8.996  -3.396   7.398
  309    H    SER  41           HN       SER  41  -8.623   0.871   7.754
  310    HA   SER  41           HA       SER  41  -9.996  -0.239  10.106
  311    HB2  SER  41           HB2      SER  41  -9.416   2.652   9.432
  312    HB3  SER  41           HB1      SER  41 -10.205   2.085  10.905
  313    HG   SER  41           HG       SER  41  -8.155   2.188  11.530
  314    H    ASN  42           HN       ASN  42 -12.095   0.542  10.677
  315    HA   ASN  42           HA       ASN  42 -14.298   0.932  10.324
  316    HB2  ASN  42           HB2      ASN  42 -13.435   1.858   7.571
  317    HB3  ASN  42           HB1      ASN  42 -15.136   1.875   8.164
  318   HD21  ASN  42          HD21      ASN  42 -12.432   3.713   7.784
  319   HD22  ASN  42          HD22      ASN  42 -12.734   4.921   9.007
  320    H    ALA  43           HN       ALA  43 -12.478  -1.359   9.325
  321    HA   ALA  43           HA       ALA  43 -12.708  -3.457   8.413
  322    HB1  ALA  43           HB1      ALA  43 -14.228  -4.698   9.671
  323    HB2  ALA  43           HB2      ALA  43 -15.351  -3.347   9.816
  324    HB3  ALA  43           HB3      ALA  43 -13.815  -3.312  10.683
  325    H    GLY  44           HN       GLY  44 -13.188  -2.189   6.169
  326    HA2  GLY  44           HA2      GLY  44 -14.044  -3.363   4.255
  327    HA3  GLY  44           HA1      GLY  44 -15.552  -3.635   5.182
  328    H    TYR  45           HN       TYR  45 -13.854  -0.556   4.884
  329    HA   TYR  45           HA       TYR  45 -16.051   0.354   3.163
  330    HB2  TYR  45           HB2      TYR  45 -14.517   1.937   5.238
  331    HB3  TYR  45           HB1      TYR  45 -15.494   2.686   3.961
  332    HD1  TYR  45           HD1      TYR  45 -16.493  -0.423   5.715
  333    HD2  TYR  45           HD2      TYR  45 -17.039   3.797   5.464
  334    HE1  TYR  45           HE1      TYR  45 -18.476  -0.593   7.150
  335    HE2  TYR  45           HE2      TYR  45 -19.021   3.626   6.889
  336    HH   TYR  45           HH       TYR  45 -20.594   0.762   7.535
  337    H    GLY  46           HN       GLY  46 -15.541   1.588   1.396
  338    HA2  GLY  46           HA2      GLY  46 -12.827   1.187   0.385
  339    HA3  GLY  46           HA1      GLY  46 -14.241   1.655  -0.549
  340    H    ILE  47           HN       ILE  47 -13.120   3.316  -1.549
  341    HA   ILE  47           HA       ILE  47 -11.511   5.267  -0.451
  342    HB   ILE  47           HB       ILE  47 -13.570   6.106  -2.385
  343   HG12  ILE  47          HG12      ILE  47 -12.079   5.231  -4.265
  344   HG13  ILE  47          HG11      ILE  47 -11.516   4.087  -3.037
  345   HG21  ILE  47          HG21      ILE  47 -10.686   6.572  -2.770
  346   HG22  ILE  47          HG22      ILE  47 -11.517   7.413  -1.460
  347   HG23  ILE  47          HG23      ILE  47 -12.056   7.623  -3.125
  348   HD11  ILE  47          HD11      ILE  47 -13.226   2.805  -3.574
  349   HD12  ILE  47          HD12      ILE  47 -13.944   4.072  -4.578
  350   HD13  ILE  47          HD13      ILE  47 -14.281   4.019  -2.844
  351    H    SER  48           HN       SER  48 -14.833   5.411  -1.295
  352    HA   SER  48           HA       SER  48 -16.196   6.494   0.793
  353    HB2  SER  48           HB2      SER  48 -14.580   8.391   0.732
  354    HB3  SER  48           HB1      SER  48 -14.999   8.686  -0.967
  355    HG   SER  48           HG       SER  48 -16.095   9.946   0.844
  356    H    TYR  49           HN       TYR  49 -16.484   8.505  -1.936
  357    HA   TYR  49           HA       TYR  49 -17.900   6.475  -3.471
  358    HB2  TYR  49           HB2      TYR  49 -18.947   9.141  -2.698
  359    HB3  TYR  49           HB1      TYR  49 -19.193   8.637  -4.380
  360    HD1  TYR  49           HD1      TYR  49 -21.696   8.524  -4.098
  361    HD2  TYR  49           HD2      TYR  49 -19.090   6.219  -1.613
  362    HE1  TYR  49           HE1      TYR  49 -23.585   7.157  -3.373
  363    HE2  TYR  49           HE2      TYR  49 -20.999   4.861  -0.886
  364    HH   TYR  49           HH       TYR  49 -23.832   4.697  -2.462
  365    H    GLU  50           HN       GLU  50 -15.745   6.314  -4.323
  366    HA   GLU  50           HA       GLU  50 -15.292   8.146  -6.544
  367    HB2  GLU  50           HB2      GLU  50 -13.306   7.572  -4.363
  368    HB3  GLU  50           HB1      GLU  50 -12.803   8.098  -5.957
  369    HG2  GLU  50           HG2      GLU  50 -14.615   9.628  -4.107
  370    HG3  GLU  50           HG1      GLU  50 -12.890   9.900  -4.351
  371    H    ASP  51           HN       ASP  51 -12.849   7.208  -7.356
  372    HA   ASP  51           HA       ASP  51 -12.742   4.386  -7.110
  373    HB2  ASP  51           HB2      ASP  51 -12.766   3.797  -9.469
  374    HB3  ASP  51           HB1      ASP  51 -14.272   4.582  -8.988
  375    H    LYS  52           HN       LYS  52 -10.724   3.567  -7.288
  376    HA   LYS  52           HA       LYS  52  -8.546   5.274  -8.194
  377    HB2  LYS  52           HB2      LYS  52  -8.885   4.165  -5.439
  378    HB3  LYS  52           HB1      LYS  52  -7.301   4.558  -6.084
  379    HG2  LYS  52           HG2      LYS  52  -7.916   6.408  -4.823
  380    HG3  LYS  52           HG1      LYS  52  -8.221   6.865  -6.489
  381    HD2  LYS  52           HD2      LYS  52 -10.629   6.181  -6.116
  382    HD3  LYS  52           HD1      LYS  52 -10.216   6.083  -4.396
  383    HE2  LYS  52           HE2      LYS  52  -9.966   8.524  -6.153
  384    HE3  LYS  52           HE1      LYS  52 -11.159   8.264  -4.880
  385    HZ1  LYS  52           HZ1      LYS  52  -8.503   9.248  -4.671
  386    HZ2  LYS  52           HZ2      LYS  52  -8.692   7.877  -3.690
  387    HZ3  LYS  52           HZ3      LYS  52  -9.728   9.211  -3.492
  388    H    ASN  53           HN       ASN  53  -6.734   4.161  -8.853
  389    HA   ASN  53           HA       ASN  53  -6.865   1.241  -8.556
  390    HB2  ASN  53           HB2      ASN  53  -6.000   2.800 -10.988
  391    HB3  ASN  53           HB1      ASN  53  -5.536   1.109 -10.722
  392   HD21  ASN  53          HD21      ASN  53  -8.554   1.576  -9.349
  393   HD22  ASN  53          HD22      ASN  53  -9.498   0.983 -10.686
  394    H    TRP  54           HN       TRP  54  -5.187   0.348  -7.622
  395    HA   TRP  54           HA       TRP  54  -2.867   2.078  -7.129
  396    HB2  TRP  54           HB2      TRP  54  -4.626   0.591  -5.336
  397    HB3  TRP  54           HB1      TRP  54  -2.907   0.212  -5.085
  398    HD1  TRP  54           HD1      TRP  54  -5.081   3.468  -5.328
  399    HE1  TRP  54           HE1      TRP  54  -3.959   5.181  -3.756
  400    HE3  TRP  54           HE3      TRP  54  -1.172   0.649  -3.769
  401    HZ2  TRP  54           HZ2      TRP  54  -1.634   5.256  -2.115
  402    HZ3  TRP  54           HZ3      TRP  54   0.427   1.615  -2.208
  403    HH2  TRP  54           HH2      TRP  54   0.191   3.865  -1.379
  404    H    GLY  55           HN       GLY  55  -0.868   1.006  -6.525
  405    HA2  GLY  55           HA2      GLY  55  -0.649  -1.782  -7.185
  406    HA3  GLY  55           HA1      GLY  55   0.258  -0.746  -8.267
  407    H    ILE  56           HN       ILE  56   1.177  -2.722  -6.599
  408    HA   ILE  56           HA       ILE  56   3.103  -1.315  -4.813
  409    HB   ILE  56           HB       ILE  56   2.129  -4.202  -4.699
  410   HG12  ILE  56          HG12      ILE  56   1.696  -2.010  -2.664
  411   HG13  ILE  56          HG11      ILE  56   0.481  -2.459  -3.882
  412   HG21  ILE  56          HG21      ILE  56   4.305  -2.726  -3.323
  413   HG22  ILE  56          HG22      ILE  56   4.235  -4.405  -3.859
  414   HG23  ILE  56          HG23      ILE  56   3.390  -3.912  -2.391
  415   HD11  ILE  56          HD11      ILE  56   0.736  -4.831  -2.910
  416   HD12  ILE  56          HD12      ILE  56  -0.155  -3.626  -1.974
  417   HD13  ILE  56          HD13      ILE  56   1.508  -4.029  -1.542
  418    H    PHE  57           HN       PHE  57   4.992  -1.218  -5.900
  419    HA   PHE  57           HA       PHE  57   5.321  -3.127  -8.081
  420    HB2  PHE  57           HB2      PHE  57   6.652  -0.439  -7.689
  421    HB3  PHE  57           HB1      PHE  57   6.804  -1.475  -9.121
  422    HD1  PHE  57           HD1      PHE  57   5.385  -1.139 -10.891
  423    HD2  PHE  57           HD2      PHE  57   4.212   0.281  -7.057
  424    HE1  PHE  57           HE1      PHE  57   3.378  -0.113 -11.867
  425    HE2  PHE  57           HE2      PHE  57   2.219   1.278  -8.014
  426    HZ   PHE  57           HZ       PHE  57   1.780   1.071 -10.414
  427    H    VAL  58           HN       VAL  58   6.350  -4.815  -7.349
  428    HA   VAL  58           HA       VAL  58   8.880  -4.540  -5.906
  429    HB   VAL  58           HB       VAL  58   7.213  -6.966  -6.611
  430   HG11  VAL  58          HG11      VAL  58   9.859  -6.881  -5.172
  431   HG12  VAL  58          HG12      VAL  58   9.586  -7.539  -6.786
  432   HG13  VAL  58          HG13      VAL  58   8.838  -8.304  -5.384
  433   HG21  VAL  58          HG21      VAL  58   6.795  -5.276  -4.610
  434   HG22  VAL  58          HG22      VAL  58   8.051  -6.261  -3.856
  435   HG23  VAL  58          HG23      VAL  58   6.562  -7.016  -4.429
  436    H    ASN  59           HN       ASN  59  10.616  -4.242  -7.106
  437    HA   ASN  59           HA       ASN  59  12.144  -4.331  -8.784
  438    HB2  ASN  59           HB2      ASN  59  10.640  -6.818  -9.644
  439    HB3  ASN  59           HB1      ASN  59  12.196  -6.276 -10.319
  440   HD21  ASN  59          HD21      ASN  59  10.864  -8.406  -8.285
  441   HD22  ASN  59          HD22      ASN  59  12.171  -8.637  -7.178
  442    H    GLY  60           HN       GLY  60   9.770  -2.753  -9.059
  443    HA2  GLY  60           HA2      GLY  60   9.294  -1.212 -10.772
  444    HA3  GLY  60           HA1      GLY  60   9.992  -2.366 -11.926
  445    H    GLU  61           HN       GLU  61   8.396  -4.565 -11.054
  446    HA   GLU  61           HA       GLU  61   6.098  -3.932 -12.696
  447    HB2  GLU  61           HB2      GLU  61   5.738  -6.348 -12.798
  448    HB3  GLU  61           HB1      GLU  61   7.412  -5.950 -13.171
  449    HG2  GLU  61           HG2      GLU  61   8.002  -6.544 -10.819
  450    HG3  GLU  61           HG1      GLU  61   6.333  -7.083 -10.600
  451    H    LYS  62           HN       LYS  62   3.918  -4.543 -12.144
  452    HA   LYS  62           HA       LYS  62   3.319  -3.817  -9.421
  453    HB2  LYS  62           HB2      LYS  62   1.436  -4.660 -11.653
  454    HB3  LYS  62           HB1      LYS  62   0.971  -3.870 -10.129
  455    HG2  LYS  62           HG2      LYS  62   2.338  -1.931 -10.770
  456    HG3  LYS  62           HG1      LYS  62   2.644  -2.707 -12.347
  457    HD2  LYS  62           HD2      LYS  62   0.197  -2.762 -12.730
  458    HD3  LYS  62           HD1      LYS  62  -0.042  -1.887 -11.223
  459    HE2  LYS  62           HE2      LYS  62  -0.125  -0.395 -13.145
  460    HE3  LYS  62           HE1      LYS  62   1.242  -0.013 -12.100
  461    HZ1  LYS  62           HZ1      LYS  62   2.751  -0.747 -13.644
  462    HZ2  LYS  62           HZ2      LYS  62   1.535  -0.171 -14.677
  463    HZ3  LYS  62           HZ3      LYS  62   1.668  -1.836 -14.369
  464    H    VAL  63           HN       VAL  63   3.699  -5.353  -7.976
  465    HA   VAL  63           HA       VAL  63   3.289  -8.126  -8.555
  466    HB   VAL  63           HB       VAL  63   5.103  -7.366  -7.149
  467   HG11  VAL  63          HG11      VAL  63   4.908  -6.215  -5.227
  468   HG12  VAL  63          HG12      VAL  63   3.451  -7.081  -4.737
  469   HG13  VAL  63          HG13      VAL  63   3.342  -5.754  -5.895
  470   HG21  VAL  63          HG21      VAL  63   4.897  -9.562  -6.759
  471   HG22  VAL  63          HG22      VAL  63   3.191  -9.437  -6.324
  472   HG23  VAL  63          HG23      VAL  63   4.435  -9.007  -5.149
  473    H    TYR  64           HN       TYR  64   1.490  -5.604  -6.971
  474    HA   TYR  64           HA       TYR  64  -0.821  -7.345  -6.903
  475    HB2  TYR  64           HB2      TYR  64   0.080  -7.615  -4.639
  476    HB3  TYR  64           HB1      TYR  64   0.077  -5.847  -4.436
  477    HD1  TYR  64           HD1      TYR  64  -2.533  -8.058  -5.931
  478    HD2  TYR  64           HD2      TYR  64  -1.490  -5.466  -2.722
  479    HE1  TYR  64           HE1      TYR  64  -4.842  -8.152  -5.102
  480    HE2  TYR  64           HE2      TYR  64  -3.788  -5.553  -1.893
  481    HH   TYR  64           HH       TYR  64  -5.810  -7.524  -2.255
  482    H    THR  65           HN       THR  65  -2.516  -6.305  -7.711
  483    HA   THR  65           HA       THR  65  -2.535  -3.382  -7.615
  484    HB   THR  65           HB       THR  65  -3.832  -5.167  -9.559
  485    HG1  THR  65           HG1      THR  65  -1.741  -4.942 -10.149
  486   HG21  THR  65          HG21      THR  65  -3.872  -2.176  -9.604
  487   HG22  THR  65          HG22      THR  65  -5.231  -3.177  -9.095
  488   HG23  THR  65          HG23      THR  65  -4.646  -3.266 -10.756
  489    H    PHE  66           HN       PHE  66  -3.787  -2.676  -6.028
  490    HA   PHE  66           HA       PHE  66  -6.428  -3.961  -5.718
  491    HB2  PHE  66           HB2      PHE  66  -6.515  -3.297  -3.409
  492    HB3  PHE  66           HB1      PHE  66  -5.052  -4.287  -3.695
  493    HD1  PHE  66           HD1      PHE  66  -2.952  -3.479  -3.043
  494    HD2  PHE  66           HD2      PHE  66  -6.242  -0.783  -3.255
  495    HE1  PHE  66           HE1      PHE  66  -1.615  -1.753  -1.901
  496    HE2  PHE  66           HE2      PHE  66  -4.910   0.944  -2.133
  497    HZ   PHE  66           HZ       PHE  66  -2.585   0.479  -1.457
  498    H    ASN  67           HN       ASN  67  -8.110  -2.407  -5.124
  499    HA   ASN  67           HA       ASN  67  -7.480   0.309  -6.007
  500    HB2  ASN  67           HB2      ASN  67  -9.692   0.283  -7.258
  501    HB3  ASN  67           HB1      ASN  67  -8.400  -0.692  -7.960
  502   HD21  ASN  67          HD21      ASN  67  -8.948  -2.635  -8.579
  503   HD22  ASN  67          HD22      ASN  67 -10.279  -3.563  -7.977
  504    H    GLU  68           HN       GLU  68  -8.623   1.958  -4.888
  505    HA   GLU  68           HA       GLU  68  -9.525   1.232  -2.331
  506    HB2  GLU  68           HB2      GLU  68 -10.267   3.858  -3.623
  507    HB3  GLU  68           HB1      GLU  68 -10.038   3.476  -1.933
  508    HG2  GLU  68           HG2      GLU  68  -7.834   3.500  -3.966
  509    HG3  GLU  68           HG1      GLU  68  -8.189   4.779  -2.792
  510    H    LYS  69           HN       LYS  69 -10.999   1.182  -5.317
  511    HA   LYS  69           HA       LYS  69 -13.749   1.527  -4.798
  512    HB2  LYS  69           HB2      LYS  69 -12.439  -0.525  -6.598
  513    HB3  LYS  69           HB1      LYS  69 -14.068   0.166  -6.770
  514    HG2  LYS  69           HG2      LYS  69 -13.142   2.337  -7.290
  515    HG3  LYS  69           HG1      LYS  69 -11.493   1.731  -7.022
  516    HD2  LYS  69           HD2      LYS  69 -12.008   1.849  -9.403
  517    HD3  LYS  69           HD1      LYS  69 -11.771   0.177  -8.893
  518    HE2  LYS  69           HE2      LYS  69 -14.195  -0.135  -8.787
  519    HE3  LYS  69           HE1      LYS  69 -14.433   1.538  -9.293
  520    HZ1  LYS  69           HZ1      LYS  69 -13.767   1.091 -11.423
  521    HZ2  LYS  69           HZ2      LYS  69 -14.500  -0.388 -11.023
  522    HZ3  LYS  69           HZ3      LYS  69 -12.806  -0.239 -10.980
  523    H    SER  70           HN       SER  70 -11.581  -1.223  -4.760
  524    HA   SER  70           HA       SER  70 -13.295  -3.045  -3.422
  525    HB2  SER  70           HB2      SER  70 -11.257  -3.746  -4.716
  526    HB3  SER  70           HB1      SER  70 -10.270  -2.979  -3.434
  527    HG   SER  70           HG       SER  70 -10.781  -5.371  -3.326
  528    H    THR  71           HN       THR  71 -13.778  -3.034  -1.292
  529    HA   THR  71           HA       THR  71 -13.161  -0.867   0.347
  530    HB   THR  71           HB       THR  71 -14.010  -2.256   2.157
  531    HG1  THR  71           HG1      THR  71 -13.691  -4.301   0.246
  532   HG21  THR  71          HG21      THR  71 -16.119  -2.002   1.507
  533   HG22  THR  71          HG22      THR  71 -15.918  -3.102   0.143
  534   HG23  THR  71          HG23      THR  71 -15.447  -1.410  -0.014
  535    H    VAL  72           HN       VAL  72 -11.186  -0.347   1.225
  536    HA   VAL  72           HA       VAL  72  -8.981  -1.854   1.001
  537    HB   VAL  72           HB       VAL  72  -8.340  -0.287   3.211
  538   HG11  VAL  72          HG11      VAL  72  -8.045   1.040   0.620
  539   HG12  VAL  72          HG12      VAL  72  -7.608  -0.667   0.537
  540   HG13  VAL  72          HG13      VAL  72  -6.808   0.391   1.696
  541   HG21  VAL  72          HG21      VAL  72  -9.386   1.769   2.976
  542   HG22  VAL  72          HG22      VAL  72 -10.739   0.696   2.625
  543   HG23  VAL  72          HG23      VAL  72  -9.851   1.472   1.298
  544    H    GLY  73           HN       GLY  73 -11.452  -2.338   3.171
  545    HA2  GLY  73           HA2      GLY  73 -10.070  -3.742   5.243
  546    HA3  GLY  73           HA1      GLY  73 -11.773  -3.820   4.840
  547    H    ASN  74           HN       ASN  74 -12.051  -4.808   2.494
  548    HA   ASN  74           HA       ASN  74 -11.300  -7.547   2.761
  549    HB2  ASN  74           HB2      ASN  74 -13.402  -6.880   1.666
  550    HB3  ASN  74           HB1      ASN  74 -12.480  -6.084   0.377
  551   HD21  ASN  74          HD21      ASN  74 -12.404  -7.215  -1.402
  552   HD22  ASN  74          HD22      ASN  74 -12.365  -8.950  -1.523
  553    H    ILE  75           HN       ILE  75  -9.832  -4.797   1.382
  554    HA   ILE  75           HA       ILE  75  -8.118  -6.179  -0.496
  555    HB   ILE  75           HB       ILE  75  -7.799  -3.516   0.809
  556   HG12  ILE  75          HG12      ILE  75  -8.704  -4.157  -2.031
  557   HG13  ILE  75          HG11      ILE  75  -9.760  -3.618  -0.691
  558   HG21  ILE  75          HG21      ILE  75  -6.116  -3.043  -0.926
  559   HG22  ILE  75          HG22      ILE  75  -6.240  -4.725  -1.446
  560   HG23  ILE  75          HG23      ILE  75  -5.646  -4.342   0.169
  561   HD11  ILE  75          HD11      ILE  75  -8.371  -2.047  -2.545
  562   HD12  ILE  75          HD12      ILE  75  -7.567  -1.803  -0.996
  563   HD13  ILE  75          HD13      ILE  75  -9.298  -1.512  -1.146
  564    H    SER  76           HN       SER  76  -7.788  -4.980   2.835
  565    HA   SER  76           HA       SER  76  -5.064  -5.801   2.986
  566    HB2  SER  76           HB2      SER  76  -5.763  -3.977   4.376
  567    HB3  SER  76           HB1      SER  76  -7.005  -4.970   5.155
  568    HG   SER  76           HG       SER  76  -4.783  -6.270   5.520
  569    H    ASN  77           HN       ASN  77  -8.001  -7.430   3.333
  570    HA   ASN  77           HA       ASN  77  -7.058  -9.698   4.810
  571    HB2  ASN  77           HB2      ASN  77  -9.156  -9.458   2.628
  572    HB3  ASN  77           HB1      ASN  77  -8.822 -10.942   3.522
  573   HD21  ASN  77          HD21      ASN  77  -8.357  -8.569   5.704
  574   HD22  ASN  77          HD22      ASN  77  -9.952  -8.478   6.380
  575    H    ASP  78           HN       ASP  78  -7.130  -8.644   1.458
  576    HA   ASP  78           HA       ASP  78  -5.732 -10.863   0.413
  577    HB2  ASP  78           HB2      ASP  78  -6.422  -8.175  -0.707
  578    HB3  ASP  78           HB1      ASP  78  -5.363  -9.298  -1.601
  579    H    ILE  79           HN       ILE  79  -4.634  -7.916   1.899
  580    HA   ILE  79           HA       ILE  79  -2.069  -8.174   0.666
  581    HB   ILE  79           HB       ILE  79  -2.708  -6.463   3.117
  582   HG12  ILE  79          HG12      ILE  79  -2.754  -5.759   0.157
  583   HG13  ILE  79          HG11      ILE  79  -4.203  -5.993   1.157
  584   HG21  ILE  79          HG21      ILE  79  -0.756  -5.219   2.485
  585   HG22  ILE  79          HG22      ILE  79  -0.588  -6.121   0.982
  586   HG23  ILE  79          HG23      ILE  79  -0.293  -6.921   2.524
  587   HD11  ILE  79          HD11      ILE  79  -3.250  -4.111   2.599
  588   HD12  ILE  79          HD12      ILE  79  -3.932  -3.693   1.026
  589   HD13  ILE  79          HD13      ILE  79  -2.181  -3.788   1.235
  590    H    ASN  80           HN       ASN  80  -3.647  -9.629   3.239
  591    HA   ASN  80           HA       ASN  80  -1.274 -10.549   4.597
  592    HB2  ASN  80           HB2      ASN  80  -4.184 -11.331   4.765
  593    HB3  ASN  80           HB1      ASN  80  -2.916 -12.100   5.696
  594   HD21  ASN  80          HD21      ASN  80  -1.924  -9.021   5.408
  595   HD22  ASN  80          HD22      ASN  80  -2.611  -8.348   6.858
  596    H    LYS  81           HN       LYS  81  -3.310 -11.444   1.911
  597    HA   LYS  81           HA       LYS  81  -2.354 -14.161   1.707
  598    HB2  LYS  81           HB2      LYS  81  -3.159 -12.834  -0.803
  599    HB3  LYS  81           HB1      LYS  81  -3.627 -14.394  -0.170
  600    HG2  LYS  81           HG2      LYS  81  -4.795 -11.724   0.557
  601    HG3  LYS  81           HG1      LYS  81  -5.536 -12.961  -0.468
  602    HD2  LYS  81           HD2      LYS  81  -5.313 -14.470   1.652
  603    HD3  LYS  81           HD1      LYS  81  -5.152 -12.912   2.487
  604    HE2  LYS  81           HE2      LYS  81  -7.269 -12.164   1.575
  605    HE3  LYS  81           HE1      LYS  81  -7.453 -13.686   0.702
  606    HZ1  LYS  81           HZ1      LYS  81  -7.135 -13.649   3.643
  607    HZ2  LYS  81           HZ2      LYS  81  -7.809 -14.857   2.656
  608    HZ3  LYS  81           HZ3      LYS  81  -8.658 -13.412   2.926
  609    H    LEU  82           HN       LEU  82  -2.069 -11.435  -0.470
  610    HA   LEU  82           HA       LEU  82   0.028 -12.132  -2.025
  611    HB2  LEU  82           HB2      LEU  82  -1.011  -9.513  -1.066
  612    HB3  LEU  82           HB1      LEU  82   0.375  -9.598  -2.170
  613    HG   LEU  82           HG       LEU  82  -1.799  -9.230  -3.277
  614   HD11  LEU  82          HD11      LEU  82  -0.297 -11.726  -3.952
  615   HD12  LEU  82          HD12      LEU  82  -0.031 -10.104  -4.592
  616   HD13  LEU  82          HD13      LEU  82  -1.493 -10.991  -5.019
  617   HD21  LEU  82          HD21      LEU  82  -3.278 -10.563  -1.920
  618   HD22  LEU  82          HD22      LEU  82  -2.457 -12.029  -2.469
  619   HD23  LEU  82          HD23      LEU  82  -3.363 -11.043  -3.614
  620    H    ASN  83           HN       ASN  83   0.131 -10.826   1.203
  621    HA   ASN  83           HA       ASN  83   1.854 -10.186   2.612
  622    HB2  ASN  83           HB2      ASN  83   1.557 -12.687   2.717
  623    HB3  ASN  83           HB1      ASN  83   2.921 -12.834   1.607
  624   HD21  ASN  83          HD21      ASN  83   3.384 -10.204   3.621
  625   HD22  ASN  83          HD22      ASN  83   4.383 -10.968   4.821
  626    H    ILE  84           HN       ILE  84   2.473  -8.497   0.867
  627    HA   ILE  84           HA       ILE  84   4.650  -9.080  -0.819
  628    HB   ILE  84           HB       ILE  84   3.696  -6.335  -0.049
  629   HG12  ILE  84          HG12      ILE  84   2.482  -6.450  -2.295
  630   HG13  ILE  84          HG11      ILE  84   2.741  -8.208  -2.225
  631   HG21  ILE  84          HG21      ILE  84   5.486  -7.387  -2.186
  632   HG22  ILE  84          HG22      ILE  84   5.707  -6.003  -1.115
  633   HG23  ILE  84          HG23      ILE  84   4.561  -5.909  -2.452
  634   HD11  ILE  84          HD11      ILE  84   1.404  -6.797   0.044
  635   HD12  ILE  84          HD12      ILE  84   1.256  -8.472  -0.487
  636   HD13  ILE  84          HD13      ILE  84   0.501  -7.182  -1.422
  637    H    LYS  85           HN       LYS  85   6.521  -9.693   0.163
  638    HA   LYS  85           HA       LYS  85   7.756  -7.665   1.900
  639    HB2  LYS  85           HB2      LYS  85   8.956  -9.625   2.995
  640    HB3  LYS  85           HB1      LYS  85   7.253  -9.397   3.365
  641    HG2  LYS  85           HG2      LYS  85   6.606 -11.201   1.968
  642    HG3  LYS  85           HG1      LYS  85   8.204 -11.290   1.229
  643    HD2  LYS  85           HD2      LYS  85   7.916 -13.128   2.759
  644    HD3  LYS  85           HD1      LYS  85   9.135 -12.024   3.392
  645    HE2  LYS  85           HE2      LYS  85   7.497 -11.086   4.937
  646    HE3  LYS  85           HE1      LYS  85   6.249 -12.149   4.278
  647    HZ1  LYS  85           HZ1      LYS  85   7.253 -12.957   6.367
  648    HZ2  LYS  85           HZ2      LYS  85   8.754 -13.075   5.582
  649    HZ3  LYS  85           HZ3      LYS  85   7.456 -14.048   5.077
  650    H    GLY  86           HN       GLY  86   8.924  -6.743   0.281
  651    HA2  GLY  86           HA2      GLY  86  10.807  -6.374  -0.992
  652    HA3  GLY  86           HA1      GLY  86  11.503  -7.715  -0.065
  653    HA   PRO  87           HA       PRO  87  12.741  -6.536  -1.791
  654    HB2  PRO  87           HB2      PRO  87  14.261  -6.434  -3.946
  655    HB3  PRO  87           HB1      PRO  87  14.308  -7.842  -2.892
  656    HG2  PRO  87           HG2      PRO  87  13.043  -7.517  -5.563
  657    HG3  PRO  87           HG1      PRO  87  13.806  -8.948  -4.846
  658    HD2  PRO  87           HD2      PRO  87  11.004  -8.334  -4.900
  659    HD3  PRO  87           HD1      PRO  87  11.811  -9.686  -4.043
  660    H    TYR  88           HN       TYR  88  13.516  -4.444  -3.032
  661    HA   TYR  88           HA       TYR  88  12.626  -2.308  -3.407
  662    HB2  TYR  88           HB2      TYR  88  12.433  -3.658  -6.118
  663    HB3  TYR  88           HB1      TYR  88  12.560  -1.893  -5.817
  664    HD1  TYR  88           HD1      TYR  88  14.380  -5.095  -5.207
  665    HD2  TYR  88           HD2      TYR  88  14.656  -0.906  -5.822
  666    HE1  TYR  88           HE1      TYR  88  16.828  -5.279  -5.252
  667    HE2  TYR  88           HE2      TYR  88  17.107  -1.071  -5.879
  668    HH   TYR  88           HH       TYR  88  18.779  -3.938  -4.951
  669    H    ILE  89           HN       ILE  89  10.662  -1.991  -2.380
  670    HA   ILE  89           HA       ILE  89   8.247  -2.598  -3.971
  671    HB   ILE  89           HB       ILE  89   8.518  -2.175  -0.983
  672   HG12  ILE  89          HG12      ILE  89   7.817  -4.628  -2.635
  673   HG13  ILE  89          HG11      ILE  89   9.417  -4.370  -1.891
  674   HG21  ILE  89          HG21      ILE  89   6.215  -2.165  -2.785
  675   HG22  ILE  89          HG22      ILE  89   6.362  -1.595  -1.123
  676   HG23  ILE  89          HG23      ILE  89   6.070  -3.304  -1.446
  677   HD11  ILE  89          HD11      ILE  89   6.916  -4.372  -0.231
  678   HD12  ILE  89          HD12      ILE  89   8.581  -4.712   0.245
  679   HD13  ILE  89          HD13      ILE  89   7.682  -5.881  -0.724
  680    H    GLU  90           HN       GLU  90   7.020  -1.057  -4.691
  681    HA   GLU  90           HA       GLU  90   7.125   1.584  -3.409
  682    HB2  GLU  90           HB2      GLU  90   7.016   1.189  -6.409
  683    HB3  GLU  90           HB1      GLU  90   6.918   2.737  -5.558
  684    HG2  GLU  90           HG2      GLU  90   9.196   2.405  -4.726
  685    HG3  GLU  90           HG1      GLU  90   9.290   0.880  -5.608
  686    H    ILE  91           HN       ILE  91   5.208   1.485  -2.428
  687    HA   ILE  91           HA       ILE  91   2.851   0.496  -3.829
  688    HB   ILE  91           HB       ILE  91   2.903   1.408  -0.965
  689   HG12  ILE  91          HG12      ILE  91   3.843  -1.286  -1.956
  690   HG13  ILE  91          HG11      ILE  91   4.874  -0.047  -1.254
  691   HG21  ILE  91          HG21      ILE  91   0.878   0.474  -0.929
  692   HG22  ILE  91          HG22      ILE  91   1.598  -1.075  -1.356
  693   HG23  ILE  91          HG23      ILE  91   1.057   0.015  -2.628
  694   HD11  ILE  91          HD11      ILE  91   4.230  -0.528   0.852
  695   HD12  ILE  91          HD12      ILE  91   3.830  -2.089   0.135
  696   HD13  ILE  91          HD13      ILE  91   2.567  -0.880   0.375
  697    H    LYS  92           HN       LYS  92   1.715   2.053  -4.971
  698    HA   LYS  92           HA       LYS  92   0.793   4.411  -3.675
  699    HB2  LYS  92           HB2      LYS  92   1.913   6.110  -4.746
  700    HB3  LYS  92           HB1      LYS  92   3.212   4.919  -4.644
  701    HG2  LYS  92           HG2      LYS  92   1.470   5.425  -7.054
  702    HG3  LYS  92           HG1      LYS  92   3.105   6.030  -6.823
  703    HD2  LYS  92           HD2      LYS  92   3.972   3.749  -6.871
  704    HD3  LYS  92           HD1      LYS  92   2.324   3.124  -6.986
  705    HE2  LYS  92           HE2      LYS  92   2.045   3.854  -9.175
  706    HE3  LYS  92           HE1      LYS  92   3.264   5.119  -8.985
  707    HZ1  LYS  92           HZ1      LYS  92   3.739   2.234  -9.383
  708    HZ2  LYS  92           HZ2      LYS  92   4.958   3.292  -8.870
  709    HZ3  LYS  92           HZ3      LYS  92   4.218   3.517 -10.382
  710    H    GLN  93           HN       GLN  93  -0.573   5.767  -5.336
  711    HA   GLN  93           HA       GLN  93  -2.064   3.829  -6.870
  712    HB2  GLN  93           HB2      GLN  93  -3.637   5.542  -7.396
  713    HB3  GLN  93           HB1      GLN  93  -3.321   5.536  -5.656
  714    HG2  GLN  93           HG2      GLN  93  -1.867   7.450  -5.885
  715    HG3  GLN  93           HG1      GLN  93  -2.081   7.410  -7.633
  716   HE21  GLN  93          HE21      GLN  93  -3.010   8.963  -4.931
  717   HE22  GLN  93          HE22      GLN  93  -4.567   9.534  -5.421
  718    H    ILE  94           HN       ILE  94  -2.753   4.346  -9.043
  719    HA   ILE  94           HA       ILE  94  -0.537   5.394 -10.665
  720    HB   ILE  94           HB       ILE  94  -0.849   3.353 -12.058
  721   HG12  ILE  94          HG12      ILE  94  -2.471   2.552  -9.638
  722   HG13  ILE  94          HG11      ILE  94  -3.035   2.739 -11.292
  723   HG21  ILE  94          HG21      ILE  94   1.017   2.788 -10.991
  724   HG22  ILE  94          HG22      ILE  94   0.020   1.952  -9.794
  725   HG23  ILE  94          HG23      ILE  94   0.486   3.634  -9.537
  726   HD11  ILE  94          HD11      ILE  94  -2.239   0.421 -10.059
  727   HD12  ILE  94          HD12      ILE  94  -0.892   0.836 -11.118
  728   HD13  ILE  94          HD13      ILE  94  -2.514   0.652 -11.786
  Start of MODEL   11
    1    H    ASP   1           HT1      ASP   1  10.690  11.053  -5.678
    2    HA   ASP   1           HA       ASP   1   9.989   9.512  -7.282
    3    HB2  ASP   1           HB2      ASP   1  11.168  10.656  -9.151
    4    HB3  ASP   1           HB1      ASP   1  12.686   9.960  -8.597
    5    H    ASN   2           HN       ASN   2  10.024   7.545  -6.412
    6    HA   ASN   2           HA       ASN   2  11.853   6.900  -4.384
    7    HB2  ASN   2           HB2      ASN   2   9.786   5.180  -5.756
    8    HB3  ASN   2           HB1      ASN   2  10.669   4.699  -4.313
    9   HD21  ASN   2          HD21      ASN   2   9.560   4.955  -2.532
   10   HD22  ASN   2          HD22      ASN   2   8.390   6.189  -2.221
   11    H    GLN   3           HN       GLN   3  12.075   6.291  -7.751
   12    HA   GLN   3           HA       GLN   3  13.778   3.961  -7.381
   13    HB2  GLN   3           HB2      GLN   3  12.124   3.995  -9.209
   14    HB3  GLN   3           HB1      GLN   3  12.928   5.392  -9.910
   15    HG2  GLN   3           HG2      GLN   3  14.951   4.032 -10.236
   16    HG3  GLN   3           HG1      GLN   3  14.088   2.633  -9.599
   17   HE21  GLN   3          HE21      GLN   3  13.368   1.330 -11.108
   18   HE22  GLN   3          HE22      GLN   3  12.847   1.787 -12.694
   19    H    LYS   4           HN       LYS   4  14.180   7.330  -7.546
   20    HA   LYS   4           HA       LYS   4  16.976   7.011  -8.381
   21    HB2  LYS   4           HB2      LYS   4  15.677   8.551  -9.800
   22    HB3  LYS   4           HB1      LYS   4  15.238   9.492  -8.381
   23    HG2  LYS   4           HG2      LYS   4  17.598  10.047  -8.027
   24    HG3  LYS   4           HG1      LYS   4  18.020   9.126  -9.473
   25    HD2  LYS   4           HD2      LYS   4  16.676  10.624 -10.841
   26    HD3  LYS   4           HD1      LYS   4  16.190  11.527  -9.403
   27    HE2  LYS   4           HE2      LYS   4  18.995  11.243 -10.480
   28    HE3  LYS   4           HE1      LYS   4  17.979  12.682 -10.579
   29    HZ1  LYS   4           HZ1      LYS   4  18.030  12.040  -7.907
   30    HZ2  LYS   4           HZ2      LYS   4  18.900  13.290  -8.663
   31    HZ3  LYS   4           HZ3      LYS   4  19.625  11.772  -8.430
   32    H    ALA   5           HN       ALA   5  14.758   8.224  -5.980
   33    HA   ALA   5           HA       ALA   5  17.022   9.034  -4.355
   34    HB1  ALA   5           HB1      ALA   5  15.760  10.841  -4.027
   35    HB2  ALA   5           HB2      ALA   5  14.779   9.826  -2.969
   36    HB3  ALA   5           HB3      ALA   5  14.322  10.040  -4.659
   37    H    LEU   6           HN       LEU   6  16.602   8.738  -1.919
   38    HA   LEU   6           HA       LEU   6  16.117   5.919  -1.461
   39    HB2  LEU   6           HB2      LEU   6  16.892   6.502   0.885
   40    HB3  LEU   6           HB1      LEU   6  18.063   6.659  -0.407
   41    HG   LEU   6           HG       LEU   6  17.653   9.126  -0.409
   42   HD11  LEU   6          HD11      LEU   6  15.484   8.439   1.267
   43   HD12  LEU   6          HD12      LEU   6  15.981  10.037   0.709
   44   HD13  LEU   6          HD13      LEU   6  16.619   9.395   2.222
   45   HD21  LEU   6          HD21      LEU   6  19.575   8.293   0.714
   46   HD22  LEU   6          HD22      LEU   6  18.622   7.824   2.121
   47   HD23  LEU   6          HD23      LEU   6  18.848   9.531   1.739
   48    H    GLU   7           HN       GLU   7  13.945   7.792  -2.092
   49    HA   GLU   7           HA       GLU   7  12.353   8.688  -0.119
   50    HB2  GLU   7           HB2      GLU   7  11.443   7.199  -2.578
   51    HB3  GLU   7           HB1      GLU   7  10.428   8.240  -1.593
   52    HG2  GLU   7           HG2      GLU   7  12.875   9.124  -3.103
   53    HG3  GLU   7           HG1      GLU   7  11.206   9.339  -3.633
   54    H    GLU   8           HN       GLU   8  12.682   5.264  -0.993
   55    HA   GLU   8           HA       GLU   8  10.376   4.349   0.280
   56    HB2  GLU   8           HB2      GLU   8  12.979   2.857  -0.086
   57    HB3  GLU   8           HB1      GLU   8  11.403   2.139   0.200
   58    HG2  GLU   8           HG2      GLU   8  10.621   3.020  -1.948
   59    HG3  GLU   8           HG1      GLU   8  12.218   3.712  -2.235
   60    H    GLN   9           HN       GLN   9  13.406   5.348   1.578
   61    HA   GLN   9           HA       GLN   9  12.925   3.976   4.110
   62    HB2  GLN   9           HB2      GLN   9  15.294   5.698   3.403
   63    HB3  GLN   9           HB1      GLN   9  15.189   4.461   4.643
   64    HG2  GLN   9           HG2      GLN   9  15.245   4.054   1.667
   65    HG3  GLN   9           HG1      GLN   9  16.498   3.631   2.831
   66   HE21  GLN   9          HE21      GLN   9  14.077   2.457   0.992
   67   HE22  GLN   9          HE22      GLN   9  13.741   0.990   1.857
   68    H    MET  10           HN       MET  10  11.993   6.891   2.827
   69    HA   MET  10           HA       MET  10  12.671   8.388   5.253
   70    HB2  MET  10           HB2      MET  10  13.403   9.319   3.109
   71    HB3  MET  10           HB1      MET  10  11.733   9.402   2.566
   72    HG2  MET  10           HG2      MET  10  11.223  11.022   4.297
   73    HG3  MET  10           HG1      MET  10  12.866  10.898   4.922
   74    HE1  MET  10           HE1      MET  10  11.351  12.858   1.134
   75    HE2  MET  10           HE2      MET  10  10.779  11.367   1.882
   76    HE3  MET  10           HE3      MET  10  12.142  11.325   0.763
   77    H    ASN  11           HN       ASN  11   9.903   8.884   3.053
   78    HA   ASN  11           HA       ASN  11   8.185   8.978   5.456
   79    HB2  ASN  11           HB2      ASN  11   7.407   9.943   2.697
   80    HB3  ASN  11           HB1      ASN  11   6.562  10.212   4.212
   81   HD21  ASN  11          HD21      ASN  11   8.348  11.736   2.013
   82   HD22  ASN  11          HD22      ASN  11   9.078  12.954   2.999
   83    H    SER  12           HN       SER  12   8.804   7.624   2.420
   84    HA   SER  12           HA       SER  12   6.941   6.569   1.170
   85    HB2  SER  12           HB2      SER  12   9.206   5.787   0.921
   86    HB3  SER  12           HB1      SER  12   9.078   4.857   2.426
   87    HG   SER  12           HG       SER  12   8.459   3.296   1.139
   88    H    ILE  13           HN       ILE  13   7.866   4.532   3.895
   89    HA   ILE  13           HA       ILE  13   5.571   2.907   3.666
   90    HB   ILE  13           HB       ILE  13   7.660   3.141   5.820
   91   HG12  ILE  13          HG12      ILE  13   7.445   1.347   3.410
   92   HG13  ILE  13          HG11      ILE  13   8.555   2.719   3.641
   93   HG21  ILE  13          HG21      ILE  13   6.812   1.342   6.901
   94   HG22  ILE  13          HG22      ILE  13   6.381   0.531   5.396
   95   HG23  ILE  13          HG23      ILE  13   5.310   1.759   6.073
   96   HD11  ILE  13          HD11      ILE  13   8.561   0.415   5.550
   97   HD12  ILE  13          HD12      ILE  13   9.851   1.557   5.168
   98   HD13  ILE  13          HD13      ILE  13   9.411   0.303   4.007
   99    H    ASN  14           HN       ASN  14   6.048   5.824   5.180
  100    HA   ASN  14           HA       ASN  14   3.778   5.428   7.023
  101    HB2  ASN  14           HB2      ASN  14   5.656   7.782   6.740
  102    HB3  ASN  14           HB1      ASN  14   4.299   7.703   7.861
  103   HD21  ASN  14          HD21      ASN  14   7.520   7.387   7.664
  104   HD22  ASN  14          HD22      ASN  14   7.800   6.305   8.984
  105    H    SER  15           HN       SER  15   4.876   7.607   4.445
  106    HA   SER  15           HA       SER  15   2.468   8.990   4.138
  107    HB2  SER  15           HB2      SER  15   3.346   9.730   1.976
  108    HB3  SER  15           HB1      SER  15   4.548   9.881   3.262
  109    HG   SER  15           HG       SER  15   4.912   7.489   2.289
  110    H    VAL  16           HN       VAL  16   3.490   5.863   3.011
  111    HA   VAL  16           HA       VAL  16   1.799   5.461   0.818
  112    HB   VAL  16           HB       VAL  16   3.505   3.790   1.518
  113   HG11  VAL  16          HG11      VAL  16   3.018   4.007   3.971
  114   HG12  VAL  16          HG12      VAL  16   3.257   2.365   3.372
  115   HG13  VAL  16          HG13      VAL  16   1.628   2.955   3.703
  116   HG21  VAL  16          HG21      VAL  16   0.649   2.893   1.241
  117   HG22  VAL  16          HG22      VAL  16   1.959   1.725   1.413
  118   HG23  VAL  16          HG23      VAL  16   1.956   2.844   0.049
  119    H    ASN  17           HN       ASN  17   1.227   5.350   4.252
  120    HA   ASN  17           HA       ASN  17  -1.443   4.361   4.020
  121    HB2  ASN  17           HB2      ASN  17  -0.023   5.607   6.383
  122    HB3  ASN  17           HB1      ASN  17  -1.553   4.731   6.441
  123   HD21  ASN  17          HD21      ASN  17   1.400   4.326   7.377
  124   HD22  ASN  17          HD22      ASN  17   1.680   2.663   7.002
  125    H    ASP  18           HN       ASP  18   0.066   7.452   3.921
  126    HA   ASP  18           HA       ASP  18  -2.190   9.013   4.657
  127    HB2  ASP  18           HB2      ASP  18   0.349   9.548   3.138
  128    HB3  ASP  18           HB1      ASP  18  -0.881  10.779   3.283
  129    H    LYS  19           HN       LYS  19  -1.493   7.189   1.841
  130    HA   LYS  19           HA       LYS  19  -3.472   8.688   0.238
  131    HB2  LYS  19           HB2      LYS  19  -1.858   6.241  -0.499
  132    HB3  LYS  19           HB1      LYS  19  -3.062   6.994  -1.527
  133    HG2  LYS  19           HG2      LYS  19  -0.932   7.701  -2.293
  134    HG3  LYS  19           HG1      LYS  19  -1.717   9.091  -1.526
  135    HD2  LYS  19           HD2      LYS  19   0.512   9.150  -0.804
  136    HD3  LYS  19           HD1      LYS  19  -0.387   8.451   0.546
  137    HE2  LYS  19           HE2      LYS  19   1.628   7.190   0.232
  138    HE3  LYS  19           HE1      LYS  19   0.250   6.198  -0.241
  139    HZ1  LYS  19           HZ1      LYS  19   0.727   6.848  -2.585
  140    HZ2  LYS  19           HZ2      LYS  19   1.966   5.943  -1.854
  141    HZ3  LYS  19           HZ3      LYS  19   2.143   7.615  -2.046
  142    H    LEU  20           HN       LEU  20  -2.783   5.628   1.693
  143    HA   LEU  20           HA       LEU  20  -5.080   4.270   0.956
  144    HB2  LEU  20           HB2      LEU  20  -3.393   4.043   3.433
  145    HB3  LEU  20           HB1      LEU  20  -4.484   2.797   2.841
  146    HG   LEU  20           HG       LEU  20  -2.030   3.791   1.381
  147   HD11  LEU  20          HD11      LEU  20  -2.170   2.058   3.547
  148   HD12  LEU  20          HD12      LEU  20  -0.824   2.253   2.424
  149   HD13  LEU  20          HD13      LEU  20  -2.041   1.010   2.134
  150   HD21  LEU  20          HD21      LEU  20  -2.563   2.456  -0.366
  151   HD22  LEU  20          HD22      LEU  20  -4.202   2.777   0.201
  152   HD23  LEU  20          HD23      LEU  20  -3.392   1.275   0.646
  153    H    ASN  21           HN       ASN  21  -4.275   6.246   3.713
  154    HA   ASN  21           HA       ASN  21  -6.805   5.976   5.018
  155    HB2  ASN  21           HB2      ASN  21  -4.304   7.561   5.501
  156    HB3  ASN  21           HB1      ASN  21  -5.760   7.945   6.413
  157   HD21  ASN  21          HD21      ASN  21  -2.956   6.307   6.541
  158   HD22  ASN  21          HD22      ASN  21  -3.389   5.052   7.670
  159    H    LYS  22           HN       LYS  22  -8.527   6.887   3.841
  160    HA   LYS  22           HA       LYS  22  -8.023   9.667   2.962
  161    HB2  LYS  22           HB2      LYS  22  -9.456   7.475   1.508
  162    HB3  LYS  22           HB1      LYS  22  -9.755   9.179   1.129
  163    HG2  LYS  22           HG2      LYS  22  -7.399   9.502   0.632
  164    HG3  LYS  22           HG1      LYS  22  -7.056   7.828   1.070
  165    HD2  LYS  22           HD2      LYS  22  -8.397   7.031  -0.760
  166    HD3  LYS  22           HD1      LYS  22  -8.896   8.675  -1.167
  167    HE2  LYS  22           HE2      LYS  22  -6.598   9.242  -1.732
  168    HE3  LYS  22           HE1      LYS  22  -6.061   7.635  -1.240
  169    HZ1  LYS  22           HZ1      LYS  22  -7.986   8.158  -3.449
  170    HZ2  LYS  22           HZ2      LYS  22  -7.298   6.667  -3.027
  171    HZ3  LYS  22           HZ3      LYS  22  -6.323   7.892  -3.668
  172    H    GLY  23           HN       GLY  23 -10.632   7.551   4.152
  173    HA2  GLY  23           HA2      GLY  23 -11.760   9.467   5.753
  174    HA3  GLY  23           HA1      GLY  23 -12.522   9.636   4.162
  175    H    LYS  24           HN       LYS  24 -13.882   8.024   3.399
  176    HA   LYS  24           HA       LYS  24 -15.586   6.736   5.142
  177    HB2  LYS  24           HB2      LYS  24 -15.861   7.049   2.640
  178    HB3  LYS  24           HB1      LYS  24 -14.798   5.646   2.423
  179    HG2  LYS  24           HG2      LYS  24 -17.061   4.944   2.166
  180    HG3  LYS  24           HG1      LYS  24 -16.444   4.281   3.685
  181    HD2  LYS  24           HD2      LYS  24 -17.676   5.821   4.974
  182    HD3  LYS  24           HD1      LYS  24 -17.994   6.857   3.579
  183    HE2  LYS  24           HE2      LYS  24 -19.971   5.549   4.272
  184    HE3  LYS  24           HE1      LYS  24 -19.458   5.212   2.619
  185    HZ1  LYS  24           HZ1      LYS  24 -20.080   3.245   4.056
  186    HZ2  LYS  24           HZ2      LYS  24 -18.633   3.508   4.896
  187    HZ3  LYS  24           HZ3      LYS  24 -18.589   3.137   3.242
  188    H    GLY  25           HN       GLY  25 -12.865   5.358   3.364
  189    HA2  GLY  25           HA2      GLY  25 -12.365   3.541   5.571
  190    HA3  GLY  25           HA1      GLY  25 -12.552   2.839   3.993
  191    H    LYS  26           HN       LYS  26 -10.339   2.703   5.691
  192    HA   LYS  26           HA       LYS  26  -8.297   4.099   4.085
  193    HB2  LYS  26           HB2      LYS  26  -7.293   4.530   6.419
  194    HB3  LYS  26           HB1      LYS  26  -8.619   5.553   5.844
  195    HG2  LYS  26           HG2      LYS  26 -10.145   3.925   6.928
  196    HG3  LYS  26           HG1      LYS  26  -8.729   3.227   7.721
  197    HD2  LYS  26           HD2      LYS  26  -9.838   4.824   9.208
  198    HD3  LYS  26           HD1      LYS  26  -8.237   5.404   8.747
  199    HE2  LYS  26           HE2      LYS  26 -10.668   6.234   7.211
  200    HE3  LYS  26           HE1      LYS  26 -10.233   7.060   8.717
  201    HZ1  LYS  26           HZ1      LYS  26  -8.564   6.837   6.272
  202    HZ2  LYS  26           HZ2      LYS  26  -8.038   7.526   7.727
  203    HZ3  LYS  26           HZ3      LYS  26  -9.313   8.240   6.860
  204    H    LEU  27           HN       LEU  27  -6.102   3.350   4.509
  205    HA   LEU  27           HA       LEU  27  -5.950   0.620   5.547
  206    HB2  LEU  27           HB2      LEU  27  -6.218   0.359   3.243
  207    HB3  LEU  27           HB1      LEU  27  -5.018   1.612   2.875
  208    HG   LEU  27           HG       LEU  27  -3.248   0.151   3.749
  209   HD11  LEU  27          HD11      LEU  27  -3.593  -1.917   4.667
  210   HD12  LEU  27          HD12      LEU  27  -5.068  -2.204   3.742
  211   HD13  LEU  27          HD13      LEU  27  -5.105  -1.153   5.159
  212   HD21  LEU  27          HD21      LEU  27  -4.417   0.052   1.331
  213   HD22  LEU  27          HD22      LEU  27  -4.620  -1.627   1.831
  214   HD23  LEU  27          HD23      LEU  27  -3.009  -0.915   1.771
  215    H    SER  28           HN       SER  28  -3.882  -0.045   6.219
  216    HA   SER  28           HA       SER  28  -1.777   1.977   6.463
  217    HB2  SER  28           HB2      SER  28  -3.244   1.929   8.569
  218    HB3  SER  28           HB1      SER  28  -2.702   0.257   8.780
  219    HG   SER  28           HG       SER  28  -1.016   1.061   9.722
  220    H    LEU  29           HN       LEU  29   0.329   0.977   6.841
  221    HA   LEU  29           HA       LEU  29   0.321  -1.941   6.542
  222    HB2  LEU  29           HB2      LEU  29   2.252  -0.182   5.042
  223    HB3  LEU  29           HB1      LEU  29   2.022  -1.947   4.924
  224    HG   LEU  29           HG       LEU  29  -0.125   0.019   4.154
  225   HD11  LEU  29          HD11      LEU  29   2.240  -0.016   2.883
  226   HD12  LEU  29          HD12      LEU  29   0.705   0.214   2.043
  227   HD13  LEU  29          HD13      LEU  29   1.461  -1.379   2.077
  228   HD21  LEU  29          HD21      LEU  29  -1.249  -1.924   4.199
  229   HD22  LEU  29          HD22      LEU  29   0.221  -2.899   4.128
  230   HD23  LEU  29          HD23      LEU  29  -0.449  -2.203   2.652
  231    H    SER  30           HN       SER  30   2.343  -2.948   7.181
  232    HA   SER  30           HA       SER  30   4.382  -1.408   8.462
  233    HB2  SER  30           HB2      SER  30   2.681  -1.409  10.264
  234    HB3  SER  30           HB1      SER  30   2.627  -3.170  10.208
  235    HG   SER  30           HG       SER  30   4.178  -1.745  11.714
  236    H    MET  31           HN       MET  31   5.788  -3.224   9.797
  237    HA   MET  31           HA       MET  31   5.685  -5.785   8.458
  238    HB2  MET  31           HB2      MET  31   7.997  -5.756   7.682
  239    HB3  MET  31           HB1      MET  31   7.024  -4.512   6.868
  240    HG2  MET  31           HG2      MET  31   8.872  -3.974   9.192
  241    HG3  MET  31           HG1      MET  31   9.328  -3.796   7.500
  242    HE1  MET  31           HE1      MET  31   8.145  -2.131   5.839
  243    HE2  MET  31           HE2      MET  31   6.951  -0.924   6.316
  244    HE3  MET  31           HE3      MET  31   6.517  -2.634   6.300
  245    H    ASN  32           HN       ASN  32   7.300  -7.295   9.321
  246    HA   ASN  32           HA       ASN  32   8.537  -6.548  11.845
  247    HB2  ASN  32           HB2      ASN  32   6.288  -7.424  12.475
  248    HB3  ASN  32           HB1      ASN  32   6.672  -8.931  11.624
  249   HD21  ASN  32          HD21      ASN  32   7.203 -10.492  12.949
  250   HD22  ASN  32          HD22      ASN  32   8.089 -10.322  14.437
  251    H    GLY  33           HN       GLY  33  10.473  -6.804  10.693
  252    HA2  GLY  33           HA2      GLY  33  12.342  -8.071  10.042
  253    HA3  GLY  33           HA1      GLY  33  11.399  -9.547  10.361
  254    H    ASN  34           HN       ASN  34  10.872 -10.683   8.629
  255    HA   ASN  34           HA       ASN  34  10.840  -9.363   6.010
  256    HB2  ASN  34           HB2      ASN  34  10.908 -12.288   6.767
  257    HB3  ASN  34           HB1      ASN  34  10.767 -11.704   5.110
  258   HD21  ASN  34          HD21      ASN  34  12.876 -12.671   7.478
  259   HD22  ASN  34          HD22      ASN  34  14.345 -12.021   6.806
  260    H    GLN  35           HN       GLN  35   8.735  -9.282   8.174
  261    HA   GLN  35           HA       GLN  35   6.472 -10.550   6.861
  262    HB2  GLN  35           HB2      GLN  35   6.821  -9.070   9.437
  263    HB3  GLN  35           HB1      GLN  35   5.217  -9.301   8.759
  264    HG2  GLN  35           HG2      GLN  35   7.156 -11.513   9.329
  265    HG3  GLN  35           HG1      GLN  35   5.887 -11.004  10.443
  266   HE21  GLN  35          HE21      GLN  35   4.149 -12.221  10.361
  267   HE22  GLN  35          HE22      GLN  35   3.554 -13.074   8.965
  268    H    LEU  36           HN       LEU  36   4.662  -9.451   6.200
  269    HA   LEU  36           HA       LEU  36   4.919  -6.581   5.801
  270    HB2  LEU  36           HB2      LEU  36   5.686  -7.353   3.776
  271    HB3  LEU  36           HB1      LEU  36   4.476  -8.628   3.657
  272    HG   LEU  36           HG       LEU  36   4.205  -6.777   1.998
  273   HD11  LEU  36          HD11      LEU  36   1.753  -6.397   3.525
  274   HD12  LEU  36          HD12      LEU  36   2.238  -8.087   3.396
  275   HD13  LEU  36          HD13      LEU  36   2.008  -7.122   1.938
  276   HD21  LEU  36          HD21      LEU  36   2.920  -4.875   3.720
  277   HD22  LEU  36          HD22      LEU  36   4.243  -4.637   2.575
  278   HD23  LEU  36          HD23      LEU  36   4.591  -5.114   4.236
  279    H    LYS  37           HN       LYS  37   3.306  -5.625   6.619
  280    HA   LYS  37           HA       LYS  37   0.810  -7.100   6.999
  281    HB2  LYS  37           HB2      LYS  37   2.109  -5.030   8.771
  282    HB3  LYS  37           HB1      LYS  37   0.672  -6.003   9.159
  283    HG2  LYS  37           HG2      LYS  37   3.435  -7.083   8.616
  284    HG3  LYS  37           HG1      LYS  37   2.725  -6.847  10.230
  285    HD2  LYS  37           HD2      LYS  37   1.686  -8.688   8.065
  286    HD3  LYS  37           HD1      LYS  37   2.562  -9.146   9.480
  287    HE2  LYS  37           HE2      LYS  37  -0.171  -7.921   9.421
  288    HE3  LYS  37           HE1      LYS  37   0.222  -9.589   9.817
  289    HZ1  LYS  37           HZ1      LYS  37   1.696  -8.403  11.632
  290    HZ2  LYS  37           HZ2      LYS  37   0.048  -8.731  11.896
  291    HZ3  LYS  37           HZ3      LYS  37   0.537  -7.172  11.434
  292    H    ALA  38           HN       ALA  38  -1.030  -5.987   7.313
  293    HA   ALA  38           HA       ALA  38  -1.225  -3.198   6.513
  294    HB1  ALA  38           HB1      ALA  38  -3.117  -4.987   5.103
  295    HB2  ALA  38           HB2      ALA  38  -1.456  -4.930   4.505
  296    HB3  ALA  38           HB3      ALA  38  -2.412  -3.451   4.598
  297    H    THR  39           HN       THR  39  -3.158  -2.227   7.050
  298    HA   THR  39           HA       THR  39  -5.208  -3.759   8.415
  299    HB   THR  39           HB       THR  39  -5.208  -2.023  10.288
  300    HG1  THR  39           HG1      THR  39  -2.526  -1.636   9.458
  301   HG21  THR  39          HG21      THR  39  -3.437  -4.313  10.010
  302   HG22  THR  39          HG22      THR  39  -4.469  -3.827  11.355
  303   HG23  THR  39          HG23      THR  39  -2.865  -3.118  11.176
  304    H    SER  40           HN       SER  40  -7.208  -2.857   8.164
  305    HA   SER  40           HA       SER  40  -7.369  -0.216   6.800
  306    HB2  SER  40           HB2      SER  40  -9.681  -0.933   6.211
  307    HB3  SER  40           HB1      SER  40  -8.425  -1.928   5.469
  308    HG   SER  40           HG       SER  40  -9.483  -2.723   7.944
  309    H    SER  41           HN       SER  41  -8.171   1.352   7.988
  310    HA   SER  41           HA       SER  41  -9.273   0.607  10.596
  311    HB2  SER  41           HB2      SER  41  -7.559   2.375  10.615
  312    HB3  SER  41           HB1      SER  41  -8.524   3.341   9.502
  313    HG   SER  41           HG       SER  41  -9.330   2.549  12.120
  314    H    ASN  42           HN       ASN  42 -11.250   1.770  11.262
  315    HA   ASN  42           HA       ASN  42 -13.462   2.026  11.114
  316    HB2  ASN  42           HB2      ASN  42 -14.580   3.105   9.263
  317    HB3  ASN  42           HB1      ASN  42 -13.038   3.947   9.629
  318   HD21  ASN  42          HD21      ASN  42 -12.020   4.601   8.063
  319   HD22  ASN  42          HD22      ASN  42 -11.968   3.903   6.467
  320    H    ALA  43           HN       ALA  43 -11.774  -0.263   9.813
  321    HA   ALA  43           HA       ALA  43 -12.147  -2.428   9.253
  322    HB1  ALA  43           HB1      ALA  43 -13.864  -1.568  11.376
  323    HB2  ALA  43           HB2      ALA  43 -12.955  -3.068  11.191
  324    HB3  ALA  43           HB3      ALA  43 -14.574  -2.927  10.506
  325    H    GLY  44           HN       GLY  44 -12.713  -1.593   6.851
  326    HA2  GLY  44           HA2      GLY  44 -13.774  -3.286   5.433
  327    HA3  GLY  44           HA1      GLY  44 -15.255  -2.927   6.355
  328    H    TYR  45           HN       TYR  45 -14.439   0.036   6.026
  329    HA   TYR  45           HA       TYR  45 -16.125   0.378   3.737
  330    HB2  TYR  45           HB2      TYR  45 -14.624   2.419   5.403
  331    HB3  TYR  45           HB1      TYR  45 -15.809   2.806   4.141
  332    HD1  TYR  45           HD1      TYR  45 -16.886   4.143   6.008
  333    HD2  TYR  45           HD2      TYR  45 -16.654  -0.106   6.107
  334    HE1  TYR  45           HE1      TYR  45 -18.695   4.088   7.660
  335    HE2  TYR  45           HE2      TYR  45 -18.459  -0.169   7.772
  336    HH   TYR  45           HH       TYR  45 -19.321   1.695   9.614
  337    H    GLY  46           HN       GLY  46 -15.598   1.632   1.845
  338    HA2  GLY  46           HA2      GLY  46 -12.769   1.380   1.018
  339    HA3  GLY  46           HA1      GLY  46 -14.141   1.612  -0.078
  340    H    ILE  47           HN       ILE  47 -12.477   3.378  -0.762
  341    HA   ILE  47           HA       ILE  47 -11.860   5.671   0.628
  342    HB   ILE  47           HB       ILE  47 -12.935   5.638  -2.159
  343   HG12  ILE  47          HG12      ILE  47 -11.249   3.933  -1.925
  344   HG13  ILE  47          HG11      ILE  47 -10.657   5.306  -2.858
  345   HG21  ILE  47          HG21      ILE  47 -12.452   7.813  -2.138
  346   HG22  ILE  47          HG22      ILE  47 -10.756   7.400  -1.878
  347   HG23  ILE  47          HG23      ILE  47 -11.816   7.688  -0.498
  348   HD11  ILE  47          HD11      ILE  47  -8.966   4.446  -1.319
  349   HD12  ILE  47          HD12      ILE  47 -10.052   4.760   0.034
  350   HD13  ILE  47          HD13      ILE  47  -9.421   6.104  -0.920
  351    H    SER  48           HN       SER  48 -14.581   5.123  -1.432
  352    HA   SER  48           HA       SER  48 -16.608   6.363   0.092
  353    HB2  SER  48           HB2      SER  48 -16.834   8.449  -1.227
  354    HB3  SER  48           HB1      SER  48 -15.271   8.381  -0.377
  355    HG   SER  48           HG       SER  48 -15.169   9.042  -2.634
  356    H    TYR  49           HN       TYR  49 -17.802   7.486  -2.461
  357    HA   TYR  49           HA       TYR  49 -18.273   4.919  -3.817
  358    HB2  TYR  49           HB2      TYR  49 -19.855   7.490  -3.854
  359    HB3  TYR  49           HB1      TYR  49 -20.089   6.195  -5.032
  360    HD1  TYR  49           HD1      TYR  49 -22.384   5.464  -4.423
  361    HD2  TYR  49           HD2      TYR  49 -19.389   5.842  -1.392
  362    HE1  TYR  49           HE1      TYR  49 -23.861   4.374  -2.816
  363    HE2  TYR  49           HE2      TYR  49 -20.888   4.748   0.211
  364    HH   TYR  49           HH       TYR  49 -24.186   3.791  -0.694
  365    H    GLU  50           HN       GLU  50 -16.095   5.155  -4.640
  366    HA   GLU  50           HA       GLU  50 -16.097   6.678  -7.120
  367    HB2  GLU  50           HB2      GLU  50 -14.010   6.871  -4.972
  368    HB3  GLU  50           HB1      GLU  50 -13.651   7.273  -6.639
  369    HG2  GLU  50           HG2      GLU  50 -15.676   8.599  -4.852
  370    HG3  GLU  50           HG1      GLU  50 -14.116   9.232  -5.378
  371    H    ASP  51           HN       ASP  51 -13.647   6.204  -8.072
  372    HA   ASP  51           HA       ASP  51 -13.075   3.363  -7.686
  373    HB2  ASP  51           HB2      ASP  51 -13.088   4.496 -10.479
  374    HB3  ASP  51           HB1      ASP  51 -12.936   2.804  -9.974
  375    H    LYS  52           HN       LYS  52 -11.019   3.140  -7.167
  376    HA   LYS  52           HA       LYS  52  -9.048   4.872  -8.394
  377    HB2  LYS  52           HB2      LYS  52  -8.114   4.643  -5.805
  378    HB3  LYS  52           HB1      LYS  52  -8.718   6.092  -6.576
  379    HG2  LYS  52           HG2      LYS  52 -10.403   4.157  -5.059
  380    HG3  LYS  52           HG1      LYS  52  -9.663   5.573  -4.341
  381    HD2  LYS  52           HD2      LYS  52 -11.764   5.518  -6.513
  382    HD3  LYS  52           HD1      LYS  52 -12.009   5.954  -4.824
  383    HE2  LYS  52           HE2      LYS  52 -11.917   7.983  -6.068
  384    HE3  LYS  52           HE1      LYS  52 -10.422   7.862  -5.146
  385    HZ1  LYS  52           HZ1      LYS  52 -10.414   6.835  -7.888
  386    HZ2  LYS  52           HZ2      LYS  52  -9.183   7.616  -7.019
  387    HZ3  LYS  52           HZ3      LYS  52 -10.456   8.517  -7.684
  388    H    ASN  53           HN       ASN  53  -7.257   3.870  -9.012
  389    HA   ASN  53           HA       ASN  53  -7.014   1.065  -8.177
  390    HB2  ASN  53           HB2      ASN  53  -6.156   2.436 -10.726
  391    HB3  ASN  53           HB1      ASN  53  -5.714   0.770 -10.310
  392   HD21  ASN  53          HD21      ASN  53  -8.733   1.319  -9.039
  393   HD22  ASN  53          HD22      ASN  53  -9.677   0.675 -10.353
  394    H    TRP  54           HN       TRP  54  -5.116   0.195  -7.555
  395    HA   TRP  54           HA       TRP  54  -2.965   2.122  -7.051
  396    HB2  TRP  54           HB2      TRP  54  -4.434   0.389  -5.221
  397    HB3  TRP  54           HB1      TRP  54  -2.669   0.159  -5.130
  398    HD1  TRP  54           HD1      TRP  54  -4.993   3.310  -5.248
  399    HE1  TRP  54           HE1      TRP  54  -3.983   5.004  -3.581
  400    HE3  TRP  54           HE3      TRP  54  -1.070   0.552  -3.603
  401    HZ2  TRP  54           HZ2      TRP  54  -1.720   5.102  -1.857
  402    HZ3  TRP  54           HZ3      TRP  54   0.439   1.523  -1.954
  403    HH2  TRP  54           HH2      TRP  54   0.104   3.742  -1.077
  404    H    GLY  55           HN       GLY  55  -0.845   1.231  -6.700
  405    HA2  GLY  55           HA2      GLY  55  -0.463  -1.436  -7.829
  406    HA3  GLY  55           HA1      GLY  55   0.437  -0.102  -8.549
  407    H    ILE  56           HN       ILE  56   1.574  -2.280  -7.494
  408    HA   ILE  56           HA       ILE  56   3.287  -1.209  -5.355
  409    HB   ILE  56           HB       ILE  56   2.024  -3.977  -5.415
  410   HG12  ILE  56          HG12      ILE  56   1.916  -1.873  -3.243
  411   HG13  ILE  56          HG11      ILE  56   0.626  -2.115  -4.443
  412   HG21  ILE  56          HG21      ILE  56   4.197  -4.410  -4.720
  413   HG22  ILE  56          HG22      ILE  56   3.310  -4.214  -3.208
  414   HG23  ILE  56          HG23      ILE  56   4.313  -2.899  -3.818
  415   HD11  ILE  56          HD11      ILE  56  -0.188  -3.377  -2.740
  416   HD12  ILE  56          HD12      ILE  56   1.412  -3.763  -2.104
  417   HD13  ILE  56          HD13      ILE  56   0.805  -4.603  -3.532
  418    H    PHE  57           HN       PHE  57   5.178  -1.075  -6.498
  419    HA   PHE  57           HA       PHE  57   5.562  -3.056  -8.612
  420    HB2  PHE  57           HB2      PHE  57   6.995  -0.403  -8.317
  421    HB3  PHE  57           HB1      PHE  57   6.993  -1.473  -9.732
  422    HD1  PHE  57           HD1      PHE  57   4.709   0.585  -7.609
  423    HD2  PHE  57           HD2      PHE  57   5.443  -1.169 -11.416
  424    HE1  PHE  57           HE1      PHE  57   2.741   1.728  -8.502
  425    HE2  PHE  57           HE2      PHE  57   3.468  -0.017 -12.322
  426    HZ   PHE  57           HZ       PHE  57   2.104   1.425 -10.863
  427    H    VAL  58           HN       VAL  58   6.664  -4.732  -7.867
  428    HA   VAL  58           HA       VAL  58   9.168  -4.304  -6.391
  429    HB   VAL  58           HB       VAL  58   7.685  -6.875  -7.035
  430   HG11  VAL  58          HG11      VAL  58   9.335  -8.097  -6.032
  431   HG12  VAL  58          HG12      VAL  58   9.887  -6.744  -5.041
  432   HG13  VAL  58          HG13      VAL  58  10.312  -6.818  -6.754
  433   HG21  VAL  58          HG21      VAL  58   6.816  -5.176  -5.267
  434   HG22  VAL  58          HG22      VAL  58   8.157  -5.787  -4.295
  435   HG23  VAL  58          HG23      VAL  58   6.903  -6.891  -4.863
  436    H    ASN  59           HN       ASN  59  10.976  -4.139  -7.552
  437    HA   ASN  59           HA       ASN  59  12.501  -4.274  -9.234
  438    HB2  ASN  59           HB2      ASN  59  10.919  -6.729 -10.045
  439    HB3  ASN  59           HB1      ASN  59  12.437  -6.212 -10.817
  440   HD21  ASN  59          HD21      ASN  59  14.102  -7.313 -10.149
  441   HD22  ASN  59          HD22      ASN  59  14.348  -7.949  -8.558
  442    H    GLY  60           HN       GLY  60  10.231  -2.632  -9.445
  443    HA2  GLY  60           HA2      GLY  60   9.303  -1.177 -10.903
  444    HA3  GLY  60           HA1      GLY  60  10.550  -1.695 -12.051
  445    H    GLU  61           HN       GLU  61   8.031  -3.689 -10.684
  446    HA   GLU  61           HA       GLU  61   6.423  -3.408 -13.075
  447    HB2  GLU  61           HB2      GLU  61   6.075  -5.819 -13.267
  448    HB3  GLU  61           HB1      GLU  61   7.753  -5.395 -13.559
  449    HG2  GLU  61           HG2      GLU  61   8.323  -6.125 -11.302
  450    HG3  GLU  61           HG1      GLU  61   6.627  -6.538 -11.009
  451    H    LYS  62           HN       LYS  62   4.224  -3.712 -12.686
  452    HA   LYS  62           HA       LYS  62   3.462  -3.295  -9.960
  453    HB2  LYS  62           HB2      LYS  62   2.370  -2.301 -12.056
  454    HB3  LYS  62           HB1      LYS  62   1.607  -3.892 -12.279
  455    HG2  LYS  62           HG2      LYS  62   0.549  -3.666 -10.072
  456    HG3  LYS  62           HG1      LYS  62   1.271  -2.045  -9.912
  457    HD2  LYS  62           HD2      LYS  62  -0.727  -2.936 -12.003
  458    HD3  LYS  62           HD1      LYS  62  -1.060  -1.911 -10.617
  459    HE2  LYS  62           HE2      LYS  62  -0.901  -0.495 -12.515
  460    HE3  LYS  62           HE1      LYS  62   0.560  -0.243 -11.566
  461    HZ1  LYS  62           HZ1      LYS  62   0.605  -0.602 -14.170
  462    HZ2  LYS  62           HZ2      LYS  62   0.668  -2.233 -13.714
  463    HZ3  LYS  62           HZ3      LYS  62   1.865  -1.156 -13.178
  464    H    VAL  63           HN       VAL  63   3.786  -5.051  -8.698
  465    HA   VAL  63           HA       VAL  63   3.240  -7.683  -9.677
  466    HB   VAL  63           HB       VAL  63   5.187  -7.267  -8.351
  467   HG11  VAL  63          HG11      VAL  63   5.252  -6.497  -6.184
  468   HG12  VAL  63          HG12      VAL  63   3.590  -6.984  -5.851
  469   HG13  VAL  63          HG13      VAL  63   3.911  -5.565  -6.851
  470   HG21  VAL  63          HG21      VAL  63   5.164  -9.204  -7.056
  471   HG22  VAL  63          HG22      VAL  63   3.975  -9.491  -8.329
  472   HG23  VAL  63          HG23      VAL  63   3.441  -9.054  -6.706
  473    H    TYR  64           HN       TYR  64   1.686  -5.450  -7.454
  474    HA   TYR  64           HA       TYR  64  -0.636  -7.214  -7.489
  475    HB2  TYR  64           HB2      TYR  64   0.412  -7.605  -5.295
  476    HB3  TYR  64           HB1      TYR  64   0.339  -5.858  -4.965
  477    HD1  TYR  64           HD1      TYR  64  -1.173  -5.666  -3.161
  478    HD2  TYR  64           HD2      TYR  64  -2.233  -8.101  -6.486
  479    HE1  TYR  64           HE1      TYR  64  -3.426  -5.929  -2.240
  480    HE2  TYR  64           HE2      TYR  64  -4.494  -8.369  -5.567
  481    HH   TYR  64           HH       TYR  64  -5.368  -8.035  -2.688
  482    H    THR  65           HN       THR  65  -2.454  -6.202  -7.960
  483    HA   THR  65           HA       THR  65  -2.507  -3.277  -7.851
  484    HB   THR  65           HB       THR  65  -4.019  -5.023  -9.674
  485    HG1  THR  65           HG1      THR  65  -1.698  -4.965 -10.054
  486   HG21  THR  65          HG21      THR  65  -5.250  -3.089  -9.689
  487   HG22  THR  65          HG22      THR  65  -4.105  -2.801 -11.001
  488   HG23  THR  65          HG23      THR  65  -3.827  -2.080  -9.415
  489    H    PHE  66           HN       PHE  66  -3.768  -2.616  -6.186
  490    HA   PHE  66           HA       PHE  66  -6.268  -4.130  -5.797
  491    HB2  PHE  66           HB2      PHE  66  -6.319  -3.539  -3.460
  492    HB3  PHE  66           HB1      PHE  66  -4.840  -4.460  -3.857
  493    HD1  PHE  66           HD1      PHE  66  -6.055  -0.952  -3.324
  494    HD2  PHE  66           HD2      PHE  66  -2.803  -3.688  -3.068
  495    HE1  PHE  66           HE1      PHE  66  -4.736   0.741  -2.138
  496    HE2  PHE  66           HE2      PHE  66  -1.470  -1.991  -1.885
  497    HZ   PHE  66           HZ       PHE  66  -2.431   0.242  -1.418
  498    H    ASN  67           HN       ASN  67  -8.085  -3.051  -6.017
  499    HA   ASN  67           HA       ASN  67  -7.825  -0.201  -6.551
  500    HB2  ASN  67           HB2      ASN  67  -9.989  -0.460  -7.735
  501    HB3  ASN  67           HB1      ASN  67  -8.714  -1.468  -8.416
  502   HD21  ASN  67          HD21      ASN  67  -9.280  -3.456  -8.867
  503   HD22  ASN  67          HD22      ASN  67 -10.574  -4.345  -8.134
  504    H    GLU  68           HN       GLU  68  -9.018   1.277  -5.469
  505    HA   GLU  68           HA       GLU  68  -9.736   0.605  -2.831
  506    HB2  GLU  68           HB2      GLU  68 -10.339   3.133  -4.322
  507    HB3  GLU  68           HB1      GLU  68 -10.274   2.945  -2.593
  508    HG2  GLU  68           HG2      GLU  68  -7.960   2.658  -4.484
  509    HG3  GLU  68           HG1      GLU  68  -8.301   4.046  -3.435
  510    H    LYS  69           HN       LYS  69 -11.424   0.309  -5.664
  511    HA   LYS  69           HA       LYS  69 -14.131   0.711  -4.830
  512    HB2  LYS  69           HB2      LYS  69 -13.012  -1.307  -6.784
  513    HB3  LYS  69           HB1      LYS  69 -14.685  -0.709  -6.716
  514    HG2  LYS  69           HG2      LYS  69 -13.966   1.511  -7.317
  515    HG3  LYS  69           HG1      LYS  69 -12.269   0.973  -7.381
  516    HD2  LYS  69           HD2      LYS  69 -14.541   0.007  -9.138
  517    HD3  LYS  69           HD1      LYS  69 -13.253   1.113  -9.618
  518    HE2  LYS  69           HE2      LYS  69 -11.604  -0.676  -9.150
  519    HE3  LYS  69           HE1      LYS  69 -12.940  -1.773  -8.798
  520    HZ1  LYS  69           HZ1      LYS  69 -13.720  -1.075 -11.161
  521    HZ2  LYS  69           HZ2      LYS  69 -12.493  -2.235 -10.989
  522    HZ3  LYS  69           HZ3      LYS  69 -12.096  -0.632 -11.373
  523    H    SER  70           HN       SER  70 -11.732  -1.798  -4.778
  524    HA   SER  70           HA       SER  70 -13.276  -3.622  -3.210
  525    HB2  SER  70           HB2      SER  70 -11.413  -4.459  -4.618
  526    HB3  SER  70           HB1      SER  70 -10.279  -3.504  -3.608
  527    HG   SER  70           HG       SER  70 -10.298  -5.565  -2.785
  528    H    THR  71           HN       THR  71 -13.701  -3.211  -1.139
  529    HA   THR  71           HA       THR  71 -12.946  -0.899   0.178
  530    HB   THR  71           HB       THR  71 -13.730  -2.016   2.194
  531    HG1  THR  71           HG1      THR  71 -14.302  -4.151   2.185
  532   HG21  THR  71          HG21      THR  71 -15.889  -3.033   0.779
  533   HG22  THR  71          HG22      THR  71 -15.240  -1.742  -0.233
  534   HG23  THR  71          HG23      THR  71 -15.715  -1.404   1.432
  535    H    VAL  72           HN       VAL  72 -11.127  -0.279   1.261
  536    HA   VAL  72           HA       VAL  72  -8.813  -1.621   1.009
  537    HB   VAL  72           HB       VAL  72  -8.474   0.034   3.300
  538   HG11  VAL  72          HG11      VAL  72  -6.950  -0.567   1.342
  539   HG12  VAL  72          HG12      VAL  72  -6.943   1.119   1.862
  540   HG13  VAL  72          HG13      VAL  72  -7.832   0.647   0.412
  541   HG21  VAL  72          HG21      VAL  72  -9.349   2.139   2.481
  542   HG22  VAL  72          HG22      VAL  72 -10.701   1.010   2.502
  543   HG23  VAL  72          HG23      VAL  72  -9.892   1.403   0.965
  544    H    GLY  73           HN       GLY  73 -11.259  -2.306   3.132
  545    HA2  GLY  73           HA2      GLY  73  -9.761  -3.690   5.163
  546    HA3  GLY  73           HA1      GLY  73 -11.480  -3.765   4.845
  547    H    ASN  74           HN       ASN  74 -11.867  -4.667   2.469
  548    HA   ASN  74           HA       ASN  74 -11.204  -7.424   2.566
  549    HB2  ASN  74           HB2      ASN  74 -13.218  -6.601   1.419
  550    HB3  ASN  74           HB1      ASN  74 -12.201  -5.758   0.235
  551   HD21  ASN  74          HD21      ASN  74 -12.037  -6.768  -1.617
  552   HD22  ASN  74          HD22      ASN  74 -12.073  -8.494  -1.851
  553    H    ILE  75           HN       ILE  75  -9.612  -4.674   1.298
  554    HA   ILE  75           HA       ILE  75  -7.863  -6.112  -0.502
  555    HB   ILE  75           HB       ILE  75  -7.557  -3.417   0.747
  556   HG12  ILE  75          HG12      ILE  75  -8.478  -4.154  -2.068
  557   HG13  ILE  75          HG11      ILE  75  -9.511  -3.542  -0.745
  558   HG21  ILE  75          HG21      ILE  75  -5.399  -4.198   0.158
  559   HG22  ILE  75          HG22      ILE  75  -5.887  -3.027  -1.062
  560   HG23  ILE  75          HG23      ILE  75  -5.968  -4.754  -1.413
  561   HD11  ILE  75          HD11      ILE  75  -8.099  -2.075  -2.674
  562   HD12  ILE  75          HD12      ILE  75  -7.316  -1.757  -1.126
  563   HD13  ILE  75          HD13      ILE  75  -9.044  -1.470  -1.318
  564    H    SER  76           HN       SER  76  -7.676  -4.910   2.828
  565    HA   SER  76           HA       SER  76  -4.981  -5.792   3.153
  566    HB2  SER  76           HB2      SER  76  -5.680  -3.974   4.520
  567    HB3  SER  76           HB1      SER  76  -7.061  -4.886   5.150
  568    HG   SER  76           HG       SER  76  -4.947  -6.331   5.691
  569    H    ASN  77           HN       ASN  77  -8.012  -7.352   3.328
  570    HA   ASN  77           HA       ASN  77  -7.110  -9.596   4.882
  571    HB2  ASN  77           HB2      ASN  77  -9.339  -9.352   2.844
  572    HB3  ASN  77           HB1      ASN  77  -8.983 -10.829   3.746
  573   HD21  ASN  77          HD21      ASN  77 -11.017  -8.335   3.654
  574   HD22  ASN  77          HD22      ASN  77 -11.412  -8.184   5.335
  575    H    ASP  78           HN       ASP  78  -6.808  -8.403   1.653
  576    HA   ASP  78           HA       ASP  78  -5.610 -10.850   0.653
  577    HB2  ASP  78           HB2      ASP  78  -6.166  -8.166  -0.573
  578    HB3  ASP  78           HB1      ASP  78  -5.100  -9.335  -1.382
  579    H    ILE  79           HN       ILE  79  -4.495  -7.753   1.893
  580    HA   ILE  79           HA       ILE  79  -1.862  -8.095   0.872
  581    HB   ILE  79           HB       ILE  79  -2.596  -6.345   3.253
  582   HG12  ILE  79          HG12      ILE  79  -2.694  -5.718   0.277
  583   HG13  ILE  79          HG11      ILE  79  -4.116  -5.949   1.319
  584   HG21  ILE  79          HG21      ILE  79  -0.514  -5.896   1.119
  585   HG22  ILE  79          HG22      ILE  79  -0.165  -6.775   2.607
  586   HG23  ILE  79          HG23      ILE  79  -0.677  -5.087   2.675
  587   HD11  ILE  79          HD11      ILE  79  -3.342  -3.994   2.651
  588   HD12  ILE  79          HD12      ILE  79  -3.775  -3.615   0.983
  589   HD13  ILE  79          HD13      ILE  79  -2.077  -3.739   1.450
  590    H    ASN  80           HN       ASN  80  -3.542  -9.474   3.437
  591    HA   ASN  80           HA       ASN  80  -1.398 -10.154   5.172
  592    HB2  ASN  80           HB2      ASN  80  -4.110 -11.384   4.675
  593    HB3  ASN  80           HB1      ASN  80  -2.990 -11.975   5.883
  594   HD21  ASN  80          HD21      ASN  80  -2.351  -8.833   5.907
  595   HD22  ASN  80          HD22      ASN  80  -3.494  -8.284   7.097
  596    H    LYS  81           HN       LYS  81  -3.040 -11.879   2.501
  597    HA   LYS  81           HA       LYS  81  -1.230 -14.056   2.652
  598    HB2  LYS  81           HB2      LYS  81  -2.226 -14.741   0.427
  599    HB3  LYS  81           HB1      LYS  81  -3.318 -14.655   1.798
  600    HG2  LYS  81           HG2      LYS  81  -3.096 -12.248   0.103
  601    HG3  LYS  81           HG1      LYS  81  -3.938 -13.661  -0.569
  602    HD2  LYS  81           HD2      LYS  81  -4.535 -12.340   2.078
  603    HD3  LYS  81           HD1      LYS  81  -5.456 -12.103   0.591
  604    HE2  LYS  81           HE2      LYS  81  -5.103 -14.717   2.058
  605    HE3  LYS  81           HE1      LYS  81  -6.546 -13.703   2.093
  606    HZ1  LYS  81           HZ1      LYS  81  -7.240 -14.881   0.363
  607    HZ2  LYS  81           HZ2      LYS  81  -5.719 -15.611   0.131
  608    HZ3  LYS  81           HZ3      LYS  81  -6.055 -14.100  -0.571
  609    H    LEU  82           HN       LEU  82  -1.644 -11.536   0.138
  610    HA   LEU  82           HA       LEU  82   0.388 -12.123  -1.541
  611    HB2  LEU  82           HB2      LEU  82  -0.779  -9.557  -0.627
  612    HB3  LEU  82           HB1      LEU  82   0.600  -9.554  -1.742
  613    HG   LEU  82           HG       LEU  82  -1.586  -9.393  -2.846
  614   HD11  LEU  82          HD11      LEU  82   0.521 -10.485  -3.818
  615   HD12  LEU  82          HD12      LEU  82  -1.011 -10.702  -4.665
  616   HD13  LEU  82          HD13      LEU  82  -0.380 -11.991  -3.639
  617   HD21  LEU  82          HD21      LEU  82  -2.039 -12.192  -1.909
  618   HD22  LEU  82          HD22      LEU  82  -3.022 -11.332  -3.092
  619   HD23  LEU  82          HD23      LEU  82  -2.960 -10.766  -1.422
  620    H    ASN  83           HN       ASN  83   0.678 -10.595   1.584
  621    HA   ASN  83           HA       ASN  83   2.488  -9.617   2.678
  622    HB2  ASN  83           HB2      ASN  83   2.198 -11.999   3.374
  623    HB3  ASN  83           HB1      ASN  83   3.452 -12.447   2.213
  624   HD21  ASN  83          HD21      ASN  83   2.838 -11.720   5.365
  625   HD22  ASN  83          HD22      ASN  83   4.453 -11.343   5.882
  626    H    ILE  84           HN       ILE  84   3.075  -8.244   0.780
  627    HA   ILE  84           HA       ILE  84   5.390  -9.152  -0.695
  628    HB   ILE  84           HB       ILE  84   3.891  -6.558  -0.949
  629   HG12  ILE  84          HG12      ILE  84   3.673  -9.111  -2.571
  630   HG13  ILE  84          HG11      ILE  84   2.450  -8.492  -1.435
  631   HG21  ILE  84          HG21      ILE  84   5.798  -7.873  -2.876
  632   HG22  ILE  84          HG22      ILE  84   6.209  -6.524  -1.816
  633   HG23  ILE  84          HG23      ILE  84   4.996  -6.316  -3.080
  634   HD11  ILE  84          HD11      ILE  84   1.682  -6.976  -2.908
  635   HD12  ILE  84          HD12      ILE  84   2.382  -8.088  -4.085
  636   HD13  ILE  84          HD13      ILE  84   3.278  -6.653  -3.585
  637    H    LYS  85           HN       LYS  85   7.156  -9.095   0.601
  638    HA   LYS  85           HA       LYS  85   7.861  -6.464   1.730
  639    HB2  LYS  85           HB2      LYS  85   7.143  -8.456   3.316
  640    HB3  LYS  85           HB1      LYS  85   8.776  -9.022   2.994
  641    HG2  LYS  85           HG2      LYS  85   7.997  -6.385   4.208
  642    HG3  LYS  85           HG1      LYS  85   8.719  -7.760   5.045
  643    HD2  LYS  85           HD2      LYS  85  10.751  -7.540   3.770
  644    HD3  LYS  85           HD1      LYS  85  10.032  -6.267   2.779
  645    HE2  LYS  85           HE2      LYS  85  10.636  -6.133   5.735
  646    HE3  LYS  85           HE1      LYS  85  11.511  -5.323   4.435
  647    HZ1  LYS  85           HZ1      LYS  85   8.813  -4.739   5.461
  648    HZ2  LYS  85           HZ2      LYS  85   9.260  -4.258   3.899
  649    HZ3  LYS  85           HZ3      LYS  85  10.121  -3.682   5.248
  650    H    GLY  86           HN       GLY  86   9.185  -5.915   0.032
  651    HA2  GLY  86           HA2      GLY  86  11.220  -5.725  -1.021
  652    HA3  GLY  86           HA1      GLY  86  11.834  -6.978   0.078
  653    HA   PRO  87           HA       PRO  87  13.063  -5.981  -1.891
  654    HB2  PRO  87           HB2      PRO  87  14.365  -6.018  -4.194
  655    HB3  PRO  87           HB1      PRO  87  14.560  -7.324  -3.028
  656    HG2  PRO  87           HG2      PRO  87  13.003  -7.254  -5.566
  657    HG3  PRO  87           HG1      PRO  87  13.926  -8.589  -4.849
  658    HD2  PRO  87           HD2      PRO  87  11.122  -8.186  -4.643
  659    HD3  PRO  87           HD1      PRO  87  12.116  -9.344  -3.704
  660    H    TYR  88           HN       TYR  88  13.696  -4.004  -3.294
  661    HA   TYR  88           HA       TYR  88  12.608  -1.901  -3.558
  662    HB2  TYR  88           HB2      TYR  88  12.807  -3.141  -6.315
  663    HB3  TYR  88           HB1      TYR  88  12.841  -1.391  -5.918
  664    HD1  TYR  88           HD1      TYR  88  14.887  -0.345  -5.512
  665    HD2  TYR  88           HD2      TYR  88  14.675  -4.585  -5.367
  666    HE1  TYR  88           HE1      TYR  88  17.336  -0.456  -5.336
  667    HE2  TYR  88           HE2      TYR  88  17.120  -4.714  -5.168
  668    HH   TYR  88           HH       TYR  88  19.138  -2.372  -5.972
  669    H    ILE  89           HN       ILE  89  10.547  -1.723  -2.773
  670    HA   ILE  89           HA       ILE  89   8.359  -2.467  -4.604
  671    HB   ILE  89           HB       ILE  89   8.241  -1.980  -1.615
  672   HG12  ILE  89          HG12      ILE  89   7.986  -4.543  -3.224
  673   HG13  ILE  89          HG11      ILE  89   9.448  -4.106  -2.300
  674   HG21  ILE  89          HG21      ILE  89   6.207  -1.591  -3.270
  675   HG22  ILE  89          HG22      ILE  89   6.002  -2.337  -1.685
  676   HG23  ILE  89          HG23      ILE  89   6.087  -3.345  -3.128
  677   HD11  ILE  89          HD11      ILE  89   6.723  -4.360  -1.041
  678   HD12  ILE  89          HD12      ILE  89   8.302  -4.331  -0.254
  679   HD13  ILE  89          HD13      ILE  89   7.825  -5.726  -1.224
  680    H    GLU  90           HN       GLU  90   6.816  -1.023  -5.160
  681    HA   GLU  90           HA       GLU  90   6.961   1.677  -4.013
  682    HB2  GLU  90           HB2      GLU  90   8.006   1.767  -6.266
  683    HB3  GLU  90           HB1      GLU  90   6.510   1.110  -6.955
  684    HG2  GLU  90           HG2      GLU  90   5.294   3.089  -6.216
  685    HG3  GLU  90           HG1      GLU  90   6.779   3.750  -5.532
  686    H    ILE  91           HN       ILE  91   5.202   1.347  -2.729
  687    HA   ILE  91           HA       ILE  91   2.695   0.403  -3.905
  688    HB   ILE  91           HB       ILE  91   3.120   1.114  -1.005
  689   HG12  ILE  91          HG12      ILE  91   3.762  -1.524  -2.325
  690   HG13  ILE  91          HG11      ILE  91   4.934  -0.419  -1.617
  691   HG21  ILE  91          HG21      ILE  91   1.044   0.330  -0.789
  692   HG22  ILE  91          HG22      ILE  91   1.612  -1.241  -1.347
  693   HG23  ILE  91          HG23      ILE  91   0.997  -0.072  -2.514
  694   HD11  ILE  91          HD11      ILE  91   3.582  -2.529  -0.373
  695   HD12  ILE  91          HD12      ILE  91   2.901  -1.046   0.299
  696   HD13  ILE  91          HD13      ILE  91   4.642  -1.335   0.379
  697    H    LYS  92           HN       LYS  92   1.553   2.037  -4.877
  698    HA   LYS  92           HA       LYS  92   0.805   4.410  -3.455
  699    HB2  LYS  92           HB2      LYS  92   1.791   5.999  -5.088
  700    HB3  LYS  92           HB1      LYS  92   3.009   5.140  -4.140
  701    HG2  LYS  92           HG2      LYS  92   3.701   5.364  -6.462
  702    HG3  LYS  92           HG1      LYS  92   3.444   3.664  -6.058
  703    HD2  LYS  92           HD2      LYS  92   1.358   3.630  -7.169
  704    HD3  LYS  92           HD1      LYS  92   1.346   5.378  -7.337
  705    HE2  LYS  92           HE2      LYS  92   3.173   3.417  -8.730
  706    HE3  LYS  92           HE1      LYS  92   1.823   4.309  -9.462
  707    HZ1  LYS  92           HZ1      LYS  92   3.366   5.812  -9.999
  708    HZ2  LYS  92           HZ2      LYS  92   4.534   5.142  -8.959
  709    HZ3  LYS  92           HZ3      LYS  92   3.401   6.254  -8.357
  710    H    GLN  93           HN       GLN  93  -0.524   5.908  -5.023
  711    HA   GLN  93           HA       GLN  93  -2.163   4.095  -6.594
  712    HB2  GLN  93           HB2      GLN  93  -3.723   5.937  -6.912
  713    HB3  GLN  93           HB1      GLN  93  -3.473   5.511  -5.215
  714    HG2  GLN  93           HG2      GLN  93  -1.905   7.379  -5.014
  715    HG3  GLN  93           HG1      GLN  93  -2.270   7.851  -6.671
  716   HE21  GLN  93          HE21      GLN  93  -3.645   9.465  -6.790
  717   HE22  GLN  93          HE22      GLN  93  -4.951   9.782  -5.703
  718    H    ILE  94           HN       ILE  94  -2.800   4.523  -8.659
  719    HA   ILE  94           HA       ILE  94  -0.692   5.785 -10.265
  720    HB   ILE  94           HB       ILE  94  -1.238   3.963 -11.870
  721   HG12  ILE  94          HG12      ILE  94  -2.837   3.001  -9.483
  722   HG13  ILE  94          HG11      ILE  94  -3.441   3.431 -11.079
  723   HG21  ILE  94          HG21      ILE  94   0.271   3.874  -9.465
  724   HG22  ILE  94          HG22      ILE  94   0.587   3.050 -10.993
  725   HG23  ILE  94          HG23      ILE  94  -0.410   2.275  -9.760
  726   HD11  ILE  94          HD11      ILE  94  -2.571   0.941 -10.097
  727   HD12  ILE  94          HD12      ILE  94  -1.517   1.423 -11.427
  728   HD13  ILE  94          HD13      ILE  94  -3.262   1.329 -11.673
  Start of MODEL   12
    1    H    ASP   1           HT1      ASP   1  15.543   9.245  -3.645
    2    HA   ASP   1           HA       ASP   1  14.905   9.793  -6.472
    3    HB2  ASP   1           HB2      ASP   1  17.613   9.785  -5.111
    4    HB3  ASP   1           HB1      ASP   1  17.367   9.799  -6.856
    5    H    ASN   2           HN       ASN   2  16.226   8.106  -7.783
    6    HA   ASN   2           HA       ASN   2  15.532   5.522  -6.597
    7    HB2  ASN   2           HB2      ASN   2  14.518   6.201  -8.765
    8    HB3  ASN   2           HB1      ASN   2  16.125   6.225  -9.482
    9   HD21  ASN   2          HD21      ASN   2  16.557   4.499 -10.634
   10   HD22  ASN   2          HD22      ASN   2  15.971   2.896 -10.337
   11    H    GLN   3           HN       GLN   3  18.247   7.332  -6.829
   12    HA   GLN   3           HA       GLN   3  20.185   5.546  -7.834
   13    HB2  GLN   3           HB2      GLN   3  20.649   7.924  -7.545
   14    HB3  GLN   3           HB1      GLN   3  20.466   7.772  -5.803
   15    HG2  GLN   3           HG2      GLN   3  22.426   6.348  -5.698
   16    HG3  GLN   3           HG1      GLN   3  22.594   6.424  -7.452
   17   HE21  GLN   3          HE21      GLN   3  23.729   7.655  -4.638
   18   HE22  GLN   3          HE22      GLN   3  24.338   9.170  -5.208
   19    H    LYS   4           HN       LYS   4  19.712   6.422  -4.407
   20    HA   LYS   4           HA       LYS   4  20.548   3.685  -3.709
   21    HB2  LYS   4           HB2      LYS   4  21.943   5.507  -2.772
   22    HB3  LYS   4           HB1      LYS   4  20.525   6.170  -1.975
   23    HG2  LYS   4           HG2      LYS   4  20.329   4.145  -0.624
   24    HG3  LYS   4           HG1      LYS   4  21.740   3.463  -1.437
   25    HD2  LYS   4           HD2      LYS   4  23.103   5.340  -0.589
   26    HD3  LYS   4           HD1      LYS   4  21.687   5.962   0.262
   27    HE2  LYS   4           HE2      LYS   4  23.155   4.689   1.757
   28    HE3  LYS   4           HE1      LYS   4  21.571   3.930   1.598
   29    HZ1  LYS   4           HZ1      LYS   4  23.623   3.029  -0.268
   30    HZ2  LYS   4           HZ2      LYS   4  22.426   2.139   0.551
   31    HZ3  LYS   4           HZ3      LYS   4  23.852   2.591   1.356
   32    H    ALA   5           HN       ALA   5  18.002   5.961  -3.690
   33    HA   ALA   5           HA       ALA   5  15.821   5.901  -3.081
   34    HB1  ALA   5           HB1      ALA   5  16.466   2.997  -3.363
   35    HB2  ALA   5           HB2      ALA   5  15.458   4.027  -4.380
   36    HB3  ALA   5           HB3      ALA   5  14.871   3.500  -2.802
   37    H    LEU   6           HN       LEU   6  17.113   6.762  -1.030
   38    HA   LEU   6           HA       LEU   6  16.949   5.169   1.336
   39    HB2  LEU   6           HB2      LEU   6  17.092   8.182   1.086
   40    HB3  LEU   6           HB1      LEU   6  17.342   7.267   2.556
   41    HG   LEU   6           HG       LEU   6  19.353   6.217   1.446
   42   HD11  LEU   6          HD11      LEU   6  20.342   7.458  -0.436
   43   HD12  LEU   6          HD12      LEU   6  18.852   8.392  -0.576
   44   HD13  LEU   6          HD13      LEU   6  18.834   6.652  -0.870
   45   HD21  LEU   6          HD21      LEU   6  19.934   7.784   3.013
   46   HD22  LEU   6          HD22      LEU   6  19.105   9.094   2.168
   47   HD23  LEU   6          HD23      LEU   6  20.644   8.486   1.558
   48    H    GLU   7           HN       GLU   7  14.925   7.537  -0.235
   49    HA   GLU   7           HA       GLU   7  13.152   8.066   1.822
   50    HB2  GLU   7           HB2      GLU   7  11.638   8.876   0.009
   51    HB3  GLU   7           HB1      GLU   7  13.274   9.518  -0.060
   52    HG2  GLU   7           HG2      GLU   7  13.820   7.876  -1.808
   53    HG3  GLU   7           HG1      GLU   7  12.154   7.301  -1.761
   54    H    GLU   8           HN       GLU   8  13.348   5.155  -0.034
   55    HA   GLU   8           HA       GLU   8  10.593   4.481   0.095
   56    HB2  GLU   8           HB2      GLU   8  13.011   2.699  -0.190
   57    HB3  GLU   8           HB1      GLU   8  11.346   2.167  -0.371
   58    HG2  GLU   8           HG2      GLU   8  11.096   3.754  -2.249
   59    HG3  GLU   8           HG1      GLU   8  12.812   4.140  -2.102
   60    H    GLN   9           HN       GLN   9  13.275   4.187   2.287
   61    HA   GLN   9           HA       GLN   9  11.714   2.482   4.081
   62    HB2  GLN   9           HB2      GLN   9  14.495   3.537   4.588
   63    HB3  GLN   9           HB1      GLN   9  13.735   2.102   5.262
   64    HG2  GLN   9           HG2      GLN   9  14.691   2.496   2.436
   65    HG3  GLN   9           HG1      GLN   9  15.385   1.440   3.662
   66   HE21  GLN   9          HE21      GLN   9  13.450   1.581   1.009
   67   HE22  GLN   9          HE22      GLN   9  12.586   0.090   1.209
   68    H    MET  10           HN       MET  10  11.976   5.679   3.428
   69    HA   MET  10           HA       MET  10  11.902   6.501   6.248
   70    HB2  MET  10           HB2      MET  10  12.498   8.122   3.772
   71    HB3  MET  10           HB1      MET  10  12.451   8.766   5.409
   72    HG2  MET  10           HG2      MET  10  14.274   7.261   6.044
   73    HG3  MET  10           HG1      MET  10  14.331   6.646   4.393
   74    HE1  MET  10           HE1      MET  10  17.402   8.005   4.004
   75    HE2  MET  10           HE2      MET  10  16.658   7.084   5.311
   76    HE3  MET  10           HE3      MET  10  17.351   8.673   5.636
   77    H    ASN  11           HN       ASN  11  10.525   7.908   3.288
   78    HA   ASN  11           HA       ASN  11   8.112   8.597   4.792
   79    HB2  ASN  11           HB2      ASN  11   9.125   9.384   2.071
   80    HB3  ASN  11           HB1      ASN  11   7.462   9.693   2.574
   81   HD21  ASN  11          HD21      ASN  11  10.414  11.034   2.287
   82   HD22  ASN  11          HD22      ASN  11  10.322  12.253   3.509
   83    H    SER  12           HN       SER  12   9.035   7.187   1.764
   84    HA   SER  12           HA       SER  12   7.060   6.507   0.388
   85    HB2  SER  12           HB2      SER  12   9.218   5.538   0.012
   86    HB3  SER  12           HB1      SER  12   9.060   4.509   1.455
   87    HG   SER  12           HG       SER  12   8.415   3.126  -0.054
   88    H    ILE  13           HN       ILE  13   7.740   4.192   2.965
   89    HA   ILE  13           HA       ILE  13   5.202   2.918   2.609
   90    HB   ILE  13           HB       ILE  13   7.463   2.419   4.509
   91   HG12  ILE  13          HG12      ILE  13   6.775   1.203   1.847
   92   HG13  ILE  13          HG11      ILE  13   8.090   2.352   2.198
   93   HG21  ILE  13          HG21      ILE  13   4.946   1.356   4.732
   94   HG22  ILE  13          HG22      ILE  13   6.420   0.588   5.326
   95   HG23  ILE  13          HG23      ILE  13   5.775   0.150   3.745
   96   HD11  ILE  13          HD11      ILE  13   9.411   0.743   3.087
   97   HD12  ILE  13          HD12      ILE  13   8.432  -0.305   2.060
   98   HD13  ILE  13          HD13      ILE  13   8.054  -0.148   3.776
   99    H    ASN  14           HN       ASN  14   6.232   5.467   4.436
  100    HA   ASN  14           HA       ASN  14   4.245   5.061   6.576
  101    HB2  ASN  14           HB2      ASN  14   6.239   7.298   6.147
  102    HB3  ASN  14           HB1      ASN  14   5.081   7.240   7.469
  103   HD21  ASN  14          HD21      ASN  14   5.849   4.126   6.996
  104   HD22  ASN  14          HD22      ASN  14   7.184   3.966   8.083
  105    H    SER  15           HN       SER  15   5.039   7.309   3.966
  106    HA   SER  15           HA       SER  15   2.633   8.809   4.157
  107    HB2  SER  15           HB2      SER  15   3.297   9.771   2.012
  108    HB3  SER  15           HB1      SER  15   4.673   9.730   3.120
  109    HG   SER  15           HG       SER  15   5.438   8.922   1.215
  110    H    VAL  16           HN       VAL  16   3.505   5.761   2.870
  111    HA   VAL  16           HA       VAL  16   1.674   5.498   0.736
  112    HB   VAL  16           HB       VAL  16   3.613   3.908   1.590
  113   HG11  VAL  16          HG11      VAL  16   1.237   2.531   2.827
  114   HG12  VAL  16          HG12      VAL  16   2.482   3.395   3.737
  115   HG13  VAL  16          HG13      VAL  16   2.910   1.968   2.793
  116   HG21  VAL  16          HG21      VAL  16   2.743   2.072   0.304
  117   HG22  VAL  16          HG22      VAL  16   2.419   3.608  -0.500
  118   HG23  VAL  16          HG23      VAL  16   1.124   2.769   0.361
  119    H    ASN  17           HN       ASN  17   1.406   5.414   4.154
  120    HA   ASN  17           HA       ASN  17  -1.192   4.237   4.352
  121    HB2  ASN  17           HB2      ASN  17   0.277   6.079   6.269
  122    HB3  ASN  17           HB1      ASN  17  -1.191   5.187   6.643
  123   HD21  ASN  17          HD21      ASN  17  -0.772   3.567   7.921
  124   HD22  ASN  17          HD22      ASN  17   0.608   2.526   7.842
  125    H    ASP  18           HN       ASP  18   0.155   7.477   4.146
  126    HA   ASP  18           HA       ASP  18  -2.253   8.905   4.391
  127    HB2  ASP  18           HB2      ASP  18   0.365   9.514   3.044
  128    HB3  ASP  18           HB1      ASP  18  -0.940  10.671   3.140
  129    H    LYS  19           HN       LYS  19  -1.177   6.889   1.899
  130    HA   LYS  19           HA       LYS  19  -2.675   8.191  -0.247
  131    HB2  LYS  19           HB2      LYS  19  -0.654   6.092  -0.004
  132    HB3  LYS  19           HB1      LYS  19  -1.967   5.630  -1.060
  133    HG2  LYS  19           HG2      LYS  19  -0.307   6.545  -2.444
  134    HG3  LYS  19           HG1      LYS  19  -1.561   7.794  -2.308
  135    HD2  LYS  19           HD2      LYS  19   0.583   8.831  -2.124
  136    HD3  LYS  19           HD1      LYS  19  -0.198   8.868  -0.548
  137    HE2  LYS  19           HE2      LYS  19   1.167   7.049   0.242
  138    HE3  LYS  19           HE1      LYS  19   1.842   6.808  -1.377
  139    HZ1  LYS  19           HZ1      LYS  19   2.196   9.266   0.265
  140    HZ2  LYS  19           HZ2      LYS  19   2.909   8.959  -1.244
  141    HZ3  LYS  19           HZ3      LYS  19   3.349   8.029   0.106
  142    H    LEU  20           HN       LEU  20  -2.878   5.724   2.054
  143    HA   LEU  20           HA       LEU  20  -5.107   4.378   0.766
  144    HB2  LEU  20           HB2      LEU  20  -3.388   3.741   3.155
  145    HB3  LEU  20           HB1      LEU  20  -4.530   2.626   2.405
  146    HG   LEU  20           HG       LEU  20  -2.033   3.746   1.125
  147   HD11  LEU  20          HD11      LEU  20  -2.349   1.624   2.932
  148   HD12  LEU  20          HD12      LEU  20  -0.919   2.057   1.995
  149   HD13  LEU  20          HD13      LEU  20  -2.085   0.906   1.345
  150   HD21  LEU  20          HD21      LEU  20  -2.613   2.782  -0.833
  151   HD22  LEU  20          HD22      LEU  20  -4.248   3.000  -0.210
  152   HD23  LEU  20          HD23      LEU  20  -3.444   1.439  -0.049
  153    H    ASN  21           HN       ASN  21  -4.149   5.931   3.698
  154    HA   ASN  21           HA       ASN  21  -6.560   5.375   5.139
  155    HB2  ASN  21           HB2      ASN  21  -3.942   5.714   5.805
  156    HB3  ASN  21           HB1      ASN  21  -4.564   7.334   6.151
  157   HD21  ASN  21          HD21      ASN  21  -3.923   4.401   7.395
  158   HD22  ASN  21          HD22      ASN  21  -4.991   4.398   8.768
  159    H    LYS  22           HN       LYS  22  -8.165   6.541   3.923
  160    HA   LYS  22           HA       LYS  22  -7.551   9.402   3.608
  161    HB2  LYS  22           HB2      LYS  22  -9.110   7.527   1.838
  162    HB3  LYS  22           HB1      LYS  22  -8.941   9.265   1.545
  163    HG2  LYS  22           HG2      LYS  22  -6.523   9.018   1.387
  164    HG3  LYS  22           HG1      LYS  22  -6.659   7.295   1.731
  165    HD2  LYS  22           HD2      LYS  22  -6.351   7.738  -0.662
  166    HD3  LYS  22           HD1      LYS  22  -7.893   6.955  -0.333
  167    HE2  LYS  22           HE2      LYS  22  -8.123   8.763  -1.970
  168    HE3  LYS  22           HE1      LYS  22  -9.038   9.098  -0.499
  169    HZ1  LYS  22           HZ1      LYS  22  -7.795  10.885  -0.043
  170    HZ2  LYS  22           HZ2      LYS  22  -7.334  10.819  -1.678
  171    HZ3  LYS  22           HZ3      LYS  22  -6.336  10.134  -0.484
  172    H    GLY  23           HN       GLY  23 -10.392   7.321   4.286
  173    HA2  GLY  23           HA2      GLY  23 -11.539   9.235   5.940
  174    HA3  GLY  23           HA1      GLY  23 -12.223   9.421   4.317
  175    H    LYS  24           HN       LYS  24 -13.494   7.765   3.451
  176    HA   LYS  24           HA       LYS  24 -15.292   6.483   5.125
  177    HB2  LYS  24           HB2      LYS  24 -15.551   6.865   2.668
  178    HB3  LYS  24           HB1      LYS  24 -14.416   5.544   2.355
  179    HG2  LYS  24           HG2      LYS  24 -16.631   4.730   2.042
  180    HG3  LYS  24           HG1      LYS  24 -16.015   4.026   3.544
  181    HD2  LYS  24           HD2      LYS  24 -17.302   5.513   4.870
  182    HD3  LYS  24           HD1      LYS  24 -17.704   6.522   3.476
  183    HE2  LYS  24           HE2      LYS  24 -19.013   4.707   2.521
  184    HE3  LYS  24           HE1      LYS  24 -18.594   3.664   3.886
  185    HZ1  LYS  24           HZ1      LYS  24 -19.620   5.664   5.227
  186    HZ2  LYS  24           HZ2      LYS  24 -20.606   4.444   4.578
  187    HZ3  LYS  24           HZ3      LYS  24 -20.452   5.930   3.769
  188    H    GLY  25           HN       GLY  25 -12.728   4.935   3.253
  189    HA2  GLY  25           HA2      GLY  25 -12.177   3.256   5.572
  190    HA3  GLY  25           HA1      GLY  25 -12.239   2.534   3.974
  191    H    LYS  26           HN       LYS  26 -10.050   2.363   5.550
  192    HA   LYS  26           HA       LYS  26  -8.066   3.972   4.159
  193    HB2  LYS  26           HB2      LYS  26  -7.176   4.260   6.604
  194    HB3  LYS  26           HB1      LYS  26  -8.394   5.359   5.942
  195    HG2  LYS  26           HG2      LYS  26 -10.082   3.749   6.857
  196    HG3  LYS  26           HG1      LYS  26  -8.761   3.021   7.768
  197    HD2  LYS  26           HD2      LYS  26  -9.950   4.630   9.162
  198    HD3  LYS  26           HD1      LYS  26  -8.313   5.197   8.832
  199    HE2  LYS  26           HE2      LYS  26 -10.643   6.062   7.152
  200    HE3  LYS  26           HE1      LYS  26 -10.250   6.887   8.669
  201    HZ1  LYS  26           HZ1      LYS  26  -8.887   6.948   6.112
  202    HZ2  LYS  26           HZ2      LYS  26  -7.868   6.856   7.462
  203    HZ3  LYS  26           HZ3      LYS  26  -8.976   8.134   7.318
  204    H    LEU  27           HN       LEU  27  -5.863   3.227   4.577
  205    HA   LEU  27           HA       LEU  27  -5.721   0.480   5.553
  206    HB2  LEU  27           HB2      LEU  27  -6.070   0.257   3.248
  207    HB3  LEU  27           HB1      LEU  27  -4.823   1.459   2.861
  208    HG   LEU  27           HG       LEU  27  -3.100  -0.077   3.702
  209   HD11  LEU  27          HD11      LEU  27  -5.324  -1.423   4.851
  210   HD12  LEU  27          HD12      LEU  27  -3.611  -1.812   5.003
  211   HD13  LEU  27          HD13      LEU  27  -4.564  -2.524   3.702
  212   HD21  LEU  27          HD21      LEU  27  -4.613  -1.783   1.814
  213   HD22  LEU  27          HD22      LEU  27  -2.951  -1.197   1.739
  214   HD23  LEU  27          HD23      LEU  27  -4.283  -0.126   1.306
  215    H    SER  28           HN       SER  28  -3.791  -0.112   6.429
  216    HA   SER  28           HA       SER  28  -1.683   1.931   6.639
  217    HB2  SER  28           HB2      SER  28  -3.130   1.805   8.697
  218    HB3  SER  28           HB1      SER  28  -2.685   0.097   8.832
  219    HG   SER  28           HG       SER  28  -1.315   2.296   9.628
  220    H    LEU  29           HN       LEU  29   0.425   1.068   6.420
  221    HA   LEU  29           HA       LEU  29   0.591  -1.864   6.454
  222    HB2  LEU  29           HB2      LEU  29   2.093  -0.213   4.441
  223    HB3  LEU  29           HB1      LEU  29   1.875  -1.982   4.514
  224    HG   LEU  29           HG       LEU  29  -0.436  -0.106   4.079
  225   HD11  LEU  29          HD11      LEU  29   1.170  -1.545   1.958
  226   HD12  LEU  29          HD12      LEU  29   1.304   0.180   2.298
  227   HD13  LEU  29          HD13      LEU  29  -0.217  -0.487   1.704
  228   HD21  LEU  29          HD21      LEU  29   0.036  -3.050   3.688
  229   HD22  LEU  29          HD22      LEU  29  -1.356  -2.193   3.027
  230   HD23  LEU  29          HD23      LEU  29  -1.113  -2.265   4.773
  231    H    SER  30           HN       SER  30   2.344  -2.691   7.455
  232    HA   SER  30           HA       SER  30   4.696  -1.024   7.876
  233    HB2  SER  30           HB2      SER  30   3.241  -2.406  10.151
  234    HB3  SER  30           HB1      SER  30   4.822  -1.631  10.277
  235    HG   SER  30           HG       SER  30   3.881   0.347   9.877
  236    H    MET  31           HN       MET  31   6.212  -2.655   9.397
  237    HA   MET  31           HA       MET  31   6.078  -5.345   8.243
  238    HB2  MET  31           HB2      MET  31   8.457  -5.329   7.667
  239    HB3  MET  31           HB1      MET  31   7.569  -4.104   6.736
  240    HG2  MET  31           HG2      MET  31   9.233  -3.541   9.192
  241    HG3  MET  31           HG1      MET  31   9.788  -3.350   7.533
  242    HE1  MET  31           HE1      MET  31   8.721  -1.766   5.824
  243    HE2  MET  31           HE2      MET  31   7.644  -0.424   6.201
  244    HE3  MET  31           HE3      MET  31   7.017  -2.072   6.166
  245    H    ASN  32           HN       ASN  32   7.483  -6.830   9.299
  246    HA   ASN  32           HA       ASN  32   8.366  -6.082  11.990
  247    HB2  ASN  32           HB2      ASN  32   6.021  -6.981  12.139
  248    HB3  ASN  32           HB1      ASN  32   6.597  -8.482  11.395
  249   HD21  ASN  32          HD21      ASN  32   5.816  -7.067  14.222
  250   HD22  ASN  32          HD22      ASN  32   6.743  -8.051  15.319
  251    H    GLY  33           HN       GLY  33  10.464  -6.299  11.146
  252    HA2  GLY  33           HA2      GLY  33  12.411  -7.504  10.654
  253    HA3  GLY  33           HA1      GLY  33  11.482  -9.007  10.879
  254    H    ASN  34           HN       ASN  34  10.892 -10.110   9.109
  255    HA   ASN  34           HA       ASN  34  11.074  -8.733   6.501
  256    HB2  ASN  34           HB2      ASN  34  11.371 -11.676   7.149
  257    HB3  ASN  34           HB1      ASN  34  11.291 -11.030   5.515
  258   HD21  ASN  34          HD21      ASN  34  12.847  -8.707   7.162
  259   HD22  ASN  34          HD22      ASN  34  14.493  -9.226   6.939
  260    H    GLN  35           HN       GLN  35   8.828  -8.782   8.414
  261    HA   GLN  35           HA       GLN  35   6.827 -10.313   6.908
  262    HB2  GLN  35           HB2      GLN  35   6.581  -9.005   9.622
  263    HB3  GLN  35           HB1      GLN  35   5.377 -10.035   8.851
  264    HG2  GLN  35           HG2      GLN  35   6.935 -11.924   8.909
  265    HG3  GLN  35           HG1      GLN  35   8.139 -10.905   9.691
  266   HE21  GLN  35          HE21      GLN  35   5.234  -9.944  10.848
  267   HE22  GLN  35          HE22      GLN  35   5.152 -10.920  12.285
  268    H    LEU  36           HN       LEU  36   4.702  -9.292   6.643
  269    HA   LEU  36           HA       LEU  36   4.885  -6.389   6.277
  270    HB2  LEU  36           HB2      LEU  36   5.294  -7.220   4.174
  271    HB3  LEU  36           HB1      LEU  36   4.128  -8.531   4.321
  272    HG   LEU  36           HG       LEU  36   3.530  -6.803   2.629
  273   HD11  LEU  36          HD11      LEU  36   1.801  -7.629   4.854
  274   HD12  LEU  36          HD12      LEU  36   1.567  -7.757   3.111
  275   HD13  LEU  36          HD13      LEU  36   1.219  -6.238   3.939
  276   HD21  LEU  36          HD21      LEU  36   3.978  -4.682   3.172
  277   HD22  LEU  36          HD22      LEU  36   3.967  -5.013   4.905
  278   HD23  LEU  36          HD23      LEU  36   2.451  -4.718   4.054
  279    H    LYS  37           HN       LYS  37   3.189  -5.239   6.879
  280    HA   LYS  37           HA       LYS  37   0.930  -6.720   8.060
  281    HB2  LYS  37           HB2      LYS  37   2.420  -4.314   9.137
  282    HB3  LYS  37           HB1      LYS  37   1.091  -5.173   9.949
  283    HG2  LYS  37           HG2      LYS  37   3.724  -6.439   9.192
  284    HG3  LYS  37           HG1      LYS  37   3.372  -5.743  10.793
  285    HD2  LYS  37           HD2      LYS  37   1.432  -7.300  10.966
  286    HD3  LYS  37           HD1      LYS  37   1.947  -8.038   9.448
  287    HE2  LYS  37           HE2      LYS  37   4.077  -8.631  10.452
  288    HE3  LYS  37           HE1      LYS  37   3.575  -7.894  11.974
  289    HZ1  LYS  37           HZ1      LYS  37   1.567  -9.549  11.638
  290    HZ2  LYS  37           HZ2      LYS  37   3.011 -10.037  12.390
  291    HZ3  LYS  37           HZ3      LYS  37   2.734 -10.418  10.755
  292    H    ALA  38           HN       ALA  38  -0.884  -6.160   7.035
  293    HA   ALA  38           HA       ALA  38  -1.338  -3.329   6.378
  294    HB1  ALA  38           HB1      ALA  38  -2.258  -3.935   4.433
  295    HB2  ALA  38           HB2      ALA  38  -3.217  -5.208   5.192
  296    HB3  ALA  38           HB3      ALA  38  -1.551  -5.527   4.709
  297    H    THR  39           HN       THR  39  -3.186  -2.367   7.031
  298    HA   THR  39           HA       THR  39  -5.218  -3.858   8.461
  299    HB   THR  39           HB       THR  39  -5.108  -2.112  10.342
  300    HG1  THR  39           HG1      THR  39  -2.497  -1.824   9.278
  301   HG21  THR  39          HG21      THR  39  -3.425  -4.475  10.005
  302   HG22  THR  39          HG22      THR  39  -4.458  -3.990  11.350
  303   HG23  THR  39          HG23      THR  39  -2.832  -3.322  11.202
  304    H    SER  40           HN       SER  40  -7.205  -2.974   8.205
  305    HA   SER  40           HA       SER  40  -7.396  -0.355   6.822
  306    HB2  SER  40           HB2      SER  40  -9.651  -1.185   6.135
  307    HB3  SER  40           HB1      SER  40  -8.304  -2.106   5.459
  308    HG   SER  40           HG       SER  40  -9.454  -2.937   7.893
  309    H    SER  41           HN       SER  41  -8.376   1.216   7.898
  310    HA   SER  41           HA       SER  41  -9.619   0.445  10.436
  311    HB2  SER  41           HB2      SER  41  -7.927   2.199  10.614
  312    HB3  SER  41           HB1      SER  41  -8.803   3.193   9.452
  313    HG   SER  41           HG       SER  41  -9.385   3.936  11.440
  314    H    ASN  42           HN       ASN  42 -11.676   1.127  11.003
  315    HA   ASN  42           HA       ASN  42 -13.905   1.556  10.704
  316    HB2  ASN  42           HB2      ASN  42 -13.159   2.318   7.863
  317    HB3  ASN  42           HB1      ASN  42 -14.843   2.302   8.505
  318   HD21  ASN  42          HD21      ASN  42 -12.308   4.243   7.842
  319   HD22  ASN  42          HD22      ASN  42 -12.603   5.525   8.993
  320    H    ALA  43           HN       ALA  43 -11.928  -0.654   9.477
  321    HA   ALA  43           HA       ALA  43 -12.118  -2.829   8.815
  322    HB1  ALA  43           HB1      ALA  43 -13.276  -4.013  10.360
  323    HB2  ALA  43           HB2      ALA  43 -14.700  -2.977  10.260
  324    HB3  ALA  43           HB3      ALA  43 -13.272  -2.432  11.142
  325    H    GLY  44           HN       GLY  44 -12.804  -1.841   6.486
  326    HA2  GLY  44           HA2      GLY  44 -13.827  -3.443   4.911
  327    HA3  GLY  44           HA1      GLY  44 -15.279  -3.253   5.920
  328    H    TYR  45           HN       TYR  45 -14.064  -0.279   5.685
  329    HA   TYR  45           HA       TYR  45 -16.001   0.426   3.646
  330    HB2  TYR  45           HB2      TYR  45 -14.223   2.187   5.363
  331    HB3  TYR  45           HB1      TYR  45 -15.412   2.776   4.188
  332    HD1  TYR  45           HD1      TYR  45 -16.521   4.078   5.963
  333    HD2  TYR  45           HD2      TYR  45 -16.238  -0.165   6.229
  334    HE1  TYR  45           HE1      TYR  45 -18.254   4.073   7.692
  335    HE2  TYR  45           HE2      TYR  45 -17.969  -0.169   7.968
  336    HH   TYR  45           HH       TYR  45 -20.032   2.177   8.528
  337    H    GLY  46           HN       GLY  46 -15.483   1.728   1.798
  338    HA2  GLY  46           HA2      GLY  46 -12.774   1.200   0.733
  339    HA3  GLY  46           HA1      GLY  46 -14.214   1.502  -0.236
  340    H    ILE  47           HN       ILE  47 -13.091   3.151  -1.360
  341    HA   ILE  47           HA       ILE  47 -11.726   5.361  -0.416
  342    HB   ILE  47           HB       ILE  47 -13.901   5.650  -2.420
  343   HG12  ILE  47          HG12      ILE  47 -12.040   5.168  -4.090
  344   HG13  ILE  47          HG11      ILE  47 -11.383   4.188  -2.775
  345   HG21  ILE  47          HG21      ILE  47 -12.465   7.311  -3.426
  346   HG22  ILE  47          HG22      ILE  47 -11.217   6.955  -2.232
  347   HG23  ILE  47          HG23      ILE  47 -12.747   7.670  -1.723
  348   HD11  ILE  47          HD11      ILE  47 -12.758   2.569  -3.388
  349   HD12  ILE  47          HD12      ILE  47 -13.528   3.613  -4.586
  350   HD13  ILE  47          HD13      ILE  47 -14.114   3.596  -2.922
  351    H    SER  48           HN       SER  48 -15.029   5.044  -1.243
  352    HA   SER  48           HA       SER  48 -16.639   5.879   0.677
  353    HB2  SER  48           HB2      SER  48 -15.352   7.906   1.105
  354    HB3  SER  48           HB1      SER  48 -15.441   8.356  -0.606
  355    HG   SER  48           HG       SER  48 -17.109   9.467   0.147
  356    H    TYR  49           HN       TYR  49 -16.585   8.051  -2.069
  357    HA   TYR  49           HA       TYR  49 -18.103   6.120  -3.673
  358    HB2  TYR  49           HB2      TYR  49 -18.922   8.928  -3.020
  359    HB3  TYR  49           HB1      TYR  49 -19.325   8.242  -4.598
  360    HD1  TYR  49           HD1      TYR  49 -19.271   6.272  -1.470
  361    HD2  TYR  49           HD2      TYR  49 -21.796   8.344  -4.228
  362    HE1  TYR  49           HE1      TYR  49 -21.248   5.272  -0.425
  363    HE2  TYR  49           HE2      TYR  49 -23.757   7.332  -3.184
  364    HH   TYR  49           HH       TYR  49 -23.706   5.836  -0.204
  365    H    GLU  50           HN       GLU  50 -15.869   5.911  -4.562
  366    HA   GLU  50           HA       GLU  50 -15.637   7.528  -6.936
  367    HB2  GLU  50           HB2      GLU  50 -13.362   7.502  -4.933
  368    HB3  GLU  50           HB1      GLU  50 -13.223   8.069  -6.587
  369    HG2  GLU  50           HG2      GLU  50 -14.809   9.846  -6.129
  370    HG3  GLU  50           HG1      GLU  50 -14.989   9.268  -4.466
  371    H    ASP  51           HN       ASP  51 -13.313   6.768  -8.005
  372    HA   ASP  51           HA       ASP  51 -12.961   3.932  -7.434
  373    HB2  ASP  51           HB2      ASP  51 -12.856   3.243  -9.712
  374    HB3  ASP  51           HB1      ASP  51 -14.361   4.145  -9.504
  375    H    LYS  52           HN       LYS  52 -10.904   3.160  -7.564
  376    HA   LYS  52           HA       LYS  52  -8.746   4.911  -8.423
  377    HB2  LYS  52           HB2      LYS  52  -9.093   3.811  -5.666
  378    HB3  LYS  52           HB1      LYS  52  -7.526   4.290  -6.287
  379    HG2  LYS  52           HG2      LYS  52  -8.232   6.097  -5.033
  380    HG3  LYS  52           HG1      LYS  52  -8.584   6.551  -6.695
  381    HD2  LYS  52           HD2      LYS  52 -10.938   5.879  -6.357
  382    HD3  LYS  52           HD1      LYS  52 -10.547   5.509  -4.671
  383    HE2  LYS  52           HE2      LYS  52 -10.243   8.206  -5.985
  384    HE3  LYS  52           HE1      LYS  52 -11.529   7.739  -4.870
  385    HZ1  LYS  52           HZ1      LYS  52  -8.673   8.198  -4.315
  386    HZ2  LYS  52           HZ2      LYS  52  -9.560   7.151  -3.317
  387    HZ3  LYS  52           HZ3      LYS  52 -10.035   8.780  -3.483
  388    H    ASN  53           HN       ASN  53  -7.056   3.781  -9.273
  389    HA   ASN  53           HA       ASN  53  -7.016   0.905  -8.678
  390    HB2  ASN  53           HB2      ASN  53  -6.275   2.277 -11.255
  391    HB3  ASN  53           HB1      ASN  53  -5.701   0.649 -10.844
  392   HD21  ASN  53          HD21      ASN  53  -8.707   1.091  -9.449
  393   HD22  ASN  53          HD22      ASN  53  -9.647   0.296 -10.684
  394    H    TRP  54           HN       TRP  54  -5.161   0.042  -7.983
  395    HA   TRP  54           HA       TRP  54  -2.993   1.954  -7.483
  396    HB2  TRP  54           HB2      TRP  54  -4.631   0.394  -5.651
  397    HB3  TRP  54           HB1      TRP  54  -2.888   0.116  -5.413
  398    HD1  TRP  54           HD1      TRP  54  -5.215   3.238  -5.766
  399    HE1  TRP  54           HE1      TRP  54  -4.218   5.058  -4.227
  400    HE3  TRP  54           HE3      TRP  54  -1.208   0.673  -4.035
  401    HZ2  TRP  54           HZ2      TRP  54  -1.930   5.317  -2.559
  402    HZ3  TRP  54           HZ3      TRP  54   0.311   1.778  -2.478
  403    HH2  TRP  54           HH2      TRP  54  -0.056   4.039  -1.738
  404    H    GLY  55           HN       GLY  55  -0.903   1.116  -7.038
  405    HA2  GLY  55           HA2      GLY  55  -0.495  -1.678  -7.735
  406    HA3  GLY  55           HA1      GLY  55   0.364  -0.497  -8.717
  407    H    ILE  56           HN       ILE  56   1.484  -2.459  -7.264
  408    HA   ILE  56           HA       ILE  56   3.193  -1.049  -5.285
  409    HB   ILE  56           HB       ILE  56   2.186  -3.927  -5.225
  410   HG12  ILE  56          HG12      ILE  56   1.789  -1.696  -3.218
  411   HG13  ILE  56          HG11      ILE  56   0.564  -2.193  -4.407
  412   HG21  ILE  56          HG21      ILE  56   4.143  -4.345  -4.239
  413   HG22  ILE  56          HG22      ILE  56   3.452  -3.502  -2.852
  414   HG23  ILE  56          HG23      ILE  56   4.490  -2.635  -3.984
  415   HD11  ILE  56          HD11      ILE  56   1.485  -3.518  -1.918
  416   HD12  ILE  56          HD12      ILE  56   1.017  -4.554  -3.266
  417   HD13  ILE  56          HD13      ILE  56  -0.134  -3.388  -2.605
  418    H    PHE  57           HN       PHE  57   4.814  -0.681  -6.774
  419    HA   PHE  57           HA       PHE  57   5.611  -2.880  -8.515
  420    HB2  PHE  57           HB2      PHE  57   6.644  -0.030  -8.593
  421    HB3  PHE  57           HB1      PHE  57   6.773  -1.263  -9.863
  422    HD1  PHE  57           HD1      PHE  57   4.322   0.856  -8.017
  423    HD2  PHE  57           HD2      PHE  57   5.136  -1.425 -11.519
  424    HE1  PHE  57           HE1      PHE  57   2.257   1.671  -9.023
  425    HE2  PHE  57           HE2      PHE  57   3.053  -0.590 -12.536
  426    HZ   PHE  57           HZ       PHE  57   1.609   0.969 -11.272
  427    H    VAL  58           HN       VAL  58   7.006  -4.235  -7.499
  428    HA   VAL  58           HA       VAL  58   9.074  -3.001  -5.856
  429    HB   VAL  58           HB       VAL  58   9.454  -5.067  -4.812
  430   HG11  VAL  58          HG11      VAL  58   7.143  -5.785  -4.130
  431   HG12  VAL  58          HG12      VAL  58   6.535  -4.625  -5.311
  432   HG13  VAL  58          HG13      VAL  58   7.521  -4.071  -3.958
  433   HG21  VAL  58          HG21      VAL  58   7.566  -6.669  -6.427
  434   HG22  VAL  58          HG22      VAL  58   8.992  -7.149  -5.497
  435   HG23  VAL  58          HG23      VAL  58   9.184  -6.377  -7.077
  436    H    ASN  59           HN       ASN  59  10.598  -2.229  -7.092
  437    HA   ASN  59           HA       ASN  59  12.216  -1.957  -8.636
  438    HB2  ASN  59           HB2      ASN  59  12.395  -4.974  -8.531
  439    HB3  ASN  59           HB1      ASN  59  13.486  -3.946  -9.490
  440   HD21  ASN  59          HD21      ASN  59  13.345  -5.628  -6.761
  441   HD22  ASN  59          HD22      ASN  59  14.405  -4.699  -5.762
  442    H    GLY  60           HN       GLY  60  10.085  -1.330  -9.733
  443    HA2  GLY  60           HA2      GLY  60   8.960  -1.090 -11.701
  444    HA3  GLY  60           HA1      GLY  60  10.394  -1.826 -12.444
  445    H    GLU  61           HN       GLU  61   7.896  -3.088 -10.278
  446    HA   GLU  61           HA       GLU  61   6.717  -4.701 -12.350
  447    HB2  GLU  61           HB2      GLU  61   8.681  -6.058 -11.728
  448    HB3  GLU  61           HB1      GLU  61   8.155  -6.044 -10.049
  449    HG2  GLU  61           HG2      GLU  61   7.590  -8.149 -11.062
  450    HG3  GLU  61           HG1      GLU  61   6.113  -7.249 -10.694
  451    H    LYS  62           HN       LYS  62   4.605  -4.431 -11.932
  452    HA   LYS  62           HA       LYS  62   3.699  -3.775  -9.282
  453    HB2  LYS  62           HB2      LYS  62   2.705  -2.768 -11.334
  454    HB3  LYS  62           HB1      LYS  62   2.074  -4.371 -11.777
  455    HG2  LYS  62           HG2      LYS  62   0.638  -4.395  -9.851
  456    HG3  LYS  62           HG1      LYS  62   1.364  -2.889  -9.240
  457    HD2  LYS  62           HD2      LYS  62  -0.734  -2.321 -10.218
  458    HD3  LYS  62           HD1      LYS  62   0.519  -1.754 -11.316
  459    HE2  LYS  62           HE2      LYS  62  -1.072  -4.301 -11.639
  460    HE3  LYS  62           HE1      LYS  62  -1.401  -2.788 -12.475
  461    HZ1  LYS  62           HZ1      LYS  62  -0.168  -3.793 -14.051
  462    HZ2  LYS  62           HZ2      LYS  62   0.685  -4.768 -12.951
  463    HZ3  LYS  62           HZ3      LYS  62   1.128  -3.138 -13.169
  464    H    VAL  63           HN       VAL  63   3.935  -5.434  -7.906
  465    HA   VAL  63           HA       VAL  63   3.305  -8.127  -8.714
  466    HB   VAL  63           HB       VAL  63   4.151  -8.794  -6.553
  467   HG11  VAL  63          HG11      VAL  63   5.693  -8.593  -8.381
  468   HG12  VAL  63          HG12      VAL  63   6.483  -8.033  -6.906
  469   HG13  VAL  63          HG13      VAL  63   5.879  -6.865  -8.083
  470   HG21  VAL  63          HG21      VAL  63   3.939  -7.315  -4.868
  471   HG22  VAL  63          HG22      VAL  63   3.878  -5.940  -5.972
  472   HG23  VAL  63          HG23      VAL  63   5.438  -6.616  -5.491
  473    H    TYR  64           HN       TYR  64   1.543  -5.633  -7.302
  474    HA   TYR  64           HA       TYR  64  -0.637  -7.467  -6.903
  475    HB2  TYR  64           HB2      TYR  64   0.371  -7.428  -4.644
  476    HB3  TYR  64           HB1      TYR  64   0.183  -5.660  -4.622
  477    HD1  TYR  64           HD1      TYR  64  -1.409  -5.257  -2.927
  478    HD2  TYR  64           HD2      TYR  64  -2.186  -8.279  -5.820
  479    HE1  TYR  64           HE1      TYR  64  -3.686  -5.494  -2.062
  480    HE2  TYR  64           HE2      TYR  64  -4.470  -8.525  -4.953
  481    HH   TYR  64           HH       TYR  64  -5.503  -7.745  -2.220
  482    H    THR  65           HN       THR  65  -2.552  -6.571  -7.429
  483    HA   THR  65           HA       THR  65  -2.629  -3.675  -7.844
  484    HB   THR  65           HB       THR  65  -4.114  -5.687  -9.394
  485    HG1  THR  65           HG1      THR  65  -1.845  -5.747  -9.813
  486   HG21  THR  65          HG21      THR  65  -3.813  -2.735  -9.752
  487   HG22  THR  65          HG22      THR  65  -5.306  -3.647  -9.520
  488   HG23  THR  65          HG23      THR  65  -4.400  -3.804 -11.026
  489    H    PHE  66           HN       PHE  66  -3.893  -2.774  -6.326
  490    HA   PHE  66           HA       PHE  66  -6.463  -4.117  -5.815
  491    HB2  PHE  66           HB2      PHE  66  -6.518  -3.423  -3.533
  492    HB3  PHE  66           HB1      PHE  66  -5.026  -4.358  -3.828
  493    HD1  PHE  66           HD1      PHE  66  -6.286  -0.847  -3.542
  494    HD2  PHE  66           HD2      PHE  66  -2.989  -3.505  -3.083
  495    HE1  PHE  66           HE1      PHE  66  -4.990   0.948  -2.481
  496    HE2  PHE  66           HE2      PHE  66  -1.687  -1.705  -2.018
  497    HZ   PHE  66           HZ       PHE  66  -2.683   0.539  -1.716
  498    H    ASN  67           HN       ASN  67  -8.154  -2.646  -5.239
  499    HA   ASN  67           HA       ASN  67  -7.678   0.089  -6.157
  500    HB2  ASN  67           HB2      ASN  67  -9.929  -0.047  -7.327
  501    HB3  ASN  67           HB1      ASN  67  -8.628  -0.976  -8.071
  502   HD21  ASN  67          HD21      ASN  67  -9.091  -2.965  -8.634
  503   HD22  ASN  67          HD22      ASN  67 -10.381  -3.928  -7.997
  504    H    GLU  68           HN       GLU  68  -8.758   1.666  -4.898
  505    HA   GLU  68           HA       GLU  68  -9.467   0.837  -2.329
  506    HB2  GLU  68           HB2      GLU  68 -10.477   3.470  -3.444
  507    HB3  GLU  68           HB1      GLU  68 -10.001   3.064  -1.810
  508    HG2  GLU  68           HG2      GLU  68  -7.663   2.948  -2.425
  509    HG3  GLU  68           HG1      GLU  68  -8.092   3.296  -4.116
  510    H    LYS  69           HN       LYS  69 -11.194   0.837  -5.195
  511    HA   LYS  69           HA       LYS  69 -13.897   1.027  -4.415
  512    HB2  LYS  69           HB2      LYS  69 -12.673  -0.833  -6.460
  513    HB3  LYS  69           HB1      LYS  69 -14.344  -0.231  -6.432
  514    HG2  LYS  69           HG2      LYS  69 -13.590   2.021  -6.852
  515    HG3  LYS  69           HG1      LYS  69 -11.894   1.488  -6.807
  516    HD2  LYS  69           HD2      LYS  69 -12.583   1.763  -9.103
  517    HD3  LYS  69           HD1      LYS  69 -12.335   0.051  -8.776
  518    HE2  LYS  69           HE2      LYS  69 -15.025   1.423  -8.791
  519    HE3  LYS  69           HE1      LYS  69 -14.342   0.562 -10.165
  520    HZ1  LYS  69           HZ1      LYS  69 -15.429  -1.179  -9.333
  521    HZ2  LYS  69           HZ2      LYS  69 -15.633  -0.464  -7.802
  522    HZ3  LYS  69           HZ3      LYS  69 -14.183  -1.270  -8.181
  523    H    SER  70           HN       SER  70 -11.591  -1.595  -4.667
  524    HA   SER  70           HA       SER  70 -13.168  -3.505  -3.253
  525    HB2  SER  70           HB2      SER  70 -11.277  -4.223  -4.714
  526    HB3  SER  70           HB1      SER  70 -10.157  -3.402  -3.583
  527    HG   SER  70           HG       SER  70 -10.197  -5.486  -2.905
  528    H    THR  71           HN       THR  71 -13.695  -3.117  -1.219
  529    HA   THR  71           HA       THR  71 -12.864  -0.966   0.238
  530    HB   THR  71           HB       THR  71 -13.769  -2.140   2.175
  531    HG1  THR  71           HG1      THR  71 -13.151  -4.289   0.776
  532   HG21  THR  71          HG21      THR  71 -15.832  -1.669   1.501
  533   HG22  THR  71          HG22      THR  71 -15.788  -2.928   0.267
  534   HG23  THR  71          HG23      THR  71 -15.128  -1.329  -0.080
  535    H    VAL  72           HN       VAL  72 -10.971  -0.453   1.248
  536    HA   VAL  72           HA       VAL  72  -8.759  -1.962   1.141
  537    HB   VAL  72           HB       VAL  72  -8.220  -0.334   3.335
  538   HG11  VAL  72          HG11      VAL  72  -7.955   0.441   0.425
  539   HG12  VAL  72          HG12      VAL  72  -6.959  -0.816   1.162
  540   HG13  VAL  72          HG13      VAL  72  -6.881   0.838   1.767
  541   HG21  VAL  72          HG21      VAL  72 -10.591   0.614   2.673
  542   HG22  VAL  72          HG22      VAL  72  -9.710   1.327   1.309
  543   HG23  VAL  72          HG23      VAL  72  -9.254   1.725   2.968
  544    H    GLY  73           HN       GLY  73 -11.312  -2.452   3.188
  545    HA2  GLY  73           HA2      GLY  73  -9.982  -3.830   5.327
  546    HA3  GLY  73           HA1      GLY  73 -11.676  -3.897   4.883
  547    H    ASN  74           HN       ASN  74 -11.933  -4.861   2.552
  548    HA   ASN  74           HA       ASN  74 -11.154  -7.600   2.789
  549    HB2  ASN  74           HB2      ASN  74 -12.492  -6.092   0.526
  550    HB3  ASN  74           HB1      ASN  74 -12.244  -7.845   0.541
  551   HD21  ASN  74          HD21      ASN  74 -14.124  -8.791   0.893
  552   HD22  ASN  74          HD22      ASN  74 -15.289  -8.322   2.099
  553    H    ILE  75           HN       ILE  75  -9.681  -4.843   1.425
  554    HA   ILE  75           HA       ILE  75  -7.995  -6.248  -0.477
  555    HB   ILE  75           HB       ILE  75  -7.578  -3.592   0.843
  556   HG12  ILE  75          HG12      ILE  75  -8.509  -4.218  -1.991
  557   HG13  ILE  75          HG11      ILE  75  -9.522  -3.577  -0.664
  558   HG21  ILE  75          HG21      ILE  75  -5.510  -4.800   0.068
  559   HG22  ILE  75          HG22      ILE  75  -5.758  -3.183  -0.589
  560   HG23  ILE  75          HG23      ILE  75  -6.124  -4.601  -1.571
  561   HD11  ILE  75          HD11      ILE  75  -8.565  -1.965  -2.441
  562   HD12  ILE  75          HD12      ILE  75  -7.063  -2.107  -1.528
  563   HD13  ILE  75          HD13      ILE  75  -8.518  -1.500  -0.742
  564    H    SER  76           HN       SER  76  -7.705  -5.148   2.884
  565    HA   SER  76           HA       SER  76  -5.025  -6.118   3.122
  566    HB2  SER  76           HB2      SER  76  -5.737  -4.319   4.571
  567    HB3  SER  76           HB1      SER  76  -7.029  -5.319   5.250
  568    HG   SER  76           HG       SER  76  -5.579  -5.866   6.675
  569    H    ASN  77           HN       ASN  77  -8.124  -7.513   3.340
  570    HA   ASN  77           HA       ASN  77  -7.439  -9.920   4.718
  571    HB2  ASN  77           HB2      ASN  77  -9.496  -9.369   2.557
  572    HB3  ASN  77           HB1      ASN  77  -9.334 -10.912   3.400
  573   HD21  ASN  77          HD21      ASN  77  -8.575  -8.762   5.698
  574   HD22  ASN  77          HD22      ASN  77 -10.147  -8.473   6.374
  575    H    ASP  78           HN       ASP  78  -6.939  -8.578   1.554
  576    HA   ASP  78           HA       ASP  78  -5.865 -11.047   0.468
  577    HB2  ASP  78           HB2      ASP  78  -6.260  -8.291  -0.698
  578    HB3  ASP  78           HB1      ASP  78  -5.399  -9.576  -1.569
  579    H    ILE  79           HN       ILE  79  -4.655  -8.007   1.769
  580    HA   ILE  79           HA       ILE  79  -2.040  -8.388   0.720
  581    HB   ILE  79           HB       ILE  79  -2.713  -6.680   3.151
  582   HG12  ILE  79          HG12      ILE  79  -2.730  -5.936   0.215
  583   HG13  ILE  79          HG11      ILE  79  -4.197  -6.214   1.175
  584   HG21  ILE  79          HG21      ILE  79  -0.303  -7.132   2.558
  585   HG22  ILE  79          HG22      ILE  79  -0.761  -5.428   2.489
  586   HG23  ILE  79          HG23      ILE  79  -0.602  -6.361   1.003
  587   HD11  ILE  79          HD11      ILE  79  -3.160  -4.358   2.695
  588   HD12  ILE  79          HD12      ILE  79  -4.022  -3.930   1.214
  589   HD13  ILE  79          HD13      ILE  79  -2.258  -3.955   1.235
  590    H    ASN  80           HN       ASN  80  -3.743  -9.788   3.262
  591    HA   ASN  80           HA       ASN  80  -1.579 -10.554   4.942
  592    HB2  ASN  80           HB2      ASN  80  -4.358 -11.663   4.544
  593    HB3  ASN  80           HB1      ASN  80  -3.228 -12.286   5.728
  594   HD21  ASN  80          HD21      ASN  80  -2.518  -9.127   5.592
  595   HD22  ASN  80          HD22      ASN  80  -3.565  -8.525   6.840
  596    H    LYS  81           HN       LYS  81  -3.210 -12.019   2.138
  597    HA   LYS  81           HA       LYS  81  -1.469 -14.306   2.260
  598    HB2  LYS  81           HB2      LYS  81  -2.530 -14.925   0.045
  599    HB3  LYS  81           HB1      LYS  81  -3.572 -14.904   1.455
  600    HG2  LYS  81           HG2      LYS  81  -3.446 -12.446  -0.172
  601    HG3  LYS  81           HG1      LYS  81  -4.299 -13.849  -0.847
  602    HD2  LYS  81           HD2      LYS  81  -4.800 -12.584   1.845
  603    HD3  LYS  81           HD1      LYS  81  -5.800 -12.364   0.407
  604    HE2  LYS  81           HE2      LYS  81  -5.313 -14.965   1.861
  605    HE3  LYS  81           HE1      LYS  81  -6.785 -13.999   1.928
  606    HZ1  LYS  81           HZ1      LYS  81  -5.990 -14.674  -0.756
  607    HZ2  LYS  81           HZ2      LYS  81  -7.500 -14.839   0.004
  608    HZ3  LYS  81           HZ3      LYS  81  -6.313 -16.037   0.207
  609    H    LEU  82           HN       LEU  82  -1.929 -11.614  -0.076
  610    HA   LEU  82           HA       LEU  82   0.123 -12.226  -1.795
  611    HB2  LEU  82           HB2      LEU  82  -1.138  -9.674  -0.962
  612    HB3  LEU  82           HB1      LEU  82   0.231  -9.678  -2.088
  613    HG   LEU  82           HG       LEU  82  -1.951  -9.619  -3.187
  614   HD11  LEU  82          HD11      LEU  82  -1.112 -10.703  -4.948
  615   HD12  LEU  82          HD12      LEU  82  -1.053 -12.231  -4.072
  616   HD13  LEU  82          HD13      LEU  82   0.250 -11.056  -3.884
  617   HD21  LEU  82          HD21      LEU  82  -3.374 -11.565  -3.321
  618   HD22  LEU  82          HD22      LEU  82  -3.283 -10.949  -1.671
  619   HD23  LEU  82          HD23      LEU  82  -2.360 -12.383  -2.132
  620    H    ASN  83           HN       ASN  83   0.321 -10.922   1.401
  621    HA   ASN  83           HA       ASN  83   2.057 -10.083   2.682
  622    HB2  ASN  83           HB2      ASN  83   2.213 -12.569   2.736
  623    HB3  ASN  83           HB1      ASN  83   3.376 -12.495   1.411
  624   HD21  ASN  83          HD21      ASN  83   3.891  -9.848   3.349
  625   HD22  ASN  83          HD22      ASN  83   5.151 -10.495   4.355
  626    H    ILE  84           HN       ILE  84   2.234  -8.211   1.064
  627    HA   ILE  84           HA       ILE  84   4.424  -8.363  -0.761
  628    HB   ILE  84           HB       ILE  84   2.755  -5.977  -0.038
  629   HG12  ILE  84          HG12      ILE  84   1.398  -7.834  -0.940
  630   HG13  ILE  84          HG11      ILE  84   1.481  -6.469  -2.080
  631   HG21  ILE  84          HG21      ILE  84   4.893  -5.407  -1.086
  632   HG22  ILE  84          HG22      ILE  84   3.531  -5.045  -2.147
  633   HG23  ILE  84          HG23      ILE  84   4.511  -6.482  -2.431
  634   HD11  ILE  84          HD11      ILE  84   1.797  -8.273  -3.465
  635   HD12  ILE  84          HD12      ILE  84   2.705  -9.185  -2.259
  636   HD13  ILE  84          HD13      ILE  84   3.463  -7.828  -3.093
  637    H    LYS  85           HN       LYS  85   6.392  -8.495   0.225
  638    HA   LYS  85           HA       LYS  85   7.248  -6.053   1.541
  639    HB2  LYS  85           HB2      LYS  85   6.454  -7.770   3.275
  640    HB3  LYS  85           HB1      LYS  85   7.844  -8.729   2.804
  641    HG2  LYS  85           HG2      LYS  85   8.018  -5.925   3.875
  642    HG3  LYS  85           HG1      LYS  85   8.155  -7.383   4.858
  643    HD2  LYS  85           HD2      LYS  85  10.118  -8.071   3.608
  644    HD3  LYS  85           HD1      LYS  85   9.938  -6.690   2.522
  645    HE2  LYS  85           HE2      LYS  85  10.331  -5.164   4.394
  646    HE3  LYS  85           HE1      LYS  85  10.479  -6.537   5.492
  647    HZ1  LYS  85           HZ1      LYS  85  12.340  -7.271   3.887
  648    HZ2  LYS  85           HZ2      LYS  85  12.663  -6.021   4.994
  649    HZ3  LYS  85           HZ3      LYS  85  12.329  -5.651   3.366
  650    H    GLY  86           HN       GLY  86   8.540  -5.591  -0.164
  651    HA2  GLY  86           HA2      GLY  86  10.562  -5.513  -1.276
  652    HA3  GLY  86           HA1      GLY  86  11.090  -6.908  -0.308
  653    HA   PRO  87           HA       PRO  87  12.547  -6.146  -1.986
  654    HB2  PRO  87           HB2      PRO  87  13.706  -5.769  -4.365
  655    HB3  PRO  87           HB1      PRO  87  13.771  -7.314  -3.514
  656    HG2  PRO  87           HG2      PRO  87  12.015  -6.479  -5.785
  657    HG3  PRO  87           HG1      PRO  87  12.897  -8.003  -5.563
  658    HD2  PRO  87           HD2      PRO  87  10.206  -7.661  -4.978
  659    HD3  PRO  87           HD1      PRO  87  11.261  -8.906  -4.239
  660    H    TYR  88           HN       TYR  88  13.482  -3.977  -3.003
  661    HA   TYR  88           HA       TYR  88  12.418  -1.799  -2.411
  662    HB2  TYR  88           HB2      TYR  88  13.310  -2.183  -5.276
  663    HB3  TYR  88           HB1      TYR  88  12.996  -0.580  -4.536
  664    HD1  TYR  88           HD1      TYR  88  14.829  -3.648  -3.328
  665    HD2  TYR  88           HD2      TYR  88  14.980   0.510  -4.211
  666    HE1  TYR  88           HE1      TYR  88  17.136  -3.559  -2.492
  667    HE2  TYR  88           HE2      TYR  88  17.288   0.608  -3.379
  668    HH   TYR  88           HH       TYR  88  18.782  -0.579  -1.951
  669    H    ILE  89           HN       ILE  89  10.274  -1.608  -2.009
  670    HA   ILE  89           HA       ILE  89   8.334  -2.024  -4.127
  671    HB   ILE  89           HB       ILE  89   7.868  -1.289  -1.233
  672   HG12  ILE  89          HG12      ILE  89   7.906  -3.981  -2.647
  673   HG13  ILE  89          HG11      ILE  89   9.136  -3.452  -1.470
  674   HG21  ILE  89          HG21      ILE  89   5.671  -2.405  -1.733
  675   HG22  ILE  89          HG22      ILE  89   6.114  -2.333  -3.438
  676   HG23  ILE  89          HG23      ILE  89   5.934  -0.843  -2.511
  677   HD11  ILE  89          HD11      ILE  89   7.003  -4.980  -0.885
  678   HD12  ILE  89          HD12      ILE  89   6.337  -3.383  -0.551
  679   HD13  ILE  89          HD13      ILE  89   7.800  -3.919   0.276
  680    H    GLU  90           HN       GLU  90   6.931  -0.618  -4.932
  681    HA   GLU  90           HA       GLU  90   7.020   2.182  -4.058
  682    HB2  GLU  90           HB2      GLU  90   8.334   1.955  -6.167
  683    HB3  GLU  90           HB1      GLU  90   6.884   1.303  -6.955
  684    HG2  GLU  90           HG2      GLU  90   7.139   3.619  -7.536
  685    HG3  GLU  90           HG1      GLU  90   5.725   3.433  -6.496
  686    H    ILE  91           HN       ILE  91   5.107   1.879  -2.945
  687    HA   ILE  91           HA       ILE  91   2.765   0.815  -4.312
  688    HB   ILE  91           HB       ILE  91   2.717   1.786  -1.480
  689   HG12  ILE  91          HG12      ILE  91   3.928  -0.839  -2.337
  690   HG13  ILE  91          HG11      ILE  91   4.839   0.525  -1.710
  691   HG21  ILE  91          HG21      ILE  91   0.867   0.539  -1.354
  692   HG22  ILE  91          HG22      ILE  91   1.724  -0.869  -1.966
  693   HG23  ILE  91          HG23      ILE  91   1.006   0.272  -3.098
  694   HD11  ILE  91          HD11      ILE  91   4.029  -1.506  -0.193
  695   HD12  ILE  91          HD12      ILE  91   2.605  -0.474  -0.051
  696   HD13  ILE  91          HD13      ILE  91   4.191   0.137   0.429
  697    H    LYS  92           HN       LYS  92   1.443   2.244  -5.356
  698    HA   LYS  92           HA       LYS  92   0.557   4.664  -4.147
  699    HB2  LYS  92           HB2      LYS  92   1.339   6.194  -5.974
  700    HB3  LYS  92           HB1      LYS  92   2.608   5.626  -4.888
  701    HG2  LYS  92           HG2      LYS  92   3.299   5.720  -7.264
  702    HG3  LYS  92           HG1      LYS  92   3.428   4.104  -6.565
  703    HD2  LYS  92           HD2      LYS  92   1.564   3.328  -7.714
  704    HD3  LYS  92           HD1      LYS  92   0.983   4.952  -8.051
  705    HE2  LYS  92           HE2      LYS  92   1.924   3.691 -10.017
  706    HE3  LYS  92           HE1      LYS  92   2.632   5.275  -9.724
  707    HZ1  LYS  92           HZ1      LYS  92   4.629   4.430  -9.152
  708    HZ2  LYS  92           HZ2      LYS  92   4.120   3.153 -10.150
  709    HZ3  LYS  92           HZ3      LYS  92   3.976   3.021  -8.467
  710    H    GLN  93           HN       GLN  93  -0.847   5.961  -5.820
  711    HA   GLN  93           HA       GLN  93  -2.411   3.957  -7.222
  712    HB2  GLN  93           HB2      GLN  93  -4.009   5.744  -7.724
  713    HB3  GLN  93           HB1      GLN  93  -3.774   5.452  -5.995
  714    HG2  GLN  93           HG2      GLN  93  -2.236   7.358  -5.921
  715    HG3  GLN  93           HG1      GLN  93  -2.594   7.699  -7.611
  716   HE21  GLN  93          HE21      GLN  93  -5.365   6.513  -6.417
  717   HE22  GLN  93          HE22      GLN  93  -6.147   7.972  -5.923
  718    H    ILE  94           HN       ILE  94  -3.102   4.257  -9.354
  719    HA   ILE  94           HA       ILE  94  -1.039   5.486 -11.059
  720    HB   ILE  94           HB       ILE  94  -1.263   3.406 -12.412
  721   HG12  ILE  94          HG12      ILE  94  -2.837   2.613  -9.965
  722   HG13  ILE  94          HG11      ILE  94  -3.349   2.601 -11.647
  723   HG21  ILE  94          HG21      ILE  94  -0.201   2.046 -10.276
  724   HG22  ILE  94          HG22      ILE  94   0.043   3.737  -9.841
  725   HG23  ILE  94          HG23      ILE  94   0.686   3.115 -11.364
  726   HD11  ILE  94          HD11      ILE  94  -2.895   0.447 -11.617
  727   HD12  ILE  94          HD12      ILE  94  -2.009   0.593 -10.099
  728   HD13  ILE  94          HD13      ILE  94  -1.195   0.916 -11.632
  Start of MODEL   13
    1    H    ASP   1           HT1      ASP   1  24.561   8.675  12.916
    2    HA   ASP   1           HA       ASP   1  22.718   9.889  11.400
    3    HB2  ASP   1           HB2      ASP   1  25.259   8.500  10.507
    4    HB3  ASP   1           HB1      ASP   1  24.431   9.761   9.602
    5    H    ASN   2           HN       ASN   2  21.996   9.478   9.173
    6    HA   ASN   2           HA       ASN   2  21.056   6.708   8.906
    7    HB2  ASN   2           HB2      ASN   2  20.032   9.254   7.637
    8    HB3  ASN   2           HB1      ASN   2  19.402   7.648   7.293
    9   HD21  ASN   2          HD21      ASN   2  18.814  10.346   8.970
   10   HD22  ASN   2          HD22      ASN   2  17.899   9.696  10.286
   11    H    GLN   3           HN       GLN   3  23.120   6.018   8.093
   12    HA   GLN   3           HA       GLN   3  24.016   6.988   5.516
   13    HB2  GLN   3           HB2      GLN   3  24.815   4.481   7.017
   14    HB3  GLN   3           HB1      GLN   3  25.662   5.194   5.651
   15    HG2  GLN   3           HG2      GLN   3  25.318   6.473   8.355
   16    HG3  GLN   3           HG1      GLN   3  26.771   5.658   7.781
   17   HE21  GLN   3          HE21      GLN   3  28.284   6.999   7.162
   18   HE22  GLN   3          HE22      GLN   3  28.050   8.546   6.428
   19    H    LYS   4           HN       LYS   4  21.887   4.663   6.822
   20    HA   LYS   4           HA       LYS   4  21.483   3.243   4.296
   21    HB2  LYS   4           HB2      LYS   4  19.817   1.945   5.649
   22    HB3  LYS   4           HB1      LYS   4  21.453   1.871   6.296
   23    HG2  LYS   4           HG2      LYS   4  20.900   3.547   7.965
   24    HG3  LYS   4           HG1      LYS   4  19.278   3.705   7.291
   25    HD2  LYS   4           HD2      LYS   4  20.418   1.192   8.511
   26    HD3  LYS   4           HD1      LYS   4  19.344   2.326   9.334
   27    HE2  LYS   4           HE2      LYS   4  17.656   1.912   7.540
   28    HE3  LYS   4           HE1      LYS   4  18.719   0.657   6.901
   29    HZ1  LYS   4           HZ1      LYS   4  18.119  -0.767   8.498
   30    HZ2  LYS   4           HZ2      LYS   4  16.789   0.258   8.731
   31    HZ3  LYS   4           HZ3      LYS   4  18.158   0.409   9.721
   32    H    ALA   5           HN       ALA   5  20.461   5.955   5.947
   33    HA   ALA   5           HA       ALA   5  18.879   7.534   5.618
   34    HB1  ALA   5           HB1      ALA   5  17.998   7.824   3.587
   35    HB2  ALA   5           HB2      ALA   5  17.252   6.225   3.578
   36    HB3  ALA   5           HB3      ALA   5  18.945   6.410   3.122
   37    H    LEU   6           HN       LEU   6  16.736   7.929   6.282
   38    HA   LEU   6           HA       LEU   6  15.587   5.635   7.735
   39    HB2  LEU   6           HB2      LEU   6  16.614   7.610   8.959
   40    HB3  LEU   6           HB1      LEU   6  15.321   8.596   8.324
   41    HG   LEU   6           HG       LEU   6  14.717   6.211  10.067
   42   HD11  LEU   6          HD11      LEU   6  16.412   7.784  11.117
   43   HD12  LEU   6          HD12      LEU   6  14.913   7.535  12.011
   44   HD13  LEU   6          HD13      LEU   6  15.146   9.012  11.076
   45   HD21  LEU   6          HD21      LEU   6  13.283   8.847   9.803
   46   HD22  LEU   6          HD22      LEU   6  12.702   7.369  10.568
   47   HD23  LEU   6          HD23      LEU   6  12.895   7.438   8.816
   48    H    GLU   7           HN       GLU   7  15.155   7.276   5.021
   49    HA   GLU   7           HA       GLU   7  12.679   8.343   4.829
   50    HB2  GLU   7           HB2      GLU   7  14.313   8.359   3.029
   51    HB3  GLU   7           HB1      GLU   7  14.073   6.638   2.769
   52    HG2  GLU   7           HG2      GLU   7  11.802   7.026   2.050
   53    HG3  GLU   7           HG1      GLU   7  11.957   8.746   2.406
   54    H    GLU   8           HN       GLU   8  13.349   4.832   4.773
   55    HA   GLU   8           HA       GLU   8  10.868   4.057   3.792
   56    HB2  GLU   8           HB2      GLU   8  11.271   1.837   4.863
   57    HB3  GLU   8           HB1      GLU   8  12.557   2.409   3.818
   58    HG2  GLU   8           HG2      GLU   8  12.647   2.706   6.803
   59    HG3  GLU   8           HG1      GLU   8  13.223   1.267   5.969
   60    H    GLN   9           HN       GLN   9  11.790   4.356   7.235
   61    HA   GLN   9           HA       GLN   9   8.954   4.116   7.884
   62    HB2  GLN   9           HB2      GLN   9   9.654   4.234  10.276
   63    HB3  GLN   9           HB1      GLN   9  10.267   2.846   9.400
   64    HG2  GLN   9           HG2      GLN   9  11.907   5.316   9.860
   65    HG3  GLN   9           HG1      GLN   9  11.843   3.984  11.012
   66   HE21  GLN   9          HE21      GLN   9  13.617   5.248   8.620
   67   HE22  GLN   9          HE22      GLN   9  14.392   3.822   8.014
   68    H    MET  10           HN       MET  10  10.407   6.451   6.532
   69    HA   MET  10           HA       MET  10   9.581   8.542   8.442
   70    HB2  MET  10           HB2      MET  10  11.878   8.766   7.605
   71    HB3  MET  10           HB1      MET  10  11.283   8.793   5.951
   72    HG2  MET  10           HG2      MET  10  11.830  11.025   6.728
   73    HG3  MET  10           HG1      MET  10  10.106  10.876   6.393
   74    HE1  MET  10           HE1      MET  10  11.304  13.393   8.803
   75    HE2  MET  10           HE2      MET  10   9.551  13.294   8.986
   76    HE3  MET  10           HE3      MET  10  10.283  13.103   7.393
   77    H    ASN  11           HN       ASN  11   9.669   8.468   4.876
   78    HA   ASN  11           HA       ASN  11   6.866   9.391   4.910
   79    HB2  ASN  11           HB2      ASN  11   8.984   9.651   2.787
   80    HB3  ASN  11           HB1      ASN  11   7.265   9.905   2.474
   81   HD21  ASN  11          HD21      ASN  11   7.708  10.862   5.565
   82   HD22  ASN  11          HD22      ASN  11   8.045  12.541   5.321
   83    H    SER  12           HN       SER  12   9.111   7.178   3.522
   84    HA   SER  12           HA       SER  12   7.885   6.176   1.446
   85    HB2  SER  12           HB2      SER  12  10.056   5.404   2.215
   86    HB3  SER  12           HB1      SER  12   9.307   4.598   3.609
   87    HG   SER  12           HG       SER  12   8.638   3.915   0.925
   88    H    ILE  13           HN       ILE  13   7.593   4.424   4.484
   89    HA   ILE  13           HA       ILE  13   5.187   3.092   3.580
   90    HB   ILE  13           HB       ILE  13   6.796   2.794   6.093
   91   HG12  ILE  13          HG12      ILE  13   6.948   1.280   3.495
   92   HG13  ILE  13          HG11      ILE  13   8.116   2.485   4.093
   93   HG21  ILE  13          HG21      ILE  13   4.352   1.829   5.847
   94   HG22  ILE  13          HG22      ILE  13   5.631   0.871   6.597
   95   HG23  ILE  13          HG23      ILE  13   5.186   0.585   4.914
   96   HD11  ILE  13          HD11      ILE  13   7.485   0.062   5.727
   97   HD12  ILE  13          HD12      ILE  13   8.948   1.047   5.696
   98   HD13  ILE  13          HD13      ILE  13   8.599  -0.057   4.365
   99    H    ASN  14           HN       ASN  14   5.938   5.855   5.296
  100    HA   ASN  14           HA       ASN  14   3.566   5.735   7.008
  101    HB2  ASN  14           HB2      ASN  14   5.652   7.897   6.693
  102    HB3  ASN  14           HB1      ASN  14   4.235   8.049   7.723
  103   HD21  ASN  14          HD21      ASN  14   5.011   4.880   7.817
  104   HD22  ASN  14          HD22      ASN  14   6.037   4.867   9.208
  105    H    SER  15           HN       SER  15   4.778   7.823   4.380
  106    HA   SER  15           HA       SER  15   2.303   9.150   3.973
  107    HB2  SER  15           HB2      SER  15   4.567   8.757   2.011
  108    HB3  SER  15           HB1      SER  15   3.218   9.883   1.830
  109    HG   SER  15           HG       SER  15   4.570  10.146   4.218
  110    H    VAL  16           HN       VAL  16   3.513   6.036   3.112
  111    HA   VAL  16           HA       VAL  16   1.996   5.474   0.803
  112    HB   VAL  16           HB       VAL  16   3.836   4.058   2.128
  113   HG11  VAL  16          HG11      VAL  16   2.421   3.614   4.075
  114   HG12  VAL  16          HG12      VAL  16   2.938   2.131   3.274
  115   HG13  VAL  16          HG13      VAL  16   1.291   2.728   3.047
  116   HG21  VAL  16          HG21      VAL  16   3.372   2.150   0.813
  117   HG22  VAL  16          HG22      VAL  16   2.962   3.578  -0.136
  118   HG23  VAL  16          HG23      VAL  16   1.684   2.618   0.616
  119    H    ASN  17           HN       ASN  17   1.243   5.576   4.184
  120    HA   ASN  17           HA       ASN  17  -1.380   4.421   3.840
  121    HB2  ASN  17           HB2      ASN  17  -0.098   5.692   6.264
  122    HB3  ASN  17           HB1      ASN  17  -1.641   4.836   6.248
  123   HD21  ASN  17          HD21      ASN  17   1.289   4.428   7.300
  124   HD22  ASN  17          HD22      ASN  17   1.554   2.754   6.984
  125    H    ASP  18           HN       ASP  18   0.056   7.525   3.677
  126    HA   ASP  18           HA       ASP  18  -2.231   9.075   4.375
  127    HB2  ASP  18           HB2      ASP  18   0.224   9.623   2.694
  128    HB3  ASP  18           HB1      ASP  18  -1.005  10.824   2.988
  129    H    LYS  19           HN       LYS  19  -1.484   7.119   1.675
  130    HA   LYS  19           HA       LYS  19  -3.407   8.505  -0.076
  131    HB2  LYS  19           HB2      LYS  19  -1.803   5.986  -0.554
  132    HB3  LYS  19           HB1      LYS  19  -2.958   6.664  -1.690
  133    HG2  LYS  19           HG2      LYS  19  -0.859   7.326  -2.472
  134    HG3  LYS  19           HG1      LYS  19  -1.554   8.768  -1.714
  135    HD2  LYS  19           HD2      LYS  19   0.696   8.705  -1.051
  136    HD3  LYS  19           HD1      LYS  19  -0.213   8.100   0.338
  137    HE2  LYS  19           HE2      LYS  19   1.750   6.726  -0.047
  138    HE3  LYS  19           HE1      LYS  19   0.274   5.804  -0.336
  139    HZ1  LYS  19           HZ1      LYS  19   1.617   5.260  -2.129
  140    HZ2  LYS  19           HZ2      LYS  19   2.238   6.826  -2.301
  141    HZ3  LYS  19           HZ3      LYS  19   0.644   6.486  -2.781
  142    H    LEU  20           HN       LEU  20  -2.851   5.617   1.701
  143    HA   LEU  20           HA       LEU  20  -5.169   4.271   0.894
  144    HB2  LEU  20           HB2      LEU  20  -3.397   3.945   3.300
  145    HB3  LEU  20           HB1      LEU  20  -4.528   2.732   2.709
  146    HG   LEU  20           HG       LEU  20  -2.136   3.751   1.165
  147   HD11  LEU  20          HD11      LEU  20  -2.117   2.048   3.332
  148   HD12  LEU  20          HD12      LEU  20  -0.870   2.176   2.092
  149   HD13  LEU  20          HD13      LEU  20  -2.138   0.958   1.945
  150   HD21  LEU  20          HD21      LEU  20  -4.421   2.606   0.187
  151   HD22  LEU  20          HD22      LEU  20  -3.365   1.212   0.415
  152   HD23  LEU  20          HD23      LEU  20  -2.839   2.560  -0.592
  153    H    ASN  21           HN       ASN  21  -4.247   6.186   3.653
  154    HA   ASN  21           HA       ASN  21  -6.671   5.869   5.117
  155    HB2  ASN  21           HB2      ASN  21  -4.217   7.585   5.401
  156    HB3  ASN  21           HB1      ASN  21  -5.606   7.858   6.446
  157   HD21  ASN  21          HD21      ASN  21  -5.399   4.611   5.661
  158   HD22  ASN  21          HD22      ASN  21  -4.548   4.057   7.071
  159    H    LYS  22           HN       LYS  22  -8.461   6.696   3.881
  160    HA   LYS  22           HA       LYS  22  -8.133   9.556   3.221
  161    HB2  LYS  22           HB2      LYS  22  -9.489   7.437   1.591
  162    HB3  LYS  22           HB1      LYS  22  -9.749   9.168   1.320
  163    HG2  LYS  22           HG2      LYS  22  -7.310   9.438   1.000
  164    HG3  LYS  22           HG1      LYS  22  -7.125   7.688   1.155
  165    HD2  LYS  22           HD2      LYS  22  -8.498   7.327  -0.789
  166    HD3  LYS  22           HD1      LYS  22  -8.843   9.055  -0.915
  167    HE2  LYS  22           HE2      LYS  22  -6.145   7.739  -1.231
  168    HE3  LYS  22           HE1      LYS  22  -7.139   8.403  -2.528
  169    HZ1  LYS  22           HZ1      LYS  22  -5.204   9.790  -1.433
  170    HZ2  LYS  22           HZ2      LYS  22  -6.411  10.176  -0.307
  171    HZ3  LYS  22           HZ3      LYS  22  -6.639  10.538  -1.950
  172    H    GLY  23           HN       GLY  23 -10.625   7.203   4.235
  173    HA2  GLY  23           HA2      GLY  23 -11.903   9.087   5.833
  174    HA3  GLY  23           HA1      GLY  23 -12.695   9.062   4.251
  175    H    LYS  24           HN       LYS  24 -14.139   7.511   3.815
  176    HA   LYS  24           HA       LYS  24 -15.437   6.070   5.765
  177    HB2  LYS  24           HB2      LYS  24 -16.298   6.502   3.501
  178    HB3  LYS  24           HB1      LYS  24 -15.169   5.302   2.850
  179    HG2  LYS  24           HG2      LYS  24 -16.322   3.544   3.714
  180    HG3  LYS  24           HG1      LYS  24 -17.063   4.491   5.008
  181    HD2  LYS  24           HD2      LYS  24 -18.746   3.896   3.399
  182    HD3  LYS  24           HD1      LYS  24 -18.438   5.632   3.315
  183    HE2  LYS  24           HE2      LYS  24 -17.019   5.272   1.340
  184    HE3  LYS  24           HE1      LYS  24 -17.356   3.541   1.424
  185    HZ1  LYS  24           HZ1      LYS  24 -18.990   4.090  -0.007
  186    HZ2  LYS  24           HZ2      LYS  24 -19.037   5.717   0.490
  187    HZ3  LYS  24           HZ3      LYS  24 -19.829   4.530   1.405
  188    H    GLY  25           HN       GLY  25 -12.889   5.048   3.629
  189    HA2  GLY  25           HA2      GLY  25 -12.172   3.015   5.573
  190    HA3  GLY  25           HA1      GLY  25 -12.358   2.500   3.918
  191    H    LYS  26           HN       LYS  26 -10.081   2.325   5.495
  192    HA   LYS  26           HA       LYS  26  -8.177   3.909   3.971
  193    HB2  LYS  26           HB2      LYS  26  -7.150   4.329   6.309
  194    HB3  LYS  26           HB1      LYS  26  -8.493   5.339   5.755
  195    HG2  LYS  26           HG2      LYS  26  -9.983   3.642   6.833
  196    HG3  LYS  26           HG1      LYS  26  -8.535   3.008   7.626
  197    HD2  LYS  26           HD2      LYS  26  -9.657   4.541   9.134
  198    HD3  LYS  26           HD1      LYS  26  -8.131   5.251   8.605
  199    HE2  LYS  26           HE2      LYS  26 -10.706   5.859   7.195
  200    HE3  LYS  26           HE1      LYS  26 -10.246   6.739   8.658
  201    HZ1  LYS  26           HZ1      LYS  26  -9.514   8.021   6.846
  202    HZ2  LYS  26           HZ2      LYS  26  -8.857   6.681   6.044
  203    HZ3  LYS  26           HZ3      LYS  26  -8.112   7.276   7.447
  204    H    LEU  27           HN       LEU  27  -5.954   3.137   4.305
  205    HA   LEU  27           HA       LEU  27  -5.814   0.435   5.413
  206    HB2  LEU  27           HB2      LEU  27  -6.024   0.061   3.138
  207    HB3  LEU  27           HB1      LEU  27  -4.871   1.349   2.722
  208    HG   LEU  27           HG       LEU  27  -3.056   0.015   3.702
  209   HD11  LEU  27          HD11      LEU  27  -4.251  -2.561   3.747
  210   HD12  LEU  27          HD12      LEU  27  -5.220  -1.506   4.776
  211   HD13  LEU  27          HD13      LEU  27  -3.491  -1.686   5.075
  212   HD21  LEU  27          HD21      LEU  27  -4.282  -0.327   1.267
  213   HD22  LEU  27          HD22      LEU  27  -4.159  -1.979   1.871
  214   HD23  LEU  27          HD23      LEU  27  -2.711  -0.983   1.727
  215    H    SER  28           HN       SER  28  -3.882  -0.118   6.375
  216    HA   SER  28           HA       SER  28  -1.803   1.958   6.511
  217    HB2  SER  28           HB2      SER  28  -3.356   1.839   8.565
  218    HB3  SER  28           HB1      SER  28  -2.664   0.231   8.837
  219    HG   SER  28           HG       SER  28  -1.420   2.764   8.996
  220    H    LEU  29           HN       LEU  29   0.275   1.146   6.373
  221    HA   LEU  29           HA       LEU  29   0.509  -1.786   6.456
  222    HB2  LEU  29           HB2      LEU  29   2.082  -0.024   4.587
  223    HB3  LEU  29           HB1      LEU  29   1.968  -1.804   4.614
  224    HG   LEU  29           HG       LEU  29  -0.400  -0.035   4.036
  225   HD11  LEU  29          HD11      LEU  29   1.345   0.381   2.353
  226   HD12  LEU  29          HD12      LEU  29  -0.008  -0.515   1.664
  227   HD13  LEU  29          HD13      LEU  29   1.487  -1.354   2.073
  228   HD21  LEU  29          HD21      LEU  29   0.179  -2.940   4.042
  229   HD22  LEU  29          HD22      LEU  29  -0.889  -2.320   2.781
  230   HD23  LEU  29          HD23      LEU  29  -1.293  -2.072   4.481
  231    H    SER  30           HN       SER  30   2.632  -2.571   6.932
  232    HA   SER  30           HA       SER  30   4.696  -0.819   7.840
  233    HB2  SER  30           HB2      SER  30   3.181  -0.783   9.815
  234    HB3  SER  30           HB1      SER  30   3.264  -2.542   9.896
  235    HG   SER  30           HG       SER  30   5.618  -0.971   9.961
  236    H    MET  31           HN       MET  31   6.486  -2.361   8.892
  237    HA   MET  31           HA       MET  31   6.291  -5.005   7.620
  238    HB2  MET  31           HB2      MET  31   8.740  -3.224   7.466
  239    HB3  MET  31           HB1      MET  31   8.588  -4.888   6.843
  240    HG2  MET  31           HG2      MET  31   6.892  -4.134   5.258
  241    HG3  MET  31           HG1      MET  31   7.032  -2.487   5.874
  242    HE1  MET  31           HE1      MET  31   7.301  -3.299   2.793
  243    HE2  MET  31           HE2      MET  31   8.687  -2.329   2.295
  244    HE3  MET  31           HE3      MET  31   7.455  -1.631   3.346
  245    H    ASN  32           HN       ASN  32   7.931  -6.507   8.392
  246    HA   ASN  32           HA       ASN  32   9.143  -5.826  10.964
  247    HB2  ASN  32           HB2      ASN  32   7.024  -7.014  11.513
  248    HB3  ASN  32           HB1      ASN  32   7.547  -8.370  10.497
  249   HD21  ASN  32          HD21      ASN  32   8.259 -10.005  11.640
  250   HD22  ASN  32          HD22      ASN  32   9.169  -9.904  13.120
  251    H    GLY  33           HN       GLY  33  11.066  -5.719   9.737
  252    HA2  GLY  33           HA2      GLY  33  13.055  -6.689   8.923
  253    HA3  GLY  33           HA1      GLY  33  12.298  -8.292   9.095
  254    H    ASN  34           HN       ASN  34  11.573  -9.256   7.309
  255    HA   ASN  34           HA       ASN  34  11.243  -7.607   4.888
  256    HB2  ASN  34           HB2      ASN  34  11.860 -10.561   5.130
  257    HB3  ASN  34           HB1      ASN  34  11.566  -9.716   3.609
  258   HD21  ASN  34          HD21      ASN  34  13.906 -10.813   5.616
  259   HD22  ASN  34          HD22      ASN  34  15.208  -9.749   5.157
  260    H    GLN  35           HN       GLN  35   9.367  -7.897   6.992
  261    HA   GLN  35           HA       GLN  35   7.257  -9.578   5.904
  262    HB2  GLN  35           HB2      GLN  35   7.815  -8.406   8.567
  263    HB3  GLN  35           HB1      GLN  35   6.142  -8.706   8.133
  264    HG2  GLN  35           HG2      GLN  35   8.356 -10.748   8.076
  265    HG3  GLN  35           HG1      GLN  35   7.173 -10.571   9.374
  266   HE21  GLN  35          HE21      GLN  35   5.610 -11.994   9.279
  267   HE22  GLN  35          HE22      GLN  35   4.931 -12.687   7.836
  268    H    LEU  36           HN       LEU  36   5.049  -8.802   6.033
  269    HA   LEU  36           HA       LEU  36   4.782  -5.942   5.457
  270    HB2  LEU  36           HB2      LEU  36   4.996  -7.105   3.385
  271    HB3  LEU  36           HB1      LEU  36   3.752  -8.276   3.838
  272    HG   LEU  36           HG       LEU  36   3.040  -6.630   2.117
  273   HD11  LEU  36          HD11      LEU  36   0.980  -5.798   3.510
  274   HD12  LEU  36          HD12      LEU  36   1.634  -6.891   4.727
  275   HD13  LEU  36          HD13      LEU  36   1.193  -7.507   3.135
  276   HD21  LEU  36          HD21      LEU  36   4.226  -4.663   2.780
  277   HD22  LEU  36          HD22      LEU  36   3.413  -4.634   4.345
  278   HD23  LEU  36          HD23      LEU  36   2.497  -4.323   2.872
  279    H    LYS  37           HN       LYS  37   3.240  -5.043   6.607
  280    HA   LYS  37           HA       LYS  37   1.232  -6.785   7.881
  281    HB2  LYS  37           HB2      LYS  37   2.667  -4.429   9.135
  282    HB3  LYS  37           HB1      LYS  37   1.651  -5.627   9.961
  283    HG2  LYS  37           HG2      LYS  37   4.284  -6.238   8.594
  284    HG3  LYS  37           HG1      LYS  37   4.108  -5.915  10.330
  285    HD2  LYS  37           HD2      LYS  37   2.868  -8.200   8.791
  286    HD3  LYS  37           HD1      LYS  37   4.254  -8.309   9.865
  287    HE2  LYS  37           HE2      LYS  37   2.813  -7.591  11.746
  288    HE3  LYS  37           HE1      LYS  37   1.430  -7.587  10.654
  289    HZ1  LYS  37           HZ1      LYS  37   2.985  -9.890  11.648
  290    HZ2  LYS  37           HZ2      LYS  37   2.095 -10.008  10.205
  291    HZ3  LYS  37           HZ3      LYS  37   1.299  -9.645  11.661
  292    H    ALA  38           HN       ALA  38  -0.622  -6.163   6.889
  293    HA   ALA  38           HA       ALA  38  -1.164  -3.294   6.549
  294    HB1  ALA  38           HB1      ALA  38  -3.076  -4.972   5.234
  295    HB2  ALA  38           HB2      ALA  38  -1.442  -5.496   4.818
  296    HB3  ALA  38           HB3      ALA  38  -1.932  -3.825   4.536
  297    H    THR  39           HN       THR  39  -3.026  -2.388   7.139
  298    HA   THR  39           HA       THR  39  -5.095  -3.911   8.469
  299    HB   THR  39           HB       THR  39  -5.097  -2.157  10.344
  300    HG1  THR  39           HG1      THR  39  -2.590  -1.716   9.162
  301   HG21  THR  39          HG21      THR  39  -2.623  -3.749  10.657
  302   HG22  THR  39          HG22      THR  39  -4.131  -4.623  10.391
  303   HG23  THR  39          HG23      THR  39  -3.980  -3.522  11.761
  304    H    SER  40           HN       SER  40  -7.034  -3.123   7.938
  305    HA   SER  40           HA       SER  40  -7.206  -0.427   6.700
  306    HB2  SER  40           HB2      SER  40  -9.261  -1.271   5.647
  307    HB3  SER  40           HB1      SER  40  -7.849  -2.227   5.196
  308    HG   SER  40           HG       SER  40  -8.514  -3.687   6.958
  309    H    SER  41           HN       SER  41  -8.496   1.013   7.669
  310    HA   SER  41           HA       SER  41  -9.691   0.080  10.171
  311    HB2  SER  41           HB2      SER  41  -8.196   2.017  10.346
  312    HB3  SER  41           HB1      SER  41  -9.217   2.918   9.225
  313    HG   SER  41           HG       SER  41  -9.451   2.761  11.841
  314    H    ASN  42           HN       ASN  42 -11.785   0.493  10.752
  315    HA   ASN  42           HA       ASN  42 -14.046   0.716  10.493
  316    HB2  ASN  42           HB2      ASN  42 -13.403   1.659   7.680
  317    HB3  ASN  42           HB1      ASN  42 -15.068   1.496   8.348
  318   HD21  ASN  42          HD21      ASN  42 -12.531   3.574   7.857
  319   HD22  ASN  42          HD22      ASN  42 -12.948   4.804   9.024
  320    H    ALA  43           HN       ALA  43 -11.915  -1.288   9.296
  321    HA   ALA  43           HA       ALA  43 -11.890  -3.430   8.508
  322    HB1  ALA  43           HB1      ALA  43 -13.460  -3.133  10.753
  323    HB2  ALA  43           HB2      ALA  43 -12.780  -4.640  10.135
  324    HB3  ALA  43           HB3      ALA  43 -14.422  -4.167   9.695
  325    H    GLY  44           HN       GLY  44 -12.657  -2.193   6.285
  326    HA2  GLY  44           HA2      GLY  44 -13.338  -3.532   4.389
  327    HA3  GLY  44           HA1      GLY  44 -14.778  -4.006   5.335
  328    H    TYR  45           HN       TYR  45 -13.515  -0.729   4.986
  329    HA   TYR  45           HA       TYR  45 -15.821  -0.127   3.275
  330    HB2  TYR  45           HB2      TYR  45 -14.629   1.601   5.464
  331    HB3  TYR  45           HB1      TYR  45 -15.713   2.227   4.209
  332    HD1  TYR  45           HD1      TYR  45 -17.752   2.769   5.318
  333    HD2  TYR  45           HD2      TYR  45 -15.852  -0.944   6.208
  334    HE1  TYR  45           HE1      TYR  45 -19.668   2.115   6.691
  335    HE2  TYR  45           HE2      TYR  45 -17.774  -1.597   7.581
  336    HH   TYR  45           HH       TYR  45 -20.121  -1.083   7.828
  337    H    GLY  46           HN       GLY  46 -15.448   1.398   1.602
  338    HA2  GLY  46           HA2      GLY  46 -12.615   1.574   0.826
  339    HA3  GLY  46           HA1      GLY  46 -14.003   1.862  -0.238
  340    H    ILE  47           HN       ILE  47 -12.252   3.789  -0.517
  341    HA   ILE  47           HA       ILE  47 -11.852   5.831   1.253
  342    HB   ILE  47           HB       ILE  47 -12.722   6.258  -1.586
  343   HG12  ILE  47          HG12      ILE  47 -11.018   4.592  -1.647
  344   HG13  ILE  47          HG11      ILE  47 -10.289   6.132  -2.115
  345   HG21  ILE  47          HG21      ILE  47 -11.871   8.041   0.429
  346   HG22  ILE  47          HG22      ILE  47 -12.208   8.391  -1.267
  347   HG23  ILE  47          HG23      ILE  47 -10.577   7.940  -0.766
  348   HD11  ILE  47          HD11      ILE  47  -8.862   4.805  -0.607
  349   HD12  ILE  47          HD12      ILE  47 -10.109   4.923   0.635
  350   HD13  ILE  47          HD13      ILE  47  -9.295   6.379   0.063
  351    H    SER  48           HN       SER  48 -14.444   5.608  -1.068
  352    HA   SER  48           HA       SER  48 -16.530   6.421   0.615
  353    HB2  SER  48           HB2      SER  48 -16.881   8.709  -0.340
  354    HB3  SER  48           HB1      SER  48 -15.372   8.559   0.597
  355    HG   SER  48           HG       SER  48 -15.676   9.308  -1.960
  356    H    TYR  49           HN       TYR  49 -16.973   8.061  -2.248
  357    HA   TYR  49           HA       TYR  49 -17.766   5.622  -3.707
  358    HB2  TYR  49           HB2      TYR  49 -18.919   8.383  -4.144
  359    HB3  TYR  49           HB1      TYR  49 -19.401   6.891  -4.938
  360    HD1  TYR  49           HD1      TYR  49 -19.005   7.903  -1.329
  361    HD2  TYR  49           HD2      TYR  49 -21.576   6.224  -4.306
  362    HE1  TYR  49           HE1      TYR  49 -20.747   7.558   0.359
  363    HE2  TYR  49           HE2      TYR  49 -23.304   5.886  -2.611
  364    HH   TYR  49           HH       TYR  49 -23.584   7.339   0.055
  365    H    GLU  50           HN       GLU  50 -15.453   5.708  -4.254
  366    HA   GLU  50           HA       GLU  50 -14.967   7.670  -6.375
  367    HB2  GLU  50           HB2      GLU  50 -13.140   6.801  -4.159
  368    HB3  GLU  50           HB1      GLU  50 -12.519   7.522  -5.629
  369    HG2  GLU  50           HG2      GLU  50 -14.395   8.785  -3.649
  370    HG3  GLU  50           HG1      GLU  50 -12.693   9.163  -3.930
  371    H    ASP  51           HN       ASP  51 -12.656   6.958  -7.371
  372    HA   ASP  51           HA       ASP  51 -12.470   4.087  -7.524
  373    HB2  ASP  51           HB2      ASP  51 -12.394   5.556 -10.152
  374    HB3  ASP  51           HB1      ASP  51 -12.374   3.808  -9.854
  375    H    LYS  52           HN       LYS  52 -10.468   3.429  -7.394
  376    HA   LYS  52           HA       LYS  52  -8.277   5.148  -8.239
  377    HB2  LYS  52           HB2      LYS  52  -8.646   4.018  -5.493
  378    HB3  LYS  52           HB1      LYS  52  -7.076   4.511  -6.098
  379    HG2  LYS  52           HG2      LYS  52  -7.806   6.297  -4.808
  380    HG3  LYS  52           HG1      LYS  52  -8.132   6.783  -6.464
  381    HD2  LYS  52           HD2      LYS  52 -10.504   6.081  -6.161
  382    HD3  LYS  52           HD1      LYS  52 -10.122   5.727  -4.470
  383    HE2  LYS  52           HE2      LYS  52 -11.141   7.957  -4.737
  384    HE3  LYS  52           HE1      LYS  52  -9.516   8.028  -4.054
  385    HZ1  LYS  52           HZ1      LYS  52 -10.394   8.762  -6.789
  386    HZ2  LYS  52           HZ2      LYS  52  -8.764   8.441  -6.444
  387    HZ3  LYS  52           HZ3      LYS  52  -9.565   9.710  -5.651
  388    H    ASN  53           HN       ASN  53  -6.595   3.999  -9.087
  389    HA   ASN  53           HA       ASN  53  -6.765   1.076  -8.772
  390    HB2  ASN  53           HB2      ASN  53  -5.705   2.675 -11.111
  391    HB3  ASN  53           HB1      ASN  53  -5.456   0.929 -10.916
  392   HD21  ASN  53          HD21      ASN  53  -8.423   1.672  -9.613
  393   HD22  ASN  53          HD22      ASN  53  -9.409   1.308 -11.001
  394    H    TRP  54           HN       TRP  54  -5.150   0.125  -7.753
  395    HA   TRP  54           HA       TRP  54  -2.796   1.782  -7.222
  396    HB2  TRP  54           HB2      TRP  54  -4.510   0.158  -5.480
  397    HB3  TRP  54           HB1      TRP  54  -2.768  -0.148  -5.267
  398    HD1  TRP  54           HD1      TRP  54  -5.033   3.042  -5.441
  399    HE1  TRP  54           HE1      TRP  54  -4.006   4.738  -3.787
  400    HE3  TRP  54           HE3      TRP  54  -1.105   0.279  -3.832
  401    HZ2  TRP  54           HZ2      TRP  54  -1.728   4.834  -2.074
  402    HZ3  TRP  54           HZ3      TRP  54   0.422   1.245  -2.194
  403    HH2  TRP  54           HH2      TRP  54   0.105   3.459  -1.311
  404    H    GLY  55           HN       GLY  55  -0.820   0.707  -6.676
  405    HA2  GLY  55           HA2      GLY  55  -0.559  -2.034  -7.517
  406    HA3  GLY  55           HA1      GLY  55   0.368  -0.893  -8.489
  407    H    ILE  56           HN       ILE  56   1.517  -2.862  -7.156
  408    HA   ILE  56           HA       ILE  56   3.195  -1.572  -5.076
  409    HB   ILE  56           HB       ILE  56   2.134  -4.435  -5.081
  410   HG12  ILE  56          HG12      ILE  56   1.591  -2.268  -3.042
  411   HG13  ILE  56          HG11      ILE  56   0.501  -2.565  -4.414
  412   HG21  ILE  56          HG21      ILE  56   4.132  -2.981  -3.396
  413   HG22  ILE  56          HG22      ILE  56   4.229  -4.590  -4.110
  414   HG23  ILE  56          HG23      ILE  56   3.189  -4.304  -2.714
  415   HD11  ILE  56          HD11      ILE  56  -0.078  -3.632  -2.177
  416   HD12  ILE  56          HD12      ILE  56   1.274  -4.727  -2.470
  417   HD13  ILE  56          HD13      ILE  56  -0.088  -4.685  -3.591
  418    H    PHE  57           HN       PHE  57   5.072  -1.381  -6.168
  419    HA   PHE  57           HA       PHE  57   5.618  -3.373  -8.233
  420    HB2  PHE  57           HB2      PHE  57   6.769  -0.579  -8.013
  421    HB3  PHE  57           HB1      PHE  57   6.857  -1.666  -9.413
  422    HD1  PHE  57           HD1      PHE  57   5.284  -1.459 -11.106
  423    HD2  PHE  57           HD2      PHE  57   4.388   0.151  -7.268
  424    HE1  PHE  57           HE1      PHE  57   3.237  -0.422 -11.997
  425    HE2  PHE  57           HE2      PHE  57   2.359   1.149  -8.139
  426    HZ   PHE  57           HZ       PHE  57   1.780   0.889 -10.496
  427    H    VAL  58           HN       VAL  58   6.955  -4.889  -7.600
  428    HA   VAL  58           HA       VAL  58   9.323  -4.247  -6.014
  429    HB   VAL  58           HB       VAL  58   8.184  -6.883  -6.966
  430   HG11  VAL  58          HG11      VAL  58  10.718  -6.443  -5.388
  431   HG12  VAL  58          HG12      VAL  58  10.644  -6.967  -7.071
  432   HG13  VAL  58          HG13      VAL  58   9.995  -8.000  -5.797
  433   HG21  VAL  58          HG21      VAL  58   7.334  -5.510  -4.910
  434   HG22  VAL  58          HG22      VAL  58   8.792  -6.146  -4.141
  435   HG23  VAL  58          HG23      VAL  58   7.569  -7.253  -4.778
  436    H    ASN  59           HN       ASN  59  10.991  -3.471  -7.097
  437    HA   ASN  59           HA       ASN  59  12.484  -2.989  -8.741
  438    HB2  ASN  59           HB2      ASN  59  12.142  -5.946  -9.315
  439    HB3  ASN  59           HB1      ASN  59  13.430  -4.923  -9.993
  440   HD21  ASN  59          HD21      ASN  59  15.274  -4.995  -8.958
  441   HD22  ASN  59          HD22      ASN  59  15.503  -5.399  -7.293
  442    H    GLY  60           HN       GLY  60  10.102  -2.088  -9.494
  443    HA2  GLY  60           HA2      GLY  60   8.923  -1.362 -11.312
  444    HA3  GLY  60           HA1      GLY  60  10.277  -1.955 -12.297
  445    H    GLU  61           HN       GLU  61   7.948  -3.587 -10.206
  446    HA   GLU  61           HA       GLU  61   6.649  -4.846 -12.466
  447    HB2  GLU  61           HB2      GLU  61   8.549  -6.347 -12.069
  448    HB3  GLU  61           HB1      GLU  61   8.107  -6.479 -10.370
  449    HG2  GLU  61           HG2      GLU  61   6.052  -7.613 -10.958
  450    HG3  GLU  61           HG1      GLU  61   6.411  -7.418 -12.680
  451    H    LYS  62           HN       LYS  62   4.592  -4.426 -12.003
  452    HA   LYS  62           HA       LYS  62   3.704  -3.953  -9.339
  453    HB2  LYS  62           HB2      LYS  62   2.758  -2.778 -11.301
  454    HB3  LYS  62           HB1      LYS  62   2.072  -4.316 -11.872
  455    HG2  LYS  62           HG2      LYS  62   0.636  -4.434  -9.928
  456    HG3  LYS  62           HG1      LYS  62   1.377  -2.959  -9.261
  457    HD2  LYS  62           HD2      LYS  62  -0.723  -2.358 -10.235
  458    HD3  LYS  62           HD1      LYS  62   0.550  -1.731 -11.276
  459    HE2  LYS  62           HE2      LYS  62  -0.982  -4.283 -11.773
  460    HE3  LYS  62           HE1      LYS  62  -1.372  -2.729 -12.497
  461    HZ1  LYS  62           HZ1      LYS  62  -0.114  -3.607 -14.138
  462    HZ2  LYS  62           HZ2      LYS  62   0.822  -4.566 -13.103
  463    HZ3  LYS  62           HZ3      LYS  62   1.145  -2.901 -13.243
  464    H    VAL  63           HN       VAL  63   3.687  -5.631  -7.995
  465    HA   VAL  63           HA       VAL  63   3.100  -8.287  -8.859
  466    HB   VAL  63           HB       VAL  63   3.502  -8.952  -6.596
  467   HG11  VAL  63          HG11      VAL  63   5.787  -7.510  -6.407
  468   HG12  VAL  63          HG12      VAL  63   5.354  -7.241  -8.095
  469   HG13  VAL  63          HG13      VAL  63   5.564  -8.886  -7.488
  470   HG21  VAL  63          HG21      VAL  63   2.538  -7.334  -5.211
  471   HG22  VAL  63          HG22      VAL  63   3.371  -6.010  -6.028
  472   HG23  VAL  63          HG23      VAL  63   4.271  -7.102  -4.975
  473    H    TYR  64           HN       TYR  64   1.214  -5.748  -7.384
  474    HA   TYR  64           HA       TYR  64  -1.120  -7.479  -7.527
  475    HB2  TYR  64           HB2      TYR  64  -0.163  -7.734  -5.211
  476    HB3  TYR  64           HB1      TYR  64  -0.484  -6.001  -4.973
  477    HD1  TYR  64           HD1      TYR  64  -2.279  -5.805  -3.477
  478    HD2  TYR  64           HD2      TYR  64  -2.488  -8.712  -6.580
  479    HE1  TYR  64           HE1      TYR  64  -4.580  -6.348  -2.821
  480    HE2  TYR  64           HE2      TYR  64  -4.794  -9.248  -5.926
  481    HH   TYR  64           HH       TYR  64  -6.210  -9.083  -3.878
  482    H    THR  65           HN       THR  65  -3.072  -6.376  -7.713
  483    HA   THR  65           HA       THR  65  -2.929  -3.459  -7.819
  484    HB   THR  65           HB       THR  65  -4.458  -5.183  -9.649
  485    HG1  THR  65           HG1      THR  65  -2.491  -5.282 -10.469
  486   HG21  THR  65          HG21      THR  65  -5.752  -3.299  -9.677
  487   HG22  THR  65          HG22      THR  65  -4.582  -2.930 -10.943
  488   HG23  THR  65          HG23      THR  65  -4.381  -2.243  -9.331
  489    H    PHE  66           HN       PHE  66  -4.259  -2.553  -6.378
  490    HA   PHE  66           HA       PHE  66  -6.850  -3.866  -5.908
  491    HB2  PHE  66           HB2      PHE  66  -6.846  -3.249  -3.574
  492    HB3  PHE  66           HB1      PHE  66  -5.486  -4.338  -3.957
  493    HD1  PHE  66           HD1      PHE  66  -3.306  -3.740  -3.360
  494    HD2  PHE  66           HD2      PHE  66  -6.374  -0.789  -3.286
  495    HE1  PHE  66           HE1      PHE  66  -1.801  -2.207  -2.156
  496    HE2  PHE  66           HE2      PHE  66  -4.875   0.750  -2.102
  497    HZ   PHE  66           HZ       PHE  66  -2.577   0.058  -1.536
  498    H    ASN  67           HN       ASN  67  -8.561  -2.472  -5.516
  499    HA   ASN  67           HA       ASN  67  -8.006   0.273  -6.427
  500    HB2  ASN  67           HB2      ASN  67 -10.521  -1.408  -6.693
  501    HB3  ASN  67           HB1      ASN  67 -10.400   0.290  -7.164
  502   HD21  ASN  67          HD21      ASN  67  -7.463  -0.964  -7.840
  503   HD22  ASN  67          HD22      ASN  67  -7.715  -1.434  -9.486
  504    H    GLU  68           HN       GLU  68  -8.975   2.014  -5.291
  505    HA   GLU  68           HA       GLU  68  -9.645   1.408  -2.567
  506    HB2  GLU  68           HB2      GLU  68  -9.892   4.052  -3.971
  507    HB3  GLU  68           HB1      GLU  68  -9.943   3.787  -2.246
  508    HG2  GLU  68           HG2      GLU  68  -7.564   3.409  -4.053
  509    HG3  GLU  68           HG1      GLU  68  -7.822   4.692  -2.857
  510    H    LYS  69           HN       LYS  69 -11.186   1.353  -5.400
  511    HA   LYS  69           HA       LYS  69 -13.920   1.897  -4.790
  512    HB2  LYS  69           HB2      LYS  69 -12.651  -0.245  -6.499
  513    HB3  LYS  69           HB1      LYS  69 -14.331   0.325  -6.616
  514    HG2  LYS  69           HG2      LYS  69 -13.539   2.510  -7.329
  515    HG3  LYS  69           HG1      LYS  69 -11.861   1.917  -7.250
  516    HD2  LYS  69           HD2      LYS  69 -12.827   1.867  -9.551
  517    HD3  LYS  69           HD1      LYS  69 -12.284   0.294  -8.965
  518    HE2  LYS  69           HE2      LYS  69 -14.452   0.171 -10.130
  519    HE3  LYS  69           HE1      LYS  69 -14.558  -0.346  -8.449
  520    HZ1  LYS  69           HZ1      LYS  69 -16.402   1.116  -9.190
  521    HZ2  LYS  69           HZ2      LYS  69 -15.280   2.376  -9.391
  522    HZ3  LYS  69           HZ3      LYS  69 -15.553   1.720  -7.850
  523    H    SER  70           HN       SER  70 -11.872  -0.929  -4.874
  524    HA   SER  70           HA       SER  70 -13.568  -2.681  -3.449
  525    HB2  SER  70           HB2      SER  70 -10.576  -2.777  -3.913
  526    HB3  SER  70           HB1      SER  70 -11.614  -4.137  -3.387
  527    HG   SER  70           HG       SER  70 -11.812  -4.505  -5.446
  528    H    THR  71           HN       THR  71 -13.991  -2.559  -1.352
  529    HA   THR  71           HA       THR  71 -13.096  -0.689   0.409
  530    HB   THR  71           HB       THR  71 -13.890  -2.156   2.176
  531    HG1  THR  71           HG1      THR  71 -13.823  -4.087   0.112
  532   HG21  THR  71          HG21      THR  71 -15.421  -1.412  -0.119
  533   HG22  THR  71          HG22      THR  71 -15.914  -1.502   1.572
  534   HG23  THR  71          HG23      THR  71 -16.027  -2.929   0.545
  535    H    VAL  72           HN       VAL  72 -11.128  -0.267   1.272
  536    HA   VAL  72           HA       VAL  72  -8.944  -1.828   0.919
  537    HB   VAL  72           HB       VAL  72  -8.424  -0.258   3.241
  538   HG11  VAL  72          HG11      VAL  72  -6.610  -0.406   1.938
  539   HG12  VAL  72          HG12      VAL  72  -7.277   1.008   1.119
  540   HG13  VAL  72          HG13      VAL  72  -7.546  -0.604   0.457
  541   HG21  VAL  72          HG21      VAL  72  -9.674   1.313   0.944
  542   HG22  VAL  72          HG22      VAL  72  -9.049   1.941   2.473
  543   HG23  VAL  72          HG23      VAL  72 -10.521   0.973   2.464
  544    H    GLY  73           HN       GLY  73 -11.449  -2.278   3.012
  545    HA2  GLY  73           HA2      GLY  73 -10.179  -3.676   5.144
  546    HA3  GLY  73           HA1      GLY  73 -11.866  -3.719   4.682
  547    H    ASN  74           HN       ASN  74 -12.293  -4.890   2.555
  548    HA   ASN  74           HA       ASN  74 -11.522  -7.574   2.930
  549    HB2  ASN  74           HB2      ASN  74 -12.793  -6.227   0.539
  550    HB3  ASN  74           HB1      ASN  74 -12.582  -7.980   0.696
  551   HD21  ASN  74          HD21      ASN  74 -14.792  -5.631   0.970
  552   HD22  ASN  74          HD22      ASN  74 -15.836  -6.331   2.174
  553    H    ILE  75           HN       ILE  75 -10.074  -4.982   1.219
  554    HA   ILE  75           HA       ILE  75  -8.413  -6.668  -0.435
  555    HB   ILE  75           HB       ILE  75  -8.303  -3.776   0.229
  556   HG12  ILE  75          HG12      ILE  75 -10.207  -4.443  -1.155
  557   HG13  ILE  75          HG11      ILE  75  -9.051  -3.528  -2.150
  558   HG21  ILE  75          HG21      ILE  75  -6.488  -3.454  -1.182
  559   HG22  ILE  75          HG22      ILE  75  -6.699  -5.025  -1.959
  560   HG23  ILE  75          HG23      ILE  75  -6.070  -4.932  -0.317
  561   HD11  ILE  75          HD11      ILE  75  -8.204  -6.091  -2.515
  562   HD12  ILE  75          HD12      ILE  75  -9.284  -5.204  -3.590
  563   HD13  ILE  75          HD13      ILE  75  -9.951  -6.295  -2.376
  564    H    SER  76           HN       SER  76  -8.047  -4.925   2.622
  565    HA   SER  76           HA       SER  76  -5.285  -5.671   2.870
  566    HB2  SER  76           HB2      SER  76  -5.963  -3.682   4.005
  567    HB3  SER  76           HB1      SER  76  -7.236  -4.541   4.882
  568    HG   SER  76           HG       SER  76  -5.574  -5.705   5.962
  569    H    ASN  77           HN       ASN  77  -8.252  -7.231   3.459
  570    HA   ASN  77           HA       ASN  77  -7.233  -9.238   5.250
  571    HB2  ASN  77           HB2      ASN  77  -9.537  -9.324   3.280
  572    HB3  ASN  77           HB1      ASN  77  -9.130 -10.632   4.396
  573   HD21  ASN  77          HD21      ASN  77 -11.298  -8.386   3.965
  574   HD22  ASN  77          HD22      ASN  77 -11.635  -7.900   5.595
  575    H    ASP  78           HN       ASP  78  -7.170  -8.492   1.864
  576    HA   ASP  78           HA       ASP  78  -5.933 -11.012   1.155
  577    HB2  ASP  78           HB2      ASP  78  -6.693  -8.591  -0.451
  578    HB3  ASP  78           HB1      ASP  78  -5.649  -9.860  -1.132
  579    H    ILE  79           HN       ILE  79  -4.880  -7.767   1.947
  580    HA   ILE  79           HA       ILE  79  -2.307  -8.045   0.784
  581    HB   ILE  79           HB       ILE  79  -2.884  -6.325   3.236
  582   HG12  ILE  79          HG12      ILE  79  -4.561  -5.919   1.394
  583   HG13  ILE  79          HG11      ILE  79  -3.528  -4.517   1.770
  584   HG21  ILE  79          HG21      ILE  79  -1.001  -5.878   0.921
  585   HG22  ILE  79          HG22      ILE  79  -0.530  -6.677   2.418
  586   HG23  ILE  79          HG23      ILE  79  -1.066  -4.995   2.446
  587   HD11  ILE  79          HD11      ILE  79  -2.244  -4.858  -0.192
  588   HD12  ILE  79          HD12      ILE  79  -3.945  -4.940  -0.651
  589   HD13  ILE  79          HD13      ILE  79  -3.001  -6.423  -0.494
  590    H    ASN  80           HN       ASN  80  -3.778  -9.362   3.547
  591    HA   ASN  80           HA       ASN  80  -1.473  -9.910   5.107
  592    HB2  ASN  80           HB2      ASN  80  -4.225 -11.149   5.034
  593    HB3  ASN  80           HB1      ASN  80  -2.997 -11.556   6.214
  594   HD21  ASN  80          HD21      ASN  80  -2.412  -8.441   5.660
  595   HD22  ASN  80          HD22      ASN  80  -3.430  -7.707   6.863
  596    H    LYS  81           HN       LYS  81  -3.237 -11.688   2.581
  597    HA   LYS  81           HA       LYS  81  -1.468 -13.945   2.828
  598    HB2  LYS  81           HB2      LYS  81  -2.615 -14.694   0.660
  599    HB3  LYS  81           HB1      LYS  81  -3.546 -14.682   2.148
  600    HG2  LYS  81           HG2      LYS  81  -3.641 -12.254   0.451
  601    HG3  LYS  81           HG1      LYS  81  -4.491 -13.708  -0.118
  602    HD2  LYS  81           HD2      LYS  81  -4.842 -12.385   2.575
  603    HD3  LYS  81           HD1      LYS  81  -5.945 -12.235   1.207
  604    HE2  LYS  81           HE2      LYS  81  -5.259 -14.800   2.639
  605    HE3  LYS  81           HE1      LYS  81  -6.742 -13.868   2.851
  606    HZ1  LYS  81           HZ1      LYS  81  -5.867 -15.082   0.280
  607    HZ2  LYS  81           HZ2      LYS  81  -7.338 -14.284   0.578
  608    HZ3  LYS  81           HZ3      LYS  81  -7.008 -15.764   1.340
  609    H    LEU  82           HN       LEU  82  -2.062 -11.492   0.273
  610    HA   LEU  82           HA       LEU  82  -0.123 -12.200  -1.511
  611    HB2  LEU  82           HB2      LEU  82  -1.262  -9.570  -0.710
  612    HB3  LEU  82           HB1      LEU  82   0.006  -9.676  -1.949
  613    HG   LEU  82           HG       LEU  82  -2.255  -9.619  -2.878
  614   HD11  LEU  82          HD11      LEU  82  -0.177 -11.324  -3.566
  615   HD12  LEU  82          HD12      LEU  82  -1.474 -10.746  -4.612
  616   HD13  LEU  82          HD13      LEU  82  -1.655 -12.270  -3.744
  617   HD21  LEU  82          HD21      LEU  82  -3.443 -10.837  -1.113
  618   HD22  LEU  82          HD22      LEU  82  -2.676 -12.320  -1.682
  619   HD23  LEU  82          HD23      LEU  82  -3.786 -11.442  -2.735
  620    H    ASN  83           HN       ASN  83   0.287 -10.684   1.578
  621    HA   ASN  83           HA       ASN  83   2.130  -9.889   2.732
  622    HB2  ASN  83           HB2      ASN  83   2.026 -12.375   2.956
  623    HB3  ASN  83           HB1      ASN  83   3.178 -12.506   1.627
  624   HD21  ASN  83          HD21      ASN  83   3.974  -9.800   3.378
  625   HD22  ASN  83          HD22      ASN  83   5.172 -10.505   4.421
  626    H    ILE  84           HN       ILE  84   2.518  -8.127   1.161
  627    HA   ILE  84           HA       ILE  84   4.367  -8.398  -0.922
  628    HB   ILE  84           HB       ILE  84   3.531  -5.904   0.524
  629   HG12  ILE  84          HG12      ILE  84   2.238  -5.483  -1.592
  630   HG13  ILE  84          HG11      ILE  84   2.664  -7.129  -2.109
  631   HG21  ILE  84          HG21      ILE  84   4.426  -4.736  -1.496
  632   HG22  ILE  84          HG22      ILE  84   5.195  -6.257  -1.949
  633   HG23  ILE  84          HG23      ILE  84   5.646  -5.454  -0.444
  634   HD11  ILE  84          HD11      ILE  84   1.386  -8.069  -0.318
  635   HD12  ILE  84          HD12      ILE  84   0.382  -6.903  -1.180
  636   HD13  ILE  84          HD13      ILE  84   1.092  -6.476   0.377
  637    H    LYS  85           HN       LYS  85   6.380  -9.104  -0.580
  638    HA   LYS  85           HA       LYS  85   7.886  -7.898   1.640
  639    HB2  LYS  85           HB2      LYS  85   8.544 -10.430   0.115
  640    HB3  LYS  85           HB1      LYS  85   9.325  -9.835   1.582
  641    HG2  LYS  85           HG2      LYS  85   7.300 -10.192   2.854
  642    HG3  LYS  85           HG1      LYS  85   6.443 -10.694   1.396
  643    HD2  LYS  85           HD2      LYS  85   7.127 -12.625   2.727
  644    HD3  LYS  85           HD1      LYS  85   7.938 -12.610   1.159
  645    HE2  LYS  85           HE2      LYS  85   9.945 -11.684   2.204
  646    HE3  LYS  85           HE1      LYS  85   9.130 -11.666   3.768
  647    HZ1  LYS  85           HZ1      LYS  85   9.954 -13.693   4.054
  648    HZ2  LYS  85           HZ2      LYS  85  10.442 -13.824   2.431
  649    HZ3  LYS  85           HZ3      LYS  85   8.855 -14.244   2.879
  650    H    GLY  86           HN       GLY  86  10.382  -8.022   1.021
  651    HA2  GLY  86           HA2      GLY  86  10.694  -6.160  -1.173
  652    HA3  GLY  86           HA1      GLY  86  11.946  -6.718  -0.065
  653    HA   PRO  87           HA       PRO  87  13.059  -5.720  -1.383
  654    HB2  PRO  87           HB2      PRO  87  14.928  -5.277  -3.172
  655    HB3  PRO  87           HB1      PRO  87  15.084  -6.571  -1.986
  656    HG2  PRO  87           HG2      PRO  87  14.410  -6.720  -4.884
  657    HG3  PRO  87           HG1      PRO  87  15.384  -7.833  -3.906
  658    HD2  PRO  87           HD2      PRO  87  12.619  -8.118  -4.561
  659    HD3  PRO  87           HD1      PRO  87  13.564  -9.096  -3.391
  660    H    TYR  88           HN       TYR  88  13.544  -3.555  -2.554
  661    HA   TYR  88           HA       TYR  88  12.566  -1.698  -3.452
  662    HB2  TYR  88           HB2      TYR  88  12.644  -3.588  -5.813
  663    HB3  TYR  88           HB1      TYR  88  12.208  -1.853  -5.955
  664    HD1  TYR  88           HD1      TYR  88  14.905  -3.522  -3.952
  665    HD2  TYR  88           HD2      TYR  88  13.925  -0.888  -7.135
  666    HE1  TYR  88           HE1      TYR  88  17.283  -2.969  -4.210
  667    HE2  TYR  88           HE2      TYR  88  16.300  -0.320  -7.407
  668    HH   TYR  88           HH       TYR  88  18.654  -1.083  -5.119
  669    H    ILE  89           HN       ILE  89  10.626  -1.517  -2.342
  670    HA   ILE  89           HA       ILE  89   8.283  -2.638  -3.740
  671    HB   ILE  89           HB       ILE  89   8.398  -1.697  -0.858
  672   HG12  ILE  89          HG12      ILE  89   8.079  -4.313  -0.518
  673   HG13  ILE  89          HG11      ILE  89   8.777  -4.375  -2.158
  674   HG21  ILE  89          HG21      ILE  89   6.207  -2.237  -0.678
  675   HG22  ILE  89          HG22      ILE  89   6.322  -3.555  -1.845
  676   HG23  ILE  89          HG23      ILE  89   6.220  -1.886  -2.406
  677   HD11  ILE  89          HD11      ILE  89  10.205  -4.421   0.152
  678   HD12  ILE  89          HD12      ILE  89  10.273  -2.712  -0.272
  679   HD13  ILE  89          HD13      ILE  89  10.835  -3.924  -1.421
  680    H    GLU  90           HN       GLU  90   6.966  -1.341  -4.673
  681    HA   GLU  90           HA       GLU  90   6.927   1.491  -3.859
  682    HB2  GLU  90           HB2      GLU  90   8.162   1.262  -5.999
  683    HB3  GLU  90           HB1      GLU  90   6.723   0.506  -6.719
  684    HG2  GLU  90           HG2      GLU  90   5.463   2.559  -6.362
  685    HG3  GLU  90           HG1      GLU  90   6.873   3.312  -5.619
  686    H    ILE  91           HN       ILE  91   5.097   1.241  -2.661
  687    HA   ILE  91           HA       ILE  91   2.694   0.187  -3.950
  688    HB   ILE  91           HB       ILE  91   2.803   1.071  -1.081
  689   HG12  ILE  91          HG12      ILE  91   3.842  -1.571  -2.106
  690   HG13  ILE  91          HG11      ILE  91   4.837  -0.285  -1.436
  691   HG21  ILE  91          HG21      ILE  91   0.843   0.001  -0.980
  692   HG22  ILE  91          HG22      ILE  91   1.633  -1.488  -1.491
  693   HG23  ILE  91          HG23      ILE  91   0.982  -0.387  -2.702
  694   HD11  ILE  91          HD11      ILE  91   3.908  -2.376  -0.021
  695   HD12  ILE  91          HD12      ILE  91   2.626  -1.198   0.271
  696   HD13  ILE  91          HD13      ILE  91   4.297  -0.806   0.684
  697    H    LYS  92           HN       LYS  92   1.612   1.776  -5.091
  698    HA   LYS  92           HA       LYS  92   0.665   4.098  -3.749
  699    HB2  LYS  92           HB2      LYS  92   1.797   5.824  -4.773
  700    HB3  LYS  92           HB1      LYS  92   3.099   4.637  -4.663
  701    HG2  LYS  92           HG2      LYS  92   1.407   5.164  -7.105
  702    HG3  LYS  92           HG1      LYS  92   3.020   5.805  -6.822
  703    HD2  LYS  92           HD2      LYS  92   3.938   3.533  -6.881
  704    HD3  LYS  92           HD1      LYS  92   2.305   2.888  -7.079
  705    HE2  LYS  92           HE2      LYS  92   2.092   3.715  -9.248
  706    HE3  LYS  92           HE1      LYS  92   3.318   4.951  -8.978
  707    HZ1  LYS  92           HZ1      LYS  92   5.005   3.137  -8.938
  708    HZ2  LYS  92           HZ2      LYS  92   4.235   3.352 -10.435
  709    HZ3  LYS  92           HZ3      LYS  92   3.788   2.072  -9.429
  710    H    GLN  93           HN       GLN  93  -0.741   5.449  -5.326
  711    HA   GLN  93           HA       GLN  93  -2.095   3.536  -7.019
  712    HB2  GLN  93           HB2      GLN  93  -3.784   5.148  -7.433
  713    HB3  GLN  93           HB1      GLN  93  -3.483   5.046  -5.694
  714    HG2  GLN  93           HG2      GLN  93  -2.191   7.088  -5.773
  715    HG3  GLN  93           HG1      GLN  93  -2.402   7.153  -7.521
  716   HE21  GLN  93          HE21      GLN  93  -3.479   8.417  -4.722
  717   HE22  GLN  93          HE22      GLN  93  -5.081   8.875  -5.188
  718    H    ILE  94           HN       ILE  94  -2.707   4.048  -9.147
  719    HA   ILE  94           HA       ILE  94  -0.498   5.309 -10.618
  720    HB   ILE  94           HB       ILE  94  -0.719   3.327 -12.122
  721   HG12  ILE  94          HG12      ILE  94  -2.357   2.363  -9.772
  722   HG13  ILE  94          HG11      ILE  94  -2.915   2.616 -11.419
  723   HG21  ILE  94          HG21      ILE  94   0.118   1.878  -9.864
  724   HG22  ILE  94          HG22      ILE  94   0.557   3.564  -9.576
  725   HG23  ILE  94          HG23      ILE  94   1.127   2.741 -11.030
  726   HD11  ILE  94          HD11      ILE  94  -2.056   0.267 -10.299
  727   HD12  ILE  94          HD12      ILE  94  -0.703   0.779 -11.308
  728   HD13  ILE  94          HD13      ILE  94  -2.306   0.577 -12.016
  Start of MODEL   14
    1    H    ASP   1           HT1      ASP   1  23.228   8.379 -10.205
    2    HA   ASP   1           HA       ASP   1  21.444   6.463 -10.900
    3    HB2  ASP   1           HB2      ASP   1  22.874   6.900  -8.265
    4    HB3  ASP   1           HB1      ASP   1  22.212   5.362  -8.809
    5    H    ASN   2           HN       ASN   2  19.450   5.805 -10.337
    6    HA   ASN   2           HA       ASN   2  18.144   7.186  -8.080
    7    HB2  ASN   2           HB2      ASN   2  16.009   7.062  -9.260
    8    HB3  ASN   2           HB1      ASN   2  17.185   7.952 -10.220
    9   HD21  ASN   2          HD21      ASN   2  14.803   5.749 -10.394
   10   HD22  ASN   2          HD22      ASN   2  15.277   4.902 -11.823
   11    H    GLN   3           HN       GLN   3  19.463   4.399  -8.940
   12    HA   GLN   3           HA       GLN   3  17.357   2.609  -8.021
   13    HB2  GLN   3           HB2      GLN   3  18.952   0.808  -8.528
   14    HB3  GLN   3           HB1      GLN   3  18.727   1.877  -9.905
   15    HG2  GLN   3           HG2      GLN   3  20.831   2.977  -9.434
   16    HG3  GLN   3           HG1      GLN   3  21.045   1.991  -7.985
   17   HE21  GLN   3          HE21      GLN   3  22.393   0.395  -8.232
   18   HE22  GLN   3          HE22      GLN   3  22.693  -0.483  -9.692
   19    H    LYS   4           HN       LYS   4  19.487   4.575  -6.526
   20    HA   LYS   4           HA       LYS   4  20.107   2.682  -4.367
   21    HB2  LYS   4           HB2      LYS   4  21.975   3.993  -5.427
   22    HB3  LYS   4           HB1      LYS   4  21.215   5.465  -4.839
   23    HG2  LYS   4           HG2      LYS   4  21.508   4.681  -2.530
   24    HG3  LYS   4           HG1      LYS   4  22.298   3.224  -3.138
   25    HD2  LYS   4           HD2      LYS   4  23.961   4.835  -2.422
   26    HD3  LYS   4           HD1      LYS   4  24.039   4.630  -4.173
   27    HE2  LYS   4           HE2      LYS   4  22.753   6.685  -4.477
   28    HE3  LYS   4           HE1      LYS   4  22.637   6.878  -2.727
   29    HZ1  LYS   4           HZ1      LYS   4  24.382   8.269  -3.613
   30    HZ2  LYS   4           HZ2      LYS   4  25.141   6.937  -4.335
   31    HZ3  LYS   4           HZ3      LYS   4  25.065   7.055  -2.640
   32    H    ALA   5           HN       ALA   5  17.564   4.169  -5.087
   33    HA   ALA   5           HA       ALA   5  17.066   6.216  -3.279
   34    HB1  ALA   5           HB1      ALA   5  14.815   4.437  -4.027
   35    HB2  ALA   5           HB2      ALA   5  15.693   5.242  -5.328
   36    HB3  ALA   5           HB3      ALA   5  14.928   6.197  -4.057
   37    H    LEU   6           HN       LEU   6  17.061   6.168  -1.150
   38    HA   LEU   6           HA       LEU   6  16.476   3.669   0.252
   39    HB2  LEU   6           HB2      LEU   6  17.445   4.704   2.230
   40    HB3  LEU   6           HB1      LEU   6  18.561   4.751   0.883
   41    HG   LEU   6           HG       LEU   6  16.910   7.118   1.801
   42   HD11  LEU   6          HD11      LEU   6  18.420   6.618   3.556
   43   HD12  LEU   6          HD12      LEU   6  19.138   7.937   2.633
   44   HD13  LEU   6          HD13      LEU   6  19.734   6.291   2.426
   45   HD21  LEU   6          HD21      LEU   6  18.603   6.634  -0.501
   46   HD22  LEU   6          HD22      LEU   6  19.187   7.982   0.474
   47   HD23  LEU   6          HD23      LEU   6  17.537   7.996  -0.152
   48    H    GLU   7           HN       GLU   7  14.457   5.392  -1.003
   49    HA   GLU   7           HA       GLU   7  13.135   6.955   0.926
   50    HB2  GLU   7           HB2      GLU   7  12.014   5.700  -1.582
   51    HB3  GLU   7           HB1      GLU   7  11.310   7.043  -0.697
   52    HG2  GLU   7           HG2      GLU   7  13.215   8.437  -1.239
   53    HG3  GLU   7           HG1      GLU   7  13.989   7.085  -2.068
   54    H    GLU   8           HN       GLU   8  13.334   3.619   0.849
   55    HA   GLU   8           HA       GLU   8  10.707   2.804   1.069
   56    HB2  GLU   8           HB2      GLU   8  11.633   0.741   2.173
   57    HB3  GLU   8           HB1      GLU   8  12.312   1.160   0.610
   58    HG2  GLU   8           HG2      GLU   8  14.271   2.111   1.723
   59    HG3  GLU   8           HG1      GLU   8  13.583   1.674   3.289
   60    H    GLN   9           HN       GLN   9  12.896   3.461   3.837
   61    HA   GLN   9           HA       GLN   9  10.542   3.333   5.567
   62    HB2  GLN   9           HB2      GLN   9  12.051   3.533   7.474
   63    HB3  GLN   9           HB1      GLN   9  12.524   2.201   6.436
   64    HG2  GLN   9           HG2      GLN   9  13.845   4.908   6.460
   65    HG3  GLN   9           HG1      GLN   9  14.419   3.498   7.346
   66   HE21  GLN   9          HE21      GLN   9  14.895   5.261   4.671
   67   HE22  GLN   9          HE22      GLN   9  15.578   4.065   3.625
   68    H    MET  10           HN       MET  10  11.329   5.486   3.530
   69    HA   MET  10           HA       MET  10  11.349   7.783   5.372
   70    HB2  MET  10           HB2      MET  10  11.946   7.693   2.409
   71    HB3  MET  10           HB1      MET  10  12.015   9.131   3.417
   72    HG2  MET  10           HG2      MET  10  13.751   6.685   3.683
   73    HG3  MET  10           HG1      MET  10  14.230   8.247   3.022
   74    HE1  MET  10           HE1      MET  10  13.563  10.329   4.232
   75    HE2  MET  10           HE2      MET  10  14.610  10.615   5.623
   76    HE3  MET  10           HE3      MET  10  12.886  10.330   5.861
   77    H    ASN  11           HN       ASN  11  10.068   7.405   2.076
   78    HA   ASN  11           HA       ASN  11   7.536   8.552   3.040
   79    HB2  ASN  11           HB2      ASN  11   7.013   8.815   0.579
   80    HB3  ASN  11           HB1      ASN  11   8.235   9.914   1.240
   81   HD21  ASN  11          HD21      ASN  11  10.019  10.113   0.060
   82   HD22  ASN  11          HD22      ASN  11  10.582   8.986  -1.127
   83    H    SER  12           HN       SER  12   8.980   6.008   1.230
   84    HA   SER  12           HA       SER  12   7.025   4.926  -0.112
   85    HB2  SER  12           HB2      SER  12   9.284   4.031  -0.077
   86    HB3  SER  12           HB1      SER  12   9.047   3.435   1.582
   87    HG   SER  12           HG       SER  12   8.768   1.737   0.094
   88    H    ILE  13           HN       ILE  13   7.747   3.739   3.131
   89    HA   ILE  13           HA       ILE  13   5.207   2.368   3.273
   90    HB   ILE  13           HB       ILE  13   7.555   2.502   5.173
   91   HG12  ILE  13          HG12      ILE  13   8.063   1.686   2.941
   92   HG13  ILE  13          HG11      ILE  13   8.253   0.411   4.174
   93   HG21  ILE  13          HG21      ILE  13   6.527   1.033   6.550
   94   HG22  ILE  13          HG22      ILE  13   5.859   0.108   5.205
   95   HG23  ILE  13          HG23      ILE  13   5.039   1.565   5.765
   96   HD11  ILE  13          HD11      ILE  13   6.180   0.706   2.031
   97   HD12  ILE  13          HD12      ILE  13   5.839  -0.238   3.482
   98   HD13  ILE  13          HD13      ILE  13   7.185  -0.686   2.435
   99    H    ASN  14           HN       ASN  14   6.350   5.378   4.072
  100    HA   ASN  14           HA       ASN  14   4.515   5.700   6.344
  101    HB2  ASN  14           HB2      ASN  14   6.591   7.589   5.234
  102    HB3  ASN  14           HB1      ASN  14   5.451   8.020   6.503
  103   HD21  ASN  14          HD21      ASN  14   6.059   4.842   6.944
  104   HD22  ASN  14          HD22      ASN  14   7.374   4.945   8.062
  105    H    SER  15           HN       SER  15   5.214   7.608   3.374
  106    HA   SER  15           HA       SER  15   2.775   8.998   3.512
  107    HB2  SER  15           HB2      SER  15   3.216   9.800   1.273
  108    HB3  SER  15           HB1      SER  15   4.706   9.838   2.216
  109    HG   SER  15           HG       SER  15   5.137   7.705   1.211
  110    H    VAL  16           HN       VAL  16   3.560   5.842   2.389
  111    HA   VAL  16           HA       VAL  16   1.563   5.331   0.508
  112    HB   VAL  16           HB       VAL  16   3.341   3.685   1.133
  113   HG11  VAL  16          HG11      VAL  16   3.475   2.595   3.097
  114   HG12  VAL  16          HG12      VAL  16   1.743   2.700   3.408
  115   HG13  VAL  16          HG13      VAL  16   2.773   4.106   3.670
  116   HG21  VAL  16          HG21      VAL  16   0.503   3.043   0.804
  117   HG22  VAL  16          HG22      VAL  16   1.462   1.743   1.507
  118   HG23  VAL  16          HG23      VAL  16   1.918   2.424  -0.054
  119    H    ASN  17           HN       ASN  17   1.427   5.546   3.999
  120    HA   ASN  17           HA       ASN  17  -1.240   4.583   4.285
  121    HB2  ASN  17           HB2      ASN  17   0.387   6.388   6.102
  122    HB3  ASN  17           HB1      ASN  17  -1.146   5.642   6.532
  123   HD21  ASN  17          HD21      ASN  17   0.303   3.408   4.677
  124   HD22  ASN  17          HD22      ASN  17   1.156   2.515   5.885
  125    H    ASP  18           HN       ASP  18   0.246   7.754   3.920
  126    HA   ASP  18           HA       ASP  18  -1.976   9.328   4.401
  127    HB2  ASP  18           HB2      ASP  18   0.415   9.750   2.613
  128    HB3  ASP  18           HB1      ASP  18  -0.753  11.000   2.959
  129    H    LYS  19           HN       LYS  19  -1.489   7.294   1.671
  130    HA   LYS  19           HA       LYS  19  -3.503   8.776   0.094
  131    HB2  LYS  19           HB2      LYS  19  -1.992   6.256  -0.604
  132    HB3  LYS  19           HB1      LYS  19  -3.268   6.951  -1.582
  133    HG2  LYS  19           HG2      LYS  19  -1.197   7.568  -2.558
  134    HG3  LYS  19           HG1      LYS  19  -1.918   9.020  -1.843
  135    HD2  LYS  19           HD2      LYS  19   0.404   9.057  -1.354
  136    HD3  LYS  19           HD1      LYS  19  -0.429   8.627   0.143
  137    HE2  LYS  19           HE2      LYS  19   1.520   7.231  -0.142
  138    HE3  LYS  19           HE1      LYS  19   0.058   6.258  -0.288
  139    HZ1  LYS  19           HZ1      LYS  19   2.150   6.405  -2.072
  140    HZ2  LYS  19           HZ2      LYS  19   0.877   7.248  -2.829
  141    HZ3  LYS  19           HZ3      LYS  19   0.654   5.647  -2.319
  142    H    LEU  20           HN       LEU  20  -2.828   5.629   1.390
  143    HA   LEU  20           HA       LEU  20  -5.243   4.435   0.922
  144    HB2  LEU  20           HB2      LEU  20  -3.386   4.072   3.254
  145    HB3  LEU  20           HB1      LEU  20  -4.553   2.883   2.683
  146    HG   LEU  20           HG       LEU  20  -2.139   3.870   1.161
  147   HD11  LEU  20          HD11      LEU  20  -2.340   1.038   1.731
  148   HD12  LEU  20          HD12      LEU  20  -2.243   2.029   3.188
  149   HD13  LEU  20          HD13      LEU  20  -0.991   2.152   1.952
  150   HD21  LEU  20          HD21      LEU  20  -2.879   2.837  -0.685
  151   HD22  LEU  20          HD22      LEU  20  -4.469   2.983   0.065
  152   HD23  LEU  20          HD23      LEU  20  -3.554   1.485   0.224
  153    H    ASN  21           HN       ASN  21  -4.194   6.503   3.510
  154    HA   ASN  21           HA       ASN  21  -6.494   6.174   5.161
  155    HB2  ASN  21           HB2      ASN  21  -4.166   8.093   5.158
  156    HB3  ASN  21           HB1      ASN  21  -5.469   8.243   6.327
  157   HD21  ASN  21          HD21      ASN  21  -4.940   5.003   5.537
  158   HD22  ASN  21          HD22      ASN  21  -3.926   4.589   6.886
  159    H    LYS  22           HN       LYS  22  -8.396   6.807   4.044
  160    HA   LYS  22           HA       LYS  22  -8.301   9.537   2.940
  161    HB2  LYS  22           HB2      LYS  22  -9.542   7.046   1.844
  162    HB3  LYS  22           HB1      LYS  22 -10.100   8.647   1.326
  163    HG2  LYS  22           HG2      LYS  22  -7.976   9.218   0.475
  164    HG3  LYS  22           HG1      LYS  22  -7.204   7.846   1.267
  165    HD2  LYS  22           HD2      LYS  22  -8.279   6.313  -0.209
  166    HD3  LYS  22           HD1      LYS  22  -9.256   7.602  -0.930
  167    HE2  LYS  22           HE2      LYS  22  -7.245   8.640  -1.811
  168    HE3  LYS  22           HE1      LYS  22  -6.243   7.429  -1.007
  169    HZ1  LYS  22           HZ1      LYS  22  -6.542   6.023  -2.674
  170    HZ2  LYS  22           HZ2      LYS  22  -7.237   7.298  -3.554
  171    HZ3  LYS  22           HZ3      LYS  22  -8.219   6.232  -2.670
  172    H    GLY  23           HN       GLY  23 -10.544   7.297   4.583
  173    HA2  GLY  23           HA2      GLY  23 -11.717   9.096   6.198
  174    HA3  GLY  23           HA1      GLY  23 -12.548   9.334   4.653
  175    H    LYS  24           HN       LYS  24 -13.885   7.693   3.835
  176    HA   LYS  24           HA       LYS  24 -15.511   6.305   5.599
  177    HB2  LYS  24           HB2      LYS  24 -15.879   6.726   3.115
  178    HB3  LYS  24           HB1      LYS  24 -14.797   5.353   2.811
  179    HG2  LYS  24           HG2      LYS  24 -17.052   4.612   2.602
  180    HG3  LYS  24           HG1      LYS  24 -16.377   3.912   4.079
  181    HD2  LYS  24           HD2      LYS  24 -17.530   5.502   5.439
  182    HD3  LYS  24           HD1      LYS  24 -18.034   6.432   4.025
  183    HE2  LYS  24           HE2      LYS  24 -19.394   4.546   3.266
  184    HE3  LYS  24           HE1      LYS  24 -18.897   3.615   4.687
  185    HZ1  LYS  24           HZ1      LYS  24 -20.842   5.753   4.456
  186    HZ2  LYS  24           HZ2      LYS  24 -19.828   5.865   5.815
  187    HZ3  LYS  24           HZ3      LYS  24 -20.766   4.469   5.571
  188    H    GLY  25           HN       GLY  25 -12.875   5.075   3.630
  189    HA2  GLY  25           HA2      GLY  25 -12.167   3.226   5.745
  190    HA3  GLY  25           HA1      GLY  25 -12.390   2.573   4.136
  191    H    LYS  26           HN       LYS  26 -10.080   2.511   5.643
  192    HA   LYS  26           HA       LYS  26  -8.220   4.044   4.021
  193    HB2  LYS  26           HB2      LYS  26  -7.181   4.542   6.356
  194    HB3  LYS  26           HB1      LYS  26  -8.503   5.541   5.735
  195    HG2  LYS  26           HG2      LYS  26 -10.037   3.912   6.889
  196    HG3  LYS  26           HG1      LYS  26  -8.600   3.311   7.731
  197    HD2  LYS  26           HD2      LYS  26  -9.769   5.003   9.082
  198    HD3  LYS  26           HD1      LYS  26  -8.171   5.579   8.590
  199    HE2  LYS  26           HE2      LYS  26  -9.105   6.928   6.861
  200    HE3  LYS  26           HE1      LYS  26 -10.705   6.223   7.092
  201    HZ1  LYS  26           HZ1      LYS  26 -11.087   7.504   8.933
  202    HZ2  LYS  26           HZ2      LYS  26 -10.016   8.548   8.124
  203    HZ3  LYS  26           HZ3      LYS  26  -9.448   7.563   9.386
  204    H    LEU  27           HN       LEU  27  -5.979   3.322   4.368
  205    HA   LEU  27           HA       LEU  27  -5.852   0.585   5.400
  206    HB2  LEU  27           HB2      LEU  27  -6.226   0.365   3.123
  207    HB3  LEU  27           HB1      LEU  27  -5.019   1.598   2.710
  208    HG   LEU  27           HG       LEU  27  -3.250   0.096   3.503
  209   HD11  LEU  27          HD11      LEU  27  -5.377  -1.301   4.703
  210   HD12  LEU  27          HD12      LEU  27  -3.668  -1.737   4.704
  211   HD13  LEU  27          HD13      LEU  27  -4.738  -2.367   3.452
  212   HD21  LEU  27          HD21      LEU  27  -4.860  -1.487   1.546
  213   HD22  LEU  27          HD22      LEU  27  -3.139  -1.106   1.539
  214   HD23  LEU  27          HD23      LEU  27  -4.318   0.137   1.120
  215    H    SER  28           HN       SER  28  -3.852  -0.106   6.161
  216    HA   SER  28           HA       SER  28  -1.660   1.831   6.203
  217    HB2  SER  28           HB2      SER  28  -3.041   2.031   8.330
  218    HB3  SER  28           HB1      SER  28  -2.638   0.334   8.648
  219    HG   SER  28           HG       SER  28  -1.156   2.549   9.119
  220    H    LEU  29           HN       LEU  29   0.418   0.827   6.619
  221    HA   LEU  29           HA       LEU  29   0.391  -2.077   6.716
  222    HB2  LEU  29           HB2      LEU  29   2.299  -0.850   4.784
  223    HB3  LEU  29           HB1      LEU  29   1.581  -2.474   4.813
  224    HG   LEU  29           HG       LEU  29  -0.635  -1.069   4.313
  225   HD11  LEU  29          HD11      LEU  29  -0.350   0.863   3.096
  226   HD12  LEU  29          HD12      LEU  29   1.361   0.554   2.803
  227   HD13  LEU  29          HD13      LEU  29   0.814   1.030   4.410
  228   HD21  LEU  29          HD21      LEU  29  -0.403  -1.672   2.011
  229   HD22  LEU  29          HD22      LEU  29   0.413  -2.914   2.961
  230   HD23  LEU  29          HD23      LEU  29   1.356  -1.679   2.126
  231    H    SER  30           HN       SER  30   1.930  -2.901   7.905
  232    HA   SER  30           HA       SER  30   4.313  -1.337   8.536
  233    HB2  SER  30           HB2      SER  30   4.157  -2.126  10.914
  234    HB3  SER  30           HB1      SER  30   2.871  -1.009  10.463
  235    HG   SER  30           HG       SER  30   1.428  -2.641  10.449
  236    H    MET  31           HN       MET  31   5.643  -3.172  10.081
  237    HA   MET  31           HA       MET  31   5.508  -5.735   8.677
  238    HB2  MET  31           HB2      MET  31   7.889  -5.607   8.026
  239    HB3  MET  31           HB1      MET  31   6.890  -4.382   7.209
  240    HG2  MET  31           HG2      MET  31   7.669  -2.719   8.867
  241    HG3  MET  31           HG1      MET  31   8.731  -3.945   9.559
  242    HE1  MET  31           HE1      MET  31   9.101  -2.546   5.186
  243    HE2  MET  31           HE2      MET  31   8.106  -1.631   6.319
  244    HE3  MET  31           HE3      MET  31   7.684  -3.298   5.922
  245    H    ASN  32           HN       ASN  32   7.131  -7.246   9.462
  246    HA   ASN  32           HA       ASN  32   8.133  -6.744  12.148
  247    HB2  ASN  32           HB2      ASN  32   5.835  -7.701  12.443
  248    HB3  ASN  32           HB1      ASN  32   6.340  -9.115  11.501
  249   HD21  ASN  32          HD21      ASN  32   5.941  -7.925  14.547
  250   HD22  ASN  32          HD22      ASN  32   6.979  -9.018  15.417
  251    H    GLY  33           HN       GLY  33  10.159  -6.830  11.142
  252    HA2  GLY  33           HA2      GLY  33  12.098  -7.907  10.413
  253    HA3  GLY  33           HA1      GLY  33  11.267  -9.461  10.667
  254    H    ASN  34           HN       ASN  34  10.638 -10.560   8.922
  255    HA   ASN  34           HA       ASN  34  10.721  -9.201   6.313
  256    HB2  ASN  34           HB2      ASN  34  10.797 -12.145   7.003
  257    HB3  ASN  34           HB1      ASN  34  10.722 -11.517   5.362
  258   HD21  ASN  34          HD21      ASN  34  12.496  -9.296   6.896
  259   HD22  ASN  34          HD22      ASN  34  14.093  -9.948   6.655
  260    H    GLN  35           HN       GLN  35   8.512  -9.570   8.545
  261    HA   GLN  35           HA       GLN  35   6.397 -10.755   6.931
  262    HB2  GLN  35           HB2      GLN  35   6.596 -11.175   9.411
  263    HB3  GLN  35           HB1      GLN  35   6.177  -9.477   9.653
  264    HG2  GLN  35           HG2      GLN  35   4.259 -10.949   9.971
  265    HG3  GLN  35           HG1      GLN  35   4.016  -9.822   8.639
  266   HE21  GLN  35          HE21      GLN  35   3.481 -12.868   9.581
  267   HE22  GLN  35          HE22      GLN  35   3.443 -13.673   8.037
  268    H    LEU  36           HN       LEU  36   4.397  -9.630   6.580
  269    HA   LEU  36           HA       LEU  36   4.648  -6.708   6.512
  270    HB2  LEU  36           HB2      LEU  36   5.010  -7.529   4.322
  271    HB3  LEU  36           HB1      LEU  36   3.591  -8.577   4.391
  272    HG   LEU  36           HG       LEU  36   3.373  -6.579   2.900
  273   HD11  LEU  36          HD11      LEU  36   1.159  -5.803   3.965
  274   HD12  LEU  36          HD12      LEU  36   1.493  -7.024   5.189
  275   HD13  LEU  36          HD13      LEU  36   1.328  -7.495   3.498
  276   HD21  LEU  36          HD21      LEU  36   2.855  -4.405   4.041
  277   HD22  LEU  36          HD22      LEU  36   4.554  -4.887   4.062
  278   HD23  LEU  36          HD23      LEU  36   3.560  -5.084   5.507
  279    H    LYS  37           HN       LYS  37   2.940  -5.597   7.206
  280    HA   LYS  37           HA       LYS  37   0.641  -7.155   8.195
  281    HB2  LYS  37           HB2      LYS  37   2.120  -4.885   9.555
  282    HB3  LYS  37           HB1      LYS  37   0.761  -5.811  10.234
  283    HG2  LYS  37           HG2      LYS  37   3.415  -7.018   9.448
  284    HG3  LYS  37           HG1      LYS  37   3.016  -6.464  11.095
  285    HD2  LYS  37           HD2      LYS  37   1.011  -8.021  10.975
  286    HD3  LYS  37           HD1      LYS  37   1.732  -8.666   9.502
  287    HE2  LYS  37           HE2      LYS  37   2.323 -10.065  11.363
  288    HE3  LYS  37           HE1      LYS  37   3.744  -9.237  10.730
  289    HZ1  LYS  37           HZ1      LYS  37   3.742  -9.208  13.138
  290    HZ2  LYS  37           HZ2      LYS  37   2.209  -8.481  13.165
  291    HZ3  LYS  37           HZ3      LYS  37   3.546  -7.619  12.557
  292    H    ALA  38           HN       ALA  38  -1.229  -6.363   7.236
  293    HA   ALA  38           HA       ALA  38  -1.309  -3.447   6.758
  294    HB1  ALA  38           HB1      ALA  38  -1.509  -5.319   4.841
  295    HB2  ALA  38           HB2      ALA  38  -2.277  -3.733   4.752
  296    HB3  ALA  38           HB3      ALA  38  -3.209  -5.137   5.277
  297    H    THR  39           HN       THR  39  -3.216  -2.352   7.068
  298    HA   THR  39           HA       THR  39  -5.363  -3.646   8.548
  299    HB   THR  39           HB       THR  39  -5.234  -1.706  10.224
  300    HG1  THR  39           HG1      THR  39  -2.553  -1.626   9.325
  301   HG21  THR  39          HG21      THR  39  -2.842  -3.015  10.990
  302   HG22  THR  39          HG22      THR  39  -3.918  -4.205  10.258
  303   HG23  THR  39          HG23      THR  39  -4.475  -3.232  11.619
  304    H    SER  40           HN       SER  40  -7.304  -2.774   8.143
  305    HA   SER  40           HA       SER  40  -7.445  -0.177   6.700
  306    HB2  SER  40           HB2      SER  40  -9.731  -0.929   6.049
  307    HB3  SER  40           HB1      SER  40  -8.423  -1.873   5.335
  308    HG   SER  40           HG       SER  40  -9.314  -2.842   7.756
  309    H    SER  41           HN       SER  41  -8.504   1.406   7.761
  310    HA   SER  41           HA       SER  41  -9.608   0.633  10.368
  311    HB2  SER  41           HB2      SER  41  -7.961   2.467  10.389
  312    HB3  SER  41           HB1      SER  41  -9.003   3.413   9.327
  313    HG   SER  41           HG       SER  41  -9.157   2.984  12.033
  314    H    ASN  42           HN       ASN  42 -11.651   1.180  11.008
  315    HA   ASN  42           HA       ASN  42 -13.912   1.507  10.806
  316    HB2  ASN  42           HB2      ASN  42 -13.331   2.311   7.937
  317    HB3  ASN  42           HB1      ASN  42 -14.974   2.245   8.672
  318   HD21  ASN  42          HD21      ASN  42 -12.488   4.242   7.904
  319   HD22  ASN  42          HD22      ASN  42 -12.779   5.526   9.053
  320    H    ALA  43           HN       ALA  43 -11.865  -0.575   9.429
  321    HA   ALA  43           HA       ALA  43 -11.954  -2.773   8.873
  322    HB1  ALA  43           HB1      ALA  43 -14.082  -2.272  10.845
  323    HB2  ALA  43           HB2      ALA  43 -12.655  -3.308  10.935
  324    HB3  ALA  43           HB3      ALA  43 -14.084  -3.848  10.053
  325    H    GLY  44           HN       GLY  44 -12.606  -1.901   6.503
  326    HA2  GLY  44           HA2      GLY  44 -13.508  -3.591   4.947
  327    HA3  GLY  44           HA1      GLY  44 -15.002  -3.436   5.903
  328    H    TYR  45           HN       TYR  45 -13.982  -0.426   5.681
  329    HA   TYR  45           HA       TYR  45 -15.903   0.126   3.589
  330    HB2  TYR  45           HB2      TYR  45 -14.399   1.974   5.464
  331    HB3  TYR  45           HB1      TYR  45 -15.610   2.504   4.281
  332    HD1  TYR  45           HD1      TYR  45 -16.087  -0.638   6.125
  333    HD2  TYR  45           HD2      TYR  45 -16.978   3.528   6.075
  334    HE1  TYR  45           HE1      TYR  45 -17.823  -0.993   7.813
  335    HE2  TYR  45           HE2      TYR  45 -18.728   3.170   7.758
  336    HH   TYR  45           HH       TYR  45 -19.450  -0.092   8.994
  337    H    GLY  46           HN       GLY  46 -15.504   1.496   1.792
  338    HA2  GLY  46           HA2      GLY  46 -12.723   1.429   0.796
  339    HA3  GLY  46           HA1      GLY  46 -14.171   1.701  -0.180
  340    H    ILE  47           HN       ILE  47 -13.033   3.597  -1.009
  341    HA   ILE  47           HA       ILE  47 -12.193   5.816   0.485
  342    HB   ILE  47           HB       ILE  47 -13.822   6.235  -1.941
  343   HG12  ILE  47          HG12      ILE  47 -11.680   5.803  -3.295
  344   HG13  ILE  47          HG11      ILE  47 -11.327   4.693  -1.960
  345   HG21  ILE  47          HG21      ILE  47 -11.117   7.361  -1.438
  346   HG22  ILE  47          HG22      ILE  47 -12.536   7.994  -0.602
  347   HG23  ILE  47          HG23      ILE  47 -12.455   8.046  -2.364
  348   HD11  ILE  47          HD11      ILE  47 -13.046   4.309  -4.186
  349   HD12  ILE  47          HD12      ILE  47 -14.015   4.287  -2.715
  350   HD13  ILE  47          HD13      ILE  47 -12.649   3.184  -2.886
  351    H    SER  48           HN       SER  48 -15.153   4.928  -0.985
  352    HA   SER  48           HA       SER  48 -17.089   5.633   0.801
  353    HB2  SER  48           HB2      SER  48 -16.232   7.983   0.587
  354    HB3  SER  48           HB1      SER  48 -16.552   7.907  -1.162
  355    HG   SER  48           HG       SER  48 -18.240   8.921   0.127
  356    H    TYR  49           HN       TYR  49 -18.039   7.131  -1.979
  357    HA   TYR  49           HA       TYR  49 -18.396   4.613  -3.446
  358    HB2  TYR  49           HB2      TYR  49 -20.235   6.952  -3.212
  359    HB3  TYR  49           HB1      TYR  49 -20.156   6.066  -4.746
  360    HD1  TYR  49           HD1      TYR  49 -22.521   5.211  -4.563
  361    HD2  TYR  49           HD2      TYR  49 -19.660   4.447  -1.480
  362    HE1  TYR  49           HE1      TYR  49 -23.990   3.506  -3.613
  363    HE2  TYR  49           HE2      TYR  49 -21.150   2.749  -0.530
  364    HH   TYR  49           HH       TYR  49 -24.410   2.304  -1.661
  365    H    GLU  50           HN       GLU  50 -16.224   4.984  -4.103
  366    HA   GLU  50           HA       GLU  50 -16.041   6.779  -6.403
  367    HB2  GLU  50           HB2      GLU  50 -14.092   6.674  -4.093
  368    HB3  GLU  50           HB1      GLU  50 -13.722   7.432  -5.630
  369    HG2  GLU  50           HG2      GLU  50 -15.567   8.999  -5.296
  370    HG3  GLU  50           HG1      GLU  50 -15.925   8.235  -3.739
  371    H    ASP  51           HN       ASP  51 -13.857   6.331  -7.599
  372    HA   ASP  51           HA       ASP  51 -13.083   3.539  -7.234
  373    HB2  ASP  51           HB2      ASP  51 -13.597   4.758  -9.955
  374    HB3  ASP  51           HB1      ASP  51 -12.973   3.133  -9.653
  375    H    LYS  52           HN       LYS  52 -10.949   3.088  -7.403
  376    HA   LYS  52           HA       LYS  52  -9.115   5.063  -8.480
  377    HB2  LYS  52           HB2      LYS  52  -9.105   4.107  -5.649
  378    HB3  LYS  52           HB1      LYS  52  -7.669   4.765  -6.416
  379    HG2  LYS  52           HG2      LYS  52  -8.548   6.554  -5.244
  380    HG3  LYS  52           HG1      LYS  52  -9.113   6.804  -6.885
  381    HD2  LYS  52           HD2      LYS  52 -11.262   5.634  -6.183
  382    HD3  LYS  52           HD1      LYS  52 -10.668   5.810  -4.522
  383    HE2  LYS  52           HE2      LYS  52 -11.214   8.034  -6.490
  384    HE3  LYS  52           HE1      LYS  52 -12.132   7.665  -5.031
  385    HZ1  LYS  52           HZ1      LYS  52 -10.544   8.588  -3.689
  386    HZ2  LYS  52           HZ2      LYS  52 -10.324   9.544  -5.070
  387    HZ3  LYS  52           HZ3      LYS  52  -9.269   8.256  -4.758
  388    H    ASN  53           HN       ASN  53  -6.973   4.231  -8.781
  389    HA   ASN  53           HA       ASN  53  -6.832   1.292  -8.719
  390    HB2  ASN  53           HB2      ASN  53  -5.768   3.149 -10.853
  391    HB3  ASN  53           HB1      ASN  53  -5.279   1.452 -10.698
  392   HD21  ASN  53          HD21      ASN  53  -8.515   1.792  -9.774
  393   HD22  ASN  53          HD22      ASN  53  -9.211   1.290 -11.292
  394    H    TRP  54           HN       TRP  54  -5.092   0.431  -7.781
  395    HA   TRP  54           HA       TRP  54  -2.934   2.271  -7.016
  396    HB2  TRP  54           HB2      TRP  54  -4.702   0.733  -5.317
  397    HB3  TRP  54           HB1      TRP  54  -3.008   0.245  -5.086
  398    HD1  TRP  54           HD1      TRP  54  -5.119   3.533  -4.968
  399    HE1  TRP  54           HE1      TRP  54  -3.871   5.128  -3.360
  400    HE3  TRP  54           HE3      TRP  54  -1.065   0.650  -4.002
  401    HZ2  TRP  54           HZ2      TRP  54  -1.401   5.101  -1.922
  402    HZ3  TRP  54           HZ3      TRP  54   0.666   1.514  -2.525
  403    HH2  TRP  54           HH2      TRP  54   0.498   3.679  -1.492
  404    H    GLY  55           HN       GLY  55  -0.877   1.235  -6.469
  405    HA2  GLY  55           HA2      GLY  55  -0.567  -1.492  -7.402
  406    HA3  GLY  55           HA1      GLY  55   0.309  -0.285  -8.332
  407    H    ILE  56           HN       ILE  56   1.448  -2.358  -7.094
  408    HA   ILE  56           HA       ILE  56   3.310  -1.126  -5.139
  409    HB   ILE  56           HB       ILE  56   2.323  -4.008  -5.153
  410   HG12  ILE  56          HG12      ILE  56   1.838  -1.839  -3.095
  411   HG13  ILE  56          HG11      ILE  56   0.634  -2.414  -4.273
  412   HG21  ILE  56          HG21      ILE  56   4.466  -2.587  -3.660
  413   HG22  ILE  56          HG22      ILE  56   4.452  -4.210  -4.347
  414   HG23  ILE  56          HG23      ILE  56   3.576  -3.877  -2.854
  415   HD11  ILE  56          HD11      ILE  56   0.930  -4.697  -3.257
  416   HD12  ILE  56          HD12      ILE  56   0.171  -3.487  -2.221
  417   HD13  ILE  56          HD13      ILE  56   1.863  -3.919  -1.978
  418    H    PHE  57           HN       PHE  57   5.135  -0.944  -6.315
  419    HA   PHE  57           HA       PHE  57   5.439  -2.798  -8.552
  420    HB2  PHE  57           HB2      PHE  57   6.740  -0.083  -8.176
  421    HB3  PHE  57           HB1      PHE  57   6.774  -1.081  -9.647
  422    HD1  PHE  57           HD1      PHE  57   5.153  -0.771 -11.276
  423    HD2  PHE  57           HD2      PHE  57   4.405   0.675  -7.344
  424    HE1  PHE  57           HE1      PHE  57   3.089   0.318 -12.054
  425    HE2  PHE  57           HE2      PHE  57   2.356   1.731  -8.103
  426    HZ   PHE  57           HZ       PHE  57   1.690   1.568 -10.449
  427    H    VAL  58           HN       VAL  58   6.659  -4.456  -8.097
  428    HA   VAL  58           HA       VAL  58   9.132  -4.082  -6.575
  429    HB   VAL  58           HB       VAL  58   7.729  -6.637  -7.406
  430   HG11  VAL  58          HG11      VAL  58   9.379  -7.874  -6.381
  431   HG12  VAL  58          HG12      VAL  58   9.948  -6.511  -5.412
  432   HG13  VAL  58          HG13      VAL  58  10.318  -6.587  -7.137
  433   HG21  VAL  58          HG21      VAL  58   8.111  -5.970  -4.566
  434   HG22  VAL  58          HG22      VAL  58   6.729  -6.699  -5.388
  435   HG23  VAL  58          HG23      VAL  58   6.965  -4.952  -5.439
  436    H    ASN  59           HN       ASN  59  10.783  -3.523  -7.787
  437    HA   ASN  59           HA       ASN  59  12.322  -3.404  -9.447
  438    HB2  ASN  59           HB2      ASN  59  11.507  -6.299  -9.785
  439    HB3  ASN  59           HB1      ASN  59  12.917  -5.555 -10.577
  440   HD21  ASN  59          HD21      ASN  59  14.735  -5.984  -9.588
  441   HD22  ASN  59          HD22      ASN  59  14.955  -6.215  -7.892
  442    H    GLY  60           HN       GLY  60   9.799  -2.400 -10.214
  443    HA2  GLY  60           HA2      GLY  60   9.340  -1.419 -12.354
  444    HA3  GLY  60           HA1      GLY  60  10.058  -2.863 -13.098
  445    H    GLU  61           HN       GLU  61   8.624  -4.674 -11.440
  446    HA   GLU  61           HA       GLU  61   6.227  -4.806 -13.057
  447    HB2  GLU  61           HB2      GLU  61   7.565  -6.812 -12.861
  448    HB3  GLU  61           HB1      GLU  61   7.488  -6.742 -11.103
  449    HG2  GLU  61           HG2      GLU  61   5.099  -7.192 -11.173
  450    HG3  GLU  61           HG1      GLU  61   5.146  -7.226 -12.938
  451    H    LYS  62           HN       LYS  62   4.252  -4.269 -12.407
  452    HA   LYS  62           HA       LYS  62   3.721  -3.408  -9.708
  453    HB2  LYS  62           HB2      LYS  62   2.575  -2.484 -11.783
  454    HB3  LYS  62           HB1      LYS  62   1.712  -4.034 -11.901
  455    HG2  LYS  62           HG2      LYS  62   0.804  -3.620  -9.618
  456    HG3  LYS  62           HG1      LYS  62   1.553  -2.005  -9.668
  457    HD2  LYS  62           HD2      LYS  62  -0.587  -3.061 -11.531
  458    HD3  LYS  62           HD1      LYS  62  -0.821  -1.907 -10.226
  459    HE2  LYS  62           HE2      LYS  62  -0.777  -0.648 -12.220
  460    HE3  LYS  62           HE1      LYS  62   0.781  -0.380 -11.444
  461    HZ1  LYS  62           HZ1      LYS  62   0.285  -1.275 -14.030
  462    HZ2  LYS  62           HZ2      LYS  62   0.968  -2.587 -13.202
  463    HZ3  LYS  62           HZ3      LYS  62   1.791  -1.098 -13.268
  464    H    VAL  63           HN       VAL  63   3.985  -5.075  -8.320
  465    HA   VAL  63           HA       VAL  63   3.403  -7.727  -9.018
  466    HB   VAL  63           HB       VAL  63   5.213  -7.036  -7.563
  467   HG11  VAL  63          HG11      VAL  63   3.018  -6.494  -5.590
  468   HG12  VAL  63          HG12      VAL  63   4.269  -5.388  -6.161
  469   HG13  VAL  63          HG13      VAL  63   4.698  -6.742  -5.114
  470   HG21  VAL  63          HG21      VAL  63   5.306  -8.993  -6.381
  471   HG22  VAL  63          HG22      VAL  63   4.117  -9.363  -7.630
  472   HG23  VAL  63          HG23      VAL  63   3.583  -8.968  -5.993
  473    H    TYR  64           HN       TYR  64   1.574  -5.309  -7.319
  474    HA   TYR  64           HA       TYR  64  -0.696  -7.116  -7.275
  475    HB2  TYR  64           HB2      TYR  64   0.261  -7.402  -5.039
  476    HB3  TYR  64           HB1      TYR  64   0.208  -5.640  -4.799
  477    HD1  TYR  64           HD1      TYR  64  -2.388  -7.882  -6.282
  478    HD2  TYR  64           HD2      TYR  64  -1.310  -5.366  -3.021
  479    HE1  TYR  64           HE1      TYR  64  -4.669  -8.061  -5.389
  480    HE2  TYR  64           HE2      TYR  64  -3.582  -5.545  -2.126
  481    HH   TYR  64           HH       TYR  64  -5.608  -7.689  -2.637
  482    H    THR  65           HN       THR  65  -2.465  -6.117  -7.979
  483    HA   THR  65           HA       THR  65  -2.521  -3.192  -7.960
  484    HB   THR  65           HB       THR  65  -4.026  -5.006  -9.725
  485    HG1  THR  65           HG1      THR  65  -1.748  -4.993 -10.144
  486   HG21  THR  65          HG21      THR  65  -4.290  -2.926 -11.132
  487   HG22  THR  65          HG22      THR  65  -3.773  -2.031  -9.702
  488   HG23  THR  65          HG23      THR  65  -5.246  -3.000  -9.649
  489    H    PHE  66           HN       PHE  66  -3.630  -2.589  -6.164
  490    HA   PHE  66           HA       PHE  66  -6.246  -3.898  -5.807
  491    HB2  PHE  66           HB2      PHE  66  -6.260  -3.293  -3.482
  492    HB3  PHE  66           HB1      PHE  66  -4.818  -4.267  -3.869
  493    HD1  PHE  66           HD1      PHE  66  -2.729  -3.535  -3.158
  494    HD2  PHE  66           HD2      PHE  66  -5.948  -0.755  -3.302
  495    HE1  PHE  66           HE1      PHE  66  -1.364  -1.894  -1.935
  496    HE2  PHE  66           HE2      PHE  66  -4.587   0.893  -2.095
  497    HZ   PHE  66           HZ       PHE  66  -2.284   0.338  -1.407
  498    H    ASN  67           HN       ASN  67  -7.960  -2.488  -5.125
  499    HA   ASN  67           HA       ASN  67  -7.616   0.194  -6.298
  500    HB2  ASN  67           HB2      ASN  67  -9.940  -1.733  -6.603
  501    HB3  ASN  67           HB1      ASN  67  -9.876  -0.101  -7.277
  502   HD21  ASN  67          HD21      ASN  67  -9.462  -0.091  -9.347
  503   HD22  ASN  67          HD22      ASN  67  -8.473  -1.217 -10.210
  504    H    GLU  68           HN       GLU  68  -8.793   1.877  -5.277
  505    HA   GLU  68           HA       GLU  68  -9.634   1.438  -2.591
  506    HB2  GLU  68           HB2      GLU  68 -10.325   3.738  -4.391
  507    HB3  GLU  68           HB1      GLU  68 -10.524   3.736  -2.653
  508    HG2  GLU  68           HG2      GLU  68  -7.932   3.669  -4.219
  509    HG3  GLU  68           HG1      GLU  68  -8.596   5.004  -3.262
  510    H    LYS  69           HN       LYS  69 -11.034   1.071  -5.648
  511    HA   LYS  69           HA       LYS  69 -13.816   1.140  -5.281
  512    HB2  LYS  69           HB2      LYS  69 -12.223  -1.012  -6.698
  513    HB3  LYS  69           HB1      LYS  69 -13.895  -0.522  -7.039
  514    HG2  LYS  69           HG2      LYS  69 -13.130   1.615  -7.892
  515    HG3  LYS  69           HG1      LYS  69 -11.449   1.198  -7.485
  516    HD2  LYS  69           HD2      LYS  69 -11.909   0.847  -9.866
  517    HD3  LYS  69           HD1      LYS  69 -11.548  -0.678  -9.055
  518    HE2  LYS  69           HE2      LYS  69 -13.968  -1.131  -8.890
  519    HE3  LYS  69           HE1      LYS  69 -14.291   0.367  -9.764
  520    HZ1  LYS  69           HZ1      LYS  69 -12.640  -1.837 -10.884
  521    HZ2  LYS  69           HZ2      LYS  69 -13.288  -0.499 -11.707
  522    HZ3  LYS  69           HZ3      LYS  69 -14.319  -1.714 -11.127
  523    H    SER  70           HN       SER  70 -11.476  -1.398  -4.971
  524    HA   SER  70           HA       SER  70 -13.018  -3.272  -3.512
  525    HB2  SER  70           HB2      SER  70 -10.015  -2.936  -3.704
  526    HB3  SER  70           HB1      SER  70 -10.910  -4.418  -3.235
  527    HG   SER  70           HG       SER  70 -11.020  -4.876  -5.277
  528    H    THR  71           HN       THR  71 -13.621  -2.996  -1.442
  529    HA   THR  71           HA       THR  71 -12.989  -0.808   0.116
  530    HB   THR  71           HB       THR  71 -13.797  -2.130   1.993
  531    HG1  THR  71           HG1      THR  71 -13.097  -4.182   0.387
  532   HG21  THR  71          HG21      THR  71 -15.245  -1.416  -0.258
  533   HG22  THR  71          HG22      THR  71 -15.884  -1.794   1.343
  534   HG23  THR  71          HG23      THR  71 -15.767  -3.058   0.117
  535    H    VAL  72           HN       VAL  72 -11.124  -0.195   1.080
  536    HA   VAL  72           HA       VAL  72  -8.820  -1.549   0.896
  537    HB   VAL  72           HB       VAL  72  -8.436   0.122   3.146
  538   HG11  VAL  72          HG11      VAL  72  -7.634   1.497   0.867
  539   HG12  VAL  72          HG12      VAL  72  -7.621  -0.190   0.349
  540   HG13  VAL  72          HG13      VAL  72  -6.676   0.306   1.754
  541   HG21  VAL  72          HG21      VAL  72  -9.430   2.188   2.512
  542   HG22  VAL  72          HG22      VAL  72 -10.747   1.032   2.346
  543   HG23  VAL  72          HG23      VAL  72  -9.877   1.598   0.902
  544    H    GLY  73           HN       GLY  73 -11.289  -2.238   2.978
  545    HA2  GLY  73           HA2      GLY  73  -9.812  -3.544   5.072
  546    HA3  GLY  73           HA1      GLY  73 -11.520  -3.672   4.710
  547    H    ASN  74           HN       ASN  74 -11.833  -4.652   2.369
  548    HA   ASN  74           HA       ASN  74 -11.050  -7.379   2.594
  549    HB2  ASN  74           HB2      ASN  74 -13.158  -6.544   1.487
  550    HB3  ASN  74           HB1      ASN  74 -12.160  -5.946   0.155
  551   HD21  ASN  74          HD21      ASN  74 -14.204  -8.295   0.920
  552   HD22  ASN  74          HD22      ASN  74 -13.566  -9.605  -0.037
  553    H    ILE  75           HN       ILE  75  -9.571  -4.615   1.260
  554    HA   ILE  75           HA       ILE  75  -7.782  -5.998  -0.562
  555    HB   ILE  75           HB       ILE  75  -7.496  -3.327   0.755
  556   HG12  ILE  75          HG12      ILE  75  -8.390  -3.986  -2.086
  557   HG13  ILE  75          HG11      ILE  75  -9.441  -3.419  -0.756
  558   HG21  ILE  75          HG21      ILE  75  -5.808  -2.889  -1.013
  559   HG22  ILE  75          HG22      ILE  75  -5.911  -4.595  -1.453
  560   HG23  ILE  75          HG23      ILE  75  -5.340  -4.131   0.147
  561   HD11  ILE  75          HD11      ILE  75  -7.244  -1.623  -1.045
  562   HD12  ILE  75          HD12      ILE  75  -8.969  -1.327  -1.255
  563   HD13  ILE  75          HD13      ILE  75  -8.000  -1.885  -2.616
  564    H    SER  76           HN       SER  76  -7.673  -4.879   2.802
  565    HA   SER  76           HA       SER  76  -4.987  -5.791   3.179
  566    HB2  SER  76           HB2      SER  76  -5.750  -4.023   4.601
  567    HB3  SER  76           HB1      SER  76  -7.127  -4.986   5.162
  568    HG   SER  76           HG       SER  76  -4.962  -6.404   5.650
  569    H    ASN  77           HN       ASN  77  -8.039  -7.277   3.132
  570    HA   ASN  77           HA       ASN  77  -7.419  -9.650   4.607
  571    HB2  ASN  77           HB2      ASN  77  -9.259  -9.192   2.236
  572    HB3  ASN  77           HB1      ASN  77  -9.138 -10.717   3.117
  573   HD21  ASN  77          HD21      ASN  77  -8.694  -8.454   5.406
  574   HD22  ASN  77          HD22      ASN  77 -10.330  -8.232   5.932
  575    H    ASP  78           HN       ASP  78  -6.707  -8.310   1.500
  576    HA   ASP  78           HA       ASP  78  -5.457 -10.714   0.480
  577    HB2  ASP  78           HB2      ASP  78  -5.898  -7.951  -0.631
  578    HB3  ASP  78           HB1      ASP  78  -4.855  -9.124  -1.458
  579    H    ILE  79           HN       ILE  79  -4.410  -7.532   1.635
  580    HA   ILE  79           HA       ILE  79  -1.805  -7.766   0.711
  581    HB   ILE  79           HB       ILE  79  -2.598  -6.218   3.199
  582   HG12  ILE  79          HG12      ILE  79  -2.707  -5.419   0.283
  583   HG13  ILE  79          HG11      ILE  79  -4.117  -5.758   1.315
  584   HG21  ILE  79          HG21      ILE  79  -0.605  -5.278   1.199
  585   HG22  ILE  79          HG22      ILE  79  -0.120  -6.564   2.305
  586   HG23  ILE  79          HG23      ILE  79  -0.670  -5.012   2.940
  587   HD11  ILE  79          HD11      ILE  79  -3.365  -3.868   2.766
  588   HD12  ILE  79          HD12      ILE  79  -3.867  -3.403   1.139
  589   HD13  ILE  79          HD13      ILE  79  -2.151  -3.491   1.543
  590    H    ASN  80           HN       ASN  80  -3.245  -9.199   3.505
  591    HA   ASN  80           HA       ASN  80  -0.814  -9.735   4.867
  592    HB2  ASN  80           HB2      ASN  80  -3.585 -10.878   5.140
  593    HB3  ASN  80           HB1      ASN  80  -2.234 -11.384   6.133
  594   HD21  ASN  80          HD21      ASN  80  -4.840  -9.515   6.190
  595   HD22  ASN  80          HD22      ASN  80  -4.310  -8.259   7.270
  596    H    LYS  81           HN       LYS  81  -2.616 -11.423   2.331
  597    HA   LYS  81           HA       LYS  81  -0.925 -13.735   2.626
  598    HB2  LYS  81           HB2      LYS  81  -1.963 -14.533   0.489
  599    HB3  LYS  81           HB1      LYS  81  -3.054 -14.329   1.846
  600    HG2  LYS  81           HG2      LYS  81  -2.822 -12.004   0.084
  601    HG3  LYS  81           HG1      LYS  81  -3.542 -13.454  -0.646
  602    HD2  LYS  81           HD2      LYS  81  -4.409 -12.267   1.982
  603    HD3  LYS  81           HD1      LYS  81  -5.153 -11.860   0.436
  604    HE2  LYS  81           HE2      LYS  81  -6.499 -13.515   1.553
  605    HE3  LYS  81           HE1      LYS  81  -5.756 -14.236   0.128
  606    HZ1  LYS  81           HZ1      LYS  81  -4.341 -15.513   1.412
  607    HZ2  LYS  81           HZ2      LYS  81  -5.773 -15.539   2.323
  608    HZ3  LYS  81           HZ3      LYS  81  -4.493 -14.517   2.785
  609    H    LEU  82           HN       LEU  82  -1.284 -11.077   0.272
  610    HA   LEU  82           HA       LEU  82   0.629 -11.784  -1.548
  611    HB2  LEU  82           HB2      LEU  82  -0.396  -9.187  -0.562
  612    HB3  LEU  82           HB1      LEU  82   0.953  -9.226  -1.716
  613    HG   LEU  82           HG       LEU  82  -1.272  -8.970  -2.746
  614   HD11  LEU  82          HD11      LEU  82   0.712  -9.970  -3.903
  615   HD12  LEU  82          HD12      LEU  82  -0.857 -10.399  -4.586
  616   HD13  LEU  82          HD13      LEU  82   0.002 -11.547  -3.560
  617   HD21  LEU  82          HD21      LEU  82  -1.748 -11.771  -1.829
  618   HD22  LEU  82          HD22      LEU  82  -2.733 -10.907  -3.008
  619   HD23  LEU  82          HD23      LEU  82  -2.652 -10.335  -1.341
  620    H    ASN  83           HN       ASN  83   1.132 -10.620   1.688
  621    HA   ASN  83           HA       ASN  83   3.003 -10.179   2.941
  622    HB2  ASN  83           HB2      ASN  83   3.190 -12.626   2.510
  623    HB3  ASN  83           HB1      ASN  83   4.186 -12.274   1.098
  624   HD21  ASN  83          HD21      ASN  83   4.851 -10.061   3.531
  625   HD22  ASN  83          HD22      ASN  83   6.251 -10.842   4.203
  626    H    ILE  84           HN       ILE  84   3.049  -8.027   1.795
  627    HA   ILE  84           HA       ILE  84   4.923  -7.689  -0.317
  628    HB   ILE  84           HB       ILE  84   3.607  -5.574   1.370
  629   HG12  ILE  84          HG12      ILE  84   1.940  -7.028   0.301
  630   HG13  ILE  84          HG11      ILE  84   1.955  -5.416  -0.457
  631   HG21  ILE  84          HG21      ILE  84   5.075  -5.475  -1.242
  632   HG22  ILE  84          HG22      ILE  84   5.379  -4.544   0.226
  633   HG23  ILE  84          HG23      ILE  84   3.946  -4.214  -0.748
  634   HD11  ILE  84          HD11      ILE  84   1.928  -6.676  -2.331
  635   HD12  ILE  84          HD12      ILE  84   2.713  -8.054  -1.561
  636   HD13  ILE  84          HD13      ILE  84   3.672  -6.665  -2.072
  637    H    LYS  85           HN       LYS  85   6.972  -8.256   0.290
  638    HA   LYS  85           HA       LYS  85   8.409  -6.369   1.947
  639    HB2  LYS  85           HB2      LYS  85   8.114  -9.274   2.667
  640    HB3  LYS  85           HB1      LYS  85   9.533  -8.363   3.145
  641    HG2  LYS  85           HG2      LYS  85   6.707  -7.615   3.857
  642    HG3  LYS  85           HG1      LYS  85   7.808  -8.515   4.907
  643    HD2  LYS  85           HD2      LYS  85   8.296  -5.739   3.815
  644    HD3  LYS  85           HD1      LYS  85   7.757  -6.114   5.457
  645    HE2  LYS  85           HE2      LYS  85   9.817  -7.348   5.871
  646    HE3  LYS  85           HE1      LYS  85  10.348  -7.051   4.218
  647    HZ1  LYS  85           HZ1      LYS  85   9.714  -4.758   5.941
  648    HZ2  LYS  85           HZ2      LYS  85  10.821  -4.872   4.660
  649    HZ3  LYS  85           HZ3      LYS  85  11.188  -5.566   6.166
  650    H    GLY  86           HN       GLY  86   9.554  -5.818   0.112
  651    HA2  GLY  86           HA2      GLY  86  11.351  -5.863  -1.309
  652    HA3  GLY  86           HA1      GLY  86  11.961  -7.174  -0.280
  653    HA   PRO  87           HA       PRO  87  13.125  -6.288  -2.293
  654    HB2  PRO  87           HB2      PRO  87  14.234  -6.392  -4.712
  655    HB3  PRO  87           HB1      PRO  87  14.419  -7.715  -3.561
  656    HG2  PRO  87           HG2      PRO  87  12.695  -7.520  -5.973
  657    HG3  PRO  87           HG1      PRO  87  13.529  -8.932  -5.301
  658    HD2  PRO  87           HD2      PRO  87  10.807  -8.222  -4.940
  659    HD3  PRO  87           HD1      PRO  87  11.710  -9.505  -4.076
  660    H    TYR  88           HN       TYR  88  13.831  -4.338  -3.769
  661    HA   TYR  88           HA       TYR  88  12.860  -2.141  -3.872
  662    HB2  TYR  88           HB2      TYR  88  12.838  -3.383  -6.638
  663    HB3  TYR  88           HB1      TYR  88  12.860  -1.624  -6.284
  664    HD1  TYR  88           HD1      TYR  88  14.819  -4.664  -5.264
  665    HD2  TYR  88           HD2      TYR  88  14.897  -0.627  -6.576
  666    HE1  TYR  88           HE1      TYR  88  17.276  -4.717  -5.233
  667    HE2  TYR  88           HE2      TYR  88  17.357  -0.661  -6.556
  668    HH   TYR  88           HH       TYR  88  19.159  -3.528  -6.301
  669    H    ILE  89           HN       ILE  89  10.843  -1.912  -2.913
  670    HA   ILE  89           HA       ILE  89   8.505  -2.468  -4.628
  671    HB   ILE  89           HB       ILE  89   8.677  -2.192  -1.617
  672   HG12  ILE  89          HG12      ILE  89   8.006  -4.550  -3.421
  673   HG13  ILE  89          HG11      ILE  89   9.560  -4.361  -2.569
  674   HG21  ILE  89          HG21      ILE  89   6.535  -1.628  -1.716
  675   HG22  ILE  89          HG22      ILE  89   6.226  -3.271  -2.275
  676   HG23  ILE  89          HG23      ILE  89   6.441  -1.969  -3.444
  677   HD11  ILE  89          HD11      ILE  89   8.291  -4.420  -0.434
  678   HD12  ILE  89          HD12      ILE  89   8.165  -5.901  -1.384
  679   HD13  ILE  89          HD13      ILE  89   6.826  -4.753  -1.355
  680    H    GLU  90           HN       GLU  90   7.137  -0.944  -5.186
  681    HA   GLU  90           HA       GLU  90   7.372   1.711  -3.956
  682    HB2  GLU  90           HB2      GLU  90   8.480   1.769  -6.165
  683    HB3  GLU  90           HB1      GLU  90   6.987   1.168  -6.916
  684    HG2  GLU  90           HG2      GLU  90   5.828   3.198  -6.219
  685    HG3  GLU  90           HG1      GLU  90   7.309   3.796  -5.472
  686    H    ILE  91           HN       ILE  91   5.551   1.471  -2.718
  687    HA   ILE  91           HA       ILE  91   3.062   0.575  -3.944
  688    HB   ILE  91           HB       ILE  91   3.389   1.383  -1.063
  689   HG12  ILE  91          HG12      ILE  91   4.087  -1.312  -2.229
  690   HG13  ILE  91          HG11      ILE  91   5.238  -0.163  -1.561
  691   HG21  ILE  91          HG21      ILE  91   1.899  -0.927  -1.197
  692   HG22  ILE  91          HG22      ILE  91   1.412  -0.056  -2.644
  693   HG23  ILE  91          HG23      ILE  91   1.254   0.706  -1.052
  694   HD11  ILE  91          HD11      ILE  91   3.976  -2.214  -0.212
  695   HD12  ILE  91          HD12      ILE  91   3.106  -0.766   0.301
  696   HD13  ILE  91          HD13      ILE  91   4.857  -0.869   0.513
  697    H    LYS  92           HN       LYS  92   1.967   2.215  -5.000
  698    HA   LYS  92           HA       LYS  92   1.093   4.489  -3.525
  699    HB2  LYS  92           HB2      LYS  92   2.187   6.247  -4.523
  700    HB3  LYS  92           HB1      LYS  92   3.480   5.045  -4.576
  701    HG2  LYS  92           HG2      LYS  92   1.615   5.728  -6.847
  702    HG3  LYS  92           HG1      LYS  92   3.265   6.310  -6.660
  703    HD2  LYS  92           HD2      LYS  92   4.116   4.042  -6.916
  704    HD3  LYS  92           HD1      LYS  92   2.462   3.422  -6.979
  705    HE2  LYS  92           HE2      LYS  92   2.065   4.289  -9.093
  706    HE3  LYS  92           HE1      LYS  92   3.280   5.554  -8.883
  707    HZ1  LYS  92           HZ1      LYS  92   3.876   2.692  -9.327
  708    HZ2  LYS  92           HZ2      LYS  92   5.029   3.911  -9.106
  709    HZ3  LYS  92           HZ3      LYS  92   4.026   3.926 -10.478
  710    H    GLN  93           HN       GLN  93  -0.331   5.930  -5.035
  711    HA   GLN  93           HA       GLN  93  -1.841   4.072  -6.647
  712    HB2  GLN  93           HB2      GLN  93  -3.488   5.860  -6.925
  713    HB3  GLN  93           HB1      GLN  93  -3.189   5.417  -5.240
  714    HG2  GLN  93           HG2      GLN  93  -1.655   7.350  -5.083
  715    HG3  GLN  93           HG1      GLN  93  -2.174   7.842  -6.693
  716   HE21  GLN  93          HE21      GLN  93  -3.667   9.349  -6.681
  717   HE22  GLN  93          HE22      GLN  93  -4.893   9.570  -5.483
  718    H    ILE  94           HN       ILE  94  -2.697   4.745  -8.695
  719    HA   ILE  94           HA       ILE  94  -0.596   5.979 -10.338
  720    HB   ILE  94           HB       ILE  94  -0.929   4.028 -11.838
  721   HG12  ILE  94          HG12      ILE  94  -2.518   3.080  -9.448
  722   HG13  ILE  94          HG11      ILE  94  -3.084   3.325 -11.096
  723   HG21  ILE  94          HG21      ILE  94   0.444   4.122  -9.311
  724   HG22  ILE  94          HG22      ILE  94   0.969   3.429 -10.846
  725   HG23  ILE  94          HG23      ILE  94   0.001   2.463  -9.726
  726   HD11  ILE  94          HD11      ILE  94  -2.671   1.216 -11.538
  727   HD12  ILE  94          HD12      ILE  94  -2.049   1.000  -9.901
  728   HD13  ILE  94          HD13      ILE  94  -0.960   1.489 -11.201
  Start of MODEL   15
    1    H    ASP   1           HT1      ASP   1   9.837  10.328 -12.217
    2    HA   ASP   1           HA       ASP   1   9.237   8.769 -10.394
    3    HB2  ASP   1           HB2      ASP   1   8.658   8.367 -12.769
    4    HB3  ASP   1           HB1      ASP   1  10.200   7.545 -12.995
    5    H    ASN   2           HN       ASN   2  10.640   8.540  -8.678
    6    HA   ASN   2           HA       ASN   2  12.179   7.555  -7.332
    7    HB2  ASN   2           HB2      ASN   2  12.006   5.325  -9.369
    8    HB3  ASN   2           HB1      ASN   2  12.746   5.188  -7.777
    9   HD21  ASN   2          HD21      ASN   2  10.045   4.546  -9.480
   10   HD22  ASN   2          HD22      ASN   2   8.882   4.507  -8.197
   11    H    GLN   3           HN       GLN   3  13.463   9.418  -8.462
   12    HA   GLN   3           HA       GLN   3  15.677   8.503 -10.082
   13    HB2  GLN   3           HB2      GLN   3  16.509  10.810  -9.889
   14    HB3  GLN   3           HB1      GLN   3  14.834  10.768 -10.418
   15    HG2  GLN   3           HG2      GLN   3  14.098  11.336  -8.164
   16    HG3  GLN   3           HG1      GLN   3  15.773  11.347  -7.614
   17   HE21  GLN   3          HE21      GLN   3  15.876  12.488 -10.665
   18   HE22  GLN   3          HE22      GLN   3  15.745  14.184 -10.357
   19    H    LYS   4           HN       LYS   4  14.911   8.605  -6.787
   20    HA   LYS   4           HA       LYS   4  17.739   8.475  -6.008
   21    HB2  LYS   4           HB2      LYS   4  16.369  10.100  -4.773
   22    HB3  LYS   4           HB1      LYS   4  15.264   8.816  -4.296
   23    HG2  LYS   4           HG2      LYS   4  16.783   9.404  -2.486
   24    HG3  LYS   4           HG1      LYS   4  17.042   7.741  -3.021
   25    HD2  LYS   4           HD2      LYS   4  18.952   8.489  -4.376
   26    HD3  LYS   4           HD1      LYS   4  18.700  10.140  -3.800
   27    HE2  LYS   4           HE2      LYS   4  19.099   9.385  -1.499
   28    HE3  LYS   4           HE1      LYS   4  19.371   7.746  -2.089
   29    HZ1  LYS   4           HZ1      LYS   4  21.105   9.082  -3.590
   30    HZ2  LYS   4           HZ2      LYS   4  21.501   8.429  -2.070
   31    HZ3  LYS   4           HZ3      LYS   4  21.104  10.077  -2.209
   32    H    ALA   5           HN       ALA   5  14.698   6.733  -5.930
   33    HA   ALA   5           HA       ALA   5  14.202   4.520  -5.757
   34    HB1  ALA   5           HB1      ALA   5  15.972   3.650  -6.943
   35    HB2  ALA   5           HB2      ALA   5  16.181   2.878  -5.371
   36    HB3  ALA   5           HB3      ALA   5  17.177   4.267  -5.812
   37    H    LEU   6           HN       LEU   6  16.661   5.624  -3.438
   38    HA   LEU   6           HA       LEU   6  15.662   3.965  -1.310
   39    HB2  LEU   6           HB2      LEU   6  17.540   6.331  -1.258
   40    HB3  LEU   6           HB1      LEU   6  17.117   5.390   0.154
   41    HG   LEU   6           HG       LEU   6  18.135   3.386  -0.953
   42   HD11  LEU   6          HD11      LEU   6  18.079   3.923  -3.256
   43   HD12  LEU   6          HD12      LEU   6  19.779   3.893  -2.784
   44   HD13  LEU   6          HD13      LEU   6  18.949   5.436  -2.995
   45   HD21  LEU   6          HD21      LEU   6  19.273   5.210   0.588
   46   HD22  LEU   6          HD22      LEU   6  20.260   5.447  -0.855
   47   HD23  LEU   6          HD23      LEU   6  20.179   3.859  -0.092
   48    H    GLU   7           HN       GLU   7  14.092   6.269  -2.780
   49    HA   GLU   7           HA       GLU   7  13.314   8.032  -0.669
   50    HB2  GLU   7           HB2      GLU   7  13.199   8.683  -3.032
   51    HB3  GLU   7           HB1      GLU   7  11.998   7.436  -3.329
   52    HG2  GLU   7           HG2      GLU   7  10.941   9.588  -3.173
   53    HG3  GLU   7           HG1      GLU   7  10.454   8.581  -1.812
   54    H    GLU   8           HN       GLU   8  12.589   4.820  -1.368
   55    HA   GLU   8           HA       GLU   8   9.897   4.741  -0.439
   56    HB2  GLU   8           HB2      GLU   8  10.392   2.254  -0.324
   57    HB3  GLU   8           HB1      GLU   8  10.580   3.004  -1.903
   58    HG2  GLU   8           HG2      GLU   8  12.997   3.114  -1.569
   59    HG3  GLU   8           HG1      GLU   8  12.812   2.366   0.015
   60    H    GLN   9           HN       GLN   9  12.929   5.063   1.042
   61    HA   GLN   9           HA       GLN   9  12.048   3.886   3.569
   62    HB2  GLN   9           HB2      GLN   9  14.727   5.114   2.901
   63    HB3  GLN   9           HB1      GLN   9  14.341   4.090   4.277
   64    HG2  GLN   9           HG2      GLN   9  14.377   3.269   1.384
   65    HG3  GLN   9           HG1      GLN   9  15.560   2.840   2.620
   66   HE21  GLN   9          HE21      GLN   9  12.834   1.893   1.003
   67   HE22  GLN   9          HE22      GLN   9  12.326   0.610   2.060
   68    H    MET  10           HN       MET  10  11.539   6.806   2.190
   69    HA   MET  10           HA       MET  10  12.336   8.311   4.576
   70    HB2  MET  10           HB2      MET  10  13.161   9.116   2.404
   71    HB3  MET  10           HB1      MET  10  11.505   9.337   1.857
   72    HG2  MET  10           HG2      MET  10  11.147  11.014   3.591
   73    HG3  MET  10           HG1      MET  10  12.801  10.784   4.157
   74    HE1  MET  10           HE1      MET  10  13.370  13.517   3.824
   75    HE2  MET  10           HE2      MET  10  11.623  13.508   3.577
   76    HE3  MET  10           HE3      MET  10  12.670  14.350   2.435
   77    H    ASN  11           HN       ASN  11   9.643   9.014   2.321
   78    HA   ASN  11           HA       ASN  11   7.903   9.202   4.704
   79    HB2  ASN  11           HB2      ASN  11   7.175  10.256   1.966
   80    HB3  ASN  11           HB1      ASN  11   6.397  10.584   3.499
   81   HD21  ASN  11          HD21      ASN  11   6.754  12.489   4.310
   82   HD22  ASN  11          HD22      ASN  11   8.172  13.450   4.083
   83    H    SER  12           HN       SER  12   8.410   7.894   1.600
   84    HA   SER  12           HA       SER  12   6.419   6.980   0.394
   85    HB2  SER  12           HB2      SER  12   8.653   6.116  -0.003
   86    HB3  SER  12           HB1      SER  12   8.531   5.104   1.451
   87    HG   SER  12           HG       SER  12   8.056   3.834  -0.344
   88    H    ILE  13           HN       ILE  13   7.394   4.778   2.967
   89    HA   ILE  13           HA       ILE  13   4.989   3.292   2.883
   90    HB   ILE  13           HB       ILE  13   7.285   3.318   4.838
   91   HG12  ILE  13          HG12      ILE  13   6.702   1.629   2.412
   92   HG13  ILE  13          HG11      ILE  13   7.920   2.919   2.561
   93   HG21  ILE  13          HG21      ILE  13   6.075   0.745   4.628
   94   HG22  ILE  13          HG22      ILE  13   4.812   1.913   5.015
   95   HG23  ILE  13          HG23      ILE  13   6.226   1.766   6.058
   96   HD11  ILE  13          HD11      ILE  13   9.212   1.614   4.064
   97   HD12  ILE  13          HD12      ILE  13   8.775   0.552   2.726
   98   HD13  ILE  13          HD13      ILE  13   7.917   0.434   4.265
   99    H    ASN  14           HN       ASN  14   5.696   6.148   4.292
  100    HA   ASN  14           HA       ASN  14   3.654   5.895   6.411
  101    HB2  ASN  14           HB2      ASN  14   5.524   8.193   5.785
  102    HB3  ASN  14           HB1      ASN  14   4.308   8.207   7.055
  103   HD21  ASN  14          HD21      ASN  14   5.349   5.127   7.015
  104   HD22  ASN  14          HD22      ASN  14   6.629   5.225   8.173
  105    H    SER  15           HN       SER  15   4.494   7.790   3.535
  106    HA   SER  15           HA       SER  15   2.165   9.344   3.465
  107    HB2  SER  15           HB2      SER  15   3.944   8.587   1.149
  108    HB3  SER  15           HB1      SER  15   2.768   9.910   1.190
  109    HG   SER  15           HG       SER  15   4.008  10.849   2.885
  110    H    VAL  16           HN       VAL  16   2.859   6.113   2.440
  111    HA   VAL  16           HA       VAL  16   0.863   5.702   0.500
  112    HB   VAL  16           HB       VAL  16   2.641   4.048   0.955
  113   HG11  VAL  16          HG11      VAL  16   2.299   2.523   2.945
  114   HG12  VAL  16          HG12      VAL  16   1.279   3.802   3.604
  115   HG13  VAL  16          HG13      VAL  16   2.978   4.119   3.255
  116   HG21  VAL  16          HG21      VAL  16   1.334   2.402   0.192
  117   HG22  VAL  16          HG22      VAL  16  -0.038   3.480   0.460
  118   HG23  VAL  16          HG23      VAL  16   0.436   2.327   1.705
  119    H    ASN  17           HN       ASN  17   0.768   5.761   3.971
  120    HA   ASN  17           HA       ASN  17  -1.864   4.720   4.280
  121    HB2  ASN  17           HB2      ASN  17  -0.277   6.571   6.088
  122    HB3  ASN  17           HB1      ASN  17  -1.796   5.802   6.528
  123   HD21  ASN  17          HD21      ASN  17  -1.524   4.153   7.814
  124   HD22  ASN  17          HD22      ASN  17  -0.195   3.049   7.803
  125    H    ASP  18           HN       ASP  18  -0.445   7.898   3.908
  126    HA   ASP  18           HA       ASP  18  -2.764   9.432   4.144
  127    HB2  ASP  18           HB2      ASP  18  -0.155   9.812   2.696
  128    HB3  ASP  18           HB1      ASP  18  -1.388  11.046   2.711
  129    H    LYS  19           HN       LYS  19  -1.916   7.202   1.745
  130    HA   LYS  19           HA       LYS  19  -3.566   8.430  -0.343
  131    HB2  LYS  19           HB2      LYS  19  -1.534   6.314  -0.200
  132    HB3  LYS  19           HB1      LYS  19  -2.914   5.862  -1.159
  133    HG2  LYS  19           HG2      LYS  19  -1.395   6.741  -2.682
  134    HG3  LYS  19           HG1      LYS  19  -2.557   8.053  -2.412
  135    HD2  LYS  19           HD2      LYS  19  -0.344   8.963  -2.406
  136    HD3  LYS  19           HD1      LYS  19  -0.981   9.019  -0.767
  137    HE2  LYS  19           HE2      LYS  19   0.349   7.177  -0.081
  138    HE3  LYS  19           HE1      LYS  19   0.786   6.797  -1.757
  139    HZ1  LYS  19           HZ1      LYS  19   1.657   9.131  -0.144
  140    HZ2  LYS  19           HZ2      LYS  19   1.889   9.032  -1.820
  141    HZ3  LYS  19           HZ3      LYS  19   2.625   7.894  -0.800
  142    H    LEU  20           HN       LEU  20  -3.303   5.664   1.683
  143    HA   LEU  20           HA       LEU  20  -5.676   4.383   0.775
  144    HB2  LEU  20           HB2      LEU  20  -3.850   3.849   3.101
  145    HB3  LEU  20           HB1      LEU  20  -4.965   2.687   2.378
  146    HG   LEU  20           HG       LEU  20  -2.533   3.895   1.060
  147   HD11  LEU  20          HD11      LEU  20  -1.717   2.315   2.530
  148   HD12  LEU  20          HD12      LEU  20  -1.889   1.416   1.022
  149   HD13  LEU  20          HD13      LEU  20  -3.094   1.238   2.297
  150   HD21  LEU  20          HD21      LEU  20  -4.761   3.146  -0.261
  151   HD22  LEU  20          HD22      LEU  20  -3.917   1.598  -0.166
  152   HD23  LEU  20          HD23      LEU  20  -3.132   2.986  -0.918
  153    H    ASN  21           HN       ASN  21  -4.893   6.559   3.273
  154    HA   ASN  21           HA       ASN  21  -7.097   5.693   4.966
  155    HB2  ASN  21           HB2      ASN  21  -4.510   6.247   5.513
  156    HB3  ASN  21           HB1      ASN  21  -5.207   7.849   5.789
  157   HD21  ASN  21          HD21      ASN  21  -4.383   4.994   7.136
  158   HD22  ASN  21          HD22      ASN  21  -5.374   5.020   8.567
  159    H    LYS  22           HN       LYS  22  -8.991   6.734   4.104
  160    HA   LYS  22           HA       LYS  22  -8.612   9.616   3.548
  161    HB2  LYS  22           HB2      LYS  22 -10.615   7.774   2.230
  162    HB3  LYS  22           HB1      LYS  22 -10.335   9.470   1.836
  163    HG2  LYS  22           HG2      LYS  22  -9.249   8.283   0.143
  164    HG3  LYS  22           HG1      LYS  22  -7.946   8.755   1.239
  165    HD2  LYS  22           HD2      LYS  22  -7.704   6.444   0.503
  166    HD3  LYS  22           HD1      LYS  22  -7.970   6.542   2.245
  167    HE2  LYS  22           HE2      LYS  22 -10.367   6.037   1.853
  168    HE3  LYS  22           HE1      LYS  22 -10.008   5.838   0.138
  169    HZ1  LYS  22           HZ1      LYS  22 -10.009   3.833   1.862
  170    HZ2  LYS  22           HZ2      LYS  22  -8.381   4.278   1.973
  171    HZ3  LYS  22           HZ3      LYS  22  -9.039   3.846   0.468
  172    H    GLY  23           HN       GLY  23 -11.049   7.331   4.777
  173    HA2  GLY  23           HA2      GLY  23 -12.068   8.906   6.749
  174    HA3  GLY  23           HA1      GLY  23 -12.917   9.392   5.271
  175    H    LYS  24           HN       LYS  24 -14.004   7.639   4.043
  176    HA   LYS  24           HA       LYS  24 -15.819   6.166   5.556
  177    HB2  LYS  24           HB2      LYS  24 -15.917   6.683   3.054
  178    HB3  LYS  24           HB1      LYS  24 -14.782   5.330   2.824
  179    HG2  LYS  24           HG2      LYS  24 -17.016   4.591   2.362
  180    HG3  LYS  24           HG1      LYS  24 -16.449   3.817   3.850
  181    HD2  LYS  24           HD2      LYS  24 -17.738   5.334   5.194
  182    HD3  LYS  24           HD1      LYS  24 -18.161   6.306   3.783
  183    HE2  LYS  24           HE2      LYS  24 -19.445   4.466   2.863
  184    HE3  LYS  24           HE1      LYS  24 -18.971   3.427   4.210
  185    HZ1  LYS  24           HZ1      LYS  24 -20.680   5.858   4.333
  186    HZ2  LYS  24           HZ2      LYS  24 -20.102   5.037   5.705
  187    HZ3  LYS  24           HZ3      LYS  24 -21.152   4.251   4.623
  188    H    GLY  25           HN       GLY  25 -13.075   4.938   3.721
  189    HA2  GLY  25           HA2      GLY  25 -12.453   3.116   5.892
  190    HA3  GLY  25           HA1      GLY  25 -12.618   2.452   4.285
  191    H    LYS  26           HN       LYS  26 -10.361   2.343   5.838
  192    HA   LYS  26           HA       LYS  26  -8.454   3.932   4.326
  193    HB2  LYS  26           HB2      LYS  26  -7.482   4.314   6.707
  194    HB3  LYS  26           HB1      LYS  26  -8.773   5.353   6.085
  195    HG2  LYS  26           HG2      LYS  26 -10.360   3.714   7.120
  196    HG3  LYS  26           HG1      LYS  26  -8.963   3.042   7.979
  197    HD2  LYS  26           HD2      LYS  26 -10.150   4.716   9.348
  198    HD3  LYS  26           HD1      LYS  26  -8.505   5.241   8.954
  199    HE2  LYS  26           HE2      LYS  26  -9.324   6.647   7.186
  200    HE3  LYS  26           HE1      LYS  26 -10.969   6.052   7.416
  201    HZ1  LYS  26           HZ1      LYS  26  -9.658   7.233   9.749
  202    HZ2  LYS  26           HZ2      LYS  26 -11.270   7.379   9.220
  203    HZ3  LYS  26           HZ3      LYS  26 -10.044   8.305   8.487
  204    H    LEU  27           HN       LEU  27  -6.223   3.259   4.750
  205    HA   LEU  27           HA       LEU  27  -6.061   0.502   5.687
  206    HB2  LEU  27           HB2      LEU  27  -6.387   0.378   3.373
  207    HB3  LEU  27           HB1      LEU  27  -5.121   1.582   3.053
  208    HG   LEU  27           HG       LEU  27  -3.437   0.005   3.861
  209   HD11  LEU  27          HD11      LEU  27  -5.109  -1.229   5.358
  210   HD12  LEU  27          HD12      LEU  27  -3.908  -2.203   4.509
  211   HD13  LEU  27          HD13      LEU  27  -5.563  -2.119   3.904
  212   HD21  LEU  27          HD21      LEU  27  -4.627   0.049   1.452
  213   HD22  LEU  27          HD22      LEU  27  -4.898  -1.638   1.895
  214   HD23  LEU  27          HD23      LEU  27  -3.257  -0.992   1.844
  215    H    SER  28           HN       SER  28  -4.279  -0.013   6.742
  216    HA   SER  28           HA       SER  28  -2.154   1.994   7.082
  217    HB2  SER  28           HB2      SER  28  -3.374   0.081   9.092
  218    HB3  SER  28           HB1      SER  28  -2.051   1.195   9.441
  219    HG   SER  28           HG       SER  28  -4.133   2.001  10.088
  220    H    LEU  29           HN       LEU  29   0.000   1.155   7.153
  221    HA   LEU  29           HA       LEU  29   0.207  -1.755   6.955
  222    HB2  LEU  29           HB2      LEU  29   1.854  -0.165   5.054
  223    HB3  LEU  29           HB1      LEU  29   1.219  -1.820   4.923
  224    HG   LEU  29           HG       LEU  29  -1.101  -0.567   4.760
  225   HD11  LEU  29          HD11      LEU  29  -0.410   1.514   3.207
  226   HD12  LEU  29          HD12      LEU  29   0.867   1.577   4.423
  227   HD13  LEU  29          HD13      LEU  29  -0.824   1.636   4.917
  228   HD21  LEU  29          HD21      LEU  29   0.769  -0.532   2.392
  229   HD22  LEU  29          HD22      LEU  29  -0.983  -0.738   2.388
  230   HD23  LEU  29          HD23      LEU  29   0.053  -2.008   3.038
  231    H    SER  30           HN       SER  30   2.163  -2.648   7.483
  232    HA   SER  30           HA       SER  30   4.451  -1.031   8.160
  233    HB2  SER  30           HB2      SER  30   3.058  -2.646  10.326
  234    HB3  SER  30           HB1      SER  30   4.611  -1.829  10.493
  235    HG   SER  30           HG       SER  30   2.736  -0.108   9.587
  236    H    MET  31           HN       MET  31   6.030  -2.840   9.420
  237    HA   MET  31           HA       MET  31   5.730  -5.416   8.063
  238    HB2  MET  31           HB2      MET  31   8.021  -5.326   7.153
  239    HB3  MET  31           HB1      MET  31   6.961  -4.093   6.433
  240    HG2  MET  31           HG2      MET  31   7.948  -2.411   7.933
  241    HG3  MET  31           HG1      MET  31   9.025  -3.641   8.591
  242    HE1  MET  31           HE1      MET  31  10.758  -4.724   5.182
  243    HE2  MET  31           HE2      MET  31   9.714  -5.370   6.448
  244    HE3  MET  31           HE3      MET  31  11.280  -4.675   6.866
  245    H    ASN  32           HN       ASN  32   7.339  -6.973   8.735
  246    HA   ASN  32           HA       ASN  32   8.635  -6.426  11.300
  247    HB2  ASN  32           HB2      ASN  32   6.353  -7.364  11.794
  248    HB3  ASN  32           HB1      ASN  32   6.793  -8.804  10.860
  249   HD21  ASN  32          HD21      ASN  32   6.510  -7.635  13.880
  250   HD22  ASN  32          HD22      ASN  32   7.644  -8.658  14.712
  251    H    GLY  33           HN       GLY  33  10.589  -6.583  10.133
  252    HA2  GLY  33           HA2      GLY  33  12.453  -7.740   9.349
  253    HA3  GLY  33           HA1      GLY  33  11.614  -9.247   9.786
  254    H    ASN  34           HN       ASN  34  10.561 -10.394   8.243
  255    HA   ASN  34           HA       ASN  34  10.785  -9.404   5.473
  256    HB2  ASN  34           HB2      ASN  34  10.499 -12.233   6.523
  257    HB3  ASN  34           HB1      ASN  34  10.500 -11.801   4.819
  258   HD21  ASN  34          HD21      ASN  34  12.571  -9.683   6.148
  259   HD22  ASN  34          HD22      ASN  34  14.061 -10.566   5.969
  260    H    GLN  35           HN       GLN  35   8.618  -9.450   7.868
  261    HA   GLN  35           HA       GLN  35   6.357 -10.534   6.410
  262    HB2  GLN  35           HB2      GLN  35   6.740 -10.828   8.906
  263    HB3  GLN  35           HB1      GLN  35   6.329  -9.120   9.070
  264    HG2  GLN  35           HG2      GLN  35   4.422 -10.511   9.583
  265    HG3  GLN  35           HG1      GLN  35   4.119  -9.552   8.138
  266   HE21  GLN  35          HE21      GLN  35   3.713 -12.500   9.460
  267   HE22  GLN  35          HE22      GLN  35   3.614 -13.470   8.019
  268    H    LEU  36           HN       LEU  36   4.421  -9.359   6.063
  269    HA   LEU  36           HA       LEU  36   4.698  -6.444   6.033
  270    HB2  LEU  36           HB2      LEU  36   4.975  -7.121   3.795
  271    HB3  LEU  36           HB1      LEU  36   3.615  -8.246   3.868
  272    HG   LEU  36           HG       LEU  36   3.229  -6.206   2.480
  273   HD11  LEU  36          HD11      LEU  36   1.272  -7.270   3.163
  274   HD12  LEU  36          HD12      LEU  36   1.032  -5.583   3.627
  275   HD13  LEU  36          HD13      LEU  36   1.476  -6.778   4.844
  276   HD21  LEU  36          HD21      LEU  36   4.341  -4.471   3.592
  277   HD22  LEU  36          HD22      LEU  36   3.545  -4.820   5.127
  278   HD23  LEU  36          HD23      LEU  36   2.624  -4.121   3.797
  279    H    LYS  37           HN       LYS  37   3.009  -5.340   6.813
  280    HA   LYS  37           HA       LYS  37   0.775  -6.934   7.909
  281    HB2  LYS  37           HB2      LYS  37   2.205  -4.614   9.236
  282    HB3  LYS  37           HB1      LYS  37   1.065  -5.746   9.989
  283    HG2  LYS  37           HG2      LYS  37   3.770  -6.528   8.883
  284    HG3  LYS  37           HG1      LYS  37   3.478  -6.105  10.580
  285    HD2  LYS  37           HD2      LYS  37   2.148  -8.375   9.095
  286    HD3  LYS  37           HD1      LYS  37   3.536  -8.548  10.161
  287    HE2  LYS  37           HE2      LYS  37   0.781  -7.592  10.952
  288    HE3  LYS  37           HE1      LYS  37   1.495  -9.160  11.317
  289    HZ1  LYS  37           HZ1      LYS  37   1.674  -6.839  12.830
  290    HZ2  LYS  37           HZ2      LYS  37   3.225  -7.097  12.191
  291    HZ3  LYS  37           HZ3      LYS  37   2.473  -8.319  13.100
  292    H    ALA  38           HN       ALA  38  -1.151  -6.163   7.099
  293    HA   ALA  38           HA       ALA  38  -1.405  -3.232   6.813
  294    HB1  ALA  38           HB1      ALA  38  -3.230  -4.745   5.130
  295    HB2  ALA  38           HB2      ALA  38  -1.537  -5.054   4.738
  296    HB3  ALA  38           HB3      ALA  38  -2.158  -3.404   4.722
  297    H    THR  39           HN       THR  39  -3.448  -2.360   7.134
  298    HA   THR  39           HA       THR  39  -5.503  -3.942   8.438
  299    HB   THR  39           HB       THR  39  -5.438  -2.106  10.320
  300    HG1  THR  39           HG1      THR  39  -2.967  -1.867   9.086
  301   HG21  THR  39          HG21      THR  39  -3.829  -4.584  10.120
  302   HG22  THR  39          HG22      THR  39  -5.120  -4.151  11.242
  303   HG23  THR  39          HG23      THR  39  -3.502  -3.487  11.464
  304    H    SER  40           HN       SER  40  -7.535  -3.035   8.218
  305    HA   SER  40           HA       SER  40  -7.678  -0.363   6.924
  306    HB2  SER  40           HB2      SER  40  -9.934  -1.055   6.185
  307    HB3  SER  40           HB1      SER  40  -8.644  -2.047   5.503
  308    HG   SER  40           HG       SER  40  -9.624  -3.024   7.875
  309    H    SER  41           HN       SER  41  -8.739   1.185   8.022
  310    HA   SER  41           HA       SER  41  -9.901   0.315  10.573
  311    HB2  SER  41           HB2      SER  41  -8.251   2.136  10.738
  312    HB3  SER  41           HB1      SER  41  -9.240   3.134   9.674
  313    HG   SER  41           HG       SER  41  -9.626   2.431  12.350
  314    H    ASN  42           HN       ASN  42 -11.954   0.886  11.188
  315    HA   ASN  42           HA       ASN  42 -14.205   1.236  10.938
  316    HB2  ASN  42           HB2      ASN  42 -13.543   2.112   8.108
  317    HB3  ASN  42           HB1      ASN  42 -15.208   2.020   8.784
  318   HD21  ASN  42          HD21      ASN  42 -12.721   4.057   8.144
  319   HD22  ASN  42          HD22      ASN  42 -13.060   5.308   9.316
  320    H    ALA  43           HN       ALA  43 -12.143  -0.839   9.650
  321    HA   ALA  43           HA       ALA  43 -12.203  -3.010   9.006
  322    HB1  ALA  43           HB1      ALA  43 -13.144  -3.965  10.746
  323    HB2  ALA  43           HB2      ALA  43 -14.717  -3.827   9.959
  324    HB3  ALA  43           HB3      ALA  43 -14.147  -2.541  11.025
  325    H    GLY  44           HN       GLY  44 -12.652  -1.928   6.677
  326    HA2  GLY  44           HA2      GLY  44 -13.250  -3.223   4.786
  327    HA3  GLY  44           HA1      GLY  44 -14.734  -3.723   5.651
  328    H    TYR  45           HN       TYR  45 -13.589  -0.393   5.237
  329    HA   TYR  45           HA       TYR  45 -15.865   0.036   3.428
  330    HB2  TYR  45           HB2      TYR  45 -14.598   1.965   5.393
  331    HB3  TYR  45           HB1      TYR  45 -15.762   2.443   4.140
  332    HD1  TYR  45           HD1      TYR  45 -15.751  -0.516   6.445
  333    HD2  TYR  45           HD2      TYR  45 -17.718   3.094   5.322
  334    HE1  TYR  45           HE1      TYR  45 -17.575  -1.023   7.999
  335    HE2  TYR  45           HE2      TYR  45 -19.540   2.581   6.872
  336    HH   TYR  45           HH       TYR  45 -19.557   0.935   9.222
  337    H    GLY  46           HN       GLY  46 -15.499   1.480   1.647
  338    HA2  GLY  46           HA2      GLY  46 -12.743   1.353   0.671
  339    HA3  GLY  46           HA1      GLY  46 -14.167   1.779  -0.271
  340    H    ILE  47           HN       ILE  47 -13.028   3.616  -1.102
  341    HA   ILE  47           HA       ILE  47 -11.721   5.582   0.395
  342    HB   ILE  47           HB       ILE  47 -13.498   6.363  -1.844
  343   HG12  ILE  47          HG12      ILE  47 -11.483   5.821  -3.372
  344   HG13  ILE  47          HG11      ILE  47 -11.168   4.603  -2.125
  345   HG21  ILE  47          HG21      ILE  47 -12.073   8.107  -2.213
  346   HG22  ILE  47          HG22      ILE  47 -10.672   7.215  -1.619
  347   HG23  ILE  47          HG23      ILE  47 -11.854   7.863  -0.480
  348   HD11  ILE  47          HD11      ILE  47 -13.122   4.602  -4.234
  349   HD12  ILE  47          HD12      ILE  47 -13.877   4.379  -2.653
  350   HD13  ILE  47          HD13      ILE  47 -12.594   3.289  -3.179
  351    H    SER  48           HN       SER  48 -14.904   5.479  -0.933
  352    HA   SER  48           HA       SER  48 -16.533   6.190   1.158
  353    HB2  SER  48           HB2      SER  48 -15.178   8.333   1.178
  354    HB3  SER  48           HB1      SER  48 -15.781   8.652  -0.463
  355    HG   SER  48           HG       SER  48 -17.063   8.859   1.987
  356    H    TYR  49           HN       TYR  49 -15.964   7.517  -2.031
  357    HA   TYR  49           HA       TYR  49 -17.496   5.636  -3.383
  358    HB2  TYR  49           HB2      TYR  49 -19.091   7.433  -4.402
  359    HB3  TYR  49           HB1      TYR  49 -19.531   6.597  -2.910
  360    HD1  TYR  49           HD1      TYR  49 -17.338   9.583  -3.632
  361    HD2  TYR  49           HD2      TYR  49 -20.742   8.087  -1.525
  362    HE1  TYR  49           HE1      TYR  49 -17.615  11.750  -2.519
  363    HE2  TYR  49           HE2      TYR  49 -21.008  10.248  -0.422
  364    HH   TYR  49           HH       TYR  49 -19.424  12.231   0.170
  365    H    GLU  50           HN       GLU  50 -15.286   5.729  -4.170
  366    HA   GLU  50           HA       GLU  50 -15.020   7.691  -6.330
  367    HB2  GLU  50           HB2      GLU  50 -12.910   6.972  -4.310
  368    HB3  GLU  50           HB1      GLU  50 -12.591   7.871  -5.782
  369    HG2  GLU  50           HG2      GLU  50 -14.398   8.742  -3.542
  370    HG3  GLU  50           HG1      GLU  50 -12.755   9.299  -3.850
  371    H    ASP  51           HN       ASP  51 -12.406   6.929  -7.020
  372    HA   ASP  51           HA       ASP  51 -12.242   4.091  -7.345
  373    HB2  ASP  51           HB2      ASP  51 -13.604   4.344  -9.225
  374    HB3  ASP  51           HB1      ASP  51 -12.793   5.835  -9.738
  375    H    LYS  52           HN       LYS  52 -10.246   3.511  -7.094
  376    HA   LYS  52           HA       LYS  52  -8.094   5.190  -8.066
  377    HB2  LYS  52           HB2      LYS  52  -8.240   4.214  -5.243
  378    HB3  LYS  52           HB1      LYS  52  -6.786   4.837  -5.994
  379    HG2  LYS  52           HG2      LYS  52  -7.568   6.630  -4.779
  380    HG3  LYS  52           HG1      LYS  52  -8.156   6.966  -6.406
  381    HD2  LYS  52           HD2      LYS  52 -10.367   6.013  -5.753
  382    HD3  LYS  52           HD1      LYS  52  -9.736   5.815  -4.108
  383    HE2  LYS  52           HE2      LYS  52 -10.034   8.412  -5.616
  384    HE3  LYS  52           HE1      LYS  52 -10.986   7.879  -4.230
  385    HZ1  LYS  52           HZ1      LYS  52  -8.557   7.735  -3.181
  386    HZ2  LYS  52           HZ2      LYS  52  -9.481   9.165  -3.154
  387    HZ3  LYS  52           HZ3      LYS  52  -8.276   8.959  -4.331
  388    H    ASN  53           HN       ASN  53  -6.824   3.943  -9.251
  389    HA   ASN  53           HA       ASN  53  -6.758   1.072  -8.684
  390    HB2  ASN  53           HB2      ASN  53  -5.750   2.660 -11.054
  391    HB3  ASN  53           HB1      ASN  53  -5.460   0.923 -10.833
  392   HD21  ASN  53          HD21      ASN  53  -8.433   1.651  -9.512
  393   HD22  ASN  53          HD22      ASN  53  -9.408   1.188 -10.878
  394    H    TRP  54           HN       TRP  54  -5.081   0.168  -7.695
  395    HA   TRP  54           HA       TRP  54  -2.893   2.004  -7.081
  396    HB2  TRP  54           HB2      TRP  54  -4.575   0.387  -5.416
  397    HB3  TRP  54           HB1      TRP  54  -2.862  -0.090  -5.219
  398    HD1  TRP  54           HD1      TRP  54  -5.021   3.155  -5.054
  399    HE1  TRP  54           HE1      TRP  54  -3.747   4.808  -3.531
  400    HE3  TRP  54           HE3      TRP  54  -0.912   0.343  -4.153
  401    HZ2  TRP  54           HZ2      TRP  54  -1.226   4.880  -2.196
  402    HZ3  TRP  54           HZ3      TRP  54   0.867   1.258  -2.770
  403    HH2  TRP  54           HH2      TRP  54   0.706   3.474  -1.800
  404    H    GLY  55           HN       GLY  55  -0.789   1.263  -6.721
  405    HA2  GLY  55           HA2      GLY  55  -0.254  -1.342  -7.939
  406    HA3  GLY  55           HA1      GLY  55   0.637   0.094  -8.466
  407    H    ILE  56           HN       ILE  56   1.686  -2.260  -7.536
  408    HA   ILE  56           HA       ILE  56   3.442  -1.312  -5.379
  409    HB   ILE  56           HB       ILE  56   2.136  -4.068  -5.319
  410   HG12  ILE  56          HG12      ILE  56   1.717  -1.742  -3.416
  411   HG13  ILE  56          HG11      ILE  56   0.557  -2.258  -4.664
  412   HG21  ILE  56          HG21      ILE  56   4.250  -4.321  -4.393
  413   HG22  ILE  56          HG22      ILE  56   3.229  -4.018  -2.987
  414   HG23  ILE  56          HG23      ILE  56   4.225  -2.723  -3.649
  415   HD11  ILE  56          HD11      ILE  56   0.756  -4.561  -3.452
  416   HD12  ILE  56          HD12      ILE  56  -0.286  -3.290  -2.808
  417   HD13  ILE  56          HD13      ILE  56   1.305  -3.570  -2.098
  418    H    PHE  57           HN       PHE  57   5.266  -1.333  -6.533
  419    HA   PHE  57           HA       PHE  57   5.754  -3.547  -8.442
  420    HB2  PHE  57           HB2      PHE  57   6.846  -0.711  -8.498
  421    HB3  PHE  57           HB1      PHE  57   7.045  -1.942  -9.753
  422    HD1  PHE  57           HD1      PHE  57   3.723  -2.462  -9.037
  423    HD2  PHE  57           HD2      PHE  57   6.238   0.620 -10.572
  424    HE1  PHE  57           HE1      PHE  57   1.839  -1.537 -10.237
  425    HE2  PHE  57           HE2      PHE  57   4.303   1.585 -11.742
  426    HZ   PHE  57           HZ       PHE  57   2.088   0.515 -11.549
  427    H    VAL  58           HN       VAL  58   7.086  -4.965  -7.634
  428    HA   VAL  58           HA       VAL  58   9.451  -4.047  -6.161
  429    HB   VAL  58           HB       VAL  58   8.261  -6.806  -6.448
  430   HG11  VAL  58          HG11      VAL  58  10.067  -7.660  -5.099
  431   HG12  VAL  58          HG12      VAL  58  10.798  -6.056  -5.005
  432   HG13  VAL  58          HG13      VAL  58  10.733  -6.908  -6.549
  433   HG21  VAL  58          HG21      VAL  58   7.601  -6.623  -4.266
  434   HG22  VAL  58          HG22      VAL  58   7.496  -4.930  -4.751
  435   HG23  VAL  58          HG23      VAL  58   8.908  -5.506  -3.859
  436    H    ASN  59           HN       ASN  59  11.196  -3.700  -7.283
  437    HA   ASN  59           HA       ASN  59  12.840  -3.809  -8.838
  438    HB2  ASN  59           HB2      ASN  59  11.839  -6.651  -9.158
  439    HB3  ASN  59           HB1      ASN  59  13.312  -6.015  -9.925
  440   HD21  ASN  59          HD21      ASN  59  13.116  -4.451  -7.070
  441   HD22  ASN  59          HD22      ASN  59  14.058  -5.510  -6.084
  442    H    GLY  60           HN       GLY  60  10.538  -2.575  -9.641
  443    HA2  GLY  60           HA2      GLY  60  10.087  -1.519 -11.674
  444    HA3  GLY  60           HA1      GLY  60  10.918  -2.857 -12.490
  445    H    GLU  61           HN       GLU  61   9.356  -4.920 -11.306
  446    HA   GLU  61           HA       GLU  61   7.131  -4.706 -13.148
  447    HB2  GLU  61           HB2      GLU  61   6.839  -7.113 -12.799
  448    HB3  GLU  61           HB1      GLU  61   8.493  -6.712 -13.250
  449    HG2  GLU  61           HG2      GLU  61   9.203  -6.945 -10.941
  450    HG3  GLU  61           HG1      GLU  61   7.536  -7.280 -10.449
  451    H    LYS  62           HN       LYS  62   4.987  -5.354 -12.631
  452    HA   LYS  62           HA       LYS  62   4.150  -4.286 -10.080
  453    HB2  LYS  62           HB2      LYS  62   2.994  -3.630 -12.147
  454    HB3  LYS  62           HB1      LYS  62   2.559  -5.328 -12.439
  455    HG2  LYS  62           HG2      LYS  62   1.168  -5.334 -10.447
  456    HG3  LYS  62           HG1      LYS  62   1.642  -3.652 -10.097
  457    HD2  LYS  62           HD2      LYS  62  -0.531  -3.638 -11.121
  458    HD3  LYS  62           HD1      LYS  62   0.628  -2.983 -12.274
  459    HE2  LYS  62           HE2      LYS  62  -0.387  -5.826 -12.289
  460    HE3  LYS  62           HE1      LYS  62  -1.065  -4.525 -13.262
  461    HZ1  LYS  62           HZ1      LYS  62   1.637  -4.499 -13.799
  462    HZ2  LYS  62           HZ2      LYS  62   0.401  -5.081 -14.804
  463    HZ3  LYS  62           HZ3      LYS  62   1.222  -6.148 -13.764
  464    H    VAL  63           HN       VAL  63   3.668  -5.484  -8.332
  465    HA   VAL  63           HA       VAL  63   3.484  -8.380  -8.708
  466    HB   VAL  63           HB       VAL  63   4.110  -8.629  -6.420
  467   HG11  VAL  63          HG11      VAL  63   6.385  -7.358  -6.585
  468   HG12  VAL  63          HG12      VAL  63   5.812  -6.970  -8.208
  469   HG13  VAL  63          HG13      VAL  63   5.999  -8.654  -7.718
  470   HG21  VAL  63          HG21      VAL  63   3.281  -6.876  -5.173
  471   HG22  VAL  63          HG22      VAL  63   3.834  -5.661  -6.326
  472   HG23  VAL  63          HG23      VAL  63   4.993  -6.463  -5.266
  473    H    TYR  64           HN       TYR  64   1.679  -5.645  -7.422
  474    HA   TYR  64           HA       TYR  64  -0.663  -7.336  -7.298
  475    HB2  TYR  64           HB2      TYR  64   0.331  -7.605  -5.043
  476    HB3  TYR  64           HB1      TYR  64   0.225  -5.844  -4.822
  477    HD1  TYR  64           HD1      TYR  64  -1.379  -5.497  -3.142
  478    HD2  TYR  64           HD2      TYR  64  -2.234  -8.277  -6.251
  479    HE1  TYR  64           HE1      TYR  64  -3.659  -5.753  -2.285
  480    HE2  TYR  64           HE2      TYR  64  -4.522  -8.534  -5.393
  481    HH   TYR  64           HH       TYR  64  -5.522  -7.936  -2.585
  482    H    THR  65           HN       THR  65  -2.603  -6.229  -7.405
  483    HA   THR  65           HA       THR  65  -2.527  -3.319  -7.506
  484    HB   THR  65           HB       THR  65  -3.883  -5.041  -9.471
  485    HG1  THR  65           HG1      THR  65  -1.771  -3.213  -9.824
  486   HG21  THR  65          HG21      THR  65  -4.289  -2.852 -10.693
  487   HG22  THR  65          HG22      THR  65  -3.971  -2.078  -9.140
  488   HG23  THR  65          HG23      THR  65  -5.320  -3.203  -9.305
  489    H    PHE  66           HN       PHE  66  -4.038  -2.438  -6.227
  490    HA   PHE  66           HA       PHE  66  -6.526  -3.953  -5.792
  491    HB2  PHE  66           HB2      PHE  66  -6.625  -3.306  -3.452
  492    HB3  PHE  66           HB1      PHE  66  -5.199  -4.333  -3.797
  493    HD1  PHE  66           HD1      PHE  66  -3.090  -3.644  -3.098
  494    HD2  PHE  66           HD2      PHE  66  -6.231  -0.773  -3.273
  495    HE1  PHE  66           HE1      PHE  66  -1.666  -2.018  -1.921
  496    HE2  PHE  66           HE2      PHE  66  -4.806   0.860  -2.111
  497    HZ   PHE  66           HZ       PHE  66  -2.513   0.249  -1.432
  498    H    ASN  67           HN       ASN  67  -8.338  -2.624  -5.275
  499    HA   ASN  67           HA       ASN  67  -7.942   0.131  -6.245
  500    HB2  ASN  67           HB2      ASN  67 -10.397  -1.629  -6.542
  501    HB3  ASN  67           HB1      ASN  67 -10.203   0.010  -7.181
  502   HD21  ASN  67          HD21      ASN  67 -10.202  -3.108  -8.038
  503   HD22  ASN  67          HD22      ASN  67  -9.150  -3.053  -9.407
  504    H    GLU  68           HN       GLU  68  -8.835   1.774  -5.062
  505    HA   GLU  68           HA       GLU  68  -9.494   1.349  -2.358
  506    HB2  GLU  68           HB2      GLU  68  -9.999   3.674  -4.171
  507    HB3  GLU  68           HB1      GLU  68 -10.309   3.739  -2.448
  508    HG2  GLU  68           HG2      GLU  68  -7.610   3.015  -3.573
  509    HG3  GLU  68           HG1      GLU  68  -8.110   4.713  -3.346
  510    H    LYS  69           HN       LYS  69 -11.351   1.220  -5.216
  511    HA   LYS  69           HA       LYS  69 -13.955   1.634  -4.159
  512    HB2  LYS  69           HB2      LYS  69 -13.121  -0.178  -6.419
  513    HB3  LYS  69           HB1      LYS  69 -14.724   0.550  -6.172
  514    HG2  LYS  69           HG2      LYS  69 -13.748   2.780  -6.505
  515    HG3  LYS  69           HG1      LYS  69 -12.167   2.013  -6.815
  516    HD2  LYS  69           HD2      LYS  69 -14.696   1.562  -8.416
  517    HD3  LYS  69           HD1      LYS  69 -13.331   2.569  -8.909
  518    HE2  LYS  69           HE2      LYS  69 -11.873   0.574  -8.822
  519    HE3  LYS  69           HE1      LYS  69 -13.278  -0.411  -8.416
  520    HZ1  LYS  69           HZ1      LYS  69 -13.134   1.221 -10.881
  521    HZ2  LYS  69           HZ2      LYS  69 -14.220  -0.034 -10.524
  522    HZ3  LYS  69           HZ3      LYS  69 -12.578  -0.381 -10.817
  523    H    SER  70           HN       SER  70 -11.776  -1.042  -4.566
  524    HA   SER  70           HA       SER  70 -13.390  -3.013  -3.310
  525    HB2  SER  70           HB2      SER  70 -11.384  -3.594  -4.717
  526    HB3  SER  70           HB1      SER  70 -10.368  -2.886  -3.424
  527    HG   SER  70           HG       SER  70 -10.504  -5.091  -3.073
  528    H    THR  71           HN       THR  71 -13.919  -2.946  -1.209
  529    HA   THR  71           HA       THR  71 -13.254  -0.882   0.488
  530    HB   THR  71           HB       THR  71 -13.996  -2.360   2.301
  531    HG1  THR  71           HG1      THR  71 -14.744  -4.455   1.721
  532   HG21  THR  71          HG21      THR  71 -15.512  -1.342   0.275
  533   HG22  THR  71          HG22      THR  71 -16.138  -2.053   1.764
  534   HG23  THR  71          HG23      THR  71 -16.003  -3.037   0.307
  535    H    VAL  72           HN       VAL  72 -11.320  -0.322   1.387
  536    HA   VAL  72           HA       VAL  72  -9.053  -1.728   1.073
  537    HB   VAL  72           HB       VAL  72  -8.588  -0.125   3.380
  538   HG11  VAL  72          HG11      VAL  72  -6.850   0.472   2.085
  539   HG12  VAL  72          HG12      VAL  72  -7.890   0.976   0.752
  540   HG13  VAL  72          HG13      VAL  72  -7.448  -0.722   0.934
  541   HG21  VAL  72          HG21      VAL  72  -9.441   2.006   2.722
  542   HG22  VAL  72          HG22      VAL  72 -10.826   0.925   2.592
  543   HG23  VAL  72          HG23      VAL  72  -9.946   1.424   1.128
  544    H    GLY  73           HN       GLY  73 -11.475  -2.404   3.177
  545    HA2  GLY  73           HA2      GLY  73 -10.087  -3.774   5.259
  546    HA3  GLY  73           HA1      GLY  73 -11.764  -3.947   4.786
  547    H    ASN  74           HN       ASN  74 -12.061  -5.030   2.563
  548    HA   ASN  74           HA       ASN  74 -10.984  -7.647   2.817
  549    HB2  ASN  74           HB2      ASN  74 -12.487  -6.382   0.521
  550    HB3  ASN  74           HB1      ASN  74 -12.026  -8.091   0.584
  551   HD21  ASN  74          HD21      ASN  74 -14.525  -6.120   0.995
  552   HD22  ASN  74          HD22      ASN  74 -15.423  -6.990   2.203
  553    H    ILE  75           HN       ILE  75  -9.774  -4.834   1.362
  554    HA   ILE  75           HA       ILE  75  -7.984  -6.127  -0.517
  555    HB   ILE  75           HB       ILE  75  -7.751  -3.462   0.827
  556   HG12  ILE  75          HG12      ILE  75  -8.709  -4.070  -2.011
  557   HG13  ILE  75          HG11      ILE  75  -9.738  -3.569  -0.635
  558   HG21  ILE  75          HG21      ILE  75  -5.592  -4.103   0.158
  559   HG22  ILE  75          HG22      ILE  75  -6.167  -2.952  -1.045
  560   HG23  ILE  75          HG23      ILE  75  -6.175  -4.680  -1.403
  561   HD11  ILE  75          HD11      ILE  75  -7.622  -1.698  -0.877
  562   HD12  ILE  75          HD12      ILE  75  -9.351  -1.461  -1.133
  563   HD13  ILE  75          HD13      ILE  75  -8.322  -1.955  -2.475
  564    H    SER  76           HN       SER  76  -7.824  -5.000   2.840
  565    HA   SER  76           HA       SER  76  -5.086  -5.754   3.146
  566    HB2  SER  76           HB2      SER  76  -5.962  -3.997   4.541
  567    HB3  SER  76           HB1      SER  76  -7.204  -5.073   5.201
  568    HG   SER  76           HG       SER  76  -5.735  -6.023   6.443
  569    H    ASN  77           HN       ASN  77  -8.104  -7.398   3.455
  570    HA   ASN  77           HA       ASN  77  -7.156  -9.683   4.870
  571    HB2  ASN  77           HB2      ASN  77  -9.361  -9.374   2.819
  572    HB3  ASN  77           HB1      ASN  77  -8.982 -10.907   3.608
  573   HD21  ASN  77          HD21      ASN  77 -10.242 -11.366   5.227
  574   HD22  ASN  77          HD22      ASN  77 -11.015 -10.230   6.286
  575    H    ASP  78           HN       ASP  78  -6.699  -8.372   1.726
  576    HA   ASP  78           HA       ASP  78  -5.498 -10.812   0.663
  577    HB2  ASP  78           HB2      ASP  78  -6.074  -8.093  -0.527
  578    HB3  ASP  78           HB1      ASP  78  -5.111  -9.311  -1.385
  579    H    ILE  79           HN       ILE  79  -4.534  -7.569   1.694
  580    HA   ILE  79           HA       ILE  79  -1.954  -7.709   0.641
  581    HB   ILE  79           HB       ILE  79  -2.749  -6.105   3.109
  582   HG12  ILE  79          HG12      ILE  79  -2.941  -5.387   0.171
  583   HG13  ILE  79          HG11      ILE  79  -4.321  -5.795   1.214
  584   HG21  ILE  79          HG21      ILE  79  -0.886  -4.828   2.757
  585   HG22  ILE  79          HG22      ILE  79  -0.862  -5.139   1.023
  586   HG23  ILE  79          HG23      ILE  79  -0.282  -6.368   2.145
  587   HD11  ILE  79          HD11      ILE  79  -3.465  -3.294   0.694
  588   HD12  ILE  79          HD12      ILE  79  -2.585  -3.636   2.185
  589   HD13  ILE  79          HD13      ILE  79  -4.345  -3.761   2.149
  590    H    ASN  80           HN       ASN  80  -3.268  -9.104   3.495
  591    HA   ASN  80           HA       ASN  80  -0.805  -9.533   4.841
  592    HB2  ASN  80           HB2      ASN  80  -3.551 -10.713   5.148
  593    HB3  ASN  80           HB1      ASN  80  -2.187 -11.242   6.114
  594   HD21  ASN  80          HD21      ASN  80  -4.775  -9.297   6.150
  595   HD22  ASN  80          HD22      ASN  80  -4.232  -8.081   7.268
  596    H    LYS  81           HN       LYS  81  -2.439 -11.218   2.240
  597    HA   LYS  81           HA       LYS  81  -0.657 -13.480   2.608
  598    HB2  LYS  81           HB2      LYS  81  -1.770 -14.388   0.511
  599    HB3  LYS  81           HB1      LYS  81  -2.724 -14.311   1.979
  600    HG2  LYS  81           HG2      LYS  81  -2.904 -12.003   0.161
  601    HG3  LYS  81           HG1      LYS  81  -3.657 -13.530  -0.362
  602    HD2  LYS  81           HD2      LYS  81  -4.123 -12.084   2.241
  603    HD3  LYS  81           HD1      LYS  81  -5.237 -12.144   0.875
  604    HE2  LYS  81           HE2      LYS  81  -4.320 -14.505   2.519
  605    HE3  LYS  81           HE1      LYS  81  -5.884 -13.704   2.651
  606    HZ1  LYS  81           HZ1      LYS  81  -6.138 -14.281   0.194
  607    HZ2  LYS  81           HZ2      LYS  81  -6.289 -15.546   1.319
  608    HZ3  LYS  81           HZ3      LYS  81  -4.849 -15.369   0.432
  609    H    LEU  82           HN       LEU  82  -1.298 -10.955   0.177
  610    HA   LEU  82           HA       LEU  82   0.563 -11.622  -1.718
  611    HB2  LEU  82           HB2      LEU  82  -0.571  -9.050  -0.772
  612    HB3  LEU  82           HB1      LEU  82   0.700  -9.062  -2.010
  613    HG   LEU  82           HG       LEU  82  -1.602  -8.986  -2.898
  614   HD11  LEU  82          HD11      LEU  82  -0.394 -11.558  -3.763
  615   HD12  LEU  82          HD12      LEU  82   0.466 -10.041  -4.027
  616   HD13  LEU  82          HD13      LEU  82  -1.127 -10.289  -4.743
  617   HD21  LEU  82          HD21      LEU  82  -1.837 -11.766  -1.836
  618   HD22  LEU  82          HD22      LEU  82  -2.946 -11.020  -2.984
  619   HD23  LEU  82          HD23      LEU  82  -2.798 -10.368  -1.352
  620    H    ASN  83           HN       ASN  83   1.133 -10.331   1.442
  621    HA   ASN  83           HA       ASN  83   3.014  -9.735   2.603
  622    HB2  ASN  83           HB2      ASN  83   3.288 -12.195   2.209
  623    HB3  ASN  83           HB1      ASN  83   4.281 -11.814   0.801
  624   HD21  ASN  83          HD21      ASN  83   4.811  -9.515   3.173
  625   HD22  ASN  83          HD22      ASN  83   6.239 -10.207   3.883
  626    H    ILE  84           HN       ILE  84   2.876  -7.645   1.350
  627    HA   ILE  84           HA       ILE  84   4.707  -7.224  -0.775
  628    HB   ILE  84           HB       ILE  84   3.238  -5.218   0.913
  629   HG12  ILE  84          HG12      ILE  84   1.919  -4.872  -1.203
  630   HG13  ILE  84          HG11      ILE  84   2.749  -6.292  -1.877
  631   HG21  ILE  84          HG21      ILE  84   5.353  -4.346  -0.054
  632   HG22  ILE  84          HG22      ILE  84   3.900  -3.526  -0.627
  633   HG23  ILE  84          HG23      ILE  84   4.707  -4.709  -1.656
  634   HD11  ILE  84          HD11      ILE  84   1.673  -7.738  -0.372
  635   HD12  ILE  84          HD12      ILE  84   0.424  -6.639  -0.960
  636   HD13  ILE  84          HD13      ILE  84   1.119  -6.406   0.644
  637    H    LYS  85           HN       LYS  85   6.823  -7.382  -0.454
  638    HA   LYS  85           HA       LYS  85   8.028  -5.579   1.423
  639    HB2  LYS  85           HB2      LYS  85   9.557  -7.493   2.285
  640    HB3  LYS  85           HB1      LYS  85   7.998  -7.196   3.020
  641    HG2  LYS  85           HG2      LYS  85   8.331  -9.544   2.849
  642    HG3  LYS  85           HG1      LYS  85   7.061  -9.084   1.726
  643    HD2  LYS  85           HD2      LYS  85   9.908  -9.426   0.822
  644    HD3  LYS  85           HD1      LYS  85   8.830 -10.809   0.988
  645    HE2  LYS  85           HE2      LYS  85   7.259  -9.725  -0.582
  646    HE3  LYS  85           HE1      LYS  85   8.411  -8.403  -0.784
  647    HZ1  LYS  85           HZ1      LYS  85   8.364 -10.947  -2.050
  648    HZ2  LYS  85           HZ2      LYS  85   9.841 -10.724  -1.236
  649    HZ3  LYS  85           HZ3      LYS  85   9.332  -9.594  -2.395
  650    H    GLY  86           HN       GLY  86  10.545  -6.016   1.400
  651    HA2  GLY  86           HA2      GLY  86  11.377  -4.994  -1.022
  652    HA3  GLY  86           HA1      GLY  86  12.450  -5.680   0.199
  653    HA   PRO  87           HA       PRO  87  13.536  -4.868  -1.522
  654    HB2  PRO  87           HB2      PRO  87  15.139  -4.829  -3.606
  655    HB3  PRO  87           HB1      PRO  87  15.423  -5.932  -2.263
  656    HG2  PRO  87           HG2      PRO  87  14.294  -6.477  -4.965
  657    HG3  PRO  87           HG1      PRO  87  15.374  -7.482  -3.982
  658    HD2  PRO  87           HD2      PRO  87  12.553  -7.742  -4.167
  659    HD3  PRO  87           HD1      PRO  87  13.627  -8.528  -2.966
  660    H    TYR  88           HN       TYR  88  13.931  -2.927  -3.017
  661    HA   TYR  88           HA       TYR  88  12.752  -1.121  -3.837
  662    HB2  TYR  88           HB2      TYR  88  12.899  -2.970  -6.233
  663    HB3  TYR  88           HB1      TYR  88  12.535  -1.215  -6.310
  664    HD1  TYR  88           HD1      TYR  88  15.137  -3.555  -4.987
  665    HD2  TYR  88           HD2      TYR  88  14.273   0.232  -6.694
  666    HE1  TYR  88           HE1      TYR  88  17.544  -3.054  -5.057
  667    HE2  TYR  88           HE2      TYR  88  16.677   0.748  -6.784
  668    HH   TYR  88           HH       TYR  88  18.912  -0.873  -6.885
  669    H    ILE  89           HN       ILE  89  10.794  -0.926  -2.829
  670    HA   ILE  89           HA       ILE  89   8.534  -2.287  -4.140
  671    HB   ILE  89           HB       ILE  89   8.461  -1.013  -1.404
  672   HG12  ILE  89          HG12      ILE  89   8.519  -3.612  -0.768
  673   HG13  ILE  89          HG11      ILE  89   9.369  -3.696  -2.337
  674   HG21  ILE  89          HG21      ILE  89   6.376  -1.896  -1.207
  675   HG22  ILE  89          HG22      ILE  89   6.756  -3.300  -2.203
  676   HG23  ILE  89          HG23      ILE  89   6.413  -1.746  -2.963
  677   HD11  ILE  89          HD11      ILE  89  10.374  -1.604  -0.561
  678   HD12  ILE  89          HD12      ILE  89  11.242  -2.820  -1.493
  679   HD13  ILE  89          HD13      ILE  89  10.556  -3.235   0.081
  680    H    GLU  90           HN       GLU  90   7.410  -1.151  -5.398
  681    HA   GLU  90           HA       GLU  90   7.210   1.752  -4.954
  682    HB2  GLU  90           HB2      GLU  90   7.971   1.123  -7.205
  683    HB3  GLU  90           HB1      GLU  90   6.490   0.167  -7.434
  684    HG2  GLU  90           HG2      GLU  90   6.317   2.289  -8.575
  685    HG3  GLU  90           HG1      GLU  90   5.157   2.211  -7.251
  686    H    ILE  91           HN       ILE  91   5.766   1.633  -3.319
  687    HA   ILE  91           HA       ILE  91   3.103   0.594  -3.847
  688    HB   ILE  91           HB       ILE  91   4.471   1.502  -1.323
  689   HG12  ILE  91          HG12      ILE  91   3.468  -1.163  -2.284
  690   HG13  ILE  91          HG11      ILE  91   5.130  -0.700  -1.919
  691   HG21  ILE  91          HG21      ILE  91   2.008   2.098  -1.448
  692   HG22  ILE  91          HG22      ILE  91   2.578   1.200  -0.047
  693   HG23  ILE  91          HG23      ILE  91   1.722   0.361  -1.338
  694   HD11  ILE  91          HD11      ILE  91   4.472  -0.416   0.452
  695   HD12  ILE  91          HD12      ILE  91   4.287  -2.067  -0.141
  696   HD13  ILE  91          HD13      ILE  91   2.868  -1.027   0.038
  697    H    LYS  92           HN       LYS  92   2.040   2.060  -5.058
  698    HA   LYS  92           HA       LYS  92   1.288   4.575  -3.926
  699    HB2  LYS  92           HB2      LYS  92   2.094   5.968  -5.815
  700    HB3  LYS  92           HB1      LYS  92   3.394   5.319  -4.815
  701    HG2  LYS  92           HG2      LYS  92   3.964   5.267  -7.182
  702    HG3  LYS  92           HG1      LYS  92   3.877   3.635  -6.518
  703    HD2  LYS  92           HD2      LYS  92   1.803   3.223  -7.556
  704    HD3  LYS  92           HD1      LYS  92   1.572   4.927  -7.932
  705    HE2  LYS  92           HE2      LYS  92   3.616   3.054  -9.139
  706    HE3  LYS  92           HE1      LYS  92   2.137   3.646  -9.927
  707    HZ1  LYS  92           HZ1      LYS  92   3.097   5.610 -10.398
  708    HZ2  LYS  92           HZ2      LYS  92   4.564   4.779 -10.186
  709    HZ3  LYS  92           HZ3      LYS  92   3.928   5.710  -8.920
  710    H    GLN  93           HN       GLN  93  -0.224   5.784  -5.478
  711    HA   GLN  93           HA       GLN  93  -1.783   3.744  -6.865
  712    HB2  GLN  93           HB2      GLN  93  -3.586   5.288  -7.030
  713    HB3  GLN  93           HB1      GLN  93  -3.058   5.148  -5.349
  714    HG2  GLN  93           HG2      GLN  93  -1.851   7.242  -5.539
  715    HG3  GLN  93           HG1      GLN  93  -2.321   7.354  -7.233
  716   HE21  GLN  93          HE21      GLN  93  -2.988   8.542  -4.300
  717   HE22  GLN  93          HE22      GLN  93  -4.661   8.936  -4.495
  718    H    ILE  94           HN       ILE  94  -2.739   4.234  -8.893
  719    HA   ILE  94           HA       ILE  94  -0.912   5.723 -10.652
  720    HB   ILE  94           HB       ILE  94  -1.292   3.817 -12.231
  721   HG12  ILE  94          HG12      ILE  94  -2.404   2.641  -9.682
  722   HG13  ILE  94          HG11      ILE  94  -3.196   2.806 -11.242
  723   HG21  ILE  94          HG21      ILE  94   0.526   4.128 -10.112
  724   HG22  ILE  94          HG22      ILE  94   0.755   3.233 -11.616
  725   HG23  ILE  94          HG23      ILE  94   0.115   2.415 -10.190
  726   HD11  ILE  94          HD11      ILE  94  -1.857   0.604 -10.232
  727   HD12  ILE  94          HD12      ILE  94  -0.830   1.243 -11.517
  728   HD13  ILE  94          HD13      ILE  94  -2.508   0.814 -11.858
  Start of MODEL   16
    1    H    ASP   1           HT1      ASP   1  20.557   5.988 -11.124
    2    HA   ASP   1           HA       ASP   1  19.938   7.518  -9.439
    3    HB2  ASP   1           HB2      ASP   1  18.146   6.531 -10.819
    4    HB3  ASP   1           HB1      ASP   1  17.954   5.232  -9.649
    5    H    ASN   2           HN       ASN   2  20.101   8.033  -7.368
    6    HA   ASN   2           HA       ASN   2  20.148   5.858  -5.369
    7    HB2  ASN   2           HB2      ASN   2  22.380   6.885  -5.811
    8    HB3  ASN   2           HB1      ASN   2  21.728   8.448  -5.337
    9   HD21  ASN   2          HD21      ASN   2  22.269   9.019  -3.370
   10   HD22  ASN   2          HD22      ASN   2  22.513   7.961  -2.028
   11    H    GLN   3           HN       GLN   3  18.073   7.833  -6.454
   12    HA   GLN   3           HA       GLN   3  17.458   9.398  -4.075
   13    HB2  GLN   3           HB2      GLN   3  16.093   9.274  -6.769
   14    HB3  GLN   3           HB1      GLN   3  15.688  10.391  -5.474
   15    HG2  GLN   3           HG2      GLN   3  18.326  10.264  -6.916
   16    HG3  GLN   3           HG1      GLN   3  17.044  11.438  -7.209
   17   HE21  GLN   3          HE21      GLN   3  17.303  13.303  -6.252
   18   HE22  GLN   3          HE22      GLN   3  18.191  13.600  -4.798
   19    H    LYS   4           HN       LYS   4  16.461   6.476  -5.631
   20    HA   LYS   4           HA       LYS   4  14.073   6.377  -3.916
   21    HB2  LYS   4           HB2      LYS   4  13.744   6.177  -6.391
   22    HB3  LYS   4           HB1      LYS   4  14.715   4.714  -6.366
   23    HG2  LYS   4           HG2      LYS   4  13.065   3.614  -4.962
   24    HG3  LYS   4           HG1      LYS   4  12.102   5.094  -4.912
   25    HD2  LYS   4           HD2      LYS   4  12.778   3.516  -7.397
   26    HD3  LYS   4           HD1      LYS   4  11.227   3.493  -6.555
   27    HE2  LYS   4           HE2      LYS   4  10.903   5.851  -7.016
   28    HE3  LYS   4           HE1      LYS   4  12.494   5.950  -7.770
   29    HZ1  LYS   4           HZ1      LYS   4  10.541   5.756  -9.318
   30    HZ2  LYS   4           HZ2      LYS   4  10.358   4.152  -8.780
   31    HZ3  LYS   4           HZ3      LYS   4  11.786   4.631  -9.564
   32    H    ALA   5           HN       ALA   5  17.102   5.697  -3.658
   33    HA   ALA   5           HA       ALA   5  17.238   2.936  -3.095
   34    HB1  ALA   5           HB1      ALA   5  19.272   3.875  -1.637
   35    HB2  ALA   5           HB2      ALA   5  18.990   5.281  -2.663
   36    HB3  ALA   5           HB3      ALA   5  19.348   3.715  -3.392
   37    H    LEU   6           HN       LEU   6  17.100   5.776  -0.941
   38    HA   LEU   6           HA       LEU   6  16.023   4.021   1.172
   39    HB2  LEU   6           HB2      LEU   6  17.423   6.685   1.430
   40    HB3  LEU   6           HB1      LEU   6  16.769   5.752   2.764
   41    HG   LEU   6           HG       LEU   6  19.029   4.881   0.953
   42   HD11  LEU   6          HD11      LEU   6  19.626   5.107   3.760
   43   HD12  LEU   6          HD12      LEU   6  19.060   6.644   3.106
   44   HD13  LEU   6          HD13      LEU   6  20.442   5.829   2.373
   45   HD21  LEU   6          HD21      LEU   6  18.547   3.477   3.483
   46   HD22  LEU   6          HD22      LEU   6  18.974   2.844   1.893
   47   HD23  LEU   6          HD23      LEU   6  17.297   3.241   2.262
   48    H    GLU   7           HN       GLU   7  14.725   5.488  -1.118
   49    HA   GLU   7           HA       GLU   7  13.130   7.593  -0.116
   50    HB2  GLU   7           HB2      GLU   7  13.568   7.195  -2.507
   51    HB3  GLU   7           HB1      GLU   7  12.672   5.692  -2.429
   52    HG2  GLU   7           HG2      GLU   7  11.418   8.368  -1.893
   53    HG3  GLU   7           HG1      GLU   7  11.516   7.655  -3.498
   54    H    GLU   8           HN       GLU   8  12.734   4.093  -0.209
   55    HA   GLU   8           HA       GLU   8  10.024   3.965   0.464
   56    HB2  GLU   8           HB2      GLU   8  12.210   1.990   1.145
   57    HB3  GLU   8           HB1      GLU   8  10.485   1.655   1.115
   58    HG2  GLU   8           HG2      GLU   8  10.435   2.083  -1.286
   59    HG3  GLU   8           HG1      GLU   8  12.160   2.443  -1.261
   60    H    GLN   9           HN       GLN   9  12.864   4.552   2.388
   61    HA   GLN   9           HA       GLN   9  11.418   4.063   4.866
   62    HB2  GLN   9           HB2      GLN   9  14.241   5.095   4.606
   63    HB3  GLN   9           HB1      GLN   9  13.513   4.261   5.972
   64    HG2  GLN   9           HG2      GLN   9  14.259   3.098   3.304
   65    HG3  GLN   9           HG1      GLN   9  14.989   2.755   4.870
   66   HE21  GLN   9          HE21      GLN   9  12.894   1.685   2.589
   67   HE22  GLN   9          HE22      GLN   9  11.975   0.564   3.544
   68    H    MET  10           HN       MET  10  11.346   6.567   2.818
   69    HA   MET  10           HA       MET  10  11.687   8.602   4.920
   70    HB2  MET  10           HB2      MET  10  13.004   8.921   2.866
   71    HB3  MET  10           HB1      MET  10  11.523   8.945   1.919
   72    HG2  MET  10           HG2      MET  10  12.378  11.188   2.285
   73    HG3  MET  10           HG1      MET  10  10.807  10.972   3.056
   74    HE1  MET  10           HE1      MET  10  11.196  13.175   4.564
   75    HE2  MET  10           HE2      MET  10  12.715  13.391   3.691
   76    HE3  MET  10           HE3      MET  10  12.692  13.459   5.453
   77    H    ASN  11           HN       ASN  11   9.659   8.636   2.016
   78    HA   ASN  11           HA       ASN  11   7.365   9.376   3.709
   79    HB2  ASN  11           HB2      ASN  11   6.298   9.984   1.485
   80    HB3  ASN  11           HB1      ASN  11   7.573  11.070   2.071
   81   HD21  ASN  11          HD21      ASN  11   6.354   9.692  -0.573
   82   HD22  ASN  11          HD22      ASN  11   7.768   9.558  -1.559
   83    H    SER  12           HN       SER  12   8.495   7.350   1.189
   84    HA   SER  12           HA       SER  12   6.512   6.323  -0.028
   85    HB2  SER  12           HB2      SER  12   8.762   5.496  -0.323
   86    HB3  SER  12           HB1      SER  12   8.710   4.702   1.267
   87    HG   SER  12           HG       SER  12   7.857   3.796  -1.160
   88    H    ILE  13           HN       ILE  13   7.529   4.487   2.796
   89    HA   ILE  13           HA       ILE  13   5.101   2.999   2.825
   90    HB   ILE  13           HB       ILE  13   7.471   3.021   4.692
   91   HG12  ILE  13          HG12      ILE  13   6.818   1.310   2.298
   92   HG13  ILE  13          HG11      ILE  13   8.044   2.600   2.403
   93   HG21  ILE  13          HG21      ILE  13   6.341   0.455   4.609
   94   HG22  ILE  13          HG22      ILE  13   4.980   1.556   4.821
   95   HG23  ILE  13          HG23      ILE  13   6.319   1.578   5.969
   96   HD11  ILE  13          HD11      ILE  13   9.429   1.316   3.763
   97   HD12  ILE  13          HD12      ILE  13   8.791   0.140   2.613
   98   HD13  ILE  13          HD13      ILE  13   8.122   0.233   4.243
   99    H    ASN  14           HN       ASN  14   5.949   5.915   4.127
  100    HA   ASN  14           HA       ASN  14   4.113   5.637   6.407
  101    HB2  ASN  14           HB2      ASN  14   5.904   7.956   5.667
  102    HB3  ASN  14           HB1      ASN  14   4.797   7.924   7.035
  103   HD21  ASN  14          HD21      ASN  14   7.917   7.578   6.213
  104   HD22  ASN  14          HD22      ASN  14   8.450   6.526   7.477
  105    H    SER  15           HN       SER  15   4.590   8.077   3.810
  106    HA   SER  15           HA       SER  15   1.993   9.116   4.152
  107    HB2  SER  15           HB2      SER  15   2.377  10.398   2.115
  108    HB3  SER  15           HB1      SER  15   3.768  10.487   3.201
  109    HG   SER  15           HG       SER  15   4.584   8.630   1.854
  110    H    VAL  16           HN       VAL  16   3.099   6.317   2.562
  111    HA   VAL  16           HA       VAL  16   1.244   5.967   0.492
  112    HB   VAL  16           HB       VAL  16   3.055   4.336   0.918
  113   HG11  VAL  16          HG11      VAL  16   2.834   4.458   3.415
  114   HG12  VAL  16          HG12      VAL  16   3.083   2.852   2.734
  115   HG13  VAL  16          HG13      VAL  16   1.475   3.345   3.261
  116   HG21  VAL  16          HG21      VAL  16   1.790   2.916  -0.236
  117   HG22  VAL  16          HG22      VAL  16   0.318   3.654   0.404
  118   HG23  VAL  16          HG23      VAL  16   1.099   2.341   1.282
  119    H    ASN  17           HN       ASN  17   0.997   5.553   3.967
  120    HA   ASN  17           HA       ASN  17  -1.642   4.468   3.867
  121    HB2  ASN  17           HB2      ASN  17  -0.087   5.602   6.201
  122    HB3  ASN  17           HB1      ASN  17  -1.595   4.693   6.318
  123   HD21  ASN  17          HD21      ASN  17   1.468   4.320   6.936
  124   HD22  ASN  17          HD22      ASN  17   1.727   2.681   6.466
  125    H    ASP  18           HN       ASP  18  -0.254   7.618   3.986
  126    HA   ASP  18           HA       ASP  18  -2.543   9.015   4.953
  127    HB2  ASP  18           HB2      ASP  18  -0.231   9.903   3.208
  128    HB3  ASP  18           HB1      ASP  18  -1.434  11.008   3.834
  129    H    LYS  19           HN       LYS  19  -1.980   7.472   1.909
  130    HA   LYS  19           HA       LYS  19  -4.035   9.137   0.606
  131    HB2  LYS  19           HB2      LYS  19  -2.486   6.795  -0.512
  132    HB3  LYS  19           HB1      LYS  19  -3.751   7.655  -1.369
  133    HG2  LYS  19           HG2      LYS  19  -1.697   8.470  -2.192
  134    HG3  LYS  19           HG1      LYS  19  -2.391   9.748  -1.180
  135    HD2  LYS  19           HD2      LYS  19  -0.103   9.678  -0.646
  136    HD3  LYS  19           HD1      LYS  19  -0.916   8.823   0.666
  137    HE2  LYS  19           HE2      LYS  19   1.044   7.594   0.017
  138    HE3  LYS  19           HE1      LYS  19  -0.403   6.687  -0.420
  139    HZ1  LYS  19           HZ1      LYS  19   1.124   8.395  -2.319
  140    HZ2  LYS  19           HZ2      LYS  19  -0.152   7.339  -2.699
  141    HZ3  LYS  19           HZ3      LYS  19   1.338   6.717  -2.157
  142    H    LEU  20           HN       LEU  20  -3.310   6.037   1.841
  143    HA   LEU  20           HA       LEU  20  -5.612   4.709   0.978
  144    HB2  LEU  20           HB2      LEU  20  -3.774   4.154   3.300
  145    HB3  LEU  20           HB1      LEU  20  -4.857   2.984   2.557
  146    HG   LEU  20           HG       LEU  20  -2.504   4.295   1.185
  147   HD11  LEU  20          HD11      LEU  20  -2.239   2.464   3.083
  148   HD12  LEU  20          HD12      LEU  20  -1.227   2.479   1.637
  149   HD13  LEU  20          HD13      LEU  20  -2.611   1.389   1.734
  150   HD21  LEU  20          HD21      LEU  20  -3.358   3.571  -0.723
  151   HD22  LEU  20          HD22      LEU  20  -4.793   3.005   0.133
  152   HD23  LEU  20          HD23      LEU  20  -3.413   1.927  -0.088
  153    H    ASN  21           HN       ASN  21  -4.629   6.301   3.911
  154    HA   ASN  21           HA       ASN  21  -7.015   5.746   5.382
  155    HB2  ASN  21           HB2      ASN  21  -4.514   7.327   5.869
  156    HB3  ASN  21           HB1      ASN  21  -5.868   7.468   6.984
  157   HD21  ASN  21          HD21      ASN  21  -3.022   6.096   6.696
  158   HD22  ASN  21          HD22      ASN  21  -3.280   4.580   7.516
  159    H    LYS  22           HN       LYS  22  -8.809   6.763   4.329
  160    HA   LYS  22           HA       LYS  22  -8.529   9.698   4.223
  161    HB2  LYS  22           HB2      LYS  22 -10.041   7.961   2.278
  162    HB3  LYS  22           HB1      LYS  22 -10.031   9.732   2.271
  163    HG2  LYS  22           HG2      LYS  22  -7.580   9.680   1.980
  164    HG3  LYS  22           HG1      LYS  22  -7.649   7.921   1.893
  165    HD2  LYS  22           HD2      LYS  22  -7.523   8.815  -0.329
  166    HD3  LYS  22           HD1      LYS  22  -9.125   8.118  -0.074
  167    HE2  LYS  22           HE2      LYS  22 -10.071  10.317   0.273
  168    HE3  LYS  22           HE1      LYS  22  -8.473  11.055   0.192
  169    HZ1  LYS  22           HZ1      LYS  22 -10.213  10.182  -1.956
  170    HZ2  LYS  22           HZ2      LYS  22  -8.578   9.763  -2.155
  171    HZ3  LYS  22           HZ3      LYS  22  -9.018  11.388  -1.937
  172    H    GLY  23           HN       GLY  23 -10.947   7.115   4.761
  173    HA2  GLY  23           HA2      GLY  23 -12.196   8.528   6.797
  174    HA3  GLY  23           HA1      GLY  23 -13.059   8.857   5.286
  175    H    LYS  24           HN       LYS  24 -14.302   7.251   4.350
  176    HA   LYS  24           HA       LYS  24 -15.601   5.434   6.006
  177    HB2  LYS  24           HB2      LYS  24 -16.411   6.271   3.806
  178    HB3  LYS  24           HB1      LYS  24 -15.241   5.187   3.008
  179    HG2  LYS  24           HG2      LYS  24 -16.391   3.322   3.520
  180    HG3  LYS  24           HG1      LYS  24 -17.183   4.012   4.943
  181    HD2  LYS  24           HD2      LYS  24 -18.798   3.668   3.173
  182    HD3  LYS  24           HD1      LYS  24 -18.551   5.395   3.440
  183    HE2  LYS  24           HE2      LYS  24 -18.666   4.782   1.045
  184    HE3  LYS  24           HE1      LYS  24 -17.145   5.551   1.494
  185    HZ1  LYS  24           HZ1      LYS  24 -16.992   3.530   0.021
  186    HZ2  LYS  24           HZ2      LYS  24 -17.458   2.606   1.366
  187    HZ3  LYS  24           HZ3      LYS  24 -16.023   3.507   1.414
  188    H    GLY  25           HN       GLY  25 -12.988   4.971   3.781
  189    HA2  GLY  25           HA2      GLY  25 -12.222   2.546   5.163
  190    HA3  GLY  25           HA1      GLY  25 -12.391   2.507   3.431
  191    H    LYS  26           HN       LYS  26 -10.181   2.174   5.346
  192    HA   LYS  26           HA       LYS  26  -8.264   3.970   4.088
  193    HB2  LYS  26           HB2      LYS  26  -7.444   4.204   6.542
  194    HB3  LYS  26           HB1      LYS  26  -8.763   5.221   5.946
  195    HG2  LYS  26           HG2      LYS  26 -10.308   3.430   6.778
  196    HG3  LYS  26           HG1      LYS  26  -8.914   2.745   7.630
  197    HD2  LYS  26           HD2      LYS  26 -10.222   4.225   9.096
  198    HD3  LYS  26           HD1      LYS  26  -8.593   4.856   8.818
  199    HE2  LYS  26           HE2      LYS  26  -9.387   6.440   7.235
  200    HE3  LYS  26           HE1      LYS  26 -10.995   5.703   7.206
  201    HZ1  LYS  26           HZ1      LYS  26 -11.540   6.637   9.224
  202    HZ2  LYS  26           HZ2      LYS  26 -10.510   7.848   8.624
  203    HZ3  LYS  26           HZ3      LYS  26  -9.932   6.725   9.764
  204    H    LEU  27           HN       LEU  27  -6.033   3.275   4.505
  205    HA   LEU  27           HA       LEU  27  -5.828   0.485   5.339
  206    HB2  LEU  27           HB2      LEU  27  -6.132   0.295   3.062
  207    HB3  LEU  27           HB1      LEU  27  -5.018   1.631   2.699
  208    HG   LEU  27           HG       LEU  27  -3.144   0.250   3.466
  209   HD11  LEU  27          HD11      LEU  27  -4.118  -2.349   3.380
  210   HD12  LEU  27          HD12      LEU  27  -5.279  -1.483   4.386
  211   HD13  LEU  27          HD13      LEU  27  -3.565  -1.481   4.811
  212   HD21  LEU  27          HD21      LEU  27  -2.890  -0.540   1.395
  213   HD22  LEU  27          HD22      LEU  27  -4.510   0.085   1.085
  214   HD23  LEU  27          HD23      LEU  27  -4.288  -1.605   1.537
  215    H    SER  28           HN       SER  28  -3.781  -0.147   6.073
  216    HA   SER  28           HA       SER  28  -1.682   1.888   6.280
  217    HB2  SER  28           HB2      SER  28  -3.126   1.907   8.372
  218    HB3  SER  28           HB1      SER  28  -2.646   0.223   8.624
  219    HG   SER  28           HG       SER  28  -1.263   2.522   9.138
  220    H    LEU  29           HN       LEU  29   0.444   0.934   6.492
  221    HA   LEU  29           HA       LEU  29   0.484  -1.925   6.680
  222    HB2  LEU  29           HB2      LEU  29   2.248  -1.926   4.733
  223    HB3  LEU  29           HB1      LEU  29   0.505  -2.157   4.478
  224    HG   LEU  29           HG       LEU  29   0.355   0.282   4.161
  225   HD11  LEU  29          HD11      LEU  29   3.044   0.665   3.262
  226   HD12  LEU  29          HD12      LEU  29   3.008   0.227   4.972
  227   HD13  LEU  29          HD13      LEU  29   2.089   1.618   4.398
  228   HD21  LEU  29          HD21      LEU  29   1.691  -1.595   2.289
  229   HD22  LEU  29          HD22      LEU  29   1.570   0.101   1.822
  230   HD23  LEU  29          HD23      LEU  29   0.110  -0.822   2.174
  231    H    SER  30           HN       SER  30   2.302  -2.886   7.418
  232    HA   SER  30           HA       SER  30   4.649  -1.291   8.071
  233    HB2  SER  30           HB2      SER  30   3.013  -2.739  10.183
  234    HB3  SER  30           HB1      SER  30   4.561  -1.940  10.452
  235    HG   SER  30           HG       SER  30   2.048  -0.782   9.825
  236    H    MET  31           HN       MET  31   5.984  -3.090   9.662
  237    HA   MET  31           HA       MET  31   5.779  -5.717   8.420
  238    HB2  MET  31           HB2      MET  31   8.235  -5.686   7.851
  239    HB3  MET  31           HB1      MET  31   7.189  -4.682   6.825
  240    HG2  MET  31           HG2      MET  31   9.179  -3.461   7.257
  241    HG3  MET  31           HG1      MET  31   7.883  -2.706   8.178
  242    HE1  MET  31           HE1      MET  31   9.924  -5.958   8.859
  243    HE2  MET  31           HE2      MET  31  11.132  -5.407  10.022
  244    HE3  MET  31           HE3      MET  31  11.195  -4.844   8.352
  245    H    ASN  32           HN       ASN  32   7.373  -7.244   9.300
  246    HA   ASN  32           HA       ASN  32   8.334  -6.656  11.994
  247    HB2  ASN  32           HB2      ASN  32   5.972  -7.486  12.240
  248    HB3  ASN  32           HB1      ASN  32   6.454  -8.974  11.411
  249   HD21  ASN  32          HD21      ASN  32   8.989  -7.855  13.297
  250   HD22  ASN  32          HD22      ASN  32   8.714  -8.835  14.705
  251    H    GLY  33           HN       GLY  33  10.401  -6.950  11.066
  252    HA2  GLY  33           HA2      GLY  33  12.277  -8.210  10.496
  253    HA3  GLY  33           HA1      GLY  33  11.330  -9.669  10.873
  254    H    ASN  34           HN       ASN  34  10.469 -10.833   9.245
  255    HA   ASN  34           HA       ASN  34  10.830  -9.801   6.502
  256    HB2  ASN  34           HB2      ASN  34  10.677 -12.655   7.498
  257    HB3  ASN  34           HB1      ASN  34  10.704 -12.203   5.800
  258   HD21  ASN  34          HD21      ASN  34  12.598  -9.965   7.183
  259   HD22  ASN  34          HD22      ASN  34  14.144 -10.759   7.062
  260    H    GLN  35           HN       GLN  35   8.556  -9.592   8.578
  261    HA   GLN  35           HA       GLN  35   6.409 -10.930   7.111
  262    HB2  GLN  35           HB2      GLN  35   6.604 -11.078   9.631
  263    HB3  GLN  35           HB1      GLN  35   6.225  -9.355   9.678
  264    HG2  GLN  35           HG2      GLN  35   4.261 -10.705  10.151
  265    HG3  GLN  35           HG1      GLN  35   4.060  -9.782   8.661
  266   HE21  GLN  35          HE21      GLN  35   3.043 -10.891   7.163
  267   HE22  GLN  35          HE22      GLN  35   3.198 -12.600   6.871
  268    H    LEU  36           HN       LEU  36   4.476  -9.785   6.584
  269    HA   LEU  36           HA       LEU  36   4.816  -6.891   6.282
  270    HB2  LEU  36           HB2      LEU  36   5.075  -7.870   4.151
  271    HB3  LEU  36           HB1      LEU  36   3.646  -8.887   4.348
  272    HG   LEU  36           HG       LEU  36   3.436  -6.984   2.708
  273   HD11  LEU  36          HD11      LEU  36   1.235  -6.132   3.858
  274   HD12  LEU  36          HD12      LEU  36   1.588  -7.422   5.007
  275   HD13  LEU  36          HD13      LEU  36   1.379  -7.798   3.296
  276   HD21  LEU  36          HD21      LEU  36   3.732  -5.362   5.219
  277   HD22  LEU  36          HD22      LEU  36   2.820  -4.769   3.833
  278   HD23  LEU  36          HD23      LEU  36   4.532  -5.163   3.658
  279    H    LYS  37           HN       LYS  37   3.142  -5.653   6.825
  280    HA   LYS  37           HA       LYS  37   0.830  -6.981   8.089
  281    HB2  LYS  37           HB2      LYS  37   2.453  -4.616   9.078
  282    HB3  LYS  37           HB1      LYS  37   1.084  -5.377   9.922
  283    HG2  LYS  37           HG2      LYS  37   3.590  -6.887   9.204
  284    HG3  LYS  37           HG1      LYS  37   3.423  -5.974  10.723
  285    HD2  LYS  37           HD2      LYS  37   1.372  -7.306  11.220
  286    HD3  LYS  37           HD1      LYS  37   1.706  -8.268   9.778
  287    HE2  LYS  37           HE2      LYS  37   3.800  -8.997  10.689
  288    HE3  LYS  37           HE1      LYS  37   3.604  -7.950  12.094
  289    HZ1  LYS  37           HZ1      LYS  37   1.377  -9.716  11.740
  290    HZ2  LYS  37           HZ2      LYS  37   2.360  -9.463  13.105
  291    HZ3  LYS  37           HZ3      LYS  37   2.840 -10.572  11.909
  292    H    ALA  38           HN       ALA  38  -1.094  -6.148   7.326
  293    HA   ALA  38           HA       ALA  38  -1.108  -3.297   6.604
  294    HB1  ALA  38           HB1      ALA  38  -2.973  -4.923   5.043
  295    HB2  ALA  38           HB2      ALA  38  -1.272  -5.250   4.699
  296    HB3  ALA  38           HB3      ALA  38  -1.904  -3.611   4.539
  297    H    THR  39           HN       THR  39  -2.845  -2.189   7.299
  298    HA   THR  39           HA       THR  39  -5.089  -3.680   8.451
  299    HB   THR  39           HB       THR  39  -5.135  -1.924  10.282
  300    HG1  THR  39           HG1      THR  39  -2.425  -1.603   9.499
  301   HG21  THR  39          HG21      THR  39  -3.335  -3.015  11.643
  302   HG22  THR  39          HG22      THR  39  -2.923  -3.955  10.208
  303   HG23  THR  39          HG23      THR  39  -4.522  -4.112  10.936
  304    H    SER  40           HN       SER  40  -6.909  -3.034   7.665
  305    HA   SER  40           HA       SER  40  -7.219  -0.280   6.597
  306    HB2  SER  40           HB2      SER  40  -8.758  -2.773   5.900
  307    HB3  SER  40           HB1      SER  40  -8.959  -1.166   5.187
  308    HG   SER  40           HG       SER  40  -7.602  -2.443   3.886
  309    H    SER  41           HN       SER  41  -8.610   0.964   7.650
  310    HA   SER  41           HA       SER  41  -9.944  -0.299   9.914
  311    HB2  SER  41           HB2      SER  41  -8.530   1.659  10.363
  312    HB3  SER  41           HB1      SER  41  -9.544   2.643   9.312
  313    HG   SER  41           HG       SER  41  -9.923   2.652  11.718
  314    H    ASN  42           HN       ASN  42 -12.045   0.188  10.535
  315    HA   ASN  42           HA       ASN  42 -14.293   0.401  10.274
  316    HB2  ASN  42           HB2      ASN  42 -13.641   1.415   7.495
  317    HB3  ASN  42           HB1      ASN  42 -15.315   1.207   8.134
  318   HD21  ASN  42          HD21      ASN  42 -12.841   3.351   7.706
  319   HD22  ASN  42          HD22      ASN  42 -13.277   4.532   8.917
  320    H    ALA  43           HN       ALA  43 -12.248  -1.651   9.347
  321    HA   ALA  43           HA       ALA  43 -12.210  -3.801   8.579
  322    HB1  ALA  43           HB1      ALA  43 -13.284  -4.913  10.152
  323    HB2  ALA  43           HB2      ALA  43 -14.864  -4.418   9.540
  324    HB3  ALA  43           HB3      ALA  43 -13.974  -3.368  10.648
  325    H    GLY  44           HN       GLY  44 -12.690  -2.596   6.281
  326    HA2  GLY  44           HA2      GLY  44 -13.183  -3.803   4.298
  327    HA3  GLY  44           HA1      GLY  44 -14.630  -4.463   5.115
  328    H    TYR  45           HN       TYR  45 -13.710  -1.054   4.980
  329    HA   TYR  45           HA       TYR  45 -15.906  -0.648   3.073
  330    HB2  TYR  45           HB2      TYR  45 -15.040   1.205   5.316
  331    HB3  TYR  45           HB1      TYR  45 -16.074   1.704   3.962
  332    HD1  TYR  45           HD1      TYR  45 -18.200   2.129   4.943
  333    HD2  TYR  45           HD2      TYR  45 -16.135  -1.461   5.966
  334    HE1  TYR  45           HE1      TYR  45 -20.170   1.340   6.158
  335    HE2  TYR  45           HE2      TYR  45 -18.111  -2.247   7.186
  336    HH   TYR  45           HH       TYR  45 -20.511  -0.386   8.201
  337    H    GLY  46           HN       GLY  46 -15.555   1.128   1.572
  338    HA2  GLY  46           HA2      GLY  46 -12.695   1.392   0.940
  339    HA3  GLY  46           HA1      GLY  46 -14.025   1.684  -0.184
  340    H    ILE  47           HN       ILE  47 -12.217   3.596  -0.185
  341    HA   ILE  47           HA       ILE  47 -12.019   5.593   1.642
  342    HB   ILE  47           HB       ILE  47 -12.561   6.013  -1.260
  343   HG12  ILE  47          HG12      ILE  47 -10.825   4.353  -0.956
  344   HG13  ILE  47          HG11      ILE  47 -10.141   5.882  -1.500
  345   HG21  ILE  47          HG21      ILE  47 -11.125   8.011  -0.957
  346   HG22  ILE  47          HG22      ILE  47 -11.099   7.684   0.777
  347   HG23  ILE  47          HG23      ILE  47 -12.619   8.082  -0.023
  348   HD11  ILE  47          HD11      ILE  47 -10.086   4.767   1.280
  349   HD12  ILE  47          HD12      ILE  47  -9.510   6.377   0.840
  350   HD13  ILE  47          HD13      ILE  47  -8.720   4.945   0.176
  351    H    SER  48           HN       SER  48 -14.289   5.578  -1.006
  352    HA   SER  48           HA       SER  48 -16.650   6.221   0.295
  353    HB2  SER  48           HB2      SER  48 -15.353   8.293   0.945
  354    HB3  SER  48           HB1      SER  48 -15.234   8.698  -0.781
  355    HG   SER  48           HG       SER  48 -16.999   9.783  -0.165
  356    H    TYR  49           HN       TYR  49 -17.459   8.260  -1.761
  357    HA   TYR  49           HA       TYR  49 -17.685   6.491  -4.065
  358    HB2  TYR  49           HB2      TYR  49 -18.758   9.268  -3.542
  359    HB3  TYR  49           HB1      TYR  49 -18.915   8.430  -5.089
  360    HD1  TYR  49           HD1      TYR  49 -19.172   6.879  -1.729
  361    HD2  TYR  49           HD2      TYR  49 -21.390   8.206  -5.137
  362    HE1  TYR  49           HE1      TYR  49 -21.186   5.798  -0.850
  363    HE2  TYR  49           HE2      TYR  49 -23.384   7.116  -4.250
  364    HH   TYR  49           HH       TYR  49 -23.825   5.100  -2.612
  365    H    GLU  50           HN       GLU  50 -15.390   6.438  -4.399
  366    HA   GLU  50           HA       GLU  50 -14.606   8.420  -6.352
  367    HB2  GLU  50           HB2      GLU  50 -12.972   7.841  -3.879
  368    HB3  GLU  50           HB1      GLU  50 -12.281   8.553  -5.324
  369    HG2  GLU  50           HG2      GLU  50 -13.690  10.481  -5.093
  370    HG3  GLU  50           HG1      GLU  50 -14.509   9.757  -3.698
  371    H    ASP  51           HN       ASP  51 -12.841   7.618  -7.717
  372    HA   ASP  51           HA       ASP  51 -12.407   4.738  -7.328
  373    HB2  ASP  51           HB2      ASP  51 -12.464   6.041 -10.047
  374    HB3  ASP  51           HB1      ASP  51 -12.399   4.311  -9.667
  375    H    LYS  52           HN       LYS  52 -10.403   4.066  -7.151
  376    HA   LYS  52           HA       LYS  52  -8.240   5.622  -8.284
  377    HB2  LYS  52           HB2      LYS  52  -8.393   4.926  -5.382
  378    HB3  LYS  52           HB1      LYS  52  -6.909   5.408  -6.183
  379    HG2  LYS  52           HG2      LYS  52  -7.606   7.379  -5.222
  380    HG3  LYS  52           HG1      LYS  52  -8.247   7.516  -6.852
  381    HD2  LYS  52           HD2      LYS  52 -10.015   8.203  -5.495
  382    HD3  LYS  52           HD1      LYS  52 -10.412   6.512  -5.876
  383    HE2  LYS  52           HE2      LYS  52  -9.445   5.812  -3.745
  384    HE3  LYS  52           HE1      LYS  52  -9.030   7.485  -3.370
  385    HZ1  LYS  52           HZ1      LYS  52 -11.098   6.675  -2.309
  386    HZ2  LYS  52           HZ2      LYS  52 -11.801   6.546  -3.841
  387    HZ3  LYS  52           HZ3      LYS  52 -11.315   8.067  -3.258
  388    H    ASN  53           HN       ASN  53  -6.781   4.359  -9.202
  389    HA   ASN  53           HA       ASN  53  -6.830   1.507  -8.495
  390    HB2  ASN  53           HB2      ASN  53  -5.958   2.898 -11.027
  391    HB3  ASN  53           HB1      ASN  53  -5.552   1.206 -10.671
  392   HD21  ASN  53          HD21      ASN  53  -8.522   1.934  -9.294
  393   HD22  ASN  53          HD22      ASN  53  -9.513   1.269 -10.560
  394    H    TRP  54           HN       TRP  54  -5.143   0.631  -7.539
  395    HA   TRP  54           HA       TRP  54  -2.813   2.370  -7.219
  396    HB2  TRP  54           HB2      TRP  54  -4.427   0.892  -5.297
  397    HB3  TRP  54           HB1      TRP  54  -2.681   0.566  -5.146
  398    HD1  TRP  54           HD1      TRP  54  -4.912   3.778  -5.458
  399    HE1  TRP  54           HE1      TRP  54  -3.741   5.602  -4.049
  400    HE3  TRP  54           HE3      TRP  54  -0.909   1.097  -3.895
  401    HZ2  TRP  54           HZ2      TRP  54  -1.337   5.805  -2.526
  402    HZ3  TRP  54           HZ3      TRP  54   0.758   2.183  -2.487
  403    HH2  TRP  54           HH2      TRP  54   0.540   4.480  -1.800
  404    H    GLY  55           HN       GLY  55  -0.776   1.392  -6.717
  405    HA2  GLY  55           HA2      GLY  55  -0.495  -1.355  -7.635
  406    HA3  GLY  55           HA1      GLY  55   0.419  -0.124  -8.509
  407    H    ILE  56           HN       ILE  56   1.464  -2.253  -7.266
  408    HA   ILE  56           HA       ILE  56   3.338  -1.070  -5.327
  409    HB   ILE  56           HB       ILE  56   1.985  -3.789  -5.047
  410   HG12  ILE  56          HG12      ILE  56   1.868  -1.444  -3.138
  411   HG13  ILE  56          HG11      ILE  56   0.588  -1.811  -4.318
  412   HG21  ILE  56          HG21      ILE  56   3.297  -3.478  -2.738
  413   HG22  ILE  56          HG22      ILE  56   4.385  -2.600  -3.814
  414   HG23  ILE  56          HG23      ILE  56   3.988  -4.287  -4.145
  415   HD11  ILE  56          HD11      ILE  56   0.745  -4.186  -3.136
  416   HD12  ILE  56          HD12      ILE  56  -0.255  -2.879  -2.495
  417   HD13  ILE  56          HD13      ILE  56   1.336  -3.196  -1.800
  418    H    PHE  57           HN       PHE  57   5.243  -1.280  -6.445
  419    HA   PHE  57           HA       PHE  57   5.408  -3.546  -8.314
  420    HB2  PHE  57           HB2      PHE  57   6.999  -0.974  -8.512
  421    HB3  PHE  57           HB1      PHE  57   6.811  -2.239  -9.744
  422    HD1  PHE  57           HD1      PHE  57   4.811   0.230  -7.792
  423    HD2  PHE  57           HD2      PHE  57   5.235  -1.961 -11.413
  424    HE1  PHE  57           HE1      PHE  57   2.911   1.438  -8.731
  425    HE2  PHE  57           HE2      PHE  57   3.318  -0.741 -12.369
  426    HZ   PHE  57           HZ       PHE  57   2.152   0.964 -11.013
  427    H    VAL  58           HN       VAL  58   6.851  -5.038  -7.941
  428    HA   VAL  58           HA       VAL  58   9.133  -4.464  -6.186
  429    HB   VAL  58           HB       VAL  58   7.933  -7.121  -7.002
  430   HG11  VAL  58          HG11      VAL  58  10.493  -6.970  -6.693
  431   HG12  VAL  58          HG12      VAL  58   9.602  -8.242  -5.857
  432   HG13  VAL  58          HG13      VAL  58  10.108  -6.796  -4.980
  433   HG21  VAL  58          HG21      VAL  58   8.223  -6.346  -4.176
  434   HG22  VAL  58          HG22      VAL  58   6.907  -7.196  -4.991
  435   HG23  VAL  58          HG23      VAL  58   7.027  -5.440  -5.104
  436    H    ASN  59           HN       ASN  59  10.875  -3.895  -7.256
  437    HA   ASN  59           HA       ASN  59  12.516  -3.721  -8.807
  438    HB2  ASN  59           HB2      ASN  59  11.663  -6.526  -9.574
  439    HB3  ASN  59           HB1      ASN  59  13.114  -5.699 -10.188
  440   HD21  ASN  59          HD21      ASN  59  14.906  -6.164  -9.168
  441   HD22  ASN  59          HD22      ASN  59  15.046  -6.692  -7.526
  442    H    GLY  60           HN       GLY  60   9.949  -2.670  -9.409
  443    HA2  GLY  60           HA2      GLY  60   9.537  -1.314 -11.321
  444    HA3  GLY  60           HA1      GLY  60  10.330  -2.560 -12.302
  445    H    GLU  61           HN       GLU  61   8.823  -4.740 -11.233
  446    HA   GLU  61           HA       GLU  61   6.552  -4.394 -12.995
  447    HB2  GLU  61           HB2      GLU  61   6.286  -6.798 -12.896
  448    HB3  GLU  61           HB1      GLU  61   7.979  -6.410 -13.172
  449    HG2  GLU  61           HG2      GLU  61   8.457  -6.835 -10.802
  450    HG3  GLU  61           HG1      GLU  61   6.753  -7.217 -10.540
  451    H    LYS  62           HN       LYS  62   4.401  -4.815 -12.487
  452    HA   LYS  62           HA       LYS  62   3.521  -4.009  -9.903
  453    HB2  LYS  62           HB2      LYS  62   2.150  -3.666 -11.931
  454    HB3  LYS  62           HB1      LYS  62   2.020  -5.429 -12.132
  455    HG2  LYS  62           HG2      LYS  62  -0.013  -4.724 -11.173
  456    HG3  LYS  62           HG1      LYS  62   0.919  -5.481  -9.855
  457    HD2  LYS  62           HD2      LYS  62  -0.056  -3.491  -8.980
  458    HD3  LYS  62           HD1      LYS  62   1.664  -3.158  -9.215
  459    HE2  LYS  62           HE2      LYS  62   0.246  -1.299  -9.996
  460    HE3  LYS  62           HE1      LYS  62   1.189  -2.017 -11.306
  461    HZ1  LYS  62           HZ1      LYS  62  -1.537  -3.011 -10.803
  462    HZ2  LYS  62           HZ2      LYS  62  -0.660  -2.954 -12.255
  463    HZ3  LYS  62           HZ3      LYS  62  -1.344  -1.539 -11.623
  464    H    VAL  63           HN       VAL  63   3.277  -5.227  -8.113
  465    HA   VAL  63           HA       VAL  63   3.350  -8.135  -8.468
  466    HB   VAL  63           HB       VAL  63   5.222  -7.203  -7.242
  467   HG11  VAL  63          HG11      VAL  63   3.330  -6.567  -5.003
  468   HG12  VAL  63          HG12      VAL  63   3.903  -5.358  -6.153
  469   HG13  VAL  63          HG13      VAL  63   5.051  -6.202  -5.113
  470   HG21  VAL  63          HG21      VAL  63   3.614  -9.393  -6.508
  471   HG22  VAL  63          HG22      VAL  63   4.249  -8.674  -5.027
  472   HG23  VAL  63          HG23      VAL  63   5.355  -9.184  -6.305
  473    H    TYR  64           HN       TYR  64   1.584  -5.457  -7.076
  474    HA   TYR  64           HA       TYR  64  -0.723  -7.170  -6.798
  475    HB2  TYR  64           HB2      TYR  64   0.363  -7.332  -4.570
  476    HB3  TYR  64           HB1      TYR  64   0.232  -5.565  -4.419
  477    HD1  TYR  64           HD1      TYR  64  -1.459  -4.945  -2.939
  478    HD2  TYR  64           HD2      TYR  64  -2.082  -8.329  -5.442
  479    HE1  TYR  64           HE1      TYR  64  -3.697  -5.222  -1.995
  480    HE2  TYR  64           HE2      TYR  64  -4.331  -8.614  -4.497
  481    HH   TYR  64           HH       TYR  64  -5.344  -7.545  -1.803
  482    H    THR  65           HN       THR  65  -2.567  -6.104  -7.295
  483    HA   THR  65           HA       THR  65  -2.478  -3.177  -7.437
  484    HB   THR  65           HB       THR  65  -4.038  -5.001  -9.143
  485    HG1  THR  65           HG1      THR  65  -2.121  -5.113 -10.047
  486   HG21  THR  65          HG21      THR  65  -4.350  -2.188  -8.695
  487   HG22  THR  65          HG22      THR  65  -5.354  -3.282  -9.646
  488   HG23  THR  65          HG23      THR  65  -3.944  -2.519 -10.379
  489    H    PHE  66           HN       PHE  66  -3.876  -2.152  -6.120
  490    HA   PHE  66           HA       PHE  66  -6.360  -3.574  -5.480
  491    HB2  PHE  66           HB2      PHE  66  -6.398  -2.720  -3.221
  492    HB3  PHE  66           HB1      PHE  66  -4.958  -3.739  -3.511
  493    HD1  PHE  66           HD1      PHE  66  -2.838  -2.941  -2.959
  494    HD2  PHE  66           HD2      PHE  66  -6.087  -0.200  -3.212
  495    HE1  PHE  66           HE1      PHE  66  -1.443  -1.196  -1.923
  496    HE2  PHE  66           HE2      PHE  66  -4.695   1.550  -2.194
  497    HZ   PHE  66           HZ       PHE  66  -2.359   1.070  -1.547
  498    H    ASN  67           HN       ASN  67  -8.088  -2.142  -4.836
  499    HA   ASN  67           HA       ASN  67  -7.813   0.485  -6.124
  500    HB2  ASN  67           HB2      ASN  67 -10.195  -1.388  -6.253
  501    HB3  ASN  67           HB1      ASN  67 -10.092   0.209  -7.005
  502   HD21  ASN  67          HD21      ASN  67  -9.963  -2.964  -7.628
  503   HD22  ASN  67          HD22      ASN  67  -8.940  -2.964  -9.023
  504    H    GLU  68           HN       GLU  68  -9.017   2.148  -5.196
  505    HA   GLU  68           HA       GLU  68  -9.619   1.776  -2.396
  506    HB2  GLU  68           HB2      GLU  68 -10.002   4.209  -4.114
  507    HB3  GLU  68           HB1      GLU  68  -9.936   4.155  -2.364
  508    HG2  GLU  68           HG2      GLU  68  -7.646   3.286  -4.083
  509    HG3  GLU  68           HG1      GLU  68  -7.857   4.971  -3.556
  510    H    LYS  69           HN       LYS  69 -11.188   1.578  -5.313
  511    HA   LYS  69           HA       LYS  69 -13.924   2.105  -4.620
  512    HB2  LYS  69           HB2      LYS  69 -12.752   0.111  -6.578
  513    HB3  LYS  69           HB1      LYS  69 -14.393   0.811  -6.621
  514    HG2  LYS  69           HG2      LYS  69 -13.442   3.024  -7.033
  515    HG3  LYS  69           HG1      LYS  69 -11.812   2.310  -7.056
  516    HD2  LYS  69           HD2      LYS  69 -14.072   1.627  -8.949
  517    HD3  LYS  69           HD1      LYS  69 -12.696   2.665  -9.324
  518    HE2  LYS  69           HE2      LYS  69 -11.183   0.759  -8.918
  519    HE3  LYS  69           HE1      LYS  69 -12.586  -0.269  -8.616
  520    HZ1  LYS  69           HZ1      LYS  69 -12.181   1.204 -11.163
  521    HZ2  LYS  69           HZ2      LYS  69 -13.284  -0.054 -10.847
  522    HZ3  LYS  69           HZ3      LYS  69 -11.618  -0.380 -10.912
  523    H    SER  70           HN       SER  70 -11.790  -0.576  -4.913
  524    HA   SER  70           HA       SER  70 -13.302  -2.603  -3.684
  525    HB2  SER  70           HB2      SER  70 -10.316  -2.208  -3.972
  526    HB3  SER  70           HB1      SER  70 -11.134  -3.740  -3.539
  527    HG   SER  70           HG       SER  70 -11.480  -4.071  -5.583
  528    H    THR  71           HN       THR  71 -13.670  -2.898  -1.550
  529    HA   THR  71           HA       THR  71 -13.146  -0.918   0.329
  530    HB   THR  71           HB       THR  71 -13.863  -2.579   1.959
  531    HG1  THR  71           HG1      THR  71 -13.078  -4.304  -0.007
  532   HG21  THR  71          HG21      THR  71 -15.719  -3.286  -0.178
  533   HG22  THR  71          HG22      THR  71 -15.416  -1.555  -0.020
  534   HG23  THR  71          HG23      THR  71 -16.009  -2.478   1.363
  535    H    VAL  72           HN       VAL  72 -11.143  -0.333   0.976
  536    HA   VAL  72           HA       VAL  72  -8.860  -1.657   0.622
  537    HB   VAL  72           HB       VAL  72  -8.520  -0.152   3.066
  538   HG11  VAL  72          HG11      VAL  72  -7.760   0.683   0.276
  539   HG12  VAL  72          HG12      VAL  72  -6.954  -0.660   1.097
  540   HG13  VAL  72          HG13      VAL  72  -6.919   0.956   1.801
  541   HG21  VAL  72          HG21      VAL  72  -9.343   1.994   2.371
  542   HG22  VAL  72          HG22      VAL  72 -10.709   0.899   2.180
  543   HG23  VAL  72          HG23      VAL  72  -9.774   1.414   0.758
  544    H    GLY  73           HN       GLY  73 -11.219  -2.196   2.997
  545    HA2  GLY  73           HA2      GLY  73  -9.811  -3.621   4.972
  546    HA3  GLY  73           HA1      GLY  73 -11.508  -3.756   4.583
  547    H    ASN  74           HN       ASN  74 -11.982  -5.052   2.535
  548    HA   ASN  74           HA       ASN  74 -11.086  -7.673   3.008
  549    HB2  ASN  74           HB2      ASN  74 -12.474  -6.515   0.577
  550    HB3  ASN  74           HB1      ASN  74 -12.239  -8.251   0.874
  551   HD21  ASN  74          HD21      ASN  74 -14.440  -5.866   1.077
  552   HD22  ASN  74          HD22      ASN  74 -15.432  -6.484   2.370
  553    H    ILE  75           HN       ILE  75  -9.742  -5.152   1.210
  554    HA   ILE  75           HA       ILE  75  -8.079  -6.775  -0.516
  555    HB   ILE  75           HB       ILE  75  -8.024  -3.903   0.264
  556   HG12  ILE  75          HG12      ILE  75  -9.927  -4.625  -1.140
  557   HG13  ILE  75          HG11      ILE  75  -8.855  -3.531  -2.037
  558   HG21  ILE  75          HG21      ILE  75  -6.455  -4.882  -2.044
  559   HG22  ILE  75          HG22      ILE  75  -5.800  -5.127  -0.428
  560   HG23  ILE  75          HG23      ILE  75  -6.168  -3.496  -0.988
  561   HD11  ILE  75          HD11      ILE  75  -8.780  -5.054  -3.632
  562   HD12  ILE  75          HD12      ILE  75  -9.641  -6.224  -2.633
  563   HD13  ILE  75          HD13      ILE  75  -7.885  -6.097  -2.529
  564    H    SER  76           HN       SER  76  -7.754  -5.106   2.574
  565    HA   SER  76           HA       SER  76  -4.984  -5.811   2.849
  566    HB2  SER  76           HB2      SER  76  -5.796  -3.821   3.961
  567    HB3  SER  76           HB1      SER  76  -6.990  -4.768   4.860
  568    HG   SER  76           HG       SER  76  -4.931  -4.191   5.947
  569    H    ASN  77           HN       ASN  77  -7.973  -7.341   3.408
  570    HA   ASN  77           HA       ASN  77  -7.095  -9.374   5.220
  571    HB2  ASN  77           HB2      ASN  77  -9.242  -9.399   3.074
  572    HB3  ASN  77           HB1      ASN  77  -8.956 -10.724   4.204
  573   HD21  ASN  77          HD21      ASN  77  -8.287  -8.014   5.900
  574   HD22  ASN  77          HD22      ASN  77  -9.842  -7.719   6.610
  575    H    ASP  78           HN       ASP  78  -6.798  -8.646   1.846
  576    HA   ASP  78           HA       ASP  78  -5.533 -11.176   1.193
  577    HB2  ASP  78           HB2      ASP  78  -6.192  -8.703  -0.388
  578    HB3  ASP  78           HB1      ASP  78  -5.107  -9.942  -1.051
  579    H    ILE  79           HN       ILE  79  -4.530  -7.913   2.013
  580    HA   ILE  79           HA       ILE  79  -1.897  -8.245   1.014
  581    HB   ILE  79           HB       ILE  79  -2.700  -6.331   3.239
  582   HG12  ILE  79          HG12      ILE  79  -2.742  -5.964   0.228
  583   HG13  ILE  79          HG11      ILE  79  -4.188  -6.189   1.231
  584   HG21  ILE  79          HG21      ILE  79  -0.227  -6.836   2.432
  585   HG22  ILE  79          HG22      ILE  79  -0.758  -5.192   2.787
  586   HG23  ILE  79          HG23      ILE  79  -0.684  -5.754   1.118
  587   HD11  ILE  79          HD11      ILE  79  -2.330  -3.843   1.091
  588   HD12  ILE  79          HD12      ILE  79  -3.420  -4.087   2.456
  589   HD13  ILE  79          HD13      ILE  79  -4.074  -3.900   0.825
  590    H    ASN  80           HN       ASN  80  -3.489  -9.444   3.754
  591    HA   ASN  80           HA       ASN  80  -1.260  -9.827   5.464
  592    HB2  ASN  80           HB2      ASN  80  -3.926 -11.235   5.276
  593    HB3  ASN  80           HB1      ASN  80  -2.727 -11.579   6.505
  594   HD21  ASN  80          HD21      ASN  80  -2.548  -8.371   5.728
  595   HD22  ASN  80          HD22      ASN  80  -3.559  -7.723   6.985
  596    H    LYS  81           HN       LYS  81  -2.778 -11.779   2.913
  597    HA   LYS  81           HA       LYS  81  -0.929 -13.921   3.350
  598    HB2  LYS  81           HB2      LYS  81  -1.938 -14.868   1.213
  599    HB3  LYS  81           HB1      LYS  81  -2.973 -14.725   2.621
  600    HG2  LYS  81           HG2      LYS  81  -2.978 -12.483   0.697
  601    HG3  LYS  81           HG1      LYS  81  -3.772 -13.999   0.220
  602    HD2  LYS  81           HD2      LYS  81  -4.314 -12.405   2.729
  603    HD3  LYS  81           HD1      LYS  81  -5.339 -12.449   1.294
  604    HE2  LYS  81           HE2      LYS  81  -4.682 -14.788   3.083
  605    HE3  LYS  81           HE1      LYS  81  -6.209 -13.906   3.046
  606    HZ1  LYS  81           HZ1      LYS  81  -6.542 -15.824   1.761
  607    HZ2  LYS  81           HZ2      LYS  81  -5.059 -15.658   0.945
  608    HZ3  LYS  81           HZ3      LYS  81  -6.329 -14.576   0.625
  609    H    LEU  82           HN       LEU  82  -1.359 -11.477   0.784
  610    HA   LEU  82           HA       LEU  82   0.546 -12.281  -0.988
  611    HB2  LEU  82           HB2      LEU  82  -0.489  -9.626  -0.198
  612    HB3  LEU  82           HB1      LEU  82   0.838  -9.740  -1.368
  613    HG   LEU  82           HG       LEU  82  -1.471  -9.600  -2.326
  614   HD11  LEU  82          HD11      LEU  82  -0.218 -10.325  -4.034
  615   HD12  LEU  82          HD12      LEU  82  -0.919 -11.905  -3.687
  616   HD13  LEU  82          HD13      LEU  82   0.646 -11.467  -3.005
  617   HD21  LEU  82          HD21      LEU  82  -2.730 -10.991  -0.865
  618   HD22  LEU  82          HD22      LEU  82  -1.710 -12.378  -1.261
  619   HD23  LEU  82          HD23      LEU  82  -2.766 -11.680  -2.488
  620    H    ASN  83           HN       ASN  83   1.101 -10.827   2.120
  621    HA   ASN  83           HA       ASN  83   2.995 -10.188   3.260
  622    HB2  ASN  83           HB2      ASN  83   3.087 -12.681   3.219
  623    HB3  ASN  83           HB1      ASN  83   4.095 -12.591   1.774
  624   HD21  ASN  83          HD21      ASN  83   4.935 -10.037   3.734
  625   HD22  ASN  83          HD22      ASN  83   6.275 -10.773   4.562
  626    H    ILE  84           HN       ILE  84   2.954  -8.320   1.541
  627    HA   ILE  84           HA       ILE  84   5.101  -8.454  -0.357
  628    HB   ILE  84           HB       ILE  84   3.332  -6.118   0.319
  629   HG12  ILE  84          HG12      ILE  84   2.039  -8.060  -0.474
  630   HG13  ILE  84          HG11      ILE  84   2.039  -6.746  -1.675
  631   HG21  ILE  84          HG21      ILE  84   5.515  -5.646  -0.863
  632   HG22  ILE  84          HG22      ILE  84   4.056  -5.111  -1.696
  633   HG23  ILE  84          HG23      ILE  84   4.879  -6.580  -2.217
  634   HD11  ILE  84          HD11      ILE  84   3.167  -9.462  -1.821
  635   HD12  ILE  84          HD12      ILE  84   4.158  -8.179  -2.516
  636   HD13  ILE  84          HD13      ILE  84   2.509  -8.426  -3.089
  637    H    LYS  85           HN       LYS  85   7.074  -8.481   0.653
  638    HA   LYS  85           HA       LYS  85   7.927  -5.936   1.728
  639    HB2  LYS  85           HB2      LYS  85   8.126  -8.484   3.310
  640    HB3  LYS  85           HB1      LYS  85   9.245  -7.157   3.555
  641    HG2  LYS  85           HG2      LYS  85   6.258  -7.054   3.896
  642    HG3  LYS  85           HG1      LYS  85   7.463  -7.076   5.187
  643    HD2  LYS  85           HD2      LYS  85   7.088  -4.912   3.112
  644    HD3  LYS  85           HD1      LYS  85   6.657  -4.811   4.820
  645    HE2  LYS  85           HE2      LYS  85   9.015  -5.056   5.432
  646    HE3  LYS  85           HE1      LYS  85   9.449  -5.180   3.728
  647    HZ1  LYS  85           HZ1      LYS  85   9.713  -2.934   4.874
  648    HZ2  LYS  85           HZ2      LYS  85   8.025  -2.810   4.766
  649    HZ3  LYS  85           HZ3      LYS  85   8.950  -2.956   3.353
  650    H    GLY  86           HN       GLY  86   9.219  -5.617   0.008
  651    HA2  GLY  86           HA2      GLY  86  11.256  -5.575  -1.018
  652    HA3  GLY  86           HA1      GLY  86  11.811  -6.745   0.194
  653    HA   PRO  87           HA       PRO  87  13.101  -5.884  -1.792
  654    HB2  PRO  87           HB2      PRO  87  14.436  -6.038  -4.074
  655    HB3  PRO  87           HB1      PRO  87  14.636  -7.264  -2.825
  656    HG2  PRO  87           HG2      PRO  87  13.116  -7.375  -5.381
  657    HG3  PRO  87           HG1      PRO  87  14.049  -8.650  -4.574
  658    HD2  PRO  87           HD2      PRO  87  11.238  -8.294  -4.435
  659    HD3  PRO  87           HD1      PRO  87  12.238  -9.359  -3.396
  660    H    TYR  88           HN       TYR  88  13.732  -3.969  -3.281
  661    HA   TYR  88           HA       TYR  88  12.675  -1.894  -3.706
  662    HB2  TYR  88           HB2      TYR  88  12.827  -3.383  -6.342
  663    HB3  TYR  88           HB1      TYR  88  12.716  -1.601  -6.157
  664    HD1  TYR  88           HD1      TYR  88  14.682  -0.423  -6.268
  665    HD2  TYR  88           HD2      TYR  88  14.819  -4.459  -4.972
  666    HE1  TYR  88           HE1      TYR  88  17.132  -0.293  -6.154
  667    HE2  TYR  88           HE2      TYR  88  17.269  -4.347  -4.836
  668    HH   TYR  88           HH       TYR  88  18.974  -1.651  -4.686
  669    H    ILE  89           HN       ILE  89  10.646  -1.598  -2.853
  670    HA   ILE  89           HA       ILE  89   8.387  -2.455  -4.546
  671    HB   ILE  89           HB       ILE  89   8.390  -1.752  -1.600
  672   HG12  ILE  89          HG12      ILE  89   7.925  -4.382  -3.056
  673   HG13  ILE  89          HG11      ILE  89   9.426  -3.991  -2.175
  674   HG21  ILE  89          HG21      ILE  89   6.041  -3.074  -2.278
  675   HG22  ILE  89          HG22      ILE  89   6.276  -1.877  -3.553
  676   HG23  ILE  89          HG23      ILE  89   6.226  -1.370  -1.864
  677   HD11  ILE  89          HD11      ILE  89   7.715  -5.446  -0.993
  678   HD12  ILE  89          HD12      ILE  89   6.714  -4.000  -0.864
  679   HD13  ILE  89          HD13      ILE  89   8.304  -4.040  -0.102
  680    H    GLU  90           HN       GLU  90   7.072  -1.050  -5.426
  681    HA   GLU  90           HA       GLU  90   7.258   1.787  -4.594
  682    HB2  GLU  90           HB2      GLU  90   6.615   0.763  -7.370
  683    HB3  GLU  90           HB1      GLU  90   6.707   2.461  -6.873
  684    HG2  GLU  90           HG2      GLU  90   9.074   2.253  -6.471
  685    HG3  GLU  90           HG1      GLU  90   9.020   0.527  -6.835
  686    H    ILE  91           HN       ILE  91   5.500   1.804  -3.230
  687    HA   ILE  91           HA       ILE  91   2.928   0.826  -4.240
  688    HB   ILE  91           HB       ILE  91   3.345   1.880  -1.457
  689   HG12  ILE  91          HG12      ILE  91   4.009  -0.921  -2.373
  690   HG13  ILE  91          HG11      ILE  91   5.179   0.278  -1.835
  691   HG21  ILE  91          HG21      ILE  91   1.856  -0.528  -1.575
  692   HG22  ILE  91          HG22      ILE  91   1.263   0.528  -2.851
  693   HG23  ILE  91          HG23      ILE  91   1.281   1.087  -1.170
  694   HD11  ILE  91          HD11      ILE  91   2.968  -0.335   0.023
  695   HD12  ILE  91          HD12      ILE  91   4.675  -0.023   0.351
  696   HD13  ILE  91          HD13      ILE  91   4.165  -1.607  -0.237
  697    H    LYS  92           HN       LYS  92   1.808   2.383  -5.347
  698    HA   LYS  92           HA       LYS  92   1.077   4.852  -4.125
  699    HB2  LYS  92           HB2      LYS  92   2.159   6.433  -5.462
  700    HB3  LYS  92           HB1      LYS  92   3.442   5.235  -5.264
  701    HG2  LYS  92           HG2      LYS  92   1.647   5.585  -7.667
  702    HG3  LYS  92           HG1      LYS  92   3.352   6.014  -7.548
  703    HD2  LYS  92           HD2      LYS  92   3.993   3.709  -7.433
  704    HD3  LYS  92           HD1      LYS  92   2.312   3.200  -7.245
  705    HE2  LYS  92           HE2      LYS  92   3.155   2.835  -9.524
  706    HE3  LYS  92           HE1      LYS  92   1.786   3.957  -9.490
  707    HZ1  LYS  92           HZ1      LYS  92   3.887   4.489 -10.893
  708    HZ2  LYS  92           HZ2      LYS  92   4.553   5.002  -9.416
  709    HZ3  LYS  92           HZ3      LYS  92   3.138   5.732 -10.011
  710    H    GLN  93           HN       GLN  93  -0.372   6.110  -5.882
  711    HA   GLN  93           HA       GLN  93  -1.953   4.044  -7.151
  712    HB2  GLN  93           HB2      GLN  93  -3.530   5.721  -7.787
  713    HB3  GLN  93           HB1      GLN  93  -3.157   5.862  -6.064
  714    HG2  GLN  93           HG2      GLN  93  -1.733   7.746  -6.478
  715    HG3  GLN  93           HG1      GLN  93  -1.926   7.537  -8.217
  716   HE21  GLN  93          HE21      GLN  93  -2.905   9.328  -5.667
  717   HE22  GLN  93          HE22      GLN  93  -4.438   9.867  -6.257
  718    H    ILE  94           HN       ILE  94  -2.796   4.493  -9.357
  719    HA   ILE  94           HA       ILE  94  -0.664   5.361 -11.182
  720    HB   ILE  94           HB       ILE  94  -1.135   3.253 -12.447
  721   HG12  ILE  94          HG12      ILE  94  -2.444   2.586  -9.810
  722   HG13  ILE  94          HG11      ILE  94  -3.199   2.639 -11.401
  723   HG21  ILE  94          HG21      ILE  94   0.509   3.684 -10.143
  724   HG22  ILE  94          HG22      ILE  94   0.863   2.775 -11.614
  725   HG23  ILE  94          HG23      ILE  94   0.051   1.984 -10.263
  726   HD11  ILE  94          HD11      ILE  94  -1.018   0.809 -11.431
  727   HD12  ILE  94          HD12      ILE  94  -2.733   0.516 -11.730
  728   HD13  ILE  94          HD13      ILE  94  -2.099   0.453 -10.084
  Start of MODEL   17
    1    H    ASP   1           HT1      ASP   1  19.886   9.633   9.743
    2    HA   ASP   1           HA       ASP   1  20.965  11.394   8.350
    3    HB2  ASP   1           HB2      ASP   1  23.068  10.697   7.241
    4    HB3  ASP   1           HB1      ASP   1  23.269  10.894   8.977
    5    H    ASN   2           HN       ASN   2  22.057  10.058   5.980
    6    HA   ASN   2           HA       ASN   2  19.646   8.563   5.186
    7    HB2  ASN   2           HB2      ASN   2  19.945  10.676   3.979
    8    HB3  ASN   2           HB1      ASN   2  21.560  10.180   3.483
    9   HD21  ASN   2          HD21      ASN   2  21.614   9.613   1.446
   10   HD22  ASN   2          HD22      ASN   2  20.382   8.762   0.586
   11    H    GLN   3           HN       GLN   3  22.806   8.108   6.026
   12    HA   GLN   3           HA       GLN   3  23.562   6.152   4.054
   13    HB2  GLN   3           HB2      GLN   3  24.724   6.665   6.796
   14    HB3  GLN   3           HB1      GLN   3  25.458   5.692   5.529
   15    HG2  GLN   3           HG2      GLN   3  25.656   7.675   4.118
   16    HG3  GLN   3           HG1      GLN   3  24.921   8.651   5.392
   17   HE21  GLN   3          HE21      GLN   3  26.290   9.685   6.647
   18   HE22  GLN   3          HE22      GLN   3  27.926   9.229   6.964
   19    H    LYS   4           HN       LYS   4  21.315   6.099   6.462
   20    HA   LYS   4           HA       LYS   4  21.708   3.330   7.265
   21    HB2  LYS   4           HB2      LYS   4  19.491   5.303   7.863
   22    HB3  LYS   4           HB1      LYS   4  19.550   3.658   8.486
   23    HG2  LYS   4           HG2      LYS   4  21.588   4.166   9.704
   24    HG3  LYS   4           HG1      LYS   4  21.599   5.799   9.034
   25    HD2  LYS   4           HD2      LYS   4  20.706   5.712  11.341
   26    HD3  LYS   4           HD1      LYS   4  19.538   6.332  10.175
   27    HE2  LYS   4           HE2      LYS   4  18.518   4.761  11.770
   28    HE3  LYS   4           HE1      LYS   4  18.412   4.192  10.105
   29    HZ1  LYS   4           HZ1      LYS   4  20.565   2.919  10.701
   30    HZ2  LYS   4           HZ2      LYS   4  19.073   2.322  11.236
   31    HZ3  LYS   4           HZ3      LYS   4  20.079   3.164  12.312
   32    H    ALA   5           HN       ALA   5  20.125   5.205   4.909
   33    HA   ALA   5           HA       ALA   5  18.672   4.803   3.238
   34    HB1  ALA   5           HB1      ALA   5  18.622   2.199   2.601
   35    HB2  ALA   5           HB2      ALA   5  20.118   2.244   3.534
   36    HB3  ALA   5           HB3      ALA   5  19.928   3.284   2.123
   37    H    LEU   6           HN       LEU   6  17.247   5.318   5.193
   38    HA   LEU   6           HA       LEU   6  15.485   3.062   5.867
   39    HB2  LEU   6           HB2      LEU   6  16.724   4.309   7.675
   40    HB3  LEU   6           HB1      LEU   6  15.789   5.730   7.259
   41    HG   LEU   6           HG       LEU   6  13.717   4.487   7.876
   42   HD11  LEU   6          HD11      LEU   6  14.625   2.503   9.544
   43   HD12  LEU   6          HD12      LEU   6  15.648   2.320   8.119
   44   HD13  LEU   6          HD13      LEU   6  13.892   2.263   7.960
   45   HD21  LEU   6          HD21      LEU   6  15.907   5.007   9.845
   46   HD22  LEU   6          HD22      LEU   6  14.341   4.397  10.380
   47   HD23  LEU   6          HD23      LEU   6  14.442   5.938   9.529
   48    H    GLU   7           HN       GLU   7  15.501   5.018   3.494
   49    HA   GLU   7           HA       GLU   7  13.452   6.848   3.650
   50    HB2  GLU   7           HB2      GLU   7  13.371   6.691   1.159
   51    HB3  GLU   7           HB1      GLU   7  14.977   6.927   1.830
   52    HG2  GLU   7           HG2      GLU   7  15.411   4.516   1.561
   53    HG3  GLU   7           HG1      GLU   7  13.822   4.338   0.816
   54    H    GLU   8           HN       GLU   8  13.143   3.452   2.528
   55    HA   GLU   8           HA       GLU   8  10.384   3.760   1.982
   56    HB2  GLU   8           HB2      GLU   8  10.312   1.293   1.802
   57    HB3  GLU   8           HB1      GLU   8  11.566   2.031   0.822
   58    HG2  GLU   8           HG2      GLU   8  13.246   1.382   2.434
   59    HG3  GLU   8           HG1      GLU   8  12.001   0.706   3.485
   60    H    GLN   9           HN       GLN   9  12.116   3.188   4.884
   61    HA   GLN   9           HA       GLN   9   9.652   2.405   6.276
   62    HB2  GLN   9           HB2      GLN   9  12.459   2.634   7.384
   63    HB3  GLN   9           HB1      GLN   9  11.050   2.093   8.276
   64    HG2  GLN   9           HG2      GLN   9  12.136   0.129   7.760
   65    HG3  GLN   9           HG1      GLN   9  10.894   0.236   6.518
   66   HE21  GLN   9          HE21      GLN   9  13.319   2.467   5.927
   67   HE22  GLN   9          HE22      GLN   9  14.228   1.554   4.774
   68    H    MET  10           HN       MET  10  10.676   5.151   5.142
   69    HA   MET  10           HA       MET  10  10.462   6.672   7.651
   70    HB2  MET  10           HB2      MET  10  12.455   7.027   6.173
   71    HB3  MET  10           HB1      MET  10  11.379   7.632   4.927
   72    HG2  MET  10           HG2      MET  10  11.721   8.878   7.646
   73    HG3  MET  10           HG1      MET  10  12.568   9.394   6.194
   74    HE1  MET  10           HE1      MET  10  10.273  12.400   6.533
   75    HE2  MET  10           HE2      MET  10  11.865  11.698   6.818
   76    HE3  MET  10           HE3      MET  10  10.589  11.506   8.020
   77    H    ASN  11           HN       ASN  11   9.588   7.464   4.299
   78    HA   ASN  11           HA       ASN  11   6.940   8.279   5.293
   79    HB2  ASN  11           HB2      ASN  11   6.713   9.359   3.012
   80    HB3  ASN  11           HB1      ASN  11   7.819  10.152   4.147
   81   HD21  ASN  11          HD21      ASN  11   9.751  10.660   3.366
   82   HD22  ASN  11          HD22      ASN  11  10.483   9.993   1.949
   83    H    SER  12           HN       SER  12   8.674   6.461   2.963
   84    HA   SER  12           HA       SER  12   6.961   5.944   1.086
   85    HB2  SER  12           HB2      SER  12   9.238   5.041   1.137
   86    HB3  SER  12           HB1      SER  12   8.760   3.886   2.386
   87    HG   SER  12           HG       SER  12   8.833   3.186   0.046
   88    H    ILE  13           HN       ILE  13   7.148   3.652   3.841
   89    HA   ILE  13           HA       ILE  13   4.636   2.523   3.118
   90    HB   ILE  13           HB       ILE  13   6.503   1.129   3.789
   91   HG12  ILE  13          HG12      ILE  13   4.263   1.181   5.785
   92   HG13  ILE  13          HG11      ILE  13   4.237   0.414   4.186
   93   HG21  ILE  13          HG21      ILE  13   6.559   2.947   6.097
   94   HG22  ILE  13          HG22      ILE  13   7.859   2.017   5.352
   95   HG23  ILE  13          HG23      ILE  13   6.757   1.239   6.491
   96   HD11  ILE  13          HD11      ILE  13   4.859  -0.822   6.566
   97   HD12  ILE  13          HD12      ILE  13   6.440  -0.507   5.849
   98   HD13  ILE  13          HD13      ILE  13   5.234  -1.435   4.955
   99    H    ASN  14           HN       ASN  14   5.800   4.890   5.359
  100    HA   ASN  14           HA       ASN  14   3.581   4.625   7.171
  101    HB2  ASN  14           HB2      ASN  14   5.742   6.730   7.011
  102    HB3  ASN  14           HB1      ASN  14   4.502   6.669   8.256
  103   HD21  ASN  14          HD21      ASN  14   5.123   5.778  10.065
  104   HD22  ASN  14          HD22      ASN  14   6.334   4.552  10.245
  105    H    SER  15           HN       SER  15   4.628   7.329   5.036
  106    HA   SER  15           HA       SER  15   2.172   8.693   5.401
  107    HB2  SER  15           HB2      SER  15   2.898  10.234   3.665
  108    HB3  SER  15           HB1      SER  15   4.215   9.917   4.795
  109    HG   SER  15           HG       SER  15   4.669   8.152   3.056
  110    H    VAL  16           HN       VAL  16   3.044   6.040   3.473
  111    HA   VAL  16           HA       VAL  16   1.339   6.387   1.255
  112    HB   VAL  16           HB       VAL  16   3.112   4.506   1.725
  113   HG11  VAL  16          HG11      VAL  16   0.635   3.010   2.568
  114   HG12  VAL  16          HG12      VAL  16   1.819   3.650   3.716
  115   HG13  VAL  16          HG13      VAL  16   2.309   2.439   2.532
  116   HG21  VAL  16          HG21      VAL  16   2.088   4.677  -0.386
  117   HG22  VAL  16          HG22      VAL  16   0.543   4.091   0.243
  118   HG23  VAL  16          HG23      VAL  16   1.929   2.998   0.136
  119    H    ASN  17           HN       ASN  17   0.877   5.597   4.536
  120    HA   ASN  17           HA       ASN  17  -1.768   4.510   4.276
  121    HB2  ASN  17           HB2      ASN  17  -0.306   5.524   6.728
  122    HB3  ASN  17           HB1      ASN  17  -1.809   4.606   6.734
  123   HD21  ASN  17          HD21      ASN  17   1.299   4.313   7.367
  124   HD22  ASN  17          HD22      ASN  17   1.578   2.667   6.925
  125    H    ASP  18           HN       ASP  18  -0.284   7.586   5.083
  126    HA   ASP  18           HA       ASP  18  -2.537   8.981   5.947
  127    HB2  ASP  18           HB2      ASP  18  -0.042   9.872   4.509
  128    HB3  ASP  18           HB1      ASP  18  -1.227  10.984   5.146
  129    H    LYS  19           HN       LYS  19  -1.813   7.824   2.808
  130    HA   LYS  19           HA       LYS  19  -3.399   9.819   1.406
  131    HB2  LYS  19           HB2      LYS  19  -2.185   7.302   0.384
  132    HB3  LYS  19           HB1      LYS  19  -2.730   8.702  -0.555
  133    HG2  LYS  19           HG2      LYS  19  -1.038  10.072   0.248
  134    HG3  LYS  19           HG1      LYS  19  -0.647   8.952   1.573
  135    HD2  LYS  19           HD2      LYS  19  -0.161   7.307  -0.313
  136    HD3  LYS  19           HD1      LYS  19  -0.049   8.756  -1.324
  137    HE2  LYS  19           HE2      LYS  19   1.388   8.364   1.270
  138    HE3  LYS  19           HE1      LYS  19   2.140   8.040  -0.308
  139    HZ1  LYS  19           HZ1      LYS  19   1.348  10.521  -0.715
  140    HZ2  LYS  19           HZ2      LYS  19   2.827  10.178   0.054
  141    HZ3  LYS  19           HZ3      LYS  19   1.465  10.591   0.982
  142    H    LEU  20           HN       LEU  20  -3.352   6.527   2.322
  143    HA   LEU  20           HA       LEU  20  -5.766   5.816   1.008
  144    HB2  LEU  20           HB2      LEU  20  -4.086   4.409   3.057
  145    HB3  LEU  20           HB1      LEU  20  -5.305   3.637   2.034
  146    HG   LEU  20           HG       LEU  20  -2.692   4.871   1.139
  147   HD11  LEU  20          HD11      LEU  20  -3.095   2.383   2.104
  148   HD12  LEU  20          HD12      LEU  20  -1.847   2.818   0.937
  149   HD13  LEU  20          HD13      LEU  20  -3.373   2.129   0.380
  150   HD21  LEU  20          HD21      LEU  20  -4.032   5.429  -0.639
  151   HD22  LEU  20          HD22      LEU  20  -5.097   4.040  -0.416
  152   HD23  LEU  20          HD23      LEU  20  -3.489   3.818  -1.107
  153    H    ASN  21           HN       ASN  21  -4.702   6.683   4.184
  154    HA   ASN  21           HA       ASN  21  -7.139   6.123   5.546
  155    HB2  ASN  21           HB2      ASN  21  -4.662   7.697   6.239
  156    HB3  ASN  21           HB1      ASN  21  -6.086   7.783   7.275
  157   HD21  ASN  21          HD21      ASN  21  -3.185   6.382   7.035
  158   HD22  ASN  21          HD22      ASN  21  -3.499   4.873   7.842
  159    H    LYS  22           HN       LYS  22  -8.837   7.187   4.388
  160    HA   LYS  22           HA       LYS  22  -8.505  10.125   4.279
  161    HB2  LYS  22           HB2      LYS  22  -9.691   8.267   2.252
  162    HB3  LYS  22           HB1      LYS  22 -10.136   9.979   2.285
  163    HG2  LYS  22           HG2      LYS  22  -7.802  10.605   1.996
  164    HG3  LYS  22           HG1      LYS  22  -7.327   8.904   2.017
  165    HD2  LYS  22           HD2      LYS  22  -8.488   8.476  -0.005
  166    HD3  LYS  22           HD1      LYS  22  -9.244  10.074  -0.001
  167    HE2  LYS  22           HE2      LYS  22  -6.315   9.429  -0.356
  168    HE3  LYS  22           HE1      LYS  22  -7.423  10.003  -1.603
  169    HZ1  LYS  22           HZ1      LYS  22  -6.302  11.485   0.698
  170    HZ2  LYS  22           HZ2      LYS  22  -7.717  12.019  -0.075
  171    HZ3  LYS  22           HZ3      LYS  22  -6.269  11.893  -0.953
  172    H    GLY  23           HN       GLY  23 -10.989   7.611   4.741
  173    HA2  GLY  23           HA2      GLY  23 -12.362   9.114   6.629
  174    HA3  GLY  23           HA1      GLY  23 -13.095   9.404   5.043
  175    H    LYS  24           HN       LYS  24 -14.230   7.778   4.030
  176    HA   LYS  24           HA       LYS  24 -15.786   6.049   5.486
  177    HB2  LYS  24           HB2      LYS  24 -16.012   6.711   3.065
  178    HB3  LYS  24           HB1      LYS  24 -14.829   5.429   2.706
  179    HG2  LYS  24           HG2      LYS  24 -16.288   3.739   3.456
  180    HG3  LYS  24           HG1      LYS  24 -17.404   4.916   4.183
  181    HD2  LYS  24           HD2      LYS  24 -17.696   5.898   1.939
  182    HD3  LYS  24           HD1      LYS  24 -16.797   4.541   1.258
  183    HE2  LYS  24           HE2      LYS  24 -18.509   3.015   2.273
  184    HE3  LYS  24           HE1      LYS  24 -19.425   4.453   2.729
  185    HZ1  LYS  24           HZ1      LYS  24 -18.800   3.520  -0.010
  186    HZ2  LYS  24           HZ2      LYS  24 -19.433   5.065   0.330
  187    HZ3  LYS  24           HZ3      LYS  24 -20.331   3.673   0.720
  188    H    GLY  25           HN       GLY  25 -12.928   5.213   3.601
  189    HA2  GLY  25           HA2      GLY  25 -12.280   3.166   5.563
  190    HA3  GLY  25           HA1      GLY  25 -12.247   2.750   3.867
  191    H    LYS  26           HN       LYS  26 -10.148   2.588   5.647
  192    HA   LYS  26           HA       LYS  26  -8.208   4.449   4.532
  193    HB2  LYS  26           HB2      LYS  26  -7.540   4.639   7.055
  194    HB3  LYS  26           HB1      LYS  26  -8.798   5.674   6.363
  195    HG2  LYS  26           HG2      LYS  26 -10.403   3.880   7.020
  196    HG3  LYS  26           HG1      LYS  26  -9.100   3.177   7.983
  197    HD2  LYS  26           HD2      LYS  26 -10.500   4.578   9.402
  198    HD3  LYS  26           HD1      LYS  26  -8.905   5.312   9.227
  199    HE2  LYS  26           HE2      LYS  26 -11.190   6.084   7.445
  200    HE3  LYS  26           HE1      LYS  26 -10.993   6.820   9.042
  201    HZ1  LYS  26           HZ1      LYS  26  -9.329   7.099   6.639
  202    HZ2  LYS  26           HZ2      LYS  26  -8.592   7.270   8.158
  203    HZ3  LYS  26           HZ3      LYS  26  -9.878   8.289   7.714
  204    H    LEU  27           HN       LEU  27  -5.972   3.837   5.154
  205    HA   LEU  27           HA       LEU  27  -5.763   0.911   5.473
  206    HB2  LEU  27           HB2      LEU  27  -5.815   1.642   3.244
  207    HB3  LEU  27           HB1      LEU  27  -4.395   2.674   3.517
  208    HG   LEU  27           HG       LEU  27  -3.969   0.536   2.389
  209   HD11  LEU  27          HD11      LEU  27  -2.458   1.717   4.414
  210   HD12  LEU  27          HD12      LEU  27  -1.889   0.777   3.036
  211   HD13  LEU  27          HD13      LEU  27  -2.270  -0.030   4.556
  212   HD21  LEU  27          HD21      LEU  27  -4.002  -1.023   4.846
  213   HD22  LEU  27          HD22      LEU  27  -4.416  -1.500   3.200
  214   HD23  LEU  27          HD23      LEU  27  -5.584  -0.617   4.182
  215    H    SER  28           HN       SER  28  -3.979   0.147   6.547
  216    HA   SER  28           HA       SER  28  -1.905   2.022   7.433
  217    HB2  SER  28           HB2      SER  28  -3.346   0.001   9.175
  218    HB3  SER  28           HB1      SER  28  -1.997   1.015   9.696
  219    HG   SER  28           HG       SER  28  -3.295   2.849   9.396
  220    H    LEU  29           HN       LEU  29   0.148   1.047   7.684
  221    HA   LEU  29           HA       LEU  29   0.278  -1.839   7.251
  222    HB2  LEU  29           HB2      LEU  29   2.115   0.041   5.778
  223    HB3  LEU  29           HB1      LEU  29   1.966  -1.728   5.622
  224    HG   LEU  29           HG       LEU  29  -0.295   0.127   4.918
  225   HD11  LEU  29          HD11      LEU  29   1.371   0.850   3.427
  226   HD12  LEU  29          HD12      LEU  29   0.525  -0.406   2.524
  227   HD13  LEU  29          HD13      LEU  29   2.076  -0.761   3.285
  228   HD21  LEU  29          HD21      LEU  29   0.404  -2.706   4.141
  229   HD22  LEU  29          HD22      LEU  29  -0.998  -1.797   3.577
  230   HD23  LEU  29          HD23      LEU  29  -0.847  -2.215   5.283
  231    H    SER  30           HN       SER  30   2.304  -2.768   7.860
  232    HA   SER  30           HA       SER  30   4.347  -1.221   9.111
  233    HB2  SER  30           HB2      SER  30   2.695  -1.279  10.965
  234    HB3  SER  30           HB1      SER  30   2.652  -3.038  10.870
  235    HG   SER  30           HG       SER  30   4.722  -1.342  11.780
  236    H    MET  31           HN       MET  31   5.781  -3.113  10.378
  237    HA   MET  31           HA       MET  31   5.568  -5.641   8.996
  238    HB2  MET  31           HB2      MET  31   7.860  -5.657   8.124
  239    HB3  MET  31           HB1      MET  31   6.860  -4.409   7.350
  240    HG2  MET  31           HG2      MET  31   7.918  -2.707   8.733
  241    HG3  MET  31           HG1      MET  31   8.894  -3.944   9.527
  242    HE1  MET  31           HE1      MET  31  10.131  -1.541   8.531
  243    HE2  MET  31           HE2      MET  31  11.286  -1.806   7.224
  244    HE3  MET  31           HE3      MET  31  11.403  -2.751   8.708
  245    H    ASN  32           HN       ASN  32   6.029  -7.185  10.267
  246    HA   ASN  32           HA       ASN  32   7.379  -6.670  12.809
  247    HB2  ASN  32           HB2      ASN  32   5.201  -7.923  12.745
  248    HB3  ASN  32           HB1      ASN  32   6.000  -9.186  11.795
  249   HD21  ASN  32          HD21      ASN  32   8.185  -7.935  13.982
  250   HD22  ASN  32          HD22      ASN  32   7.997  -9.119  15.243
  251    H    GLY  33           HN       GLY  33   9.483  -6.435  12.046
  252    HA2  GLY  33           HA2      GLY  33  11.623  -7.289  11.545
  253    HA3  GLY  33           HA1      GLY  33  10.881  -8.881  11.254
  254    H    ASN  34           HN       ASN  34  10.417  -9.466   9.221
  255    HA   ASN  34           HA       ASN  34  10.402  -7.372   7.155
  256    HB2  ASN  34           HB2      ASN  34  11.498 -10.178   6.864
  257    HB3  ASN  34           HB1      ASN  34  11.296  -9.032   5.541
  258   HD21  ASN  34          HD21      ASN  34  13.492 -10.322   7.530
  259   HD22  ASN  34          HD22      ASN  34  14.653  -9.026   7.598
  260    H    GLN  35           HN       GLN  35   8.254  -8.446   8.732
  261    HA   GLN  35           HA       GLN  35   6.701  -9.986   6.756
  262    HB2  GLN  35           HB2      GLN  35   7.018 -10.812   9.171
  263    HB3  GLN  35           HB1      GLN  35   5.934  -9.487   9.608
  264    HG2  GLN  35           HG2      GLN  35   4.237 -10.407   8.092
  265    HG3  GLN  35           HG1      GLN  35   5.311 -11.758   7.736
  266   HE21  GLN  35          HE21      GLN  35   2.728 -10.935   9.367
  267   HE22  GLN  35          HE22      GLN  35   2.811 -12.022  10.727
  268    H    LEU  36           HN       LEU  36   5.394  -8.761   5.559
  269    HA   LEU  36           HA       LEU  36   4.743  -6.100   6.353
  270    HB2  LEU  36           HB2      LEU  36   5.292  -6.426   4.148
  271    HB3  LEU  36           HB1      LEU  36   4.236  -7.821   3.958
  272    HG   LEU  36           HG       LEU  36   3.525  -5.847   2.650
  273   HD11  LEU  36          HD11      LEU  36   1.605  -6.967   2.895
  274   HD12  LEU  36          HD12      LEU  36   1.170  -5.646   3.978
  275   HD13  LEU  36          HD13      LEU  36   1.803  -7.153   4.637
  276   HD21  LEU  36          HD21      LEU  36   4.057  -3.916   3.727
  277   HD22  LEU  36          HD22      LEU  36   3.613  -4.535   5.318
  278   HD23  LEU  36          HD23      LEU  36   2.358  -4.036   4.185
  279    H    LYS  37           HN       LYS  37   2.968  -5.261   7.108
  280    HA   LYS  37           HA       LYS  37   0.726  -7.052   7.804
  281    HB2  LYS  37           HB2      LYS  37   1.998  -4.919   9.551
  282    HB3  LYS  37           HB1      LYS  37   0.790  -6.125  10.042
  283    HG2  LYS  37           HG2      LYS  37   3.586  -6.793   9.107
  284    HG3  LYS  37           HG1      LYS  37   3.133  -6.583  10.806
  285    HD2  LYS  37           HD2      LYS  37   1.904  -8.622   8.947
  286    HD3  LYS  37           HD1      LYS  37   3.244  -8.957  10.030
  287    HE2  LYS  37           HE2      LYS  37   1.168  -9.726  11.011
  288    HE3  LYS  37           HE1      LYS  37   1.833  -8.397  11.955
  289    HZ1  LYS  37           HZ1      LYS  37  -0.056  -7.304  11.708
  290    HZ2  LYS  37           HZ2      LYS  37  -0.716  -8.613  10.849
  291    HZ3  LYS  37           HZ3      LYS  37   0.070  -7.363  10.023
  292    H    ALA  38           HN       ALA  38  -1.137  -6.210   6.975
  293    HA   ALA  38           HA       ALA  38  -1.403  -3.277   6.771
  294    HB1  ALA  38           HB1      ALA  38  -2.274  -3.494   4.718
  295    HB2  ALA  38           HB2      ALA  38  -3.241  -4.900   5.167
  296    HB3  ALA  38           HB3      ALA  38  -1.541  -5.098   4.738
  297    H    THR  39           HN       THR  39  -3.369  -2.332   7.147
  298    HA   THR  39           HA       THR  39  -5.560  -3.825   8.295
  299    HB   THR  39           HB       THR  39  -5.562  -2.112  10.259
  300    HG1  THR  39           HG1      THR  39  -2.798  -2.140   9.646
  301   HG21  THR  39          HG21      THR  39  -4.088  -4.632  10.029
  302   HG22  THR  39          HG22      THR  39  -5.284  -4.110  11.217
  303   HG23  THR  39          HG23      THR  39  -3.604  -3.591  11.369
  304    H    SER  40           HN       SER  40  -7.484  -2.854   7.824
  305    HA   SER  40           HA       SER  40  -7.425  -0.065   6.798
  306    HB2  SER  40           HB2      SER  40  -8.252  -1.597   5.114
  307    HB3  SER  40           HB1      SER  40  -9.420  -2.271   6.253
  308    HG   SER  40           HG       SER  40  -9.329   0.406   5.304
  309    H    SER  41           HN       SER  41  -8.611   1.386   7.862
  310    HA   SER  41           HA       SER  41  -9.879   0.335  10.291
  311    HB2  SER  41           HB2      SER  41  -8.256   2.107  10.673
  312    HB3  SER  41           HB1      SER  41  -9.135   3.184   9.591
  313    HG   SER  41           HG       SER  41  -9.775   3.715  11.628
  314    H    ASN  42           HN       ASN  42 -11.902   0.977  10.963
  315    HA   ASN  42           HA       ASN  42 -14.151   1.353  10.742
  316    HB2  ASN  42           HB2      ASN  42 -13.539   2.176   7.885
  317    HB3  ASN  42           HB1      ASN  42 -15.188   2.118   8.610
  318   HD21  ASN  42          HD21      ASN  42 -12.776   4.133   7.807
  319   HD22  ASN  42          HD22      ASN  42 -13.037   5.400   8.983
  320    H    ALA  43           HN       ALA  43 -12.156  -0.792   9.694
  321    HA   ALA  43           HA       ALA  43 -12.235  -2.974   9.099
  322    HB1  ALA  43           HB1      ALA  43 -13.833  -4.214  10.243
  323    HB2  ALA  43           HB2      ALA  43 -15.055  -2.950  10.101
  324    HB3  ALA  43           HB3      ALA  43 -13.675  -2.727  11.179
  325    H    GLY  44           HN       GLY  44 -12.417  -1.914   6.730
  326    HA2  GLY  44           HA2      GLY  44 -12.853  -3.137   4.778
  327    HA3  GLY  44           HA1      GLY  44 -14.362  -3.730   5.527
  328    H    TYR  45           HN       TYR  45 -13.351  -0.331   5.166
  329    HA   TYR  45           HA       TYR  45 -15.510  -0.065   3.193
  330    HB2  TYR  45           HB2      TYR  45 -14.642   1.913   5.316
  331    HB3  TYR  45           HB1      TYR  45 -15.633   2.367   3.914
  332    HD1  TYR  45           HD1      TYR  45 -17.849   2.767   4.662
  333    HD2  TYR  45           HD2      TYR  45 -15.719  -0.562   6.259
  334    HE1  TYR  45           HE1      TYR  45 -19.841   2.091   5.909
  335    HE2  TYR  45           HE2      TYR  45 -17.718  -1.240   7.507
  336    HH   TYR  45           HH       TYR  45 -19.795  -0.118   8.415
  337    H    GLY  46           HN       GLY  46 -15.130   1.479   1.489
  338    HA2  GLY  46           HA2      GLY  46 -12.277   1.663   0.795
  339    HA3  GLY  46           HA1      GLY  46 -13.638   1.896  -0.311
  340    H    ILE  47           HN       ILE  47 -12.068   3.833  -0.771
  341    HA   ILE  47           HA       ILE  47 -11.768   6.063   0.859
  342    HB   ILE  47           HB       ILE  47 -12.688   6.228  -1.993
  343   HG12  ILE  47          HG12      ILE  47 -10.896   4.622  -2.007
  344   HG13  ILE  47          HG11      ILE  47 -10.302   6.153  -2.655
  345   HG21  ILE  47          HG21      ILE  47 -11.824   8.139  -0.095
  346   HG22  ILE  47          HG22      ILE  47 -12.266   8.399  -1.783
  347   HG23  ILE  47          HG23      ILE  47 -10.593   8.041  -1.352
  348   HD11  ILE  47          HD11      ILE  47  -9.896   5.813   0.226
  349   HD12  ILE  47          HD12      ILE  47  -8.798   6.405  -1.020
  350   HD13  ILE  47          HD13      ILE  47  -9.021   4.668  -0.793
  351    H    SER  48           HN       SER  48 -14.305   5.285  -1.395
  352    HA   SER  48           HA       SER  48 -16.516   5.839   0.148
  353    HB2  SER  48           HB2      SER  48 -17.258   8.002  -0.743
  354    HB3  SER  48           HB1      SER  48 -15.682   8.174   0.068
  355    HG   SER  48           HG       SER  48 -14.952   8.923  -1.729
  356    H    TYR  49           HN       TYR  49 -17.909   7.095  -2.241
  357    HA   TYR  49           HA       TYR  49 -17.987   4.735  -3.963
  358    HB2  TYR  49           HB2      TYR  49 -19.625   7.225  -3.727
  359    HB3  TYR  49           HB1      TYR  49 -19.598   6.336  -5.261
  360    HD1  TYR  49           HD1      TYR  49 -22.078   5.850  -5.051
  361    HD2  TYR  49           HD2      TYR  49 -19.301   4.567  -2.067
  362    HE1  TYR  49           HE1      TYR  49 -23.755   4.327  -4.140
  363    HE2  TYR  49           HE2      TYR  49 -21.002   3.049  -1.154
  364    HH   TYR  49           HH       TYR  49 -24.116   3.267  -1.638
  365    H    GLU  50           HN       GLU  50 -15.732   5.054  -4.471
  366    HA   GLU  50           HA       GLU  50 -15.375   6.812  -6.765
  367    HB2  GLU  50           HB2      GLU  50 -13.691   6.851  -4.259
  368    HB3  GLU  50           HB1      GLU  50 -13.093   7.474  -5.785
  369    HG2  GLU  50           HG2      GLU  50 -14.911   9.101  -5.838
  370    HG3  GLU  50           HG1      GLU  50 -15.536   8.451  -4.316
  371    H    ASP  51           HN       ASP  51 -13.302   6.292  -7.954
  372    HA   ASP  51           HA       ASP  51 -12.556   3.489  -7.502
  373    HB2  ASP  51           HB2      ASP  51 -12.789   4.766 -10.236
  374    HB3  ASP  51           HB1      ASP  51 -12.441   3.069  -9.875
  375    H    LYS  52           HN       LYS  52 -10.464   2.998  -7.469
  376    HA   LYS  52           HA       LYS  52  -8.507   4.883  -8.501
  377    HB2  LYS  52           HB2      LYS  52  -8.492   3.892  -5.674
  378    HB3  LYS  52           HB1      LYS  52  -7.138   4.691  -6.448
  379    HG2  LYS  52           HG2      LYS  52  -8.156   6.337  -5.155
  380    HG3  LYS  52           HG1      LYS  52  -8.713   6.655  -6.796
  381    HD2  LYS  52           HD2      LYS  52 -10.827   5.414  -6.264
  382    HD3  LYS  52           HD1      LYS  52 -10.239   5.270  -4.595
  383    HE2  LYS  52           HE2      LYS  52 -11.770   7.176  -4.859
  384    HE3  LYS  52           HE1      LYS  52 -10.161   7.666  -4.337
  385    HZ1  LYS  52           HZ1      LYS  52 -10.716   9.186  -5.977
  386    HZ2  LYS  52           HZ2      LYS  52 -11.427   8.024  -6.990
  387    HZ3  LYS  52           HZ3      LYS  52  -9.738   8.083  -6.815
  388    H    ASN  53           HN       ASN  53  -7.122   3.746  -9.709
  389    HA   ASN  53           HA       ASN  53  -6.884   0.883  -9.196
  390    HB2  ASN  53           HB2      ASN  53  -5.920   2.598 -11.490
  391    HB3  ASN  53           HB1      ASN  53  -5.529   0.876 -11.320
  392   HD21  ASN  53          HD21      ASN  53  -8.553   1.388 -10.006
  393   HD22  ASN  53          HD22      ASN  53  -9.493   0.912 -11.396
  394    H    TRP  54           HN       TRP  54  -5.171  -0.033  -8.291
  395    HA   TRP  54           HA       TRP  54  -2.976   1.788  -7.598
  396    HB2  TRP  54           HB2      TRP  54  -4.766   0.265  -5.940
  397    HB3  TRP  54           HB1      TRP  54  -3.089  -0.279  -5.691
  398    HD1  TRP  54           HD1      TRP  54  -5.156   3.018  -5.502
  399    HE1  TRP  54           HE1      TRP  54  -3.865   4.590  -3.909
  400    HE3  TRP  54           HE3      TRP  54  -1.087   0.114  -4.712
  401    HZ2  TRP  54           HZ2      TRP  54  -1.350   4.560  -2.547
  402    HZ3  TRP  54           HZ3      TRP  54   0.704   0.943  -3.280
  403    HH2  TRP  54           HH2      TRP  54   0.561   3.113  -2.223
  404    H    GLY  55           HN       GLY  55  -0.902   0.908  -7.163
  405    HA2  GLY  55           HA2      GLY  55  -0.495  -1.855  -7.969
  406    HA3  GLY  55           HA1      GLY  55   0.371  -0.639  -8.908
  407    H    ILE  56           HN       ILE  56   1.548  -2.626  -7.603
  408    HA   ILE  56           HA       ILE  56   3.307  -1.320  -5.611
  409    HB   ILE  56           HB       ILE  56   2.251  -4.177  -5.495
  410   HG12  ILE  56          HG12      ILE  56   1.685  -1.872  -3.611
  411   HG13  ILE  56          HG11      ILE  56   0.548  -2.494  -4.832
  412   HG21  ILE  56          HG21      ILE  56   3.383  -4.062  -3.206
  413   HG22  ILE  56          HG22      ILE  56   4.238  -2.661  -3.850
  414   HG23  ILE  56          HG23      ILE  56   4.409  -4.233  -4.630
  415   HD11  ILE  56          HD11      ILE  56  -0.125  -3.481  -2.836
  416   HD12  ILE  56          HD12      ILE  56   1.532  -3.812  -2.327
  417   HD13  ILE  56          HD13      ILE  56   0.813  -4.737  -3.648
  418    H    PHE  57           HN       PHE  57   5.150  -1.228  -6.746
  419    HA   PHE  57           HA       PHE  57   5.520  -3.251  -8.807
  420    HB2  PHE  57           HB2      PHE  57   6.888  -0.552  -8.549
  421    HB3  PHE  57           HB1      PHE  57   6.949  -1.638  -9.952
  422    HD1  PHE  57           HD1      PHE  57   4.555   0.371  -7.874
  423    HD2  PHE  57           HD2      PHE  57   5.365  -1.428 -11.651
  424    HE1  PHE  57           HE1      PHE  57   2.527   1.349  -8.756
  425    HE2  PHE  57           HE2      PHE  57   3.320  -0.399 -12.557
  426    HZ   PHE  57           HZ       PHE  57   1.898   0.998 -11.094
  427    H    VAL  58           HN       VAL  58   6.533  -4.928  -7.947
  428    HA   VAL  58           HA       VAL  58   9.052  -4.524  -6.492
  429    HB   VAL  58           HB       VAL  58   7.408  -7.036  -6.900
  430   HG11  VAL  58          HG11      VAL  58   9.922  -7.334  -6.725
  431   HG12  VAL  58          HG12      VAL  58   8.935  -8.209  -5.555
  432   HG13  VAL  58          HG13      VAL  58   9.770  -6.730  -5.072
  433   HG21  VAL  58          HG21      VAL  58   6.495  -6.720  -4.850
  434   HG22  VAL  58          HG22      VAL  58   6.815  -5.026  -5.227
  435   HG23  VAL  58          HG23      VAL  58   7.941  -5.933  -4.213
  436    H    ASN  59           HN       ASN  59  10.873  -4.622  -7.629
  437    HA   ASN  59           HA       ASN  59  12.417  -5.100  -9.230
  438    HB2  ASN  59           HB2      ASN  59  10.546  -7.361  -9.998
  439    HB3  ASN  59           HB1      ASN  59  12.182  -7.118 -10.654
  440   HD21  ASN  59          HD21      ASN  59  10.490  -8.893  -8.546
  441   HD22  ASN  59          HD22      ASN  59  11.729  -9.266  -7.398
  442    H    GLY  60           HN       GLY  60  10.359  -3.200  -9.607
  443    HA2  GLY  60           HA2      GLY  60   9.637  -1.750 -11.195
  444    HA3  GLY  60           HA1      GLY  60  10.814  -2.514 -12.281
  445    H    GLU  61           HN       GLU  61   7.950  -3.869 -10.736
  446    HA   GLU  61           HA       GLU  61   6.417  -3.751 -13.141
  447    HB2  GLU  61           HB2      GLU  61   6.073  -6.154 -13.308
  448    HB3  GLU  61           HB1      GLU  61   7.753  -5.734 -13.584
  449    HG2  GLU  61           HG2      GLU  61   8.255  -6.425 -11.267
  450    HG3  GLU  61           HG1      GLU  61   6.566  -6.915 -11.082
  451    H    LYS  62           HN       LYS  62   4.236  -3.899 -12.731
  452    HA   LYS  62           HA       LYS  62   3.460  -3.536 -10.014
  453    HB2  LYS  62           HB2      LYS  62   2.373  -2.324 -11.842
  454    HB3  LYS  62           HB1      LYS  62   1.793  -3.855 -12.532
  455    HG2  LYS  62           HG2      LYS  62   0.295  -4.194 -10.707
  456    HG3  LYS  62           HG1      LYS  62   1.006  -2.833  -9.798
  457    HD2  LYS  62           HD2      LYS  62  -1.134  -2.213 -10.838
  458    HD3  LYS  62           HD1      LYS  62   0.207  -1.272 -11.493
  459    HE2  LYS  62           HE2      LYS  62  -1.281  -1.951 -13.280
  460    HE3  LYS  62           HE1      LYS  62   0.277  -2.759 -13.450
  461    HZ1  LYS  62           HZ1      LYS  62  -2.105  -3.995 -13.544
  462    HZ2  LYS  62           HZ2      LYS  62  -1.686  -4.230 -11.918
  463    HZ3  LYS  62           HZ3      LYS  62  -0.640  -4.766 -13.147
  464    H    VAL  63           HN       VAL  63   3.693  -5.281  -8.761
  465    HA   VAL  63           HA       VAL  63   3.113  -7.913  -9.715
  466    HB   VAL  63           HB       VAL  63   5.033  -7.502  -8.342
  467   HG11  VAL  63          HG11      VAL  63   5.027  -6.751  -6.142
  468   HG12  VAL  63          HG12      VAL  63   3.314  -7.114  -5.925
  469   HG13  VAL  63          HG13      VAL  63   3.805  -5.741  -6.917
  470   HG21  VAL  63          HG21      VAL  63   4.944  -9.412  -6.994
  471   HG22  VAL  63          HG22      VAL  63   3.815  -9.715  -8.316
  472   HG23  VAL  63          HG23      VAL  63   3.206  -9.245  -6.728
  473    H    TYR  64           HN       TYR  64   1.531  -5.612  -7.588
  474    HA   TYR  64           HA       TYR  64  -0.785  -7.395  -7.548
  475    HB2  TYR  64           HB2      TYR  64   0.280  -7.622  -5.342
  476    HB3  TYR  64           HB1      TYR  64   0.179  -5.857  -5.128
  477    HD1  TYR  64           HD1      TYR  64  -2.347  -8.248  -6.485
  478    HD2  TYR  64           HD2      TYR  64  -1.341  -5.556  -3.345
  479    HE1  TYR  64           HE1      TYR  64  -4.604  -8.488  -5.556
  480    HE2  TYR  64           HE2      TYR  64  -3.593  -5.791  -2.414
  481    HH   TYR  64           HH       TYR  64  -5.487  -7.891  -2.662
  482    H    THR  65           HN       THR  65  -2.634  -6.439  -8.067
  483    HA   THR  65           HA       THR  65  -2.730  -3.514  -8.106
  484    HB   THR  65           HB       THR  65  -4.179  -5.365  -9.877
  485    HG1  THR  65           HG1      THR  65  -2.023  -5.360 -10.439
  486   HG21  THR  65          HG21      THR  65  -4.057  -2.382  -9.832
  487   HG22  THR  65          HG22      THR  65  -5.488  -3.412  -9.773
  488   HG23  THR  65          HG23      THR  65  -4.550  -3.290 -11.261
  489    H    PHE  66           HN       PHE  66  -3.943  -2.817  -6.478
  490    HA   PHE  66           HA       PHE  66  -6.502  -4.219  -6.045
  491    HB2  PHE  66           HB2      PHE  66  -6.522  -3.540  -3.722
  492    HB3  PHE  66           HB1      PHE  66  -5.115  -4.578  -4.085
  493    HD1  PHE  66           HD1      PHE  66  -3.017  -3.915  -3.356
  494    HD2  PHE  66           HD2      PHE  66  -6.097  -0.990  -3.657
  495    HE1  PHE  66           HE1      PHE  66  -1.587  -2.290  -2.190
  496    HE2  PHE  66           HE2      PHE  66  -4.662   0.642  -2.507
  497    HZ   PHE  66           HZ       PHE  66  -2.399  -0.004  -1.768
  498    H    ASN  67           HN       ASN  67  -8.246  -2.782  -5.409
  499    HA   ASN  67           HA       ASN  67  -7.763  -0.064  -6.418
  500    HB2  ASN  67           HB2      ASN  67 -10.137  -1.843  -7.039
  501    HB3  ASN  67           HB1      ASN  67  -9.942  -0.164  -7.561
  502   HD21  ASN  67          HD21      ASN  67  -9.681  -3.264  -8.544
  503   HD22  ASN  67          HD22      ASN  67  -8.530  -3.071  -9.821
  504    H    GLU  68           HN       GLU  68  -8.869   1.554  -5.412
  505    HA   GLU  68           HA       GLU  68  -9.753   1.069  -2.758
  506    HB2  GLU  68           HB2      GLU  68 -10.094   3.539  -4.432
  507    HB3  GLU  68           HB1      GLU  68 -10.157   3.446  -2.685
  508    HG2  GLU  68           HG2      GLU  68  -7.726   2.559  -4.183
  509    HG3  GLU  68           HG1      GLU  68  -7.985   4.282  -3.803
  510    H    LYS  69           HN       LYS  69 -11.206   0.662  -5.679
  511    HA   LYS  69           HA       LYS  69 -13.975   1.142  -5.149
  512    HB2  LYS  69           HB2      LYS  69 -12.709  -1.095  -6.746
  513    HB3  LYS  69           HB1      LYS  69 -14.360  -0.463  -6.920
  514    HG2  LYS  69           HG2      LYS  69 -13.469   1.666  -7.716
  515    HG3  LYS  69           HG1      LYS  69 -11.813   1.031  -7.565
  516    HD2  LYS  69           HD2      LYS  69 -14.002  -0.036  -9.370
  517    HD3  LYS  69           HD1      LYS  69 -12.592   0.894  -9.875
  518    HE2  LYS  69           HE2      LYS  69 -11.129  -0.912  -9.069
  519    HE3  LYS  69           HE1      LYS  69 -12.549  -1.840  -8.591
  520    HZ1  LYS  69           HZ1      LYS  69 -13.244  -1.759 -10.974
  521    HZ2  LYS  69           HZ2      LYS  69 -11.825  -2.650 -10.686
  522    HZ3  LYS  69           HZ3      LYS  69 -11.724  -1.087 -11.345
  523    H    SER  70           HN       SER  70 -11.684  -1.469  -4.827
  524    HA   SER  70           HA       SER  70 -13.315  -3.157  -3.205
  525    HB2  SER  70           HB2      SER  70 -11.470  -4.104  -4.547
  526    HB3  SER  70           HB1      SER  70 -10.312  -3.135  -3.577
  527    HG   SER  70           HG       SER  70 -10.416  -4.610  -2.088
  528    H    THR  71           HN       THR  71 -13.587  -2.963  -1.064
  529    HA   THR  71           HA       THR  71 -12.835  -0.665   0.349
  530    HB   THR  71           HB       THR  71 -13.566  -1.927   2.304
  531    HG1  THR  71           HG1      THR  71 -13.684  -4.106   0.483
  532   HG21  THR  71          HG21      THR  71 -15.505  -2.747   0.222
  533   HG22  THR  71          HG22      THR  71 -15.147  -1.029   0.398
  534   HG23  THR  71          HG23      THR  71 -15.776  -1.944   1.770
  535    H    VAL  72           HN       VAL  72 -10.931  -0.106   1.331
  536    HA   VAL  72           HA       VAL  72  -8.638  -1.422   0.894
  537    HB   VAL  72           HB       VAL  72  -8.401   0.104   3.345
  538   HG11  VAL  72          HG11      VAL  72  -6.509   0.790   2.356
  539   HG12  VAL  72          HG12      VAL  72  -7.282   1.051   0.789
  540   HG13  VAL  72          HG13      VAL  72  -6.819  -0.579   1.289
  541   HG21  VAL  72          HG21      VAL  72 -10.385   1.293   2.496
  542   HG22  VAL  72          HG22      VAL  72  -9.630   1.451   0.897
  543   HG23  VAL  72          HG23      VAL  72  -8.948   2.296   2.290
  544    H    GLY  73           HN       GLY  73 -11.010  -2.131   3.130
  545    HA2  GLY  73           HA2      GLY  73  -9.482  -3.609   5.040
  546    HA3  GLY  73           HA1      GLY  73 -11.214  -3.629   4.800
  547    H    ASN  74           HN       ASN  74 -11.787  -4.593   2.492
  548    HA   ASN  74           HA       ASN  74 -11.087  -7.340   2.651
  549    HB2  ASN  74           HB2      ASN  74 -13.219  -6.557   1.667
  550    HB3  ASN  74           HB1      ASN  74 -12.318  -5.845   0.317
  551   HD21  ASN  74          HD21      ASN  74 -12.374  -7.031  -1.437
  552   HD22  ASN  74          HD22      ASN  74 -12.435  -8.768  -1.502
  553    H    ILE  75           HN       ILE  75  -9.598  -4.644   1.215
  554    HA   ILE  75           HA       ILE  75  -7.927  -6.122  -0.656
  555    HB   ILE  75           HB       ILE  75  -7.519  -3.418   0.570
  556   HG12  ILE  75          HG12      ILE  75  -8.566  -4.089  -2.218
  557   HG13  ILE  75          HG11      ILE  75  -9.545  -3.484  -0.848
  558   HG21  ILE  75          HG21      ILE  75  -5.912  -3.067  -1.274
  559   HG22  ILE  75          HG22      ILE  75  -6.107  -4.768  -1.702
  560   HG23  ILE  75          HG23      ILE  75  -5.432  -4.326  -0.137
  561   HD11  ILE  75          HD11      ILE  75  -7.323  -1.745  -1.241
  562   HD12  ILE  75          HD12      ILE  75  -9.047  -1.410  -1.400
  563   HD13  ILE  75          HD13      ILE  75  -8.135  -2.008  -2.782
  564    H    SER  76           HN       SER  76  -7.714  -4.871   2.642
  565    HA   SER  76           HA       SER  76  -5.027  -5.713   3.039
  566    HB2  SER  76           HB2      SER  76  -5.932  -3.903   4.366
  567    HB3  SER  76           HB1      SER  76  -7.186  -4.963   5.024
  568    HG   SER  76           HG       SER  76  -5.777  -5.304   6.544
  569    H    ASN  77           HN       ASN  77  -8.111  -7.267   3.311
  570    HA   ASN  77           HA       ASN  77  -7.317  -9.582   4.763
  571    HB2  ASN  77           HB2      ASN  77  -9.335  -9.240   2.525
  572    HB3  ASN  77           HB1      ASN  77  -9.063 -10.768   3.363
  573   HD21  ASN  77          HD21      ASN  77 -10.495 -11.181   4.859
  574   HD22  ASN  77          HD22      ASN  77 -11.336 -10.011   5.829
  575    H    ASP  78           HN       ASP  78  -6.796  -8.352   1.559
  576    HA   ASP  78           HA       ASP  78  -5.511 -10.802   0.673
  577    HB2  ASP  78           HB2      ASP  78  -6.220  -8.223  -0.698
  578    HB3  ASP  78           HB1      ASP  78  -5.150  -9.413  -1.469
  579    H    ILE  79           HN       ILE  79  -4.563  -7.558   1.677
  580    HA   ILE  79           HA       ILE  79  -1.951  -7.728   0.620
  581    HB   ILE  79           HB       ILE  79  -2.764  -6.052   3.029
  582   HG12  ILE  79          HG12      ILE  79  -2.887  -5.363   0.076
  583   HG13  ILE  79          HG11      ILE  79  -4.295  -5.724   1.102
  584   HG21  ILE  79          HG21      ILE  79  -0.924  -4.672   2.497
  585   HG22  ILE  79          HG22      ILE  79  -0.716  -5.414   0.912
  586   HG23  ILE  79          HG23      ILE  79  -0.303  -6.320   2.368
  587   HD11  ILE  79          HD11      ILE  79  -2.403  -3.389   1.340
  588   HD12  ILE  79          HD12      ILE  79  -3.681  -3.764   2.497
  589   HD13  ILE  79          HD13      ILE  79  -4.093  -3.351   0.831
  590    H    ASN  80           HN       ASN  80  -3.373  -8.927   3.540
  591    HA   ASN  80           HA       ASN  80  -0.921  -9.332   4.910
  592    HB2  ASN  80           HB2      ASN  80  -3.721 -10.303   5.386
  593    HB3  ASN  80           HB1      ASN  80  -2.372 -10.794   6.393
  594   HD21  ASN  80          HD21      ASN  80  -4.835  -8.690   6.224
  595   HD22  ASN  80          HD22      ASN  80  -4.185  -7.383   7.169
  596    H    LYS  81           HN       LYS  81  -2.531 -11.144   2.431
  597    HA   LYS  81           HA       LYS  81  -0.885 -13.454   3.073
  598    HB2  LYS  81           HB2      LYS  81  -1.871 -14.507   1.030
  599    HB3  LYS  81           HB1      LYS  81  -3.000 -14.188   2.333
  600    HG2  LYS  81           HG2      LYS  81  -2.785 -12.051   0.342
  601    HG3  LYS  81           HG1      LYS  81  -3.441 -13.593  -0.256
  602    HD2  LYS  81           HD2      LYS  81  -4.385 -12.134   2.194
  603    HD3  LYS  81           HD1      LYS  81  -5.162 -12.035   0.609
  604    HE2  LYS  81           HE2      LYS  81  -5.554 -14.470   0.684
  605    HE3  LYS  81           HE1      LYS  81  -4.828 -14.522   2.293
  606    HZ1  LYS  81           HZ1      LYS  81  -7.447 -13.552   1.464
  607    HZ2  LYS  81           HZ2      LYS  81  -6.658 -12.638   2.658
  608    HZ3  LYS  81           HZ3      LYS  81  -6.969 -14.282   2.923
  609    H    LEU  82           HN       LEU  82  -1.408 -11.186   0.372
  610    HA   LEU  82           HA       LEU  82   0.657 -11.847  -1.296
  611    HB2  LEU  82           HB2      LEU  82  -0.695  -9.304  -0.596
  612    HB3  LEU  82           HB1      LEU  82   0.692  -9.290  -1.699
  613    HG   LEU  82           HG       LEU  82  -1.545  -9.375  -2.777
  614   HD11  LEU  82          HD11      LEU  82   0.595 -11.360  -3.276
  615   HD12  LEU  82          HD12      LEU  82   0.134  -9.947  -4.226
  616   HD13  LEU  82          HD13      LEU  82  -0.864 -11.400  -4.264
  617   HD21  LEU  82          HD21      LEU  82  -1.628 -12.135  -1.647
  618   HD22  LEU  82          HD22      LEU  82  -2.644 -11.576  -2.975
  619   HD23  LEU  82          HD23      LEU  82  -2.787 -10.832  -1.382
  620    H    ASN  83           HN       ASN  83   0.766 -10.169   1.737
  621    HA   ASN  83           HA       ASN  83   2.404  -9.121   2.942
  622    HB2  ASN  83           HB2      ASN  83   2.698 -11.576   3.343
  623    HB3  ASN  83           HB1      ASN  83   3.960 -11.578   2.109
  624   HD21  ASN  83          HD21      ASN  83   3.374 -11.398   5.337
  625   HD22  ASN  83          HD22      ASN  83   4.863 -10.668   5.856
  626    H    ILE  84           HN       ILE  84   2.654  -7.375   1.421
  627    HA   ILE  84           HA       ILE  84   4.704  -7.514  -0.542
  628    HB   ILE  84           HB       ILE  84   3.169  -5.145   0.487
  629   HG12  ILE  84          HG12      ILE  84   2.070  -5.271  -1.791
  630   HG13  ILE  84          HG11      ILE  84   2.854  -6.852  -1.994
  631   HG21  ILE  84          HG21      ILE  84   4.942  -5.305  -1.934
  632   HG22  ILE  84          HG22      ILE  84   5.336  -4.480  -0.424
  633   HG23  ILE  84          HG23      ILE  84   3.994  -3.910  -1.416
  634   HD11  ILE  84          HD11      ILE  84   0.401  -6.721  -1.199
  635   HD12  ILE  84          HD12      ILE  84   1.101  -6.324   0.370
  636   HD13  ILE  84          HD13      ILE  84   1.504  -7.852  -0.415
  637    H    LYS  85           HN       LYS  85   6.694  -7.891   0.340
  638    HA   LYS  85           HA       LYS  85   7.920  -5.692   1.726
  639    HB2  LYS  85           HB2      LYS  85   6.693  -7.110   3.436
  640    HB3  LYS  85           HB1      LYS  85   7.827  -8.390   3.061
  641    HG2  LYS  85           HG2      LYS  85   8.291  -7.069   5.113
  642    HG3  LYS  85           HG1      LYS  85   9.638  -7.200   3.973
  643    HD2  LYS  85           HD2      LYS  85   7.784  -4.874   3.789
  644    HD3  LYS  85           HD1      LYS  85   9.007  -4.884   5.073
  645    HE2  LYS  85           HE2      LYS  85  10.752  -5.207   3.361
  646    HE3  LYS  85           HE1      LYS  85   9.517  -5.160   2.106
  647    HZ1  LYS  85           HZ1      LYS  85  10.671  -2.989   3.670
  648    HZ2  LYS  85           HZ2      LYS  85   9.018  -2.850   3.283
  649    HZ3  LYS  85           HZ3      LYS  85  10.173  -3.021   2.049
  650    H    GLY  86           HN       GLY  86   9.306  -5.580   0.055
  651    HA2  GLY  86           HA2      GLY  86  11.265  -5.887  -1.051
  652    HA3  GLY  86           HA1      GLY  86  11.673  -7.139   0.137
  653    HA   PRO  87           HA       PRO  87  12.959  -6.419  -1.991
  654    HB2  PRO  87           HB2      PRO  87  14.088  -6.763  -4.369
  655    HB3  PRO  87           HB1      PRO  87  14.199  -8.007  -3.122
  656    HG2  PRO  87           HG2      PRO  87  12.491  -7.904  -5.563
  657    HG3  PRO  87           HG1      PRO  87  13.292  -9.294  -4.810
  658    HD2  PRO  87           HD2      PRO  87  10.580  -8.537  -4.466
  659    HD3  PRO  87           HD1      PRO  87  11.490  -9.739  -3.499
  660    H    TYR  88           HN       TYR  88  13.740  -4.626  -3.647
  661    HA   TYR  88           HA       TYR  88  12.797  -2.420  -3.955
  662    HB2  TYR  88           HB2      TYR  88  12.912  -3.866  -6.616
  663    HB3  TYR  88           HB1      TYR  88  13.010  -2.091  -6.368
  664    HD1  TYR  88           HD1      TYR  88  15.093  -1.113  -6.193
  665    HD2  TYR  88           HD2      TYR  88  14.715  -5.269  -5.388
  666    HE1  TYR  88           HE1      TYR  88  17.538  -1.285  -5.993
  667    HE2  TYR  88           HE2      TYR  88  17.160  -5.456  -5.165
  668    HH   TYR  88           HH       TYR  88  19.284  -3.189  -6.265
  669    H    ILE  89           HN       ILE  89  10.775  -1.995  -3.195
  670    HA   ILE  89           HA       ILE  89   8.478  -2.768  -4.883
  671    HB   ILE  89           HB       ILE  89   8.528  -1.838  -1.997
  672   HG12  ILE  89          HG12      ILE  89   8.056  -4.593  -3.193
  673   HG13  ILE  89          HG11      ILE  89   9.569  -4.118  -2.379
  674   HG21  ILE  89          HG21      ILE  89   6.276  -2.003  -1.941
  675   HG22  ILE  89          HG22      ILE  89   6.221  -3.268  -3.169
  676   HG23  ILE  89          HG23      ILE  89   6.449  -1.585  -3.645
  677   HD11  ILE  89          HD11      ILE  89   7.895  -5.450  -1.040
  678   HD12  ILE  89          HD12      ILE  89   6.877  -4.010  -1.043
  679   HD13  ILE  89          HD13      ILE  89   8.477  -3.957  -0.302
  680    H    GLU  90           HN       GLU  90   6.929  -1.312  -5.439
  681    HA   GLU  90           HA       GLU  90   7.388   1.510  -4.828
  682    HB2  GLU  90           HB2      GLU  90   8.245   1.061  -7.134
  683    HB3  GLU  90           HB1      GLU  90   6.623   0.493  -7.580
  684    HG2  GLU  90           HG2      GLU  90   5.720   2.711  -7.111
  685    HG3  GLU  90           HG1      GLU  90   7.329   3.278  -6.662
  686    H    ILE  91           HN       ILE  91   5.740   1.411  -3.351
  687    HA   ILE  91           HA       ILE  91   3.119   0.445  -4.112
  688    HB   ILE  91           HB       ILE  91   4.239   1.431  -1.489
  689   HG12  ILE  91          HG12      ILE  91   3.560  -1.325  -2.487
  690   HG13  ILE  91          HG11      ILE  91   5.157  -0.697  -2.086
  691   HG21  ILE  91          HG21      ILE  91   1.604   0.048  -1.777
  692   HG22  ILE  91          HG22      ILE  91   1.762   1.803  -1.763
  693   HG23  ILE  91          HG23      ILE  91   2.273   0.863  -0.367
  694   HD11  ILE  91          HD11      ILE  91   4.521  -0.538   0.253
  695   HD12  ILE  91          HD12      ILE  91   4.300  -2.180  -0.353
  696   HD13  ILE  91          HD13      ILE  91   2.903  -1.121  -0.139
  697    H    LYS  92           HN       LYS  92   2.125   1.958  -5.430
  698    HA   LYS  92           HA       LYS  92   1.167   4.328  -4.156
  699    HB2  LYS  92           HB2      LYS  92   2.314   6.002  -5.180
  700    HB3  LYS  92           HB1      LYS  92   3.572   4.772  -5.319
  701    HG2  LYS  92           HG2      LYS  92   1.576   5.497  -7.458
  702    HG3  LYS  92           HG1      LYS  92   3.245   6.046  -7.383
  703    HD2  LYS  92           HD2      LYS  92   4.036   3.769  -7.718
  704    HD3  LYS  92           HD1      LYS  92   2.371   3.171  -7.648
  705    HE2  LYS  92           HE2      LYS  92   1.781   4.210  -9.688
  706    HE3  LYS  92           HE1      LYS  92   3.190   5.256  -9.621
  707    HZ1  LYS  92           HZ1      LYS  92   3.439   3.582 -11.302
  708    HZ2  LYS  92           HZ2      LYS  92   3.268   2.369 -10.139
  709    HZ3  LYS  92           HZ3      LYS  92   4.613   3.390 -10.086
  710    H    GLN  93           HN       GLN  93  -0.387   5.529  -5.637
  711    HA   GLN  93           HA       GLN  93  -1.798   3.550  -7.193
  712    HB2  GLN  93           HB2      GLN  93  -3.495   5.258  -7.591
  713    HB3  GLN  93           HB1      GLN  93  -3.171   5.006  -5.868
  714    HG2  GLN  93           HG2      GLN  93  -1.727   6.972  -5.883
  715    HG3  GLN  93           HG1      GLN  93  -2.140   7.260  -7.571
  716   HE21  GLN  93          HE21      GLN  93  -2.814   8.226  -4.546
  717   HE22  GLN  93          HE22      GLN  93  -4.436   8.781  -4.755
  718    H    ILE  94           HN       ILE  94  -2.592   4.069  -9.321
  719    HA   ILE  94           HA       ILE  94  -0.434   5.254 -10.922
  720    HB   ILE  94           HB       ILE  94  -1.041   3.455 -12.543
  721   HG12  ILE  94          HG12      ILE  94  -2.564   2.484 -10.121
  722   HG13  ILE  94          HG11      ILE  94  -3.238   2.960 -11.674
  723   HG21  ILE  94          HG21      ILE  94  -0.083   1.626 -10.824
  724   HG22  ILE  94          HG22      ILE  94   0.288   3.105  -9.937
  725   HG23  ILE  94          HG23      ILE  94   0.917   2.874 -11.570
  726   HD11  ILE  94          HD11      ILE  94  -2.368   0.430 -10.794
  727   HD12  ILE  94          HD12      ILE  94  -1.358   0.923 -12.153
  728   HD13  ILE  94          HD13      ILE  94  -3.113   0.864 -12.330
  Start of MODEL   18
    1    H    ASP   1           HT1      ASP   1  13.732   2.312  -1.147
    2    HA   ASP   1           HA       ASP   1  14.318   2.551  -3.534
    3    HB2  ASP   1           HB2      ASP   1  16.387   3.870  -3.074
    4    HB3  ASP   1           HB1      ASP   1  17.133   2.421  -2.410
    5    H    ASN   2           HN       ASN   2  16.823   0.715  -1.788
    6    HA   ASN   2           HA       ASN   2  15.296  -1.629  -1.457
    7    HB2  ASN   2           HB2      ASN   2  15.417  -1.711  -3.929
    8    HB3  ASN   2           HB1      ASN   2  17.176  -1.737  -3.826
    9   HD21  ASN   2          HD21      ASN   2  17.994  -3.686  -4.083
   10   HD22  ASN   2          HD22      ASN   2  17.266  -5.172  -3.582
   11    H    GLN   3           HN       GLN   3  18.403  -0.068  -1.696
   12    HA   GLN   3           HA       GLN   3  20.114  -2.094  -0.907
   13    HB2  GLN   3           HB2      GLN   3  20.314   0.827  -0.132
   14    HB3  GLN   3           HB1      GLN   3  21.624  -0.338  -0.059
   15    HG2  GLN   3           HG2      GLN   3  21.924   1.020  -1.992
   16    HG3  GLN   3           HG1      GLN   3  21.461  -0.596  -2.523
   17   HE21  GLN   3          HE21      GLN   3  20.131  -0.550  -4.178
   18   HE22  GLN   3          HE22      GLN   3  18.892   0.627  -4.463
   19    H    LYS   4           HN       LYS   4  19.060   0.468   1.313
   20    HA   LYS   4           HA       LYS   4  18.908  -1.562   3.447
   21    HB2  LYS   4           HB2      LYS   4  20.634   0.137   3.892
   22    HB3  LYS   4           HB1      LYS   4  19.433   1.411   3.718
   23    HG2  LYS   4           HG2      LYS   4  18.228   0.543   5.661
   24    HG3  LYS   4           HG1      LYS   4  19.429  -0.739   5.831
   25    HD2  LYS   4           HD2      LYS   4  21.166   0.934   6.219
   26    HD3  LYS   4           HD1      LYS   4  19.977   2.223   6.023
   27    HE2  LYS   4           HE2      LYS   4  20.420   1.772   8.385
   28    HE3  LYS   4           HE1      LYS   4  18.748   1.408   7.962
   29    HZ1  LYS   4           HZ1      LYS   4  20.962  -0.516   8.421
   30    HZ2  LYS   4           HZ2      LYS   4  19.476  -0.972   7.737
   31    HZ3  LYS   4           HZ3      LYS   4  19.530  -0.347   9.316
   32    H    ALA   5           HN       ALA   5  17.335   0.941   1.673
   33    HA   ALA   5           HA       ALA   5  15.200   1.697   1.563
   34    HB1  ALA   5           HB1      ALA   5  13.491   0.194   1.816
   35    HB2  ALA   5           HB2      ALA   5  14.163  -0.486   3.299
   36    HB3  ALA   5           HB3      ALA   5  14.864  -0.913   1.737
   37    H    LEU   6           HN       LEU   6  16.962   2.523   3.713
   38    HA   LEU   6           HA       LEU   6  15.505   2.747   6.143
   39    HB2  LEU   6           HB2      LEU   6  17.960   2.915   6.014
   40    HB3  LEU   6           HB1      LEU   6  17.807   4.408   5.109
   41    HG   LEU   6           HG       LEU   6  16.732   5.466   7.067
   42   HD11  LEU   6          HD11      LEU   6  16.758   2.725   8.032
   43   HD12  LEU   6          HD12      LEU   6  15.805   4.109   8.568
   44   HD13  LEU   6          HD13      LEU   6  17.436   3.868   9.194
   45   HD21  LEU   6          HD21      LEU   6  18.842   5.262   8.570
   46   HD22  LEU   6          HD22      LEU   6  18.973   5.980   6.965
   47   HD23  LEU   6          HD23      LEU   6  19.480   4.311   7.229
   48    H    GLU   7           HN       GLU   7  15.794   4.724   3.268
   49    HA   GLU   7           HA       GLU   7  14.497   7.036   4.301
   50    HB2  GLU   7           HB2      GLU   7  14.727   6.097   1.433
   51    HB3  GLU   7           HB1      GLU   7  14.348   7.730   1.966
   52    HG2  GLU   7           HG2      GLU   7  16.549   7.935   2.973
   53    HG3  GLU   7           HG1      GLU   7  16.933   6.283   2.494
   54    H    GLU   8           HN       GLU   8  13.427   4.008   3.025
   55    HA   GLU   8           HA       GLU   8  10.732   4.777   2.509
   56    HB2  GLU   8           HB2      GLU   8  11.957   2.043   2.929
   57    HB3  GLU   8           HB1      GLU   8  10.335   2.354   2.322
   58    HG2  GLU   8           HG2      GLU   8  11.262   3.467   0.370
   59    HG3  GLU   8           HG1      GLU   8  12.893   3.201   0.981
   60    H    GLN   9           HN       GLN   9  12.593   3.954   5.259
   61    HA   GLN   9           HA       GLN   9  10.281   3.233   6.873
   62    HB2  GLN   9           HB2      GLN   9  13.128   3.655   7.796
   63    HB3  GLN   9           HB1      GLN   9  11.849   2.785   8.632
   64    HG2  GLN   9           HG2      GLN   9  13.291   1.966   6.127
   65    HG3  GLN   9           HG1      GLN   9  13.342   1.187   7.708
   66   HE21  GLN   9          HE21      GLN   9  12.081   1.039   4.693
   67   HE22  GLN   9          HE22      GLN   9  10.697   0.040   5.007
   68    H    MET  10           HN       MET  10  11.084   6.040   5.670
   69    HA   MET  10           HA       MET  10  10.947   7.526   8.212
   70    HB2  MET  10           HB2      MET  10  11.689   8.502   5.447
   71    HB3  MET  10           HB1      MET  10  11.709   9.471   6.913
   72    HG2  MET  10           HG2      MET  10  13.460   8.055   7.839
   73    HG3  MET  10           HG1      MET  10  13.423   7.048   6.390
   74    HE1  MET  10           HE1      MET  10  16.680   9.070   6.883
   75    HE2  MET  10           HE2      MET  10  16.481   7.936   5.546
   76    HE3  MET  10           HE3      MET  10  15.820   7.551   7.135
   77    H    ASN  11           HN       ASN  11   9.922   8.416   4.950
   78    HA   ASN  11           HA       ASN  11   7.243   9.053   6.005
   79    HB2  ASN  11           HB2      ASN  11   6.939  10.284   3.840
   80    HB3  ASN  11           HB1      ASN  11   8.118  11.018   4.947
   81   HD21  ASN  11          HD21      ASN  11   7.525  10.415   1.833
   82   HD22  ASN  11          HD22      ASN  11   9.134  10.241   1.222
   83    H    SER  12           HN       SER  12   9.053   7.527   3.531
   84    HA   SER  12           HA       SER  12   7.454   7.102   1.567
   85    HB2  SER  12           HB2      SER  12   9.739   6.194   1.710
   86    HB3  SER  12           HB1      SER  12   9.163   4.943   2.826
   87    HG   SER  12           HG       SER  12   9.061   5.054   0.077
   88    H    ILE  13           HN       ILE  13   7.654   4.530   3.969
   89    HA   ILE  13           HA       ILE  13   5.181   3.354   3.064
   90    HB   ILE  13           HB       ILE  13   7.129   2.529   5.221
   91   HG12  ILE  13          HG12      ILE  13   6.906   1.708   2.326
   92   HG13  ILE  13          HG11      ILE  13   8.141   2.777   3.041
   93   HG21  ILE  13          HG21      ILE  13   5.439   0.555   3.776
   94   HG22  ILE  13          HG22      ILE  13   4.658   1.533   5.021
   95   HG23  ILE  13          HG23      ILE  13   6.044   0.522   5.432
   96   HD11  ILE  13          HD11      ILE  13   8.403   0.090   2.640
   97   HD12  ILE  13          HD12      ILE  13   7.909   0.158   4.333
   98   HD13  ILE  13          HD13      ILE  13   9.338   1.041   3.795
   99    H    ASN  14           HN       ASN  14   6.011   5.669   5.254
  100    HA   ASN  14           HA       ASN  14   3.901   5.022   7.172
  101    HB2  ASN  14           HB2      ASN  14   5.789   7.382   7.080
  102    HB3  ASN  14           HB1      ASN  14   4.572   7.116   8.321
  103   HD21  ASN  14          HD21      ASN  14   5.317   6.247  10.100
  104   HD22  ASN  14          HD22      ASN  14   6.667   5.176  10.229
  105    H    SER  15           HN       SER  15   4.679   7.813   5.070
  106    HA   SER  15           HA       SER  15   2.148   9.004   5.396
  107    HB2  SER  15           HB2      SER  15   2.776  10.510   3.588
  108    HB3  SER  15           HB1      SER  15   4.104  10.316   4.733
  109    HG   SER  15           HG       SER  15   4.991   8.749   3.252
  110    H    VAL  16           HN       VAL  16   3.185   6.383   3.433
  111    HA   VAL  16           HA       VAL  16   1.386   6.604   1.284
  112    HB   VAL  16           HB       VAL  16   3.192   4.924   1.283
  113   HG11  VAL  16          HG11      VAL  16   3.117   2.938   2.573
  114   HG12  VAL  16          HG12      VAL  16   1.556   3.382   3.261
  115   HG13  VAL  16          HG13      VAL  16   2.998   4.311   3.672
  116   HG21  VAL  16          HG21      VAL  16   0.970   4.648  -0.006
  117   HG22  VAL  16          HG22      VAL  16   0.613   3.382   1.179
  118   HG23  VAL  16          HG23      VAL  16   2.038   3.250   0.137
  119    H    ASN  17           HN       ASN  17   1.088   5.666   4.551
  120    HA   ASN  17           HA       ASN  17  -1.519   4.464   4.324
  121    HB2  ASN  17           HB2      ASN  17   0.051   5.361   6.753
  122    HB3  ASN  17           HB1      ASN  17  -1.460   4.457   6.808
  123   HD21  ASN  17          HD21      ASN  17  -0.030   3.306   4.159
  124   HD22  ASN  17          HD22      ASN  17   0.879   1.997   4.822
  125    H    ASP  18           HN       ASP  18  -0.181   7.584   5.118
  126    HA   ASP  18           HA       ASP  18  -2.492   8.801   6.150
  127    HB2  ASP  18           HB2      ASP  18  -0.067   9.877   4.711
  128    HB3  ASP  18           HB1      ASP  18  -1.313  10.909   5.365
  129    H    LYS  19           HN       LYS  19  -1.770   7.767   2.978
  130    HA   LYS  19           HA       LYS  19  -3.439   9.722   1.650
  131    HB2  LYS  19           HB2      LYS  19  -2.202   7.233   0.581
  132    HB3  LYS  19           HB1      LYS  19  -2.829   8.605  -0.344
  133    HG2  LYS  19           HG2      LYS  19  -1.174  10.048   0.419
  134    HG3  LYS  19           HG1      LYS  19  -0.678   8.922   1.703
  135    HD2  LYS  19           HD2      LYS  19  -0.185   7.333  -0.208
  136    HD3  LYS  19           HD1      LYS  19  -0.224   8.779  -1.226
  137    HE2  LYS  19           HE2      LYS  19   1.380   8.506   1.285
  138    HE3  LYS  19           HE1      LYS  19   2.063   8.222  -0.332
  139    HZ1  LYS  19           HZ1      LYS  19   1.211  10.587  -0.810
  140    HZ2  LYS  19           HZ2      LYS  19   2.607  10.429   0.145
  141    HZ3  LYS  19           HZ3      LYS  19   1.109  10.756   0.878
  142    H    LEU  20           HN       LEU  20  -3.277   6.434   2.525
  143    HA   LEU  20           HA       LEU  20  -5.654   5.503   1.314
  144    HB2  LEU  20           HB2      LEU  20  -3.886   4.388   3.481
  145    HB3  LEU  20           HB1      LEU  20  -5.071   3.458   2.564
  146    HG   LEU  20           HG       LEU  20  -2.661   4.817   1.342
  147   HD11  LEU  20          HD11      LEU  20  -2.609   1.962   1.200
  148   HD12  LEU  20          HD12      LEU  20  -2.740   2.476   2.882
  149   HD13  LEU  20          HD13      LEU  20  -1.417   3.072   1.879
  150   HD21  LEU  20          HD21      LEU  20  -4.571   4.526  -0.174
  151   HD22  LEU  20          HD22      LEU  20  -4.588   2.801   0.192
  152   HD23  LEU  20          HD23      LEU  20  -3.201   3.515  -0.630
  153    H    ASN  21           HN       ASN  21  -4.643   6.512   4.490
  154    HA   ASN  21           HA       ASN  21  -7.061   5.832   5.826
  155    HB2  ASN  21           HB2      ASN  21  -4.595   7.385   6.567
  156    HB3  ASN  21           HB1      ASN  21  -5.999   7.394   7.636
  157   HD21  ASN  21          HD21      ASN  21  -3.108   6.028   7.244
  158   HD22  ASN  21          HD22      ASN  21  -3.398   4.455   7.939
  159    H    LYS  22           HN       LYS  22  -8.833   6.892   4.850
  160    HA   LYS  22           HA       LYS  22  -8.461   9.814   4.551
  161    HB2  LYS  22           HB2      LYS  22 -10.288   8.054   2.921
  162    HB3  LYS  22           HB1      LYS  22  -9.873   9.746   2.615
  163    HG2  LYS  22           HG2      LYS  22  -7.477   8.979   2.365
  164    HG3  LYS  22           HG1      LYS  22  -8.104   7.329   2.378
  165    HD2  LYS  22           HD2      LYS  22  -7.833   8.066   0.095
  166    HD3  LYS  22           HD1      LYS  22  -9.548   7.886   0.461
  167    HE2  LYS  22           HE2      LYS  22  -9.090   9.940  -0.809
  168    HE3  LYS  22           HE1      LYS  22  -9.768  10.280   0.784
  169    HZ1  LYS  22           HZ1      LYS  22  -6.958  10.597  -0.114
  170    HZ2  LYS  22           HZ2      LYS  22  -7.385  10.596   1.530
  171    HZ3  LYS  22           HZ3      LYS  22  -8.008  11.786   0.492
  172    H    GLY  23           HN       GLY  23 -11.004   7.430   5.302
  173    HA2  GLY  23           HA2      GLY  23 -12.304   8.786   7.248
  174    HA3  GLY  23           HA1      GLY  23 -12.892   9.503   5.738
  175    H    LYS  24           HN       LYS  24 -13.658   7.855   4.070
  176    HA   LYS  24           HA       LYS  24 -15.769   6.307   5.091
  177    HB2  LYS  24           HB2      LYS  24 -15.546   7.056   2.691
  178    HB3  LYS  24           HB1      LYS  24 -14.295   5.818   2.466
  179    HG2  LYS  24           HG2      LYS  24 -16.249   4.889   1.603
  180    HG3  LYS  24           HG1      LYS  24 -16.039   4.130   3.186
  181    HD2  LYS  24           HD2      LYS  24 -17.669   5.647   4.155
  182    HD3  LYS  24           HD1      LYS  24 -17.843   6.489   2.613
  183    HE2  LYS  24           HE2      LYS  24 -18.632   3.654   3.271
  184    HE3  LYS  24           HE1      LYS  24 -19.677   5.008   2.839
  185    HZ1  LYS  24           HZ1      LYS  24 -17.925   3.406   1.099
  186    HZ2  LYS  24           HZ2      LYS  24 -18.326   5.001   0.659
  187    HZ3  LYS  24           HZ3      LYS  24 -19.550   3.850   0.879
  188    H    GLY  25           HN       GLY  25 -12.838   5.110   3.525
  189    HA2  GLY  25           HA2      GLY  25 -12.461   3.210   5.674
  190    HA3  GLY  25           HA1      GLY  25 -12.519   2.565   4.059
  191    H    LYS  26           HN       LYS  26 -10.378   2.380   5.821
  192    HA   LYS  26           HA       LYS  26  -8.390   4.079   4.457
  193    HB2  LYS  26           HB2      LYS  26  -7.441   4.232   6.841
  194    HB3  LYS  26           HB1      LYS  26  -8.827   5.235   6.393
  195    HG2  LYS  26           HG2      LYS  26 -10.245   3.352   7.223
  196    HG3  LYS  26           HG1      LYS  26  -8.778   2.681   7.947
  197    HD2  LYS  26           HD2      LYS  26  -9.990   3.970   9.614
  198    HD3  LYS  26           HD1      LYS  26  -8.483   4.793   9.213
  199    HE2  LYS  26           HE2      LYS  26 -11.045   5.487   7.826
  200    HE3  LYS  26           HE1      LYS  26 -10.658   6.183   9.407
  201    HZ1  LYS  26           HZ1      LYS  26  -8.482   6.883   8.301
  202    HZ2  LYS  26           HZ2      LYS  26  -9.888   7.733   7.874
  203    HZ3  LYS  26           HZ3      LYS  26  -9.261   6.555   6.831
  204    H    LEU  27           HN       LEU  27  -6.162   3.419   4.750
  205    HA   LEU  27           HA       LEU  27  -5.802   0.592   5.399
  206    HB2  LEU  27           HB2      LEU  27  -6.209   0.554   3.124
  207    HB3  LEU  27           HB1      LEU  27  -5.144   1.941   2.811
  208    HG   LEU  27           HG       LEU  27  -3.197   0.559   3.403
  209   HD11  LEU  27          HD11      LEU  27  -5.152  -1.167   4.503
  210   HD12  LEU  27          HD12      LEU  27  -3.402  -1.390   4.478
  211   HD13  LEU  27          HD13      LEU  27  -4.393  -2.040   3.174
  212   HD21  LEU  27          HD21      LEU  27  -4.186  -1.251   1.430
  213   HD22  LEU  27          HD22      LEU  27  -3.077   0.107   1.238
  214   HD23  LEU  27          HD23      LEU  27  -4.817   0.361   1.097
  215    H    SER  28           HN       SER  28  -3.833  -0.003   6.089
  216    HA   SER  28           HA       SER  28  -1.691   1.986   6.306
  217    HB2  SER  28           HB2      SER  28  -2.700   0.173   8.517
  218    HB3  SER  28           HB1      SER  28  -1.303   1.244   8.640
  219    HG   SER  28           HG       SER  28  -4.023   1.849   8.679
  220    H    LEU  29           HN       LEU  29   0.411   1.042   6.468
  221    HA   LEU  29           HA       LEU  29   0.561  -1.854   6.137
  222    HB2  LEU  29           HB2      LEU  29   2.119   0.003   4.341
  223    HB3  LEU  29           HB1      LEU  29   1.998  -1.773   4.272
  224    HG   LEU  29           HG       LEU  29  -0.398  -0.010   3.820
  225   HD11  LEU  29          HD11      LEU  29   0.323  -0.888   1.340
  226   HD12  LEU  29          HD12      LEU  29   1.895  -0.525   2.053
  227   HD13  LEU  29          HD13      LEU  29   0.656   0.727   1.965
  228   HD21  LEU  29          HD21      LEU  29  -0.971  -2.094   2.426
  229   HD22  LEU  29          HD22      LEU  29  -1.083  -2.198   4.183
  230   HD23  LEU  29          HD23      LEU  29   0.313  -2.878   3.346
  231    H    SER  30           HN       SER  30   2.345  -2.708   7.133
  232    HA   SER  30           HA       SER  30   4.596  -1.001   7.772
  233    HB2  SER  30           HB2      SER  30   3.029  -2.417   9.952
  234    HB3  SER  30           HB1      SER  30   4.579  -1.605  10.174
  235    HG   SER  30           HG       SER  30   3.397   0.303   9.250
  236    H    MET  31           HN       MET  31   6.174  -2.531   9.192
  237    HA   MET  31           HA       MET  31   6.041  -5.265   8.117
  238    HB2  MET  31           HB2      MET  31   8.453  -5.176   7.538
  239    HB3  MET  31           HB1      MET  31   7.437  -4.129   6.523
  240    HG2  MET  31           HG2      MET  31   8.148  -2.191   7.846
  241    HG3  MET  31           HG1      MET  31   9.171  -3.240   8.827
  242    HE1  MET  31           HE1      MET  31   8.949  -3.643   4.695
  243    HE2  MET  31           HE2      MET  31   9.739  -2.088   4.440
  244    HE3  MET  31           HE3      MET  31   8.229  -2.171   5.347
  245    H    ASN  32           HN       ASN  32   6.411  -6.693   9.535
  246    HA   ASN  32           HA       ASN  32   7.516  -5.969  12.145
  247    HB2  ASN  32           HB2      ASN  32   5.397  -7.315  11.995
  248    HB3  ASN  32           HB1      ASN  32   6.315  -8.597  11.185
  249   HD21  ASN  32          HD21      ASN  32   5.099  -7.617  14.062
  250   HD22  ASN  32          HD22      ASN  32   6.136  -8.512  15.138
  251    H    GLY  33           HN       GLY  33   9.639  -5.671  11.519
  252    HA2  GLY  33           HA2      GLY  33  11.856  -6.453  11.193
  253    HA3  GLY  33           HA1      GLY  33  11.194  -8.069  10.839
  254    H    ASN  34           HN       ASN  34  10.739  -8.616   8.772
  255    HA   ASN  34           HA       ASN  34  10.801  -6.479   6.736
  256    HB2  ASN  34           HB2      ASN  34  11.881  -9.295   6.477
  257    HB3  ASN  34           HB1      ASN  34  11.610  -8.228   5.108
  258   HD21  ASN  34          HD21      ASN  34  12.510  -6.213   7.500
  259   HD22  ASN  34          HD22      ASN  34  14.232  -6.192   7.238
  260    H    GLN  35           HN       GLN  35   8.805  -8.177   8.397
  261    HA   GLN  35           HA       GLN  35   7.316  -9.587   6.357
  262    HB2  GLN  35           HB2      GLN  35   6.741  -9.061   9.263
  263    HB3  GLN  35           HB1      GLN  35   5.839 -10.179   8.235
  264    HG2  GLN  35           HG2      GLN  35   7.846 -11.521   7.901
  265    HG3  GLN  35           HG1      GLN  35   8.764 -10.418   8.922
  266   HE21  GLN  35          HE21      GLN  35   5.804 -10.528  10.261
  267   HE22  GLN  35          HE22      GLN  35   6.028 -11.820  11.401
  268    H    LEU  36           HN       LEU  36   5.697  -8.775   5.227
  269    HA   LEU  36           HA       LEU  36   4.871  -6.065   5.649
  270    HB2  LEU  36           HB2      LEU  36   5.266  -6.928   3.484
  271    HB3  LEU  36           HB1      LEU  36   4.044  -8.186   3.675
  272    HG   LEU  36           HG       LEU  36   3.385  -6.336   2.150
  273   HD11  LEU  36          HD11      LEU  36   1.410  -7.188   2.739
  274   HD12  LEU  36          HD12      LEU  36   1.247  -5.735   3.728
  275   HD13  LEU  36          HD13      LEU  36   1.830  -7.234   4.452
  276   HD21  LEU  36          HD21      LEU  36   2.733  -4.166   3.129
  277   HD22  LEU  36          HD22      LEU  36   4.470  -4.466   3.201
  278   HD23  LEU  36          HD23      LEU  36   3.482  -4.655   4.650
  279    H    LYS  37           HN       LYS  37   3.284  -5.349   6.775
  280    HA   LYS  37           HA       LYS  37   1.070  -7.138   7.514
  281    HB2  LYS  37           HB2      LYS  37   2.578  -5.264   9.367
  282    HB3  LYS  37           HB1      LYS  37   1.267  -6.378   9.822
  283    HG2  LYS  37           HG2      LYS  37   3.933  -7.239   8.677
  284    HG3  LYS  37           HG1      LYS  37   3.548  -7.194  10.418
  285    HD2  LYS  37           HD2      LYS  37   1.695  -8.782  10.006
  286    HD3  LYS  37           HD1      LYS  37   2.151  -8.825   8.309
  287    HE2  LYS  37           HE2      LYS  37   4.365  -9.666   8.944
  288    HE3  LYS  37           HE1      LYS  37   3.837  -9.719  10.627
  289    HZ1  LYS  37           HZ1      LYS  37   2.124 -11.090   8.717
  290    HZ2  LYS  37           HZ2      LYS  37   2.614 -11.563  10.274
  291    HZ3  LYS  37           HZ3      LYS  37   3.659 -11.784   8.948
  292    H    ALA  38           HN       ALA  38  -0.579  -6.179   6.486
  293    HA   ALA  38           HA       ALA  38  -0.850  -3.277   6.460
  294    HB1  ALA  38           HB1      ALA  38  -2.527  -5.361   5.062
  295    HB2  ALA  38           HB2      ALA  38  -1.105  -4.586   4.361
  296    HB3  ALA  38           HB3      ALA  38  -2.526  -3.622   4.767
  297    H    THR  39           HN       THR  39  -2.734  -2.240   7.039
  298    HA   THR  39           HA       THR  39  -4.721  -3.722   8.546
  299    HB   THR  39           HB       THR  39  -4.650  -1.793  10.258
  300    HG1  THR  39           HG1      THR  39  -1.945  -1.703   9.437
  301   HG21  THR  39          HG21      THR  39  -3.001  -4.207  10.148
  302   HG22  THR  39          HG22      THR  39  -4.094  -3.628  11.406
  303   HG23  THR  39          HG23      THR  39  -2.456  -2.982  11.293
  304    H    SER  40           HN       SER  40  -6.640  -3.146   7.967
  305    HA   SER  40           HA       SER  40  -7.142  -0.464   6.777
  306    HB2  SER  40           HB2      SER  40  -9.219  -1.549   5.889
  307    HB3  SER  40           HB1      SER  40  -7.713  -2.143   5.188
  308    HG   SER  40           HG       SER  40  -8.059  -3.749   7.144
  309    H    SER  41           HN       SER  41  -8.348   0.818   7.959
  310    HA   SER  41           HA       SER  41  -9.563  -0.366  10.350
  311    HB2  SER  41           HB2      SER  41  -8.114   1.551  10.797
  312    HB3  SER  41           HB1      SER  41  -9.045   2.546   9.678
  313    HG   SER  41           HG       SER  41  -9.508   2.677  12.060
  314    H    ASN  42           HN       ASN  42 -11.686   0.672  10.983
  315    HA   ASN  42           HA       ASN  42 -13.892   0.752  10.711
  316    HB2  ASN  42           HB2      ASN  42 -14.915   2.042   8.910
  317    HB3  ASN  42           HB1      ASN  42 -13.490   2.886   9.604
  318   HD21  ASN  42          HD21      ASN  42 -12.281   3.806   8.321
  319   HD22  ASN  42          HD22      ASN  42 -12.015   3.404   6.645
  320    H    ALA  43           HN       ALA  43 -12.091  -1.323   9.307
  321    HA   ALA  43           HA       ALA  43 -12.354  -3.323   8.206
  322    HB1  ALA  43           HB1      ALA  43 -13.081  -3.634  10.493
  323    HB2  ALA  43           HB2      ALA  43 -13.982  -4.680   9.393
  324    HB3  ALA  43           HB3      ALA  43 -14.735  -3.221  10.037
  325    H    GLY  44           HN       GLY  44 -13.079  -1.945   6.097
  326    HA2  GLY  44           HA2      GLY  44 -14.044  -3.188   4.266
  327    HA3  GLY  44           HA1      GLY  44 -15.496  -3.414   5.277
  328    H    TYR  45           HN       TYR  45 -13.786  -0.363   4.762
  329    HA   TYR  45           HA       TYR  45 -15.950   0.441   2.959
  330    HB2  TYR  45           HB2      TYR  45 -14.632   2.200   5.054
  331    HB3  TYR  45           HB1      TYR  45 -15.709   2.782   3.771
  332    HD1  TYR  45           HD1      TYR  45 -17.677   3.561   4.844
  333    HD2  TYR  45           HD2      TYR  45 -15.985  -0.141   6.113
  334    HE1  TYR  45           HE1      TYR  45 -19.569   3.214   6.356
  335    HE2  TYR  45           HE2      TYR  45 -17.884  -0.489   7.622
  336    HH   TYR  45           HH       TYR  45 -20.571   0.599   7.491
  337    H    GLY  46           HN       GLY  46 -15.250   1.955   1.308
  338    HA2  GLY  46           HA2      GLY  46 -12.379   1.634   0.708
  339    HA3  GLY  46           HA1      GLY  46 -13.641   2.016  -0.462
  340    H    ILE  47           HN       ILE  47 -12.080   3.730  -1.084
  341    HA   ILE  47           HA       ILE  47 -11.340   5.926   0.490
  342    HB   ILE  47           HB       ILE  47 -12.315   6.064  -2.336
  343   HG12  ILE  47          HG12      ILE  47 -10.664   4.323  -2.174
  344   HG13  ILE  47          HG11      ILE  47 -10.025   5.742  -3.002
  345   HG21  ILE  47          HG21      ILE  47 -10.917   7.927  -0.545
  346   HG22  ILE  47          HG22      ILE  47 -11.969   8.249  -1.923
  347   HG23  ILE  47          HG23      ILE  47 -10.277   7.823  -2.184
  348   HD11  ILE  47          HD11      ILE  47  -8.378   5.967  -1.519
  349   HD12  ILE  47          HD12      ILE  47  -8.816   4.343  -0.981
  350   HD13  ILE  47          HD13      ILE  47  -9.472   5.758  -0.154
  351    H    SER  48           HN       SER  48 -13.949   5.595  -1.766
  352    HA   SER  48           HA       SER  48 -16.093   6.701  -0.340
  353    HB2  SER  48           HB2      SER  48 -16.122   8.964  -1.329
  354    HB3  SER  48           HB1      SER  48 -14.662   8.707  -0.341
  355    HG   SER  48           HG       SER  48 -14.572   9.639  -2.670
  356    H    TYR  49           HN       TYR  49 -17.380   8.040  -2.424
  357    HA   TYR  49           HA       TYR  49 -17.834   5.890  -4.297
  358    HB2  TYR  49           HB2      TYR  49 -19.447   7.678  -5.297
  359    HB3  TYR  49           HB1      TYR  49 -19.851   6.832  -3.798
  360    HD1  TYR  49           HD1      TYR  49 -17.780   9.875  -4.655
  361    HD2  TYR  49           HD2      TYR  49 -20.918   8.245  -2.251
  362    HE1  TYR  49           HE1      TYR  49 -18.023  12.021  -3.492
  363    HE2  TYR  49           HE2      TYR  49 -21.149  10.380  -1.104
  364    HH   TYR  49           HH       TYR  49 -19.645  13.258  -2.205
  365    H    GLU  50           HN       GLU  50 -15.758   5.869  -5.138
  366    HA   GLU  50           HA       GLU  50 -15.520   7.532  -7.503
  367    HB2  GLU  50           HB2      GLU  50 -13.479   7.372  -5.317
  368    HB3  GLU  50           HB1      GLU  50 -12.936   7.574  -6.969
  369    HG2  GLU  50           HG2      GLU  50 -14.812   9.402  -5.482
  370    HG3  GLU  50           HG1      GLU  50 -13.095   9.668  -5.790
  371    H    ASP  51           HN       ASP  51 -13.108   6.580  -8.430
  372    HA   ASP  51           HA       ASP  51 -13.099   3.745  -7.937
  373    HB2  ASP  51           HB2      ASP  51 -13.015   3.014 -10.211
  374    HB3  ASP  51           HB1      ASP  51 -14.461   4.002  -9.974
  375    H    LYS  52           HN       LYS  52 -11.155   2.876  -7.807
  376    HA   LYS  52           HA       LYS  52  -8.844   4.605  -8.335
  377    HB2  LYS  52           HB2      LYS  52  -9.573   3.227  -5.750
  378    HB3  LYS  52           HB1      LYS  52  -8.015   3.954  -6.069
  379    HG2  LYS  52           HG2      LYS  52  -9.233   5.443  -4.703
  380    HG3  LYS  52           HG1      LYS  52  -9.153   6.146  -6.307
  381    HD2  LYS  52           HD2      LYS  52 -11.355   6.475  -5.313
  382    HD3  LYS  52           HD1      LYS  52 -11.461   5.443  -6.737
  383    HE2  LYS  52           HE2      LYS  52 -11.620   3.472  -5.345
  384    HE3  LYS  52           HE1      LYS  52 -11.361   4.436  -3.895
  385    HZ1  LYS  52           HZ1      LYS  52 -13.757   4.323  -5.630
  386    HZ2  LYS  52           HZ2      LYS  52 -13.482   5.644  -4.610
  387    HZ3  LYS  52           HZ3      LYS  52 -13.644   4.091  -3.952
  388    H    ASN  53           HN       ASN  53  -7.161   3.535  -9.181
  389    HA   ASN  53           HA       ASN  53  -7.023   0.635  -8.704
  390    HB2  ASN  53           HB2      ASN  53  -6.259   2.148 -11.200
  391    HB3  ASN  53           HB1      ASN  53  -5.674   0.510 -10.853
  392   HD21  ASN  53          HD21      ASN  53  -8.742   0.881  -9.542
  393   HD22  ASN  53          HD22      ASN  53  -9.630   0.147 -10.847
  394    H    TRP  54           HN       TRP  54  -5.144  -0.186  -7.995
  395    HA   TRP  54           HA       TRP  54  -3.053   1.793  -7.398
  396    HB2  TRP  54           HB2      TRP  54  -4.681   0.210  -5.648
  397    HB3  TRP  54           HB1      TRP  54  -2.975  -0.273  -5.483
  398    HD1  TRP  54           HD1      TRP  54  -5.005   3.066  -5.430
  399    HE1  TRP  54           HE1      TRP  54  -3.786   4.618  -3.765
  400    HE3  TRP  54           HE3      TRP  54  -1.136   0.023  -4.247
  401    HZ2  TRP  54           HZ2      TRP  54  -1.412   4.521  -2.194
  402    HZ3  TRP  54           HZ3      TRP  54   0.549   0.805  -2.672
  403    HH2  TRP  54           HH2      TRP  54   0.406   3.001  -1.659
  404    H    GLY  55           HN       GLY  55  -0.914   0.937  -6.913
  405    HA2  GLY  55           HA2      GLY  55  -0.452  -1.758  -7.939
  406    HA3  GLY  55           HA1      GLY  55   0.450  -0.443  -8.686
  407    H    ILE  56           HN       ILE  56   1.462  -2.636  -7.464
  408    HA   ILE  56           HA       ILE  56   3.269  -1.485  -5.439
  409    HB   ILE  56           HB       ILE  56   2.056  -4.286  -5.256
  410   HG12  ILE  56          HG12      ILE  56   1.535  -1.903  -3.447
  411   HG13  ILE  56          HG11      ILE  56   0.393  -2.538  -4.657
  412   HG21  ILE  56          HG21      ILE  56   4.119  -2.798  -3.688
  413   HG22  ILE  56          HG22      ILE  56   4.152  -4.448  -4.310
  414   HG23  ILE  56          HG23      ILE  56   3.149  -4.052  -2.915
  415   HD11  ILE  56          HD11      ILE  56   1.110  -3.566  -1.987
  416   HD12  ILE  56          HD12      ILE  56   0.881  -4.775  -3.252
  417   HD13  ILE  56          HD13      ILE  56  -0.415  -3.642  -2.871
  418    H    PHE  57           HN       PHE  57   5.110  -1.549  -6.683
  419    HA   PHE  57           HA       PHE  57   5.312  -3.747  -8.602
  420    HB2  PHE  57           HB2      PHE  57   6.914  -1.180  -8.639
  421    HB3  PHE  57           HB1      PHE  57   6.744  -2.369  -9.943
  422    HD1  PHE  57           HD1      PHE  57   5.180  -2.013 -11.603
  423    HD2  PHE  57           HD2      PHE  57   4.720   0.000  -7.883
  424    HE1  PHE  57           HE1      PHE  57   3.304  -0.710 -12.528
  425    HE2  PHE  57           HE2      PHE  57   2.856   1.278  -8.788
  426    HZ   PHE  57           HZ       PHE  57   2.133   0.934 -11.103
  427    H    VAL  58           HN       VAL  58   6.396  -5.392  -7.777
  428    HA   VAL  58           HA       VAL  58   8.982  -4.918  -6.482
  429    HB   VAL  58           HB       VAL  58   7.390  -7.475  -6.813
  430   HG11  VAL  58          HG11      VAL  58   9.775  -7.489  -5.094
  431   HG12  VAL  58          HG12      VAL  58  10.111  -7.381  -6.822
  432   HG13  VAL  58          HG13      VAL  58   9.161  -8.728  -6.191
  433   HG21  VAL  58          HG21      VAL  58   6.855  -7.293  -4.603
  434   HG22  VAL  58          HG22      VAL  58   6.986  -5.580  -4.999
  435   HG23  VAL  58          HG23      VAL  58   8.332  -6.407  -4.209
  436    H    ASN  59           HN       ASN  59  10.554  -4.585  -7.850
  437    HA   ASN  59           HA       ASN  59  11.995  -4.757  -9.584
  438    HB2  ASN  59           HB2      ASN  59  10.766  -7.506  -9.874
  439    HB3  ASN  59           HB1      ASN  59  12.149  -6.926 -10.834
  440   HD21  ASN  59          HD21      ASN  59  13.989  -7.671 -10.098
  441   HD22  ASN  59          HD22      ASN  59  14.401  -7.940  -8.441
  442    H    GLY  60           HN       GLY  60   9.745  -3.307 -10.023
  443    HA2  GLY  60           HA2      GLY  60   9.202  -2.093 -11.944
  444    HA3  GLY  60           HA1      GLY  60   9.731  -3.485 -12.907
  445    H    GLU  61           HN       GLU  61   8.042  -5.381 -11.607
  446    HA   GLU  61           HA       GLU  61   5.644  -4.719 -13.114
  447    HB2  GLU  61           HB2      GLU  61   5.118  -7.075 -13.041
  448    HB3  GLU  61           HB1      GLU  61   6.801  -6.875 -13.515
  449    HG2  GLU  61           HG2      GLU  61   7.481  -7.408 -11.194
  450    HG3  GLU  61           HG1      GLU  61   5.781  -7.675 -10.795
  451    H    LYS  62           HN       LYS  62   3.506  -5.090 -12.300
  452    HA   LYS  62           HA       LYS  62   3.185  -4.345  -9.533
  453    HB2  LYS  62           HB2      LYS  62   1.137  -5.182 -11.606
  454    HB3  LYS  62           HB1      LYS  62   0.750  -4.600  -9.971
  455    HG2  LYS  62           HG2      LYS  62   1.822  -2.458 -10.499
  456    HG3  LYS  62           HG1      LYS  62   2.145  -3.044 -12.154
  457    HD2  LYS  62           HD2      LYS  62  -0.588  -2.741 -10.887
  458    HD3  LYS  62           HD1      LYS  62   0.134  -1.624 -12.047
  459    HE2  LYS  62           HE2      LYS  62  -0.539  -4.525 -12.541
  460    HE3  LYS  62           HE1      LYS  62  -1.436  -3.131 -13.147
  461    HZ1  LYS  62           HZ1      LYS  62  -0.068  -3.829 -14.905
  462    HZ2  LYS  62           HZ2      LYS  62   1.286  -4.029 -13.907
  463    HZ3  LYS  62           HZ3      LYS  62   0.722  -2.466 -14.266
  464    H    VAL  63           HN       VAL  63   3.658  -5.807  -8.071
  465    HA   VAL  63           HA       VAL  63   3.295  -8.614  -8.524
  466    HB   VAL  63           HB       VAL  63   5.138  -7.829  -7.188
  467   HG11  VAL  63          HG11      VAL  63   3.675  -5.953  -6.131
  468   HG12  VAL  63          HG12      VAL  63   4.995  -6.664  -5.203
  469   HG13  VAL  63          HG13      VAL  63   3.332  -7.174  -4.906
  470   HG21  VAL  63          HG21      VAL  63   4.978  -9.914  -6.455
  471   HG22  VAL  63          HG22      VAL  63   3.224  -9.810  -6.287
  472   HG23  VAL  63          HG23      VAL  63   4.272  -9.223  -4.994
  473    H    TYR  64           HN       TYR  64   1.541  -5.999  -7.112
  474    HA   TYR  64           HA       TYR  64  -0.795  -7.680  -6.949
  475    HB2  TYR  64           HB2      TYR  64   0.150  -7.809  -4.648
  476    HB3  TYR  64           HB1      TYR  64   0.032  -6.037  -4.544
  477    HD1  TYR  64           HD1      TYR  64  -1.602  -5.691  -2.870
  478    HD2  TYR  64           HD2      TYR  64  -2.394  -8.446  -6.018
  479    HE1  TYR  64           HE1      TYR  64  -3.937  -5.862  -2.136
  480    HE2  TYR  64           HE2      TYR  64  -4.730  -8.616  -5.289
  481    HH   TYR  64           HH       TYR  64  -5.880  -8.039  -2.616
  482    H    THR  65           HN       THR  65  -2.586  -6.618  -7.546
  483    HA   THR  65           HA       THR  65  -2.509  -3.697  -7.692
  484    HB   THR  65           HB       THR  65  -3.871  -5.538  -9.544
  485    HG1  THR  65           HG1      THR  65  -1.817  -5.601 -10.181
  486   HG21  THR  65          HG21      THR  65  -4.248  -3.548 -10.960
  487   HG22  THR  65          HG22      THR  65  -3.692  -2.554  -9.613
  488   HG23  THR  65          HG23      THR  65  -5.155  -3.528  -9.448
  489    H    PHE  66           HN       PHE  66  -4.002  -2.756  -6.393
  490    HA   PHE  66           HA       PHE  66  -6.497  -4.253  -5.945
  491    HB2  PHE  66           HB2      PHE  66  -6.598  -3.591  -3.619
  492    HB3  PHE  66           HB1      PHE  66  -5.185  -4.625  -3.972
  493    HD1  PHE  66           HD1      PHE  66  -6.131  -1.020  -3.542
  494    HD2  PHE  66           HD2      PHE  66  -3.123  -4.007  -3.139
  495    HE1  PHE  66           HE1      PHE  66  -4.699   0.587  -2.361
  496    HE2  PHE  66           HE2      PHE  66  -1.686  -2.399  -1.959
  497    HZ   PHE  66           HZ       PHE  66  -2.465  -0.097  -1.566
  498    H    ASN  67           HN       ASN  67  -8.307  -3.115  -5.798
  499    HA   ASN  67           HA       ASN  67  -8.062  -0.331  -6.670
  500    HB2  ASN  67           HB2      ASN  67 -10.328  -0.697  -7.671
  501    HB3  ASN  67           HB1      ASN  67  -9.085  -1.760  -8.339
  502   HD21  ASN  67          HD21      ASN  67 -12.177  -1.727  -7.521
  503   HD22  ASN  67          HD22      ASN  67 -12.404  -3.363  -7.008
  504    H    GLU  68           HN       GLU  68  -8.921   1.257  -5.406
  505    HA   GLU  68           HA       GLU  68  -9.758   0.605  -2.786
  506    HB2  GLU  68           HB2      GLU  68 -10.157   3.243  -4.146
  507    HB3  GLU  68           HB1      GLU  68 -10.104   2.935  -2.424
  508    HG2  GLU  68           HG2      GLU  68  -7.822   2.677  -4.364
  509    HG3  GLU  68           HG1      GLU  68  -8.066   3.956  -3.161
  510    H    LYS  69           HN       LYS  69 -11.420   0.494  -5.647
  511    HA   LYS  69           HA       LYS  69 -14.101   1.104  -4.830
  512    HB2  LYS  69           HB2      LYS  69 -13.147  -0.995  -6.791
  513    HB3  LYS  69           HB1      LYS  69 -14.765  -0.267  -6.722
  514    HG2  LYS  69           HG2      LYS  69 -13.871   1.878  -7.324
  515    HG3  LYS  69           HG1      LYS  69 -12.222   1.208  -7.391
  516    HD2  LYS  69           HD2      LYS  69 -13.108   1.387  -9.634
  517    HD3  LYS  69           HD1      LYS  69 -13.001  -0.320  -9.198
  518    HE2  LYS  69           HE2      LYS  69 -15.384  -0.370  -8.715
  519    HE3  LYS  69           HE1      LYS  69 -15.510   1.355  -9.054
  520    HZ1  LYS  69           HZ1      LYS  69 -14.867   0.921 -11.348
  521    HZ2  LYS  69           HZ2      LYS  69 -16.254   0.037 -10.930
  522    HZ3  LYS  69           HZ3      LYS  69 -14.750  -0.745 -11.022
  523    H    SER  70           HN       SER  70 -11.910  -1.585  -4.811
  524    HA   SER  70           HA       SER  70 -13.534  -3.309  -3.222
  525    HB2  SER  70           HB2      SER  70 -11.686  -4.234  -4.603
  526    HB3  SER  70           HB1      SER  70 -10.532  -3.309  -3.591
  527    HG   SER  70           HG       SER  70 -10.906  -4.643  -1.934
  528    H    THR  71           HN       THR  71 -13.876  -2.980  -1.100
  529    HA   THR  71           HA       THR  71 -13.048  -0.698   0.274
  530    HB   THR  71           HB       THR  71 -13.798  -1.897   2.266
  531    HG1  THR  71           HG1      THR  71 -14.011  -4.139   0.539
  532   HG21  THR  71          HG21      THR  71 -15.974  -1.766   1.744
  533   HG22  THR  71          HG22      THR  71 -15.809  -2.853   0.364
  534   HG23  THR  71          HG23      THR  71 -15.372  -1.150   0.203
  535    H    VAL  72           HN       VAL  72 -11.145  -0.178   1.317
  536    HA   VAL  72           HA       VAL  72  -8.895  -1.646   0.981
  537    HB   VAL  72           HB       VAL  72  -8.392  -0.055   3.271
  538   HG11  VAL  72          HG11      VAL  72  -6.933   1.068   1.715
  539   HG12  VAL  72          HG12      VAL  72  -7.855   0.474   0.334
  540   HG13  VAL  72          HG13      VAL  72  -6.928  -0.652   1.328
  541   HG21  VAL  72          HG21      VAL  72  -9.185   2.115   2.555
  542   HG22  VAL  72          HG22      VAL  72 -10.598   1.060   2.591
  543   HG23  VAL  72          HG23      VAL  72  -9.824   1.460   1.039
  544    H    GLY  73           HN       GLY  73 -11.371  -2.116   3.118
  545    HA2  GLY  73           HA2      GLY  73 -10.083  -3.582   5.191
  546    HA3  GLY  73           HA1      GLY  73 -11.763  -3.671   4.689
  547    H    ASN  74           HN       ASN  74 -12.089  -4.705   2.470
  548    HA   ASN  74           HA       ASN  74 -11.183  -7.387   2.633
  549    HB2  ASN  74           HB2      ASN  74 -12.513  -5.881   0.361
  550    HB3  ASN  74           HB1      ASN  74 -12.162  -7.616   0.312
  551   HD21  ASN  74          HD21      ASN  74 -13.978  -8.691   0.562
  552   HD22  ASN  74          HD22      ASN  74 -15.215  -8.347   1.739
  553    H    ILE  75           HN       ILE  75  -9.779  -4.601   1.268
  554    HA   ILE  75           HA       ILE  75  -8.023  -5.994  -0.572
  555    HB   ILE  75           HB       ILE  75  -7.794  -3.280   0.656
  556   HG12  ILE  75          HG12      ILE  75  -8.712  -4.069  -2.153
  557   HG13  ILE  75          HG11      ILE  75  -9.735  -3.434  -0.831
  558   HG21  ILE  75          HG21      ILE  75  -5.617  -3.890   0.086
  559   HG22  ILE  75          HG22      ILE  75  -6.177  -2.872  -1.239
  560   HG23  ILE  75          HG23      ILE  75  -6.136  -4.626  -1.428
  561   HD11  ILE  75          HD11      ILE  75  -8.180  -2.020  -2.767
  562   HD12  ILE  75          HD12      ILE  75  -7.643  -1.598  -1.142
  563   HD13  ILE  75          HD13      ILE  75  -9.337  -1.405  -1.589
  564    H    SER  76           HN       SER  76  -7.838  -4.809   2.766
  565    HA   SER  76           HA       SER  76  -5.112  -5.687   3.061
  566    HB2  SER  76           HB2      SER  76  -5.826  -3.834   4.408
  567    HB3  SER  76           HB1      SER  76  -7.143  -4.783   5.114
  568    HG   SER  76           HG       SER  76  -4.803  -6.062   5.493
  569    H    ASN  77           HN       ASN  77  -8.193  -7.153   3.291
  570    HA   ASN  77           HA       ASN  77  -7.423  -9.474   4.789
  571    HB2  ASN  77           HB2      ASN  77  -9.561  -9.040   2.689
  572    HB3  ASN  77           HB1      ASN  77  -9.264 -10.609   3.443
  573   HD21  ASN  77          HD21      ASN  77 -10.589 -11.057   5.013
  574   HD22  ASN  77          HD22      ASN  77 -11.328  -9.920   6.097
  575    H    ASP  78           HN       ASP  78  -6.813  -8.193   1.682
  576    HA   ASP  78           HA       ASP  78  -5.686 -10.680   0.676
  577    HB2  ASP  78           HB2      ASP  78  -6.262  -8.031  -0.611
  578    HB3  ASP  78           HB1      ASP  78  -5.187  -9.212  -1.393
  579    H    ILE  79           HN       ILE  79  -4.604  -7.400   1.544
  580    HA   ILE  79           HA       ILE  79  -2.083  -7.717   0.442
  581    HB   ILE  79           HB       ILE  79  -2.709  -5.873   2.782
  582   HG12  ILE  79          HG12      ILE  79  -2.850  -5.341  -0.201
  583   HG13  ILE  79          HG11      ILE  79  -4.268  -5.583   0.843
  584   HG21  ILE  79          HG21      ILE  79  -0.705  -5.422   0.583
  585   HG22  ILE  79          HG22      ILE  79  -0.275  -6.313   2.039
  586   HG23  ILE  79          HG23      ILE  79  -0.812  -4.636   2.156
  587   HD11  ILE  79          HD11      ILE  79  -3.743  -3.575   2.056
  588   HD12  ILE  79          HD12      ILE  79  -3.782  -3.217   0.330
  589   HD13  ILE  79          HD13      ILE  79  -2.235  -3.382   1.164
  590    H    ASN  80           HN       ASN  80  -3.199  -8.566   3.633
  591    HA   ASN  80           HA       ASN  80  -0.662  -9.126   4.757
  592    HB2  ASN  80           HB2      ASN  80  -3.447 -10.074   5.431
  593    HB3  ASN  80           HB1      ASN  80  -2.028 -10.467   6.383
  594   HD21  ASN  80          HD21      ASN  80  -1.807  -9.249   8.104
  595   HD22  ASN  80          HD22      ASN  80  -2.264  -7.575   8.238
  596    H    LYS  81           HN       LYS  81  -2.484 -10.648   2.358
  597    HA   LYS  81           HA       LYS  81  -1.487 -13.327   2.877
  598    HB2  LYS  81           HB2      LYS  81  -2.789 -12.609   0.291
  599    HB3  LYS  81           HB1      LYS  81  -2.941 -14.074   1.248
  600    HG2  LYS  81           HG2      LYS  81  -4.223 -11.408   1.759
  601    HG3  LYS  81           HG1      LYS  81  -5.013 -12.915   1.276
  602    HD2  LYS  81           HD2      LYS  81  -3.473 -12.698   3.844
  603    HD3  LYS  81           HD1      LYS  81  -5.157 -12.208   3.722
  604    HE2  LYS  81           HE2      LYS  81  -5.028 -14.469   4.574
  605    HE3  LYS  81           HE1      LYS  81  -5.727 -14.495   2.958
  606    HZ1  LYS  81           HZ1      LYS  81  -2.839 -14.969   3.397
  607    HZ2  LYS  81           HZ2      LYS  81  -3.796 -15.397   2.057
  608    HZ3  LYS  81           HZ3      LYS  81  -3.974 -16.226   3.528
  609    H    LEU  82           HN       LEU  82  -1.478 -10.984   0.248
  610    HA   LEU  82           HA       LEU  82   0.358 -12.088  -1.453
  611    HB2  LEU  82           HB2      LEU  82  -0.555  -9.309  -0.917
  612    HB3  LEU  82           HB1      LEU  82   0.701  -9.631  -2.128
  613    HG   LEU  82           HG       LEU  82  -1.625  -9.463  -3.009
  614   HD11  LEU  82          HD11      LEU  82  -1.337 -11.146  -4.635
  615   HD12  LEU  82          HD12      LEU  82  -0.453 -12.169  -3.503
  616   HD13  LEU  82          HD13      LEU  82   0.284 -10.688  -4.115
  617   HD21  LEU  82          HD21      LEU  82  -3.075 -11.444  -2.861
  618   HD22  LEU  82          HD22      LEU  82  -2.927 -10.554  -1.345
  619   HD23  LEU  82          HD23      LEU  82  -2.027 -12.055  -1.582
  620    H    ASN  83           HN       ASN  83   0.919 -10.462   1.531
  621    HA   ASN  83           HA       ASN  83   2.804  -9.901   2.710
  622    HB2  ASN  83           HB2      ASN  83   2.858 -12.394   2.579
  623    HB3  ASN  83           HB1      ASN  83   3.898 -12.266   1.161
  624   HD21  ASN  83          HD21      ASN  83   4.686  -9.795   3.251
  625   HD22  ASN  83          HD22      ASN  83   6.010 -10.568   4.078
  626    H    ILE  84           HN       ILE  84   2.902  -7.925   1.248
  627    HA   ILE  84           HA       ILE  84   4.781  -7.939  -0.871
  628    HB   ILE  84           HB       ILE  84   3.514  -5.587   0.509
  629   HG12  ILE  84          HG12      ILE  84   2.218  -5.410  -1.640
  630   HG13  ILE  84          HG11      ILE  84   2.895  -6.987  -2.105
  631   HG21  ILE  84          HG21      ILE  84   4.776  -5.415  -2.175
  632   HG22  ILE  84          HG22      ILE  84   5.778  -5.293  -0.728
  633   HG23  ILE  84          HG23      ILE  84   4.465  -4.145  -0.992
  634   HD11  ILE  84          HD11      ILE  84   1.319  -6.620   0.421
  635   HD12  ILE  84          HD12      ILE  84   1.668  -8.105  -0.467
  636   HD13  ILE  84          HD13      ILE  84   0.543  -6.921  -1.133
  637    H    LYS  85           HN       LYS  85   6.796  -8.456  -0.335
  638    HA   LYS  85           HA       LYS  85   8.193  -6.503   1.296
  639    HB2  LYS  85           HB2      LYS  85   9.725  -8.467   2.054
  640    HB3  LYS  85           HB1      LYS  85   8.242  -8.113   2.910
  641    HG2  LYS  85           HG2      LYS  85   8.428 -10.458   2.751
  642    HG3  LYS  85           HG1      LYS  85   7.151  -9.972   1.649
  643    HD2  LYS  85           HD2      LYS  85   9.960 -10.450   0.690
  644    HD3  LYS  85           HD1      LYS  85   8.824 -11.779   0.900
  645    HE2  LYS  85           HE2      LYS  85   7.277 -10.659  -0.664
  646    HE3  LYS  85           HE1      LYS  85   8.475  -9.385  -0.903
  647    HZ1  LYS  85           HZ1      LYS  85   8.783 -10.840  -2.680
  648    HZ2  LYS  85           HZ2      LYS  85   8.628 -12.229  -1.713
  649    HZ3  LYS  85           HZ3      LYS  85  10.023 -11.264  -1.596
  650    H    GLY  86           HN       GLY  86  10.723  -7.017   1.015
  651    HA2  GLY  86           HA2      GLY  86  11.413  -5.993  -1.414
  652    HA3  GLY  86           HA1      GLY  86  12.527  -6.944  -0.417
  653    HA   PRO  87           HA       PRO  87  13.376  -6.066  -2.403
  654    HB2  PRO  87           HB2      PRO  87  14.606  -6.205  -4.739
  655    HB3  PRO  87           HB1      PRO  87  14.982  -7.326  -3.436
  656    HG2  PRO  87           HG2      PRO  87  13.443  -7.761  -5.936
  657    HG3  PRO  87           HG1      PRO  87  14.453  -8.899  -5.026
  658    HD2  PRO  87           HD2      PRO  87  11.593  -8.612  -4.886
  659    HD3  PRO  87           HD1      PRO  87  12.643  -9.679  -3.899
  660    H    TYR  88           HN       TYR  88  13.833  -4.229  -4.058
  661    HA   TYR  88           HA       TYR  88  12.763  -2.242  -4.675
  662    HB2  TYR  88           HB2      TYR  88  12.430  -4.049  -7.084
  663    HB3  TYR  88           HB1      TYR  88  12.441  -2.257  -7.104
  664    HD1  TYR  88           HD1      TYR  88  14.544  -5.244  -6.364
  665    HD2  TYR  88           HD2      TYR  88  14.460  -1.108  -7.332
  666    HE1  TYR  88           HE1      TYR  88  16.977  -5.287  -6.709
  667    HE2  TYR  88           HE2      TYR  88  16.890  -1.135  -7.690
  668    HH   TYR  88           HH       TYR  88  18.873  -3.672  -6.681
  669    H    ILE  89           HN       ILE  89  10.866  -1.860  -3.535
  670    HA   ILE  89           HA       ILE  89   8.388  -2.805  -4.841
  671    HB   ILE  89           HB       ILE  89   8.787  -1.898  -1.977
  672   HG12  ILE  89          HG12      ILE  89   8.167  -4.631  -3.151
  673   HG13  ILE  89          HG11      ILE  89   9.786  -4.160  -2.567
  674   HG21  ILE  89          HG21      ILE  89   6.377  -2.691  -3.565
  675   HG22  ILE  89          HG22      ILE  89   6.589  -1.348  -2.439
  676   HG23  ILE  89          HG23      ILE  89   6.445  -2.997  -1.829
  677   HD11  ILE  89          HD11      ILE  89   9.037  -4.075  -0.346
  678   HD12  ILE  89          HD12      ILE  89   8.327  -5.539  -1.030
  679   HD13  ILE  89          HD13      ILE  89   7.339  -4.091  -0.821
  680    H    GLU  90           HN       GLU  90   6.877  -1.404  -5.471
  681    HA   GLU  90           HA       GLU  90   7.195   1.414  -4.714
  682    HB2  GLU  90           HB2      GLU  90   7.973   1.193  -7.058
  683    HB3  GLU  90           HB1      GLU  90   6.394   0.508  -7.490
  684    HG2  GLU  90           HG2      GLU  90   5.310   2.595  -6.862
  685    HG3  GLU  90           HG1      GLU  90   6.872   3.282  -6.422
  686    H    ILE  91           HN       ILE  91   5.636   1.307  -3.225
  687    HA   ILE  91           HA       ILE  91   2.982   0.320  -3.869
  688    HB   ILE  91           HB       ILE  91   4.303   1.173  -1.302
  689   HG12  ILE  91          HG12      ILE  91   3.350  -1.485  -2.343
  690   HG13  ILE  91          HG11      ILE  91   5.008  -0.993  -2.011
  691   HG21  ILE  91          HG21      ILE  91   2.411   0.879  -0.047
  692   HG22  ILE  91          HG22      ILE  91   1.593  -0.048  -1.302
  693   HG23  ILE  91          HG23      ILE  91   1.789   1.697  -1.475
  694   HD11  ILE  91          HD11      ILE  91   2.823  -1.405   0.014
  695   HD12  ILE  91          HD12      ILE  91   4.457  -0.841   0.378
  696   HD13  ILE  91          HD13      ILE  91   4.209  -2.461  -0.275
  697    H    LYS  92           HN       LYS  92   1.938   1.861  -5.107
  698    HA   LYS  92           HA       LYS  92   1.088   4.265  -3.777
  699    HB2  LYS  92           HB2      LYS  92   2.167   5.917  -4.984
  700    HB3  LYS  92           HB1      LYS  92   3.449   4.704  -4.932
  701    HG2  LYS  92           HG2      LYS  92   1.593   5.290  -7.236
  702    HG3  LYS  92           HG1      LYS  92   3.308   5.666  -7.133
  703    HD2  LYS  92           HD2      LYS  92   3.891   3.347  -7.253
  704    HD3  LYS  92           HD1      LYS  92   2.203   2.863  -7.065
  705    HE2  LYS  92           HE2      LYS  92   2.967   2.699  -9.395
  706    HE3  LYS  92           HE1      LYS  92   1.641   3.857  -9.215
  707    HZ1  LYS  92           HZ1      LYS  92   3.473   4.631 -10.662
  708    HZ2  LYS  92           HZ2      LYS  92   4.532   4.592  -9.331
  709    HZ3  LYS  92           HZ3      LYS  92   3.205   5.661  -9.335
  710    H    GLN  93           HN       GLN  93  -0.421   5.561  -5.344
  711    HA   GLN  93           HA       GLN  93  -1.964   3.619  -6.845
  712    HB2  GLN  93           HB2      GLN  93  -3.542   5.369  -7.322
  713    HB3  GLN  93           HB1      GLN  93  -3.210   5.288  -5.585
  714    HG2  GLN  93           HG2      GLN  93  -1.709   7.190  -5.769
  715    HG3  GLN  93           HG1      GLN  93  -1.994   7.235  -7.507
  716   HE21  GLN  93          HE21      GLN  93  -4.840   6.345  -6.208
  717   HE22  GLN  93          HE22      GLN  93  -5.593   7.889  -6.019
  718    H    ILE  94           HN       ILE  94  -2.564   3.947  -9.011
  719    HA   ILE  94           HA       ILE  94  -0.261   4.874 -10.568
  720    HB   ILE  94           HB       ILE  94  -0.955   3.072 -12.129
  721   HG12  ILE  94          HG12      ILE  94  -2.804   2.444  -9.818
  722   HG13  ILE  94          HG11      ILE  94  -3.254   2.854 -11.473
  723   HG21  ILE  94          HG21      ILE  94  -0.272   1.210 -10.432
  724   HG22  ILE  94          HG22      ILE  94  -0.021   2.573  -9.343
  725   HG23  ILE  94          HG23      ILE  94   0.875   2.479 -10.860
  726   HD11  ILE  94          HD11      ILE  94  -1.645   0.638 -11.746
  727   HD12  ILE  94          HD12      ILE  94  -3.409   0.679 -11.806
  728   HD13  ILE  94          HD13      ILE  94  -2.586   0.327 -10.285
  Start of MODEL   19
    1    H    ASP   1           HT1      ASP   1  19.147   7.659  -5.204
    2    HA   ASP   1           HA       ASP   1  21.327   5.650  -5.244
    3    HB2  ASP   1           HB2      ASP   1  21.162   8.413  -4.003
    4    HB3  ASP   1           HB1      ASP   1  22.485   7.277  -3.759
    5    H    ASN   2           HN       ASN   2  21.975   5.968  -2.581
    6    HA   ASN   2           HA       ASN   2  21.491   5.048  -0.559
    7    HB2  ASN   2           HB2      ASN   2  18.887   6.510  -1.035
    8    HB3  ASN   2           HB1      ASN   2  19.367   5.810   0.505
    9   HD21  ASN   2          HD21      ASN   2  20.149   7.204   1.870
   10   HD22  ASN   2          HD22      ASN   2  21.026   8.643   1.485
   11    H    GLN   3           HN       GLN   3  21.410   3.079  -2.205
   12    HA   GLN   3           HA       GLN   3  18.846   1.807  -2.387
   13    HB2  GLN   3           HB2      GLN   3  20.257  -0.149  -3.245
   14    HB3  GLN   3           HB1      GLN   3  20.207   1.319  -4.199
   15    HG2  GLN   3           HG2      GLN   3  22.433   0.441  -4.188
   16    HG3  GLN   3           HG1      GLN   3  22.403   1.961  -3.306
   17   HE21  GLN   3          HE21      GLN   3  23.451  -1.180  -3.303
   18   HE22  GLN   3          HE22      GLN   3  23.886  -1.325  -1.636
   19    H    LYS   4           HN       LYS   4  20.029   2.406   0.280
   20    HA   LYS   4           HA       LYS   4  20.267  -0.235   1.490
   21    HB2  LYS   4           HB2      LYS   4  21.734   1.607   2.259
   22    HB3  LYS   4           HB1      LYS   4  20.317   2.536   2.720
   23    HG2  LYS   4           HG2      LYS   4  21.337   1.545   4.665
   24    HG3  LYS   4           HG1      LYS   4  19.748   0.829   4.384
   25    HD2  LYS   4           HD2      LYS   4  20.806  -1.117   3.348
   26    HD3  LYS   4           HD1      LYS   4  22.397  -0.395   3.607
   27    HE2  LYS   4           HE2      LYS   4  22.004  -0.421   6.028
   28    HE3  LYS   4           HE1      LYS   4  20.425  -1.158   5.762
   29    HZ1  LYS   4           HZ1      LYS   4  23.108  -2.335   5.374
   30    HZ2  LYS   4           HZ2      LYS   4  21.757  -2.971   4.557
   31    HZ3  LYS   4           HZ3      LYS   4  21.784  -2.944   6.255
   32    H    ALA   5           HN       ALA   5  17.986   2.171   0.762
   33    HA   ALA   5           HA       ALA   5  15.783   2.458   1.124
   34    HB1  ALA   5           HB1      ALA   5  15.857  -0.446   1.940
   35    HB2  ALA   5           HB2      ALA   5  15.595   0.173   0.308
   36    HB3  ALA   5           HB3      ALA   5  14.403   0.483   1.572
   37    H    LEU   6           HN       LEU   6  16.834   3.783   2.928
   38    HA   LEU   6           HA       LEU   6  15.885   2.842   5.554
   39    HB2  LEU   6           HB2      LEU   6  18.292   3.318   5.451
   40    HB3  LEU   6           HB1      LEU   6  17.952   4.945   4.890
   41    HG   LEU   6           HG       LEU   6  16.867   5.454   7.045
   42   HD11  LEU   6          HD11      LEU   6  17.789   3.469   8.738
   43   HD12  LEU   6          HD12      LEU   6  17.106   2.589   7.370
   44   HD13  LEU   6          HD13      LEU   6  16.116   3.748   8.257
   45   HD21  LEU   6          HD21      LEU   6  19.700   4.616   6.820
   46   HD22  LEU   6          HD22      LEU   6  19.081   4.972   8.432
   47   HD23  LEU   6          HD23      LEU   6  19.009   6.201   7.168
   48    H    GLU   7           HN       GLU   7  15.756   5.383   3.182
   49    HA   GLU   7           HA       GLU   7  14.300   7.299   4.692
   50    HB2  GLU   7           HB2      GLU   7  15.535   7.837   2.622
   51    HB3  GLU   7           HB1      GLU   7  14.415   6.849   1.698
   52    HG2  GLU   7           HG2      GLU   7  12.591   8.364   2.324
   53    HG3  GLU   7           HG1      GLU   7  13.745   9.364   3.206
   54    H    GLU   8           HN       GLU   8  13.469   4.297   3.339
   55    HA   GLU   8           HA       GLU   8  10.769   4.708   2.671
   56    HB2  GLU   8           HB2      GLU   8  12.021   2.155   3.703
   57    HB3  GLU   8           HB1      GLU   8  10.603   2.307   2.674
   58    HG2  GLU   8           HG2      GLU   8  13.404   3.074   1.879
   59    HG3  GLU   8           HG1      GLU   8  12.608   1.561   1.459
   60    H    GLN   9           HN       GLN   9  12.440   4.065   5.665
   61    HA   GLN   9           HA       GLN   9  10.013   3.586   7.175
   62    HB2  GLN   9           HB2      GLN   9  12.901   3.868   8.031
   63    HB3  GLN   9           HB1      GLN   9  11.584   3.512   9.129
   64    HG2  GLN   9           HG2      GLN   9  12.904   1.533   8.560
   65    HG3  GLN   9           HG1      GLN   9  11.222   1.373   8.071
   66   HE21  GLN   9          HE21      GLN   9  14.500   1.615   7.021
   67   HE22  GLN   9          HE22      GLN   9  14.215   1.296   5.342
   68    H    MET  10           HN       MET  10  11.209   6.337   5.922
   69    HA   MET  10           HA       MET  10  10.978   7.909   8.389
   70    HB2  MET  10           HB2      MET  10  11.942   8.717   5.639
   71    HB3  MET  10           HB1      MET  10  11.946   9.752   7.061
   72    HG2  MET  10           HG2      MET  10  13.501   8.235   8.168
   73    HG3  MET  10           HG1      MET  10  13.493   7.187   6.749
   74    HE1  MET  10           HE1      MET  10  17.062   8.736   6.575
   75    HE2  MET  10           HE2      MET  10  16.099   7.268   6.741
   76    HE3  MET  10           HE3      MET  10  16.198   8.414   8.079
   77    H    ASN  11           HN       ASN  11  10.136   8.791   5.068
   78    HA   ASN  11           HA       ASN  11   7.494   9.643   6.058
   79    HB2  ASN  11           HB2      ASN  11   7.285  10.772   3.814
   80    HB3  ASN  11           HB1      ASN  11   8.450  11.515   4.933
   81   HD21  ASN  11          HD21      ASN  11   7.951  10.697   1.826
   82   HD22  ASN  11          HD22      ASN  11   9.580  10.474   1.294
   83    H    SER  12           HN       SER  12   9.245   7.862   3.722
   84    HA   SER  12           HA       SER  12   7.629   7.466   1.748
   85    HB2  SER  12           HB2      SER  12   9.856   6.453   1.920
   86    HB3  SER  12           HB1      SER  12   9.230   5.280   3.096
   87    HG   SER  12           HG       SER  12   9.385   4.456   0.916
   88    H    ILE  13           HN       ILE  13   7.717   4.880   4.143
   89    HA   ILE  13           HA       ILE  13   5.213   3.824   3.236
   90    HB   ILE  13           HB       ILE  13   7.035   2.981   5.466
   91   HG12  ILE  13          HG12      ILE  13   6.861   2.081   2.600
   92   HG13  ILE  13          HG11      ILE  13   8.134   3.088   3.333
   93   HG21  ILE  13          HG21      ILE  13   5.834   0.702   4.564
   94   HG22  ILE  13          HG22      ILE  13   4.517   1.870   4.457
   95   HG23  ILE  13          HG23      ILE  13   5.330   1.598   5.997
   96   HD11  ILE  13          HD11      ILE  13   7.589   0.419   4.525
   97   HD12  ILE  13          HD12      ILE  13   9.107   1.307   4.375
   98   HD13  ILE  13          HD13      ILE  13   8.425   0.482   2.974
   99    H    ASN  14           HN       ASN  14   6.057   6.141   5.445
  100    HA   ASN  14           HA       ASN  14   3.797   5.609   7.229
  101    HB2  ASN  14           HB2      ASN  14   5.849   7.826   7.271
  102    HB3  ASN  14           HB1      ASN  14   4.498   7.712   8.398
  103   HD21  ASN  14          HD21      ASN  14   7.673   7.127   8.130
  104   HD22  ASN  14          HD22      ASN  14   7.838   5.811   9.238
  105    H    SER  15           HN       SER  15   4.768   7.974   4.778
  106    HA   SER  15           HA       SER  15   2.316   9.432   4.935
  107    HB2  SER  15           HB2      SER  15   2.994  10.514   2.856
  108    HB3  SER  15           HB1      SER  15   4.312  10.522   4.031
  109    HG   SER  15           HG       SER  15   5.358   8.963   2.900
  110    H    VAL  16           HN       VAL  16   3.408   6.534   3.417
  111    HA   VAL  16           HA       VAL  16   1.664   6.284   1.247
  112    HB   VAL  16           HB       VAL  16   3.607   4.719   2.187
  113   HG11  VAL  16          HG11      VAL  16   2.298   3.987   4.149
  114   HG12  VAL  16          HG12      VAL  16   2.820   2.653   3.121
  115   HG13  VAL  16          HG13      VAL  16   1.147   3.211   3.058
  116   HG21  VAL  16          HG21      VAL  16   1.306   3.632   0.602
  117   HG22  VAL  16          HG22      VAL  16   2.943   2.975   0.668
  118   HG23  VAL  16          HG23      VAL  16   2.660   4.566  -0.042
  119    H    ASN  17           HN       ASN  17   1.177   6.157   4.591
  120    HA   ASN  17           HA       ASN  17  -1.379   4.829   4.607
  121    HB2  ASN  17           HB2      ASN  17  -0.027   6.563   6.692
  122    HB3  ASN  17           HB1      ASN  17  -1.529   5.685   6.943
  123   HD21  ASN  17          HD21      ASN  17  -1.218   3.985   8.141
  124   HD22  ASN  17          HD22      ASN  17   0.145   2.922   8.079
  125    H    ASP  18           HN       ASP  18  -0.160   8.123   4.763
  126    HA   ASP  18           HA       ASP  18  -2.505   9.490   5.216
  127    HB2  ASP  18           HB2      ASP  18  -0.022  10.219   3.676
  128    HB3  ASP  18           HB1      ASP  18  -1.295  11.367   3.998
  129    H    LYS  19           HN       LYS  19  -1.735   7.777   2.327
  130    HA   LYS  19           HA       LYS  19  -3.651   9.364   0.740
  131    HB2  LYS  19           HB2      LYS  19  -2.235   6.829  -0.115
  132    HB3  LYS  19           HB1      LYS  19  -3.164   7.924  -1.143
  133    HG2  LYS  19           HG2      LYS  19  -0.959   8.449  -1.628
  134    HG3  LYS  19           HG1      LYS  19  -1.425   9.701  -0.453
  135    HD2  LYS  19           HD2      LYS  19  -0.468   8.326   1.341
  136    HD3  LYS  19           HD1      LYS  19   0.025   7.148   0.128
  137    HE2  LYS  19           HE2      LYS  19   0.950   9.995   0.339
  138    HE3  LYS  19           HE1      LYS  19   1.865   8.563   0.842
  139    HZ1  LYS  19           HZ1      LYS  19   2.593   9.328  -1.333
  140    HZ2  LYS  19           HZ2      LYS  19   1.017   9.228  -1.949
  141    HZ3  LYS  19           HZ3      LYS  19   1.843   7.816  -1.489
  142    H    LEU  20           HN       LEU  20  -3.087   6.242   2.067
  143    HA   LEU  20           HA       LEU  20  -5.439   4.973   1.232
  144    HB2  LEU  20           HB2      LEU  20  -3.634   4.448   3.584
  145    HB3  LEU  20           HB1      LEU  20  -4.739   3.282   2.864
  146    HG   LEU  20           HG       LEU  20  -2.337   4.489   1.476
  147   HD11  LEU  20          HD11      LEU  20  -2.400   2.495   3.412
  148   HD12  LEU  20          HD12      LEU  20  -1.078   2.874   2.307
  149   HD13  LEU  20          HD13      LEU  20  -2.265   1.642   1.873
  150   HD21  LEU  20          HD21      LEU  20  -3.849   3.947  -0.219
  151   HD22  LEU  20          HD22      LEU  20  -4.425   2.510   0.626
  152   HD23  LEU  20          HD23      LEU  20  -2.817   2.522  -0.098
  153    H    ASN  21           HN       ASN  21  -4.472   6.719   4.078
  154    HA   ASN  21           HA       ASN  21  -6.801   6.179   5.631
  155    HB2  ASN  21           HB2      ASN  21  -4.460   8.061   5.946
  156    HB3  ASN  21           HB1      ASN  21  -5.761   7.990   7.128
  157   HD21  ASN  21          HD21      ASN  21  -5.344   4.932   5.891
  158   HD22  ASN  21          HD22      ASN  21  -4.263   4.300   7.095
  159    H    LYS  22           HN       LYS  22  -8.678   7.037   4.506
  160    HA   LYS  22           HA       LYS  22  -8.482   9.963   4.157
  161    HB2  LYS  22           HB2      LYS  22  -9.779   7.981   2.316
  162    HB3  LYS  22           HB1      LYS  22 -10.143   9.714   2.255
  163    HG2  LYS  22           HG2      LYS  22  -7.730  10.166   1.938
  164    HG3  LYS  22           HG1      LYS  22  -7.438   8.428   1.892
  165    HD2  LYS  22           HD2      LYS  22  -8.739   8.197  -0.099
  166    HD3  LYS  22           HD1      LYS  22  -9.272   9.881  -0.011
  167    HE2  LYS  22           HE2      LYS  22  -6.923  10.591  -0.287
  168    HE3  LYS  22           HE1      LYS  22  -6.449   8.900  -0.443
  169    HZ1  LYS  22           HZ1      LYS  22  -6.891   9.021  -2.594
  170    HZ2  LYS  22           HZ2      LYS  22  -7.364  10.644  -2.436
  171    HZ3  LYS  22           HZ3      LYS  22  -8.513   9.409  -2.271
  172    H    GLY  23           HN       GLY  23 -10.870   7.423   4.957
  173    HA2  GLY  23           HA2      GLY  23 -12.105   8.858   6.915
  174    HA3  GLY  23           HA1      GLY  23 -12.885   9.364   5.409
  175    H    LYS  24           HN       LYS  24 -14.012   7.796   4.161
  176    HA   LYS  24           HA       LYS  24 -15.796   6.131   5.434
  177    HB2  LYS  24           HB2      LYS  24 -15.796   6.817   3.010
  178    HB3  LYS  24           HB1      LYS  24 -14.552   5.591   2.711
  179    HG2  LYS  24           HG2      LYS  24 -16.640   4.718   2.012
  180    HG3  LYS  24           HG1      LYS  24 -16.175   3.873   3.494
  181    HD2  LYS  24           HD2      LYS  24 -17.762   5.056   4.781
  182    HD3  LYS  24           HD1      LYS  24 -18.005   6.265   3.515
  183    HE2  LYS  24           HE2      LYS  24 -19.875   4.665   3.659
  184    HE3  LYS  24           HE1      LYS  24 -19.061   4.631   2.090
  185    HZ1  LYS  24           HZ1      LYS  24 -19.651   2.429   3.380
  186    HZ2  LYS  24           HZ2      LYS  24 -18.177   2.741   4.151
  187    HZ3  LYS  24           HZ3      LYS  24 -18.222   2.553   2.468
  188    H    GLY  25           HN       GLY  25 -12.854   5.162   3.771
  189    HA2  GLY  25           HA2      GLY  25 -12.299   3.264   5.879
  190    HA3  GLY  25           HA1      GLY  25 -12.311   2.642   4.242
  191    H    LYS  26           HN       LYS  26 -10.117   2.494   5.784
  192    HA   LYS  26           HA       LYS  26  -8.241   4.275   4.460
  193    HB2  LYS  26           HB2      LYS  26  -7.270   4.474   6.864
  194    HB3  LYS  26           HB1      LYS  26  -8.608   5.521   6.368
  195    HG2  LYS  26           HG2      LYS  26 -10.108   3.717   7.236
  196    HG3  LYS  26           HG1      LYS  26  -8.677   3.017   8.005
  197    HD2  LYS  26           HD2      LYS  26  -9.857   4.384   9.623
  198    HD3  LYS  26           HD1      LYS  26  -8.333   5.169   9.204
  199    HE2  LYS  26           HE2      LYS  26 -10.873   5.861   7.778
  200    HE3  LYS  26           HE1      LYS  26 -10.486   6.604   9.337
  201    HZ1  LYS  26           HZ1      LYS  26  -9.664   8.096   7.792
  202    HZ2  LYS  26           HZ2      LYS  26  -9.103   6.885   6.749
  203    HZ3  LYS  26           HZ3      LYS  26  -8.276   7.200   8.196
  204    H    LEU  27           HN       LEU  27  -6.015   3.530   4.745
  205    HA   LEU  27           HA       LEU  27  -5.830   0.728   5.545
  206    HB2  LEU  27           HB2      LEU  27  -6.156   0.585   3.264
  207    HB3  LEU  27           HB1      LEU  27  -5.035   1.924   2.919
  208    HG   LEU  27           HG       LEU  27  -3.164   0.525   3.679
  209   HD11  LEU  27          HD11      LEU  27  -4.131  -2.067   3.552
  210   HD12  LEU  27          HD12      LEU  27  -5.335  -1.219   4.522
  211   HD13  LEU  27          HD13      LEU  27  -3.640  -1.207   5.011
  212   HD21  LEU  27          HD21      LEU  27  -4.604  -1.102   1.630
  213   HD22  LEU  27          HD22      LEU  27  -2.921  -0.577   1.675
  214   HD23  LEU  27          HD23      LEU  27  -4.193   0.576   1.276
  215    H    SER  28           HN       SER  28  -4.043   0.207   6.613
  216    HA   SER  28           HA       SER  28  -1.838   2.152   6.728
  217    HB2  SER  28           HB2      SER  28  -3.203   2.000   8.852
  218    HB3  SER  28           HB1      SER  28  -2.781   0.285   8.924
  219    HG   SER  28           HG       SER  28  -1.348   2.423   9.730
  220    H    LEU  29           HN       LEU  29   0.275   1.223   6.715
  221    HA   LEU  29           HA       LEU  29   0.297  -1.690   6.390
  222    HB2  LEU  29           HB2      LEU  29   2.013   0.141   4.727
  223    HB3  LEU  29           HB1      LEU  29   1.810  -1.625   4.588
  224    HG   LEU  29           HG       LEU  29  -0.455   0.311   4.126
  225   HD11  LEU  29          HD11      LEU  29   1.000   0.922   2.414
  226   HD12  LEU  29          HD12      LEU  29   0.046  -0.361   1.671
  227   HD13  LEU  29          HD13      LEU  29   1.668  -0.704   2.269
  228   HD21  LEU  29          HD21      LEU  29  -1.162  -1.741   2.719
  229   HD22  LEU  29          HD22      LEU  29  -1.361  -1.785   4.472
  230   HD23  LEU  29          HD23      LEU  29   0.001  -2.615   3.716
  231    H    SER  30           HN       SER  30   1.870  -2.712   7.419
  232    HA   SER  30           HA       SER  30   4.194  -1.233   8.387
  233    HB2  SER  30           HB2      SER  30   2.528  -1.313  10.248
  234    HB3  SER  30           HB1      SER  30   2.512  -3.071  10.131
  235    HG   SER  30           HG       SER  30   4.040  -1.742  11.676
  236    H    MET  31           HN       MET  31   5.491  -3.287   9.659
  237    HA   MET  31           HA       MET  31   5.358  -5.651   7.956
  238    HB2  MET  31           HB2      MET  31   7.733  -5.535   7.352
  239    HB3  MET  31           HB1      MET  31   6.803  -4.183   6.663
  240    HG2  MET  31           HG2      MET  31   7.654  -2.712   8.427
  241    HG3  MET  31           HG1      MET  31   8.589  -4.050   9.095
  242    HE1  MET  31           HE1      MET  31   9.817  -1.600   8.778
  243    HE2  MET  31           HE2      MET  31  10.880  -1.296   7.403
  244    HE3  MET  31           HE3      MET  31  11.273  -2.572   8.557
  245    H    ASN  32           HN       ASN  32   6.985  -7.288   8.677
  246    HA   ASN  32           HA       ASN  32   7.915  -6.952  11.424
  247    HB2  ASN  32           HB2      ASN  32   5.630  -7.992  11.543
  248    HB3  ASN  32           HB1      ASN  32   6.228  -9.328  10.542
  249   HD21  ASN  32          HD21      ASN  32   5.543  -8.446  13.598
  250   HD22  ASN  32          HD22      ASN  32   6.613  -9.505  14.473
  251    H    GLY  33           HN       GLY  33   9.995  -6.912  10.453
  252    HA2  GLY  33           HA2      GLY  33  11.986  -7.941   9.759
  253    HA3  GLY  33           HA1      GLY  33  11.141  -9.505   9.845
  254    H    ASN  34           HN       ASN  34  10.784 -10.476   7.992
  255    HA   ASN  34           HA       ASN  34  10.808  -8.930   5.489
  256    HB2  ASN  34           HB2      ASN  34  10.983 -11.912   5.984
  257    HB3  ASN  34           HB1      ASN  34  10.938 -11.169   4.388
  258   HD21  ASN  34          HD21      ASN  34  12.899 -12.281   6.827
  259   HD22  ASN  34          HD22      ASN  34  14.393 -11.539   6.324
  260    H    GLN  35           HN       GLN  35   8.671  -8.864   7.391
  261    HA   GLN  35           HA       GLN  35   6.492 -10.189   5.947
  262    HB2  GLN  35           HB2      GLN  35   6.867  -9.449   8.798
  263    HB3  GLN  35           HB1      GLN  35   5.239  -9.430   8.140
  264    HG2  GLN  35           HG2      GLN  35   7.133 -11.780   8.107
  265    HG3  GLN  35           HG1      GLN  35   5.797 -11.555   9.239
  266   HE21  GLN  35          HE21      GLN  35   6.680 -13.134   6.534
  267   HE22  GLN  35          HE22      GLN  35   5.119 -13.375   5.803
  268    H    LEU  36           HN       LEU  36   4.444  -9.094   5.993
  269    HA   LEU  36           HA       LEU  36   4.594  -6.162   5.938
  270    HB2  LEU  36           HB2      LEU  36   4.720  -7.068   3.634
  271    HB3  LEU  36           HB1      LEU  36   3.258  -7.999   3.968
  272    HG   LEU  36           HG       LEU  36   2.911  -6.036   2.481
  273   HD11  LEU  36          HD11      LEU  36   0.941  -5.119   3.706
  274   HD12  LEU  36          HD12      LEU  36   1.444  -6.054   5.112
  275   HD13  LEU  36          HD13      LEU  36   0.997  -6.880   3.619
  276   HD21  LEU  36          HD21      LEU  36   3.426  -4.395   4.955
  277   HD22  LEU  36          HD22      LEU  36   2.910  -3.809   3.374
  278   HD23  LEU  36          HD23      LEU  36   4.514  -4.521   3.569
  279    H    LYS  37           HN       LYS  37   2.978  -5.331   7.189
  280    HA   LYS  37           HA       LYS  37   0.691  -7.077   7.785
  281    HB2  LYS  37           HB2      LYS  37   2.256  -5.426   9.798
  282    HB3  LYS  37           HB1      LYS  37   0.802  -6.386  10.152
  283    HG2  LYS  37           HG2      LYS  37   3.422  -7.505   9.145
  284    HG3  LYS  37           HG1      LYS  37   2.900  -7.505  10.840
  285    HD2  LYS  37           HD2      LYS  37   0.898  -8.831  10.131
  286    HD3  LYS  37           HD1      LYS  37   1.594  -8.898   8.514
  287    HE2  LYS  37           HE2      LYS  37   2.063 -10.940   9.728
  288    HE3  LYS  37           HE1      LYS  37   3.541 -10.053   9.363
  289    HZ1  LYS  37           HZ1      LYS  37   3.738 -10.772  11.580
  290    HZ2  LYS  37           HZ2      LYS  37   2.154 -10.296  11.976
  291    HZ3  LYS  37           HZ3      LYS  37   3.345  -9.121  11.696
  292    H    ALA  38           HN       ALA  38  -0.840  -6.028   6.727
  293    HA   ALA  38           HA       ALA  38  -1.064  -3.124   6.853
  294    HB1  ALA  38           HB1      ALA  38  -3.117  -4.385   5.300
  295    HB2  ALA  38           HB2      ALA  38  -1.544  -5.065   4.878
  296    HB3  ALA  38           HB3      ALA  38  -1.809  -3.324   4.774
  297    H    THR  39           HN       THR  39  -2.943  -2.063   7.462
  298    HA   THR  39           HA       THR  39  -5.081  -3.628   8.672
  299    HB   THR  39           HB       THR  39  -5.211  -1.939  10.545
  300    HG1  THR  39           HG1      THR  39  -2.504  -1.413   9.927
  301   HG21  THR  39          HG21      THR  39  -3.006  -2.883  11.671
  302   HG22  THR  39          HG22      THR  39  -3.115  -4.010  10.317
  303   HG23  THR  39          HG23      THR  39  -4.454  -3.865  11.455
  304    H    SER  40           HN       SER  40  -6.983  -2.964   7.998
  305    HA   SER  40           HA       SER  40  -7.284  -0.241   6.857
  306    HB2  SER  40           HB2      SER  40  -9.192  -1.201   5.621
  307    HB3  SER  40           HB1      SER  40  -7.658  -1.973   5.217
  308    HG   SER  40           HG       SER  40  -8.240  -3.647   6.748
  309    H    SER  41           HN       SER  41  -8.782   1.043   7.788
  310    HA   SER  41           HA       SER  41 -10.107  -0.157  10.118
  311    HB2  SER  41           HB2      SER  41  -8.621   1.703  10.650
  312    HB3  SER  41           HB1      SER  41  -9.514   2.759   9.556
  313    HG   SER  41           HG       SER  41 -10.286   1.705  12.055
  314    H    ASN  42           HN       ASN  42 -12.217   0.494  10.709
  315    HA   ASN  42           HA       ASN  42 -14.434   0.845  10.379
  316    HB2  ASN  42           HB2      ASN  42 -13.623   1.868   7.643
  317    HB3  ASN  42           HB1      ASN  42 -15.324   1.782   8.233
  318   HD21  ASN  42          HD21      ASN  42 -12.708   3.754   7.902
  319   HD22  ASN  42          HD22      ASN  42 -13.076   4.927   9.141
  320    H    ALA  43           HN       ALA  43 -12.506  -1.335   9.362
  321    HA   ALA  43           HA       ALA  43 -12.629  -3.447   8.480
  322    HB1  ALA  43           HB1      ALA  43 -14.291  -4.734   9.601
  323    HB2  ALA  43           HB2      ALA  43 -15.302  -3.310   9.848
  324    HB3  ALA  43           HB3      ALA  43 -13.753  -3.448  10.683
  325    H    GLY  44           HN       GLY  44 -13.041  -2.196   6.223
  326    HA2  GLY  44           HA2      GLY  44 -13.749  -3.320   4.240
  327    HA3  GLY  44           HA1      GLY  44 -15.266  -3.743   5.086
  328    H    TYR  45           HN       TYR  45 -13.794  -0.545   4.996
  329    HA   TYR  45           HA       TYR  45 -15.940   0.316   3.181
  330    HB2  TYR  45           HB2      TYR  45 -14.540   1.920   5.349
  331    HB3  TYR  45           HB1      TYR  45 -15.547   2.632   4.079
  332    HD1  TYR  45           HD1      TYR  45 -16.905   3.670   5.879
  333    HD2  TYR  45           HD2      TYR  45 -16.634  -0.563   5.484
  334    HE1  TYR  45           HE1      TYR  45 -18.911   3.416   7.261
  335    HE2  TYR  45           HE2      TYR  45 -18.637  -0.818   6.879
  336    HH   TYR  45           HH       TYR  45 -19.931   1.679   8.736
  337    H    GLY  46           HN       GLY  46 -15.300   1.653   1.461
  338    HA2  GLY  46           HA2      GLY  46 -12.414   1.570   0.859
  339    HA3  GLY  46           HA1      GLY  46 -13.706   1.919  -0.294
  340    H    ILE  47           HN       ILE  47 -12.299   3.774  -0.836
  341    HA   ILE  47           HA       ILE  47 -11.783   5.965   0.854
  342    HB   ILE  47           HB       ILE  47 -12.663   6.128  -1.998
  343   HG12  ILE  47          HG12      ILE  47 -10.879   4.507  -1.795
  344   HG13  ILE  47          HG11      ILE  47 -10.328   5.984  -2.573
  345   HG21  ILE  47          HG21      ILE  47 -10.592   7.960  -1.274
  346   HG22  ILE  47          HG22      ILE  47 -11.920   8.097  -0.121
  347   HG23  ILE  47          HG23      ILE  47 -12.224   8.303  -1.845
  348   HD11  ILE  47          HD11      ILE  47  -8.723   6.247  -1.067
  349   HD12  ILE  47          HD12      ILE  47  -9.160   4.657  -0.433
  350   HD13  ILE  47          HD13      ILE  47  -9.882   6.114   0.257
  351    H    SER  48           HN       SER  48 -14.315   5.403  -1.450
  352    HA   SER  48           HA       SER  48 -16.513   6.203   0.085
  353    HB2  SER  48           HB2      SER  48 -16.964   8.418  -0.915
  354    HB3  SER  48           HB1      SER  48 -15.434   8.400  -0.001
  355    HG   SER  48           HG       SER  48 -14.555   9.097  -1.763
  356    H    TYR  49           HN       TYR  49 -17.061   7.705  -2.764
  357    HA   TYR  49           HA       TYR  49 -17.578   5.202  -4.217
  358    HB2  TYR  49           HB2      TYR  49 -19.207   7.728  -4.150
  359    HB3  TYR  49           HB1      TYR  49 -19.286   6.612  -5.517
  360    HD1  TYR  49           HD1      TYR  49 -19.053   5.981  -1.842
  361    HD2  TYR  49           HD2      TYR  49 -21.504   5.576  -5.325
  362    HE1  TYR  49           HE1      TYR  49 -20.693   4.697  -0.552
  363    HE2  TYR  49           HE2      TYR  49 -23.122   4.294  -4.027
  364    HH   TYR  49           HH       TYR  49 -22.477   3.263  -0.746
  365    H    GLU  50           HN       GLU  50 -15.365   5.483  -4.865
  366    HA   GLU  50           HA       GLU  50 -15.191   7.123  -7.273
  367    HB2  GLU  50           HB2      GLU  50 -13.085   7.032  -5.096
  368    HB3  GLU  50           HB1      GLU  50 -12.804   7.683  -6.702
  369    HG2  GLU  50           HG2      GLU  50 -14.498   9.378  -6.319
  370    HG3  GLU  50           HG1      GLU  50 -14.786   8.732  -4.695
  371    H    ASP  51           HN       ASP  51 -13.183   6.382  -8.599
  372    HA   ASP  51           HA       ASP  51 -12.783   3.510  -8.100
  373    HB2  ASP  51           HB2      ASP  51 -12.518   4.688 -10.854
  374    HB3  ASP  51           HB1      ASP  51 -12.590   2.984 -10.359
  375    H    LYS  52           HN       LYS  52 -10.843   2.932  -7.579
  376    HA   LYS  52           HA       LYS  52  -8.627   4.807  -8.069
  377    HB2  LYS  52           HB2      LYS  52  -8.787   3.196  -5.587
  378    HB3  LYS  52           HB1      LYS  52  -8.101   4.796  -5.839
  379    HG2  LYS  52           HG2      LYS  52 -11.025   4.136  -5.756
  380    HG3  LYS  52           HG1      LYS  52 -10.108   4.840  -4.428
  381    HD2  LYS  52           HD2      LYS  52 -10.191   6.189  -7.090
  382    HD3  LYS  52           HD1      LYS  52 -11.567   6.317  -5.998
  383    HE2  LYS  52           HE2      LYS  52 -10.074   8.224  -5.728
  384    HE3  LYS  52           HE1      LYS  52 -10.063   7.242  -4.267
  385    HZ1  LYS  52           HZ1      LYS  52  -7.859   8.121  -5.336
  386    HZ2  LYS  52           HZ2      LYS  52  -8.008   6.735  -6.302
  387    HZ3  LYS  52           HZ3      LYS  52  -7.918   6.586  -4.609
  388    H    ASN  53           HN       ASN  53  -7.289   3.759  -9.392
  389    HA   ASN  53           HA       ASN  53  -6.892   0.886  -9.028
  390    HB2  ASN  53           HB2      ASN  53  -6.006   2.768 -11.221
  391    HB3  ASN  53           HB1      ASN  53  -5.536   1.058 -11.145
  392   HD21  ASN  53          HD21      ASN  53  -8.570   1.351  -9.819
  393   HD22  ASN  53          HD22      ASN  53  -9.488   0.906 -11.229
  394    H    TRP  54           HN       TRP  54  -5.172   0.027  -8.106
  395    HA   TRP  54           HA       TRP  54  -2.987   1.865  -7.424
  396    HB2  TRP  54           HB2      TRP  54  -4.698   0.262  -5.738
  397    HB3  TRP  54           HB1      TRP  54  -2.996  -0.239  -5.561
  398    HD1  TRP  54           HD1      TRP  54  -5.017   3.115  -5.431
  399    HE1  TRP  54           HE1      TRP  54  -3.763   4.643  -3.771
  400    HE3  TRP  54           HE3      TRP  54  -1.144   0.035  -4.314
  401    HZ2  TRP  54           HZ2      TRP  54  -1.366   4.528  -2.245
  402    HZ3  TRP  54           HZ3      TRP  54   0.569   0.805  -2.756
  403    HH2  TRP  54           HH2      TRP  54   0.448   3.000  -1.734
  404    H    GLY  55           HN       GLY  55  -0.881   1.010  -7.125
  405    HA2  GLY  55           HA2      GLY  55  -0.494  -1.722  -8.069
  406    HA3  GLY  55           HA1      GLY  55   0.362  -0.446  -8.933
  407    H    ILE  56           HN       ILE  56   1.505  -2.557  -7.725
  408    HA   ILE  56           HA       ILE  56   3.337  -1.380  -5.722
  409    HB   ILE  56           HB       ILE  56   2.098  -4.159  -5.529
  410   HG12  ILE  56          HG12      ILE  56   1.579  -1.759  -3.751
  411   HG13  ILE  56          HG11      ILE  56   0.468  -2.339  -5.015
  412   HG21  ILE  56          HG21      ILE  56   4.093  -2.660  -3.866
  413   HG22  ILE  56          HG22      ILE  56   4.220  -4.275  -4.567
  414   HG23  ILE  56          HG23      ILE  56   3.145  -3.988  -3.198
  415   HD11  ILE  56          HD11      ILE  56  -0.456  -3.397  -3.261
  416   HD12  ILE  56          HD12      ILE  56   1.046  -3.424  -2.334
  417   HD13  ILE  56          HD13      ILE  56   0.784  -4.598  -3.624
  418    H    PHE  57           HN       PHE  57   5.158  -1.425  -7.036
  419    HA   PHE  57           HA       PHE  57   5.392  -3.715  -8.843
  420    HB2  PHE  57           HB2      PHE  57   6.896  -1.092  -9.058
  421    HB3  PHE  57           HB1      PHE  57   6.761  -2.368 -10.285
  422    HD1  PHE  57           HD1      PHE  57   5.115  -2.250 -11.903
  423    HD2  PHE  57           HD2      PHE  57   4.698   0.087  -8.369
  424    HE1  PHE  57           HE1      PHE  57   3.162  -1.112 -12.880
  425    HE2  PHE  57           HE2      PHE  57   2.752   1.214  -9.333
  426    HZ   PHE  57           HZ       PHE  57   1.967   0.613 -11.584
  427    H    VAL  58           HN       VAL  58   6.583  -5.280  -8.079
  428    HA   VAL  58           HA       VAL  58   9.105  -4.684  -6.710
  429    HB   VAL  58           HB       VAL  58   7.509  -7.247  -6.931
  430   HG11  VAL  58          HG11      VAL  58  10.374  -6.836  -6.198
  431   HG12  VAL  58          HG12      VAL  58   9.613  -8.177  -7.057
  432   HG13  VAL  58          HG13      VAL  58   9.427  -8.029  -5.311
  433   HG21  VAL  58          HG21      VAL  58   7.142  -5.308  -5.198
  434   HG22  VAL  58          HG22      VAL  58   8.550  -6.033  -4.415
  435   HG23  VAL  58          HG23      VAL  58   7.093  -6.996  -4.683
  436    H    ASN  59           HN       ASN  59  10.857  -4.581  -7.876
  437    HA   ASN  59           HA       ASN  59  12.388  -4.800  -9.532
  438    HB2  ASN  59           HB2      ASN  59  11.110  -7.522  -9.890
  439    HB3  ASN  59           HB1      ASN  59  12.632  -7.001 -10.650
  440   HD21  ASN  59          HD21      ASN  59  11.463  -8.809  -8.260
  441   HD22  ASN  59          HD22      ASN  59  12.745  -8.685  -7.108
  442    H    GLY  60           HN       GLY  60   9.912  -3.503 -10.197
  443    HA2  GLY  60           HA2      GLY  60   9.589  -2.356 -12.255
  444    HA3  GLY  60           HA1      GLY  60  10.204  -3.799 -13.087
  445    H    GLU  61           HN       GLU  61   8.516  -5.629 -11.704
  446    HA   GLU  61           HA       GLU  61   6.203  -5.242 -13.405
  447    HB2  GLU  61           HB2      GLU  61   5.676  -7.576 -12.941
  448    HB3  GLU  61           HB1      GLU  61   7.359  -7.409 -13.427
  449    HG2  GLU  61           HG2      GLU  61   8.041  -7.561 -11.075
  450    HG3  GLU  61           HG1      GLU  61   6.346  -7.753 -10.608
  451    H    LYS  62           HN       LYS  62   4.067  -5.282 -12.743
  452    HA   LYS  62           HA       LYS  62   3.599  -4.224 -10.097
  453    HB2  LYS  62           HB2      LYS  62   2.406  -3.339 -12.073
  454    HB3  LYS  62           HB1      LYS  62   1.649  -4.930 -12.312
  455    HG2  LYS  62           HG2      LYS  62   0.431  -4.716 -10.247
  456    HG3  LYS  62           HG1      LYS  62   1.284  -3.197  -9.859
  457    HD2  LYS  62           HD2      LYS  62  -0.965  -2.775 -10.748
  458    HD3  LYS  62           HD1      LYS  62   0.287  -2.132 -11.815
  459    HE2  LYS  62           HE2      LYS  62   0.065  -4.135 -13.237
  460    HE3  LYS  62           HE1      LYS  62  -1.224  -4.720 -12.184
  461    HZ1  LYS  62           HZ1      LYS  62  -1.257  -2.273 -13.868
  462    HZ2  LYS  62           HZ2      LYS  62  -2.470  -2.659 -12.740
  463    HZ3  LYS  62           HZ3      LYS  62  -2.196  -3.672 -14.077
  464    H    VAL  63           HN       VAL  63   3.828  -5.687  -8.545
  465    HA   VAL  63           HA       VAL  63   3.258  -8.425  -8.936
  466    HB   VAL  63           HB       VAL  63   5.087  -7.701  -7.567
  467   HG11  VAL  63          HG11      VAL  63   3.770  -5.743  -6.560
  468   HG12  VAL  63          HG12      VAL  63   4.934  -6.583  -5.533
  469   HG13  VAL  63          HG13      VAL  63   3.210  -6.919  -5.373
  470   HG21  VAL  63          HG21      VAL  63   3.562  -9.844  -7.118
  471   HG22  VAL  63          HG22      VAL  63   3.464  -9.073  -5.533
  472   HG23  VAL  63          HG23      VAL  63   5.036  -9.491  -6.217
  473    H    TYR  64           HN       TYR  64   1.477  -5.792  -7.471
  474    HA   TYR  64           HA       TYR  64  -0.830  -7.548  -7.286
  475    HB2  TYR  64           HB2      TYR  64   0.247  -7.648  -5.042
  476    HB3  TYR  64           HB1      TYR  64   0.040  -5.886  -4.914
  477    HD1  TYR  64           HD1      TYR  64  -1.597  -5.460  -3.296
  478    HD2  TYR  64           HD2      TYR  64  -2.246  -8.612  -6.083
  479    HE1  TYR  64           HE1      TYR  64  -3.836  -5.812  -2.370
  480    HE2  TYR  64           HE2      TYR  64  -4.493  -8.971  -5.156
  481    HH   TYR  64           HH       TYR  64  -5.511  -7.595  -2.214
  482    H    THR  65           HN       THR  65  -2.760  -6.528  -7.574
  483    HA   THR  65           HA       THR  65  -2.753  -3.612  -7.842
  484    HB   THR  65           HB       THR  65  -4.300  -5.487  -9.504
  485    HG1  THR  65           HG1      THR  65  -2.016  -5.453  -9.969
  486   HG21  THR  65          HG21      THR  65  -4.667  -3.486 -10.966
  487   HG22  THR  65          HG22      THR  65  -4.039  -2.512  -9.636
  488   HG23  THR  65          HG23      THR  65  -5.513  -3.457  -9.417
  489    H    PHE  66           HN       PHE  66  -4.202  -2.655  -6.517
  490    HA   PHE  66           HA       PHE  66  -6.676  -4.123  -5.997
  491    HB2  PHE  66           HB2      PHE  66  -6.771  -3.495  -3.658
  492    HB3  PHE  66           HB1      PHE  66  -5.377  -4.563  -4.013
  493    HD1  PHE  66           HD1      PHE  66  -6.287  -0.974  -3.459
  494    HD2  PHE  66           HD2      PHE  66  -3.251  -3.955  -3.286
  495    HE1  PHE  66           HE1      PHE  66  -4.807   0.604  -2.296
  496    HE2  PHE  66           HE2      PHE  66  -1.767  -2.379  -2.118
  497    HZ   PHE  66           HZ       PHE  66  -2.534  -0.090  -1.621
  498    H    ASN  67           HN       ASN  67  -8.410  -2.810  -5.344
  499    HA   ASN  67           HA       ASN  67  -8.120  -0.056  -6.343
  500    HB2  ASN  67           HB2      ASN  67 -10.544  -1.887  -6.447
  501    HB3  ASN  67           HB1      ASN  67 -10.485  -0.231  -7.056
  502   HD21  ASN  67          HD21      ASN  67 -10.327  -0.145  -9.163
  503   HD22  ASN  67          HD22      ASN  67  -9.508  -1.274 -10.183
  504    H    GLU  68           HN       GLU  68  -9.054   1.585  -5.059
  505    HA   GLU  68           HA       GLU  68  -9.586   0.915  -2.322
  506    HB2  GLU  68           HB2      GLU  68 -10.151   3.500  -3.738
  507    HB3  GLU  68           HB1      GLU  68 -10.083   3.257  -2.005
  508    HG2  GLU  68           HG2      GLU  68  -7.778   2.947  -3.914
  509    HG3  GLU  68           HG1      GLU  68  -8.078   4.338  -2.855
  510    H    LYS  69           HN       LYS  69 -11.302   0.983  -5.181
  511    HA   LYS  69           HA       LYS  69 -14.008   1.285  -4.342
  512    HB2  LYS  69           HB2      LYS  69 -12.848  -0.526  -6.474
  513    HB3  LYS  69           HB1      LYS  69 -14.519   0.055  -6.381
  514    HG2  LYS  69           HG2      LYS  69 -13.807   2.313  -6.762
  515    HG3  LYS  69           HG1      LYS  69 -12.105   1.773  -6.850
  516    HD2  LYS  69           HD2      LYS  69 -13.111   2.034  -9.099
  517    HD3  LYS  69           HD1      LYS  69 -12.629   0.368  -8.774
  518    HE2  LYS  69           HE2      LYS  69 -14.826   0.507  -9.872
  519    HE3  LYS  69           HE1      LYS  69 -14.921  -0.238  -8.276
  520    HZ1  LYS  69           HZ1      LYS  69 -15.554   2.616  -8.844
  521    HZ2  LYS  69           HZ2      LYS  69 -15.768   1.805  -7.366
  522    HZ3  LYS  69           HZ3      LYS  69 -16.712   1.377  -8.711
  523    H    SER  70           HN       SER  70 -11.707  -1.319  -4.653
  524    HA   SER  70           HA       SER  70 -13.365  -3.257  -3.368
  525    HB2  SER  70           HB2      SER  70 -11.620  -3.903  -5.045
  526    HB3  SER  70           HB1      SER  70 -10.384  -3.396  -3.860
  527    HG   SER  70           HG       SER  70 -10.593  -5.450  -3.327
  528    H    THR  71           HN       THR  71 -13.880  -2.321  -1.494
  529    HA   THR  71           HA       THR  71 -12.927  -0.733   0.286
  530    HB   THR  71           HB       THR  71 -13.766  -2.158   2.089
  531    HG1  THR  71           HG1      THR  71 -13.241  -4.111   0.309
  532   HG21  THR  71          HG21      THR  71 -15.917  -1.833   1.528
  533   HG22  THR  71          HG22      THR  71 -15.749  -2.675  -0.014
  534   HG23  THR  71          HG23      THR  71 -15.216  -1.001   0.141
  535    H    VAL  72           HN       VAL  72 -10.990  -0.276   1.173
  536    HA   VAL  72           HA       VAL  72  -8.774  -1.786   1.056
  537    HB   VAL  72           HB       VAL  72  -8.287  -0.272   3.343
  538   HG11  VAL  72          HG11      VAL  72  -7.730   1.241   0.999
  539   HG12  VAL  72          HG12      VAL  72  -7.526  -0.464   0.594
  540   HG13  VAL  72          HG13      VAL  72  -6.632   0.235   1.944
  541   HG21  VAL  72          HG21      VAL  72 -10.656   0.710   2.697
  542   HG22  VAL  72          HG22      VAL  72  -9.754   1.509   1.394
  543   HG23  VAL  72          HG23      VAL  72  -9.328   1.805   3.086
  544    H    GLY  73           HN       GLY  73 -11.405  -2.282   3.034
  545    HA2  GLY  73           HA2      GLY  73 -10.220  -3.669   5.217
  546    HA3  GLY  73           HA1      GLY  73 -11.863  -3.797   4.624
  547    H    ASN  74           HN       ASN  74 -12.098  -4.942   2.517
  548    HA   ASN  74           HA       ASN  74 -11.318  -7.615   2.908
  549    HB2  ASN  74           HB2      ASN  74 -13.357  -6.838   1.654
  550    HB3  ASN  74           HB1      ASN  74 -12.300  -6.322   0.332
  551   HD21  ASN  74          HD21      ASN  74 -14.389  -8.624   1.193
  552   HD22  ASN  74          HD22      ASN  74 -13.739  -9.985   0.319
  553    H    ILE  75           HN       ILE  75  -9.838  -5.012   1.202
  554    HA   ILE  75           HA       ILE  75  -8.041  -6.709  -0.286
  555    HB   ILE  75           HB       ILE  75  -8.123  -3.789   0.202
  556   HG12  ILE  75          HG12      ILE  75  -9.861  -4.699  -1.257
  557   HG13  ILE  75          HG11      ILE  75  -8.722  -3.732  -2.219
  558   HG21  ILE  75          HG21      ILE  75  -6.278  -3.432  -1.227
  559   HG22  ILE  75          HG22      ILE  75  -6.239  -5.127  -1.713
  560   HG23  ILE  75          HG23      ILE  75  -5.772  -4.667  -0.077
  561   HD11  ILE  75          HD11      ILE  75  -8.689  -5.497  -3.574
  562   HD12  ILE  75          HD12      ILE  75  -9.358  -6.578  -2.350
  563   HD13  ILE  75          HD13      ILE  75  -7.631  -6.231  -2.372
  564    H    SER  76           HN       SER  76  -7.815  -4.758   2.663
  565    HA   SER  76           HA       SER  76  -5.030  -5.307   2.953
  566    HB2  SER  76           HB2      SER  76  -5.846  -3.320   3.973
  567    HB3  SER  76           HB1      SER  76  -7.066  -4.212   4.893
  568    HG   SER  76           HG       SER  76  -5.031  -5.322   5.766
  569    H    ASN  77           HN       ASN  77  -7.847  -7.074   3.719
  570    HA   ASN  77           HA       ASN  77  -6.572  -8.871   5.564
  571    HB2  ASN  77           HB2      ASN  77  -8.957  -9.252   3.736
  572    HB3  ASN  77           HB1      ASN  77  -8.360 -10.488   4.849
  573   HD21  ASN  77          HD21      ASN  77 -10.690  -8.302   4.503
  574   HD22  ASN  77          HD22      ASN  77 -10.978  -7.880   6.160
  575    H    ASP  78           HN       ASP  78  -6.800  -8.408   2.103
  576    HA   ASP  78           HA       ASP  78  -5.348 -10.824   1.502
  577    HB2  ASP  78           HB2      ASP  78  -6.277  -8.528  -0.186
  578    HB3  ASP  78           HB1      ASP  78  -5.148  -9.746  -0.828
  579    H    ILE  79           HN       ILE  79  -4.474  -7.468   2.013
  580    HA   ILE  79           HA       ILE  79  -2.016  -7.628   0.691
  581    HB   ILE  79           HB       ILE  79  -2.698  -5.777   3.010
  582   HG12  ILE  79          HG12      ILE  79  -2.969  -5.366   0.023
  583   HG13  ILE  79          HG11      ILE  79  -4.322  -5.683   1.131
  584   HG21  ILE  79          HG21      ILE  79  -0.909  -4.453   2.393
  585   HG22  ILE  79          HG22      ILE  79  -0.823  -5.142   0.774
  586   HG23  ILE  79          HG23      ILE  79  -0.256  -6.076   2.158
  587   HD11  ILE  79          HD11      ILE  79  -4.503  -3.487   1.355
  588   HD12  ILE  79          HD12      ILE  79  -2.997  -3.210   0.480
  589   HD13  ILE  79          HD13      ILE  79  -2.965  -3.507   2.219
  590    H    ASN  80           HN       ASN  80  -2.953  -8.875   3.738
  591    HA   ASN  80           HA       ASN  80  -0.336  -9.047   4.856
  592    HB2  ASN  80           HB2      ASN  80  -2.936 -10.404   5.540
  593    HB3  ASN  80           HB1      ASN  80  -1.445 -10.652   6.429
  594   HD21  ASN  80          HD21      ASN  80  -4.230  -9.062   6.542
  595   HD22  ASN  80          HD22      ASN  80  -3.750  -7.644   7.423
  596    H    LYS  81           HN       LYS  81  -2.444 -11.311   3.065
  597    HA   LYS  81           HA       LYS  81  -0.559 -13.426   3.220
  598    HB2  LYS  81           HB2      LYS  81  -1.867 -14.395   1.254
  599    HB3  LYS  81           HB1      LYS  81  -2.693 -14.213   2.791
  600    HG2  LYS  81           HG2      LYS  81  -2.933 -11.949   0.918
  601    HG3  LYS  81           HG1      LYS  81  -3.744 -13.465   0.454
  602    HD2  LYS  81           HD2      LYS  81  -4.064 -11.998   3.072
  603    HD3  LYS  81           HD1      LYS  81  -5.214 -11.980   1.734
  604    HE2  LYS  81           HE2      LYS  81  -5.523 -14.403   1.975
  605    HE3  LYS  81           HE1      LYS  81  -4.393 -14.406   3.330
  606    HZ1  LYS  81           HZ1      LYS  81  -5.901 -12.910   4.522
  607    HZ2  LYS  81           HZ2      LYS  81  -6.663 -14.370   4.123
  608    HZ3  LYS  81           HZ3      LYS  81  -7.000 -12.969   3.225
  609    H    LEU  82           HN       LEU  82  -1.269 -10.987   0.728
  610    HA   LEU  82           HA       LEU  82   0.498 -11.823  -1.234
  611    HB2  LEU  82           HB2      LEU  82  -0.642  -9.206  -0.425
  612    HB3  LEU  82           HB1      LEU  82   0.596  -9.281  -1.695
  613    HG   LEU  82           HG       LEU  82  -1.753  -9.296  -2.496
  614   HD11  LEU  82          HD11      LEU  82   0.040 -10.086  -3.911
  615   HD12  LEU  82          HD12      LEU  82  -1.407 -11.064  -4.163
  616   HD13  LEU  82          HD13      LEU  82  -0.082 -11.687  -3.180
  617   HD21  LEU  82          HD21      LEU  82  -2.800 -10.685  -0.821
  618   HD22  LEU  82          HD22      LEU  82  -1.838 -12.061  -1.367
  619   HD23  LEU  82          HD23      LEU  82  -3.044 -11.346  -2.438
  620    H    ASN  83           HN       ASN  83   1.140 -10.433   1.838
  621    HA   ASN  83           HA       ASN  83   3.029  -9.688   2.906
  622    HB2  ASN  83           HB2      ASN  83   3.297 -12.161   2.714
  623    HB3  ASN  83           HB1      ASN  83   4.237 -11.912   1.242
  624   HD21  ASN  83          HD21      ASN  83   4.909  -9.415   3.340
  625   HD22  ASN  83          HD22      ASN  83   6.348 -10.068   4.063
  626    H    ILE  84           HN       ILE  84   2.950  -7.658   1.607
  627    HA   ILE  84           HA       ILE  84   4.567  -7.358  -0.681
  628    HB   ILE  84           HB       ILE  84   3.738  -5.136   1.149
  629   HG12  ILE  84          HG12      ILE  84   2.232  -6.316  -1.203
  630   HG13  ILE  84          HG11      ILE  84   1.771  -6.495   0.510
  631   HG21  ILE  84          HG21      ILE  84   5.026  -4.019  -0.306
  632   HG22  ILE  84          HG22      ILE  84   3.648  -4.195  -1.394
  633   HG23  ILE  84          HG23      ILE  84   4.996  -5.330  -1.488
  634   HD11  ILE  84          HD11      ILE  84   1.208  -4.239   0.699
  635   HD12  ILE  84          HD12      ILE  84   0.565  -4.727  -0.870
  636   HD13  ILE  84          HD13      ILE  84   2.065  -3.804  -0.780
  637    H    LYS  85           HN       LYS  85   6.695  -7.892  -0.446
  638    HA   LYS  85           HA       LYS  85   8.256  -6.092   1.221
  639    HB2  LYS  85           HB2      LYS  85   8.507  -9.100   1.271
  640    HB3  LYS  85           HB1      LYS  85   9.762  -8.030   1.861
  641    HG2  LYS  85           HG2      LYS  85   6.955  -8.221   2.915
  642    HG3  LYS  85           HG1      LYS  85   8.416  -8.836   3.693
  643    HD2  LYS  85           HD2      LYS  85   7.806  -5.939   3.088
  644    HD3  LYS  85           HD1      LYS  85   7.713  -6.705   4.674
  645    HE2  LYS  85           HE2      LYS  85  10.109  -7.156   4.613
  646    HE3  LYS  85           HE1      LYS  85  10.215  -6.444   3.003
  647    HZ1  LYS  85           HZ1      LYS  85  10.917  -4.934   4.815
  648    HZ2  LYS  85           HZ2      LYS  85   9.337  -4.961   5.422
  649    HZ3  LYS  85           HZ3      LYS  85   9.640  -4.308   3.889
  650    H    GLY  86           HN       GLY  86  10.703  -6.581   0.706
  651    HA2  GLY  86           HA2      GLY  86  11.121  -5.655  -1.873
  652    HA3  GLY  86           HA1      GLY  86  12.364  -6.298  -0.808
  653    HA   PRO  87           HA       PRO  87  13.351  -5.733  -2.470
  654    HB2  PRO  87           HB2      PRO  87  14.829  -5.848  -4.622
  655    HB3  PRO  87           HB1      PRO  87  15.060  -7.000  -3.308
  656    HG2  PRO  87           HG2      PRO  87  13.675  -7.368  -5.929
  657    HG3  PRO  87           HG1      PRO  87  14.763  -8.485  -5.082
  658    HD2  PRO  87           HD2      PRO  87  11.941  -8.556  -4.987
  659    HD3  PRO  87           HD1      PRO  87  13.058  -9.382  -3.853
  660    H    TYR  88           HN       TYR  88  13.813  -3.847  -3.917
  661    HA   TYR  88           HA       TYR  88  12.789  -1.930  -4.679
  662    HB2  TYR  88           HB2      TYR  88  12.633  -3.710  -7.125
  663    HB3  TYR  88           HB1      TYR  88  12.667  -1.914  -7.115
  664    HD1  TYR  88           HD1      TYR  88  14.732  -0.782  -7.121
  665    HD2  TYR  88           HD2      TYR  88  14.642  -4.940  -6.255
  666    HE1  TYR  88           HE1      TYR  88  17.188  -0.855  -7.240
  667    HE2  TYR  88           HE2      TYR  88  17.094  -5.028  -6.354
  668    HH   TYR  88           HH       TYR  88  18.942  -3.267  -7.736
  669    H    ILE  89           HN       ILE  89  10.879  -1.617  -3.612
  670    HA   ILE  89           HA       ILE  89   8.448  -2.736  -4.862
  671    HB   ILE  89           HB       ILE  89   8.597  -1.448  -2.129
  672   HG12  ILE  89          HG12      ILE  89   8.448  -4.010  -1.411
  673   HG13  ILE  89          HG11      ILE  89   9.194  -4.242  -3.014
  674   HG21  ILE  89          HG21      ILE  89   6.517  -2.582  -1.724
  675   HG22  ILE  89          HG22      ILE  89   6.628  -3.432  -3.266
  676   HG23  ILE  89          HG23      ILE  89   6.383  -1.685  -3.237
  677   HD11  ILE  89          HD11      ILE  89  10.487  -2.212  -1.332
  678   HD12  ILE  89          HD12      ILE  89  11.191  -3.483  -2.327
  679   HD13  ILE  89          HD13      ILE  89  10.576  -3.860  -0.715
  680    H    GLU  90           HN       GLU  90   6.815  -1.472  -5.437
  681    HA   GLU  90           HA       GLU  90   7.092   1.419  -4.974
  682    HB2  GLU  90           HB2      GLU  90   6.124   0.264  -7.595
  683    HB3  GLU  90           HB1      GLU  90   6.268   1.982  -7.184
  684    HG2  GLU  90           HG2      GLU  90   8.711   1.677  -6.961
  685    HG3  GLU  90           HG1      GLU  90   8.523   0.006  -7.495
  686    H    ILE  91           HN       ILE  91   5.633   1.242  -3.330
  687    HA   ILE  91           HA       ILE  91   2.942   0.296  -3.884
  688    HB   ILE  91           HB       ILE  91   4.329   1.153  -1.357
  689   HG12  ILE  91          HG12      ILE  91   3.331  -1.490  -2.382
  690   HG13  ILE  91          HG11      ILE  91   4.997  -1.025  -2.041
  691   HG21  ILE  91          HG21      ILE  91   1.824   1.714  -1.494
  692   HG22  ILE  91          HG22      ILE  91   2.445   0.884  -0.074
  693   HG23  ILE  91          HG23      ILE  91   1.596  -0.025  -1.321
  694   HD11  ILE  91          HD11      ILE  91   4.504  -0.913   0.323
  695   HD12  ILE  91          HD12      ILE  91   4.060  -2.491  -0.328
  696   HD13  ILE  91          HD13      ILE  91   2.808  -1.291   0.003
  697    H    LYS  92           HN       LYS  92   1.918   1.808  -5.095
  698    HA   LYS  92           HA       LYS  92   1.203   4.302  -3.863
  699    HB2  LYS  92           HB2      LYS  92   2.098   5.747  -5.674
  700    HB3  LYS  92           HB1      LYS  92   3.353   5.009  -4.677
  701    HG2  LYS  92           HG2      LYS  92   3.998   5.019  -7.016
  702    HG3  LYS  92           HG1      LYS  92   3.774   3.360  -6.457
  703    HD2  LYS  92           HD2      LYS  92   1.706   3.167  -7.560
  704    HD3  LYS  92           HD1      LYS  92   1.612   4.899  -7.843
  705    HE2  LYS  92           HE2      LYS  92   3.526   2.938  -9.128
  706    HE3  LYS  92           HE1      LYS  92   2.131   3.711  -9.903
  707    HZ1  LYS  92           HZ1      LYS  92   3.275   5.882  -9.440
  708    HZ2  LYS  92           HZ2      LYS  92   4.065   4.887 -10.571
  709    HZ3  LYS  92           HZ3      LYS  92   4.654   4.997  -8.982
  710    H    GLN  93           HN       GLN  93  -0.186   5.643  -5.375
  711    HA   GLN  93           HA       GLN  93  -1.835   3.807  -6.893
  712    HB2  GLN  93           HB2      GLN  93  -3.312   5.772  -7.308
  713    HB3  GLN  93           HB1      GLN  93  -3.239   5.137  -5.661
  714    HG2  GLN  93           HG2      GLN  93  -3.224   7.489  -5.528
  715    HG3  GLN  93           HG1      GLN  93  -1.627   6.904  -5.095
  716   HE21  GLN  93          HE21      GLN  93  -0.060   8.112  -5.842
  717   HE22  GLN  93          HE22      GLN  93  -0.067   9.005  -7.323
  718    H    ILE  94           HN       ILE  94  -2.301   4.019  -8.978
  719    HA   ILE  94           HA       ILE  94  -0.076   5.092 -10.526
  720    HB   ILE  94           HB       ILE  94  -0.766   3.331 -12.130
  721   HG12  ILE  94          HG12      ILE  94  -2.656   2.681  -9.865
  722   HG13  ILE  94          HG11      ILE  94  -3.073   3.112 -11.519
  723   HG21  ILE  94          HG21      ILE  94  -0.177   1.425 -10.391
  724   HG22  ILE  94          HG22      ILE  94   0.188   2.814  -9.369
  725   HG23  ILE  94          HG23      ILE  94   1.024   2.609 -10.909
  726   HD11  ILE  94          HD11      ILE  94  -2.412   0.576 -10.338
  727   HD12  ILE  94          HD12      ILE  94  -1.498   0.898 -11.814
  728   HD13  ILE  94          HD13      ILE  94  -3.262   0.938 -11.839
  Start of MODEL   20
    1    H    ASP   1           HT1      ASP   1  18.424  -3.154  12.461
    2    HA   ASP   1           HA       ASP   1  17.990  -4.144  10.031
    3    HB2  ASP   1           HB2      ASP   1  16.918  -1.582  11.242
    4    HB3  ASP   1           HB1      ASP   1  16.163  -2.440   9.903
    5    H    ASN   2           HN       ASN   2  16.953  -1.767   8.639
    6    HA   ASN   2           HA       ASN   2  17.474  -0.405   6.915
    7    HB2  ASN   2           HB2      ASN   2  18.627   0.955   8.577
    8    HB3  ASN   2           HB1      ASN   2  20.077  -0.031   8.410
    9   HD21  ASN   2          HD21      ASN   2  21.587   1.005   7.325
   10   HD22  ASN   2          HD22      ASN   2  21.338   2.025   5.950
   11    H    GLN   3           HN       GLN   3  17.420  -2.016   5.372
   12    HA   GLN   3           HA       GLN   3  19.905  -3.323   4.581
   13    HB2  GLN   3           HB2      GLN   3  17.749  -4.547   4.425
   14    HB3  GLN   3           HB1      GLN   3  17.170  -3.351   3.274
   15    HG2  GLN   3           HG2      GLN   3  19.012  -3.998   1.749
   16    HG3  GLN   3           HG1      GLN   3  19.451  -5.273   2.886
   17   HE21  GLN   3          HE21      GLN   3  18.675  -7.194   2.382
   18   HE22  GLN   3          HE22      GLN   3  17.208  -7.505   1.519
   19    H    LYS   4           HN       LYS   4  17.448  -1.524   2.752
   20    HA   LYS   4           HA       LYS   4  19.618   0.074   1.555
   21    HB2  LYS   4           HB2      LYS   4  18.453  -1.222  -0.169
   22    HB3  LYS   4           HB1      LYS   4  16.902  -0.616   0.397
   23    HG2  LYS   4           HG2      LYS   4  17.587   0.523  -1.627
   24    HG3  LYS   4           HG1      LYS   4  17.537   1.646  -0.267
   25    HD2  LYS   4           HD2      LYS   4  19.979   1.410  -0.017
   26    HD3  LYS   4           HD1      LYS   4  20.004   0.351  -1.429
   27    HE2  LYS   4           HE2      LYS   4  19.109   3.232  -1.378
   28    HE3  LYS   4           HE1      LYS   4  20.639   2.635  -2.020
   29    HZ1  LYS   4           HZ1      LYS   4  19.613   1.681  -3.830
   30    HZ2  LYS   4           HZ2      LYS   4  18.682   3.087  -3.614
   31    HZ3  LYS   4           HZ3      LYS   4  18.090   1.587  -3.078
   32    H    ALA   5           HN       ALA   5  16.211   0.080   2.439
   33    HA   ALA   5           HA       ALA   5  14.785   1.816   3.009
   34    HB1  ALA   5           HB1      ALA   5  15.174   0.852   5.062
   35    HB2  ALA   5           HB2      ALA   5  15.528   2.553   5.369
   36    HB3  ALA   5           HB3      ALA   5  16.848   1.407   5.126
   37    H    LEU   6           HN       LEU   6  16.057   3.126   1.080
   38    HA   LEU   6           HA       LEU   6  17.301   5.521   2.164
   39    HB2  LEU   6           HB2      LEU   6  18.048   4.435   0.021
   40    HB3  LEU   6           HB1      LEU   6  16.522   4.903  -0.694
   41    HG   LEU   6           HG       LEU   6  18.553   6.880   0.366
   42   HD11  LEU   6          HD11      LEU   6  18.162   5.685  -2.355
   43   HD12  LEU   6          HD12      LEU   6  19.649   5.862  -1.422
   44   HD13  LEU   6          HD13      LEU   6  18.884   7.280  -2.139
   45   HD21  LEU   6          HD21      LEU   6  16.952   7.981  -1.664
   46   HD22  LEU   6          HD22      LEU   6  16.950   8.388   0.052
   47   HD23  LEU   6          HD23      LEU   6  15.850   7.154  -0.562
   48    H    GLU   7           HN       GLU   7  14.633   5.073  -0.151
   49    HA   GLU   7           HA       GLU   7  13.251   7.343   1.084
   50    HB2  GLU   7           HB2      GLU   7  13.472   7.320  -1.381
   51    HB3  GLU   7           HB1      GLU   7  12.594   5.800  -1.442
   52    HG2  GLU   7           HG2      GLU   7  10.614   6.914  -0.531
   53    HG3  GLU   7           HG1      GLU   7  11.499   8.437  -0.486
   54    H    GLU   8           HN       GLU   8  13.422   4.015   1.271
   55    HA   GLU   8           HA       GLU   8  10.786   3.161   1.402
   56    HB2  GLU   8           HB2      GLU   8  13.202   2.093   2.868
   57    HB3  GLU   8           HB1      GLU   8  11.671   1.243   2.715
   58    HG2  GLU   8           HG2      GLU   8  11.921   1.135   0.322
   59    HG3  GLU   8           HG1      GLU   8  13.394   2.097   0.402
   60    H    GLN   9           HN       GLN   9  12.876   4.084   4.119
   61    HA   GLN   9           HA       GLN   9  10.554   4.153   5.867
   62    HB2  GLN   9           HB2      GLN   9  12.285   4.740   7.631
   63    HB3  GLN   9           HB1      GLN   9  12.397   3.140   6.917
   64    HG2  GLN   9           HG2      GLN   9  14.591   4.049   7.170
   65    HG3  GLN   9           HG1      GLN   9  14.208   3.954   5.456
   66   HE21  GLN   9          HE21      GLN   9  14.714   5.657   4.300
   67   HE22  GLN   9          HE22      GLN   9  14.910   7.269   4.903
   68    H    MET  10           HN       MET  10  11.311   6.123   3.594
   69    HA   MET  10           HA       MET  10  11.244   8.581   5.227
   70    HB2  MET  10           HB2      MET  10  13.039   8.449   3.541
   71    HB3  MET  10           HB1      MET  10  11.839   8.230   2.277
   72    HG2  MET  10           HG2      MET  10  10.936  10.464   2.778
   73    HG3  MET  10           HG1      MET  10  12.196  10.677   3.995
   74    HE1  MET  10           HE1      MET  10  15.441  10.881   2.010
   75    HE2  MET  10           HE2      MET  10  14.816   9.241   2.190
   76    HE3  MET  10           HE3      MET  10  14.656  10.398   3.514
   77    H    ASN  11           HN       ASN  11  10.023   7.908   1.971
   78    HA   ASN  11           HA       ASN  11   7.377   8.862   2.844
   79    HB2  ASN  11           HB2      ASN  11   8.596   8.699   0.093
   80    HB3  ASN  11           HB1      ASN  11   6.874   8.963   0.375
   81   HD21  ASN  11          HD21      ASN  11   9.707  10.460  -0.271
   82   HD22  ASN  11          HD22      ASN  11   9.379  12.029   0.373
   83    H    SER  12           HN       SER  12   8.914   6.602   0.710
   84    HA   SER  12           HA       SER  12   7.220   5.147  -0.430
   85    HB2  SER  12           HB2      SER  12   9.552   4.491  -0.285
   86    HB3  SER  12           HB1      SER  12   9.328   3.963   1.396
   87    HG   SER  12           HG       SER  12   8.589   2.719  -1.011
   88    H    ILE  13           HN       ILE  13   7.980   3.948   2.795
   89    HA   ILE  13           HA       ILE  13   5.527   2.429   2.855
   90    HB   ILE  13           HB       ILE  13   7.856   2.558   4.775
   91   HG12  ILE  13          HG12      ILE  13   7.276   0.685   2.480
   92   HG13  ILE  13          HG11      ILE  13   8.478   1.999   2.503
   93   HG21  ILE  13          HG21      ILE  13   6.351   1.404   6.057
   94   HG22  ILE  13          HG22      ILE  13   6.926   0.063   5.064
   95   HG23  ILE  13          HG23      ILE  13   5.410   0.873   4.663
   96   HD11  ILE  13          HD11      ILE  13   9.130  -0.525   2.968
   97   HD12  ILE  13          HD12      ILE  13   8.638  -0.097   4.608
   98   HD13  ILE  13          HD13      ILE  13   9.923   0.809   3.808
   99    H    ASN  14           HN       ASN  14   6.453   5.445   3.903
  100    HA   ASN  14           HA       ASN  14   4.572   5.422   6.164
  101    HB2  ASN  14           HB2      ASN  14   6.466   7.598   5.266
  102    HB3  ASN  14           HB1      ASN  14   5.305   7.761   6.580
  103   HD21  ASN  14          HD21      ASN  14   8.428   7.256   5.972
  104   HD22  ASN  14          HD22      ASN  14   8.869   6.308   7.351
  105    H    SER  15           HN       SER  15   5.174   7.567   3.354
  106    HA   SER  15           HA       SER  15   2.688   8.828   3.466
  107    HB2  SER  15           HB2      SER  15   3.112   9.600   1.188
  108    HB3  SER  15           HB1      SER  15   4.546   9.776   2.199
  109    HG   SER  15           HG       SER  15   5.076   7.570   1.266
  110    H    VAL  16           HN       VAL  16   3.557   5.699   2.306
  111    HA   VAL  16           HA       VAL  16   1.576   5.202   0.402
  112    HB   VAL  16           HB       VAL  16   3.379   3.580   0.890
  113   HG11  VAL  16          HG11      VAL  16   3.433   2.218   2.802
  114   HG12  VAL  16          HG12      VAL  16   1.872   2.820   3.361
  115   HG13  VAL  16          HG13      VAL  16   3.280   3.882   3.367
  116   HG21  VAL  16          HG21      VAL  16   1.755   2.475  -0.287
  117   HG22  VAL  16          HG22      VAL  16   0.522   2.735   0.953
  118   HG23  VAL  16          HG23      VAL  16   1.771   1.514   1.189
  119    H    ASN  17           HN       ASN  17   1.445   5.177   3.909
  120    HA   ASN  17           HA       ASN  17  -1.208   4.146   4.120
  121    HB2  ASN  17           HB2      ASN  17   0.365   5.841   6.083
  122    HB3  ASN  17           HB1      ASN  17  -1.139   5.004   6.444
  123   HD21  ASN  17          HD21      ASN  17   0.481   3.029   4.399
  124   HD22  ASN  17          HD22      ASN  17   1.349   2.063   5.538
  125    H    ASP  18           HN       ASP  18   0.226   7.314   3.814
  126    HA   ASP  18           HA       ASP  18  -1.996   8.851   4.503
  127    HB2  ASP  18           HB2      ASP  18   0.405   9.391   2.767
  128    HB3  ASP  18           HB1      ASP  18  -0.771  10.621   3.156
  129    H    LYS  19           HN       LYS  19  -1.515   7.051   1.597
  130    HA   LYS  19           HA       LYS  19  -3.510   8.673   0.139
  131    HB2  LYS  19           HB2      LYS  19  -2.091   6.148  -0.730
  132    HB3  LYS  19           HB1      LYS  19  -3.291   7.002  -1.678
  133    HG2  LYS  19           HG2      LYS  19  -1.193   7.597  -2.559
  134    HG3  LYS  19           HG1      LYS  19  -1.793   9.009  -1.674
  135    HD2  LYS  19           HD2      LYS  19   0.503   8.811  -1.166
  136    HD3  LYS  19           HD1      LYS  19  -0.365   8.210   0.249
  137    HE2  LYS  19           HE2      LYS  19   1.489   6.746  -0.254
  138    HE3  LYS  19           HE1      LYS  19  -0.037   5.910  -0.538
  139    HZ1  LYS  19           HZ1      LYS  19   0.346   6.781  -2.969
  140    HZ2  LYS  19           HZ2      LYS  19   1.117   5.373  -2.422
  141    HZ3  LYS  19           HZ3      LYS  19   1.972   6.833  -2.478
  142    H    LEU  20           HN       LEU  20  -2.903   5.544   1.449
  143    HA   LEU  20           HA       LEU  20  -5.308   4.322   0.850
  144    HB2  LEU  20           HB2      LEU  20  -3.477   3.952   3.207
  145    HB3  LEU  20           HB1      LEU  20  -4.643   2.766   2.627
  146    HG   LEU  20           HG       LEU  20  -2.252   3.753   1.060
  147   HD11  LEU  20          HD11      LEU  20  -2.214   0.964   1.675
  148   HD12  LEU  20          HD12      LEU  20  -2.352   1.901   3.163
  149   HD13  LEU  20          HD13      LEU  20  -1.021   2.208   2.047
  150   HD21  LEU  20          HD21      LEU  20  -2.876   2.393  -0.667
  151   HD22  LEU  20          HD22      LEU  20  -4.464   2.878  -0.073
  152   HD23  LEU  20          HD23      LEU  20  -3.797   1.308   0.373
  153    H    ASN  21           HN       ASN  21  -4.232   6.259   3.542
  154    HA   ASN  21           HA       ASN  21  -6.613   6.012   5.094
  155    HB2  ASN  21           HB2      ASN  21  -4.182   7.793   5.260
  156    HB3  ASN  21           HB1      ASN  21  -5.513   7.941   6.399
  157   HD21  ASN  21          HD21      ASN  21  -5.219   4.731   5.532
  158   HD22  ASN  21          HD22      ASN  21  -4.217   4.193   6.847
  159    H    LYS  22           HN       LYS  22  -8.454   6.868   3.922
  160    HA   LYS  22           HA       LYS  22  -8.080   9.706   3.186
  161    HB2  LYS  22           HB2      LYS  22  -9.525   7.578   1.650
  162    HB3  LYS  22           HB1      LYS  22  -9.820   9.303   1.374
  163    HG2  LYS  22           HG2      LYS  22  -7.452   9.626   0.878
  164    HG3  LYS  22           HG1      LYS  22  -7.154   7.908   1.155
  165    HD2  LYS  22           HD2      LYS  22  -8.585   7.327  -0.694
  166    HD3  LYS  22           HD1      LYS  22  -9.006   9.026  -0.949
  167    HE2  LYS  22           HE2      LYS  22  -6.259   7.799  -1.225
  168    HE3  LYS  22           HE1      LYS  22  -7.312   8.294  -2.551
  169    HZ1  LYS  22           HZ1      LYS  22  -5.756  10.020  -2.238
  170    HZ2  LYS  22           HZ2      LYS  22  -5.968  10.033  -0.554
  171    HZ3  LYS  22           HZ3      LYS  22  -7.208  10.593  -1.568
  172    H    GLY  23           HN       GLY  23 -10.623   7.429   4.270
  173    HA2  GLY  23           HA2      GLY  23 -11.803   9.338   5.920
  174    HA3  GLY  23           HA1      GLY  23 -12.619   9.360   4.349
  175    H    LYS  24           HN       LYS  24 -14.004   7.694   3.800
  176    HA   LYS  24           HA       LYS  24 -15.377   6.371   5.821
  177    HB2  LYS  24           HB2      LYS  24 -16.185   6.695   3.475
  178    HB3  LYS  24           HB1      LYS  24 -15.119   5.355   2.986
  179    HG2  LYS  24           HG2      LYS  24 -16.341   3.793   4.133
  180    HG3  LYS  24           HG1      LYS  24 -17.114   4.976   5.188
  181    HD2  LYS  24           HD2      LYS  24 -18.744   4.191   3.649
  182    HD3  LYS  24           HD1      LYS  24 -18.293   5.836   3.190
  183    HE2  LYS  24           HE2      LYS  24 -16.854   4.974   1.431
  184    HE3  LYS  24           HE1      LYS  24 -17.217   3.317   1.919
  185    HZ1  LYS  24           HZ1      LYS  24 -19.622   3.906   1.456
  186    HZ2  LYS  24           HZ2      LYS  24 -18.610   3.753   0.099
  187    HZ3  LYS  24           HZ3      LYS  24 -19.040   5.299   0.676
  188    H    GLY  25           HN       GLY  25 -12.891   5.217   3.665
  189    HA2  GLY  25           HA2      GLY  25 -12.173   3.208   5.646
  190    HA3  GLY  25           HA1      GLY  25 -12.359   2.719   3.983
  191    H    LYS  26           HN       LYS  26 -10.106   2.511   5.591
  192    HA   LYS  26           HA       LYS  26  -8.147   4.073   4.111
  193    HB2  LYS  26           HB2      LYS  26  -7.192   4.411   6.534
  194    HB3  LYS  26           HB1      LYS  26  -8.406   5.515   5.870
  195    HG2  LYS  26           HG2      LYS  26 -10.107   3.948   6.843
  196    HG3  LYS  26           HG1      LYS  26  -8.779   3.212   7.743
  197    HD2  LYS  26           HD2      LYS  26  -9.922   4.853   9.137
  198    HD3  LYS  26           HD1      LYS  26  -8.286   5.402   8.769
  199    HE2  LYS  26           HE2      LYS  26 -10.628   6.261   7.107
  200    HE3  LYS  26           HE1      LYS  26 -10.228   7.095   8.617
  201    HZ1  LYS  26           HZ1      LYS  26  -8.736   6.997   6.091
  202    HZ2  LYS  26           HZ2      LYS  26  -7.875   7.201   7.538
  203    HZ3  LYS  26           HZ3      LYS  26  -9.071   8.324   7.090
  204    H    LEU  27           HN       LEU  27  -5.948   3.269   4.491
  205    HA   LEU  27           HA       LEU  27  -5.902   0.514   5.469
  206    HB2  LEU  27           HB2      LEU  27  -6.218   0.299   3.192
  207    HB3  LEU  27           HB1      LEU  27  -5.006   1.538   2.808
  208    HG   LEU  27           HG       LEU  27  -3.241   0.045   3.600
  209   HD11  LEU  27          HD11      LEU  27  -5.515  -1.890   4.034
  210   HD12  LEU  27          HD12      LEU  27  -4.366  -1.295   5.233
  211   HD13  LEU  27          HD13      LEU  27  -3.822  -2.375   3.949
  212   HD21  LEU  27          HD21      LEU  27  -4.185   0.070   1.221
  213   HD22  LEU  27          HD22      LEU  27  -4.922  -1.478   1.636
  214   HD23  LEU  27          HD23      LEU  27  -3.169  -1.295   1.685
  215    H    SER  28           HN       SER  28  -4.233   0.037   6.711
  216    HA   SER  28           HA       SER  28  -1.906   1.850   6.734
  217    HB2  SER  28           HB2      SER  28  -3.432   1.714   8.852
  218    HB3  SER  28           HB1      SER  28  -2.777   0.081   9.022
  219    HG   SER  28           HG       SER  28  -0.755   0.881   9.337
  220    H    LEU  29           HN       LEU  29  -0.042   0.838   6.129
  221    HA   LEU  29           HA       LEU  29   0.210  -1.927   6.805
  222    HB2  LEU  29           HB2      LEU  29   1.241  -2.348   4.468
  223    HB3  LEU  29           HB1      LEU  29  -0.511  -2.453   4.752
  224    HG   LEU  29           HG       LEU  29  -0.588  -0.046   4.121
  225   HD11  LEU  29          HD11      LEU  29   1.928   0.217   4.254
  226   HD12  LEU  29          HD12      LEU  29   1.129   0.944   2.859
  227   HD13  LEU  29          HD13      LEU  29   1.989  -0.585   2.683
  228   HD21  LEU  29          HD21      LEU  29   0.225  -1.433   1.663
  229   HD22  LEU  29          HD22      LEU  29  -1.322  -0.702   2.093
  230   HD23  LEU  29          HD23      LEU  29  -0.920  -2.319   2.670
  231    H    SER  30           HN       SER  30   2.257  -2.757   6.993
  232    HA   SER  30           HA       SER  30   4.569  -1.115   6.518
  233    HB2  SER  30           HB2      SER  30   5.272  -1.118   8.915
  234    HB3  SER  30           HB1      SER  30   3.830  -0.142   8.626
  235    HG   SER  30           HG       SER  30   2.570  -1.777   9.482
  236    H    MET  31           HN       MET  31   6.516  -2.374   7.710
  237    HA   MET  31           HA       MET  31   6.046  -5.245   7.196
  238    HB2  MET  31           HB2      MET  31   8.333  -5.438   6.407
  239    HB3  MET  31           HB1      MET  31   7.476  -4.200   5.464
  240    HG2  MET  31           HG2      MET  31   9.412  -3.667   7.720
  241    HG3  MET  31           HG1      MET  31   9.784  -3.565   6.001
  242    HE1  MET  31           HE1      MET  31  10.492  -0.600   6.225
  243    HE2  MET  31           HE2      MET  31  10.619  -1.546   7.708
  244    HE3  MET  31           HE3      MET  31   9.768  -0.001   7.717
  245    H    ASN  32           HN       ASN  32   7.631  -6.638   8.240
  246    HA   ASN  32           HA       ASN  32   8.769  -5.616  10.713
  247    HB2  ASN  32           HB2      ASN  32   6.439  -6.408  11.272
  248    HB3  ASN  32           HB1      ASN  32   6.896  -8.014  10.677
  249   HD21  ASN  32          HD21      ASN  32   6.509  -6.232  13.371
  250   HD22  ASN  32          HD22      ASN  32   7.590  -7.073  14.447
  251    H    GLY  33           HN       GLY  33  10.727  -6.002   9.613
  252    HA2  GLY  33           HA2      GLY  33  12.580  -7.315   9.056
  253    HA3  GLY  33           HA1      GLY  33  11.691  -8.740   9.643
  254    H    ASN  34           HN       ASN  34  10.588  -9.998   8.216
  255    HA   ASN  34           HA       ASN  34  10.665  -9.194   5.375
  256    HB2  ASN  34           HB2      ASN  34  10.681 -11.955   6.612
  257    HB3  ASN  34           HB1      ASN  34  10.470 -11.654   4.891
  258   HD21  ASN  34          HD21      ASN  34  12.474  -9.282   5.773
  259   HD22  ASN  34          HD22      ASN  34  14.009 -10.065   5.510
  260    H    GLN  35           HN       GLN  35   8.672  -9.014   7.802
  261    HA   GLN  35           HA       GLN  35   6.379 -10.391   6.684
  262    HB2  GLN  35           HB2      GLN  35   6.596  -8.651   9.132
  263    HB3  GLN  35           HB1      GLN  35   5.160  -9.540   8.644
  264    HG2  GLN  35           HG2      GLN  35   7.793 -10.820   9.337
  265    HG3  GLN  35           HG1      GLN  35   6.424 -10.640  10.427
  266   HE21  GLN  35          HE21      GLN  35   4.841 -11.119   7.718
  267   HE22  GLN  35          HE22      GLN  35   4.768 -12.852   7.666
  268    H    LEU  36           HN       LEU  36   4.334  -9.316   6.633
  269    HA   LEU  36           HA       LEU  36   4.443  -6.463   6.044
  270    HB2  LEU  36           HB2      LEU  36   4.545  -7.399   3.906
  271    HB3  LEU  36           HB1      LEU  36   3.293  -8.595   4.249
  272    HG   LEU  36           HG       LEU  36   2.614  -6.764   2.686
  273   HD11  LEU  36          HD11      LEU  36   0.629  -7.470   3.399
  274   HD12  LEU  36          HD12      LEU  36   0.632  -6.082   4.490
  275   HD13  LEU  36          HD13      LEU  36   1.202  -7.650   5.057
  276   HD21  LEU  36          HD21      LEU  36   2.820  -5.007   5.130
  277   HD22  LEU  36          HD22      LEU  36   2.143  -4.544   3.568
  278   HD23  LEU  36          HD23      LEU  36   3.858  -4.930   3.704
  279    H    LYS  37           HN       LYS  37   2.822  -5.354   6.905
  280    HA   LYS  37           HA       LYS  37   0.699  -6.889   8.247
  281    HB2  LYS  37           HB2      LYS  37   2.252  -4.524   9.344
  282    HB3  LYS  37           HB1      LYS  37   1.054  -5.506  10.220
  283    HG2  LYS  37           HG2      LYS  37   3.666  -6.558   9.118
  284    HG3  LYS  37           HG1      LYS  37   3.420  -6.027  10.801
  285    HD2  LYS  37           HD2      LYS  37   1.598  -7.730  10.990
  286    HD3  LYS  37           HD1      LYS  37   2.022  -8.276   9.370
  287    HE2  LYS  37           HE2      LYS  37   3.031  -9.713  11.029
  288    HE3  LYS  37           HE1      LYS  37   4.254  -8.833  10.116
  289    HZ1  LYS  37           HZ1      LYS  37   4.963  -8.673  12.308
  290    HZ2  LYS  37           HZ2      LYS  37   3.399  -8.439  12.918
  291    HZ3  LYS  37           HZ3      LYS  37   4.172  -7.184  12.073
  292    H    ALA  38           HN       ALA  38  -1.163  -6.242   7.194
  293    HA   ALA  38           HA       ALA  38  -1.483  -3.346   6.741
  294    HB1  ALA  38           HB1      ALA  38  -2.363  -5.711   5.122
  295    HB2  ALA  38           HB2      ALA  38  -1.413  -4.312   4.618
  296    HB3  ALA  38           HB3      ALA  38  -3.136  -4.135   4.947
  297    H    THR  39           HN       THR  39  -3.459  -2.394   7.121
  298    HA   THR  39           HA       THR  39  -5.609  -3.939   8.331
  299    HB   THR  39           HB       THR  39  -5.785  -2.272  10.191
  300    HG1  THR  39           HG1      THR  39  -4.414  -0.772   8.963
  301   HG21  THR  39          HG21      THR  39  -3.077  -3.212  10.692
  302   HG22  THR  39          HG22      THR  39  -4.175  -4.484  10.155
  303   HG23  THR  39          HG23      THR  39  -4.570  -3.521  11.581
  304    H    SER  40           HN       SER  40  -7.637  -2.899   8.177
  305    HA   SER  40           HA       SER  40  -7.656  -0.316   6.713
  306    HB2  SER  40           HB2      SER  40  -9.999  -0.866   6.097
  307    HB3  SER  40           HB1      SER  40  -8.809  -1.946   5.373
  308    HG   SER  40           HG       SER  40  -9.475  -3.060   7.655
  309    H    SER  41           HN       SER  41  -8.488   1.335   7.806
  310    HA   SER  41           HA       SER  41  -9.579   0.675  10.445
  311    HB2  SER  41           HB2      SER  41  -8.760   3.383   9.362
  312    HB3  SER  41           HB1      SER  41  -9.288   3.047  11.011
  313    HG   SER  41           HG       SER  41  -7.392   2.234  11.465
  314    H    ASN  42           HN       ASN  42 -11.528   1.423  11.146
  315    HA   ASN  42           HA       ASN  42 -13.773   1.904  10.999
  316    HB2  ASN  42           HB2      ASN  42 -13.239   2.512   8.072
  317    HB3  ASN  42           HB1      ASN  42 -14.866   2.557   8.849
  318   HD21  ASN  42          HD21      ASN  42 -12.335   4.402   7.899
  319   HD22  ASN  42          HD22      ASN  42 -12.541   5.759   8.981
  320    H    ALA  43           HN       ALA  43 -11.894  -0.378   9.875
  321    HA   ALA  43           HA       ALA  43 -12.103  -2.603   9.537
  322    HB1  ALA  43           HB1      ALA  43 -14.309  -1.756  11.264
  323    HB2  ALA  43           HB2      ALA  43 -13.061  -2.977  11.513
  324    HB3  ALA  43           HB3      ALA  43 -14.486  -3.357  10.546
  325    H    GLY  44           HN       GLY  44 -12.436  -1.881   7.047
  326    HA2  GLY  44           HA2      GLY  44 -13.204  -3.569   5.484
  327    HA3  GLY  44           HA1      GLY  44 -14.770  -3.457   6.325
  328    H    TYR  45           HN       TYR  45 -14.028  -0.401   6.109
  329    HA   TYR  45           HA       TYR  45 -15.813  -0.098   3.870
  330    HB2  TYR  45           HB2      TYR  45 -14.608   1.938   5.759
  331    HB3  TYR  45           HB1      TYR  45 -15.726   2.349   4.445
  332    HD1  TYR  45           HD1      TYR  45 -17.718   3.057   5.550
  333    HD2  TYR  45           HD2      TYR  45 -15.796  -0.523   6.848
  334    HE1  TYR  45           HE1      TYR  45 -19.589   2.594   7.055
  335    HE2  TYR  45           HE2      TYR  45 -17.674  -0.983   8.353
  336    HH   TYR  45           HH       TYR  45 -19.512  -0.090   9.334
  337    H    GLY  46           HN       GLY  46 -15.498   1.351   2.091
  338    HA2  GLY  46           HA2      GLY  46 -12.707   1.408   1.145
  339    HA3  GLY  46           HA1      GLY  46 -14.148   1.634   0.138
  340    H    ILE  47           HN       ILE  47 -12.385   3.527  -0.354
  341    HA   ILE  47           HA       ILE  47 -11.942   5.699   1.254
  342    HB   ILE  47           HB       ILE  47 -12.849   5.936  -1.593
  343   HG12  ILE  47          HG12      ILE  47 -11.166   4.227  -1.544
  344   HG13  ILE  47          HG11      ILE  47 -10.459   5.708  -2.192
  345   HG21  ILE  47          HG21      ILE  47 -10.633   7.590  -0.663
  346   HG22  ILE  47          HG22      ILE  47 -12.139   7.875   0.210
  347   HG23  ILE  47          HG23      ILE  47 -12.089   8.045  -1.546
  348   HD11  ILE  47          HD11      ILE  47  -8.965   4.524  -0.627
  349   HD12  ILE  47          HD12      ILE  47 -10.154   4.776   0.653
  350   HD13  ILE  47          HD13      ILE  47  -9.362   6.161  -0.099
  351    H    SER  48           HN       SER  48 -14.594   5.315  -1.015
  352    HA   SER  48           HA       SER  48 -16.678   6.205   0.613
  353    HB2  SER  48           HB2      SER  48 -15.357   8.357   0.490
  354    HB3  SER  48           HB1      SER  48 -15.612   8.351  -1.269
  355    HG   SER  48           HG       SER  48 -17.293   9.142   0.722
  356    H    TYR  49           HN       TYR  49 -17.557   7.858  -1.939
  357    HA   TYR  49           HA       TYR  49 -18.099   5.528  -3.658
  358    HB2  TYR  49           HB2      TYR  49 -19.411   8.231  -3.490
  359    HB3  TYR  49           HB1      TYR  49 -19.484   7.261  -4.968
  360    HD1  TYR  49           HD1      TYR  49 -19.465   5.776  -1.600
  361    HD2  TYR  49           HD2      TYR  49 -21.973   6.939  -4.859
  362    HE1  TYR  49           HE1      TYR  49 -21.324   4.502  -0.633
  363    HE2  TYR  49           HE2      TYR  49 -23.815   5.665  -3.886
  364    HH   TYR  49           HH       TYR  49 -23.932   3.552  -2.275
  365    H    GLU  50           HN       GLU  50 -15.851   5.535  -4.138
  366    HA   GLU  50           HA       GLU  50 -15.159   7.443  -6.238
  367    HB2  GLU  50           HB2      GLU  50 -13.580   6.846  -3.736
  368    HB3  GLU  50           HB1      GLU  50 -12.857   7.601  -5.144
  369    HG2  GLU  50           HG2      GLU  50 -14.404   9.470  -4.950
  370    HG3  GLU  50           HG1      GLU  50 -15.174   8.694  -3.558
  371    H    ASP  51           HN       ASP  51 -13.139   6.751  -7.428
  372    HA   ASP  51           HA       ASP  51 -12.688   3.876  -7.208
  373    HB2  ASP  51           HB2      ASP  51 -12.777   3.526  -9.598
  374    HB3  ASP  51           HB1      ASP  51 -14.295   4.245  -9.051
  375    H    LYS  52           HN       LYS  52 -10.695   3.186  -7.419
  376    HA   LYS  52           HA       LYS  52  -8.575   4.973  -8.321
  377    HB2  LYS  52           HB2      LYS  52  -8.758   3.743  -5.597
  378    HB3  LYS  52           HB1      LYS  52  -7.279   4.417  -6.251
  379    HG2  LYS  52           HG2      LYS  52  -8.089   6.068  -4.854
  380    HG3  LYS  52           HG1      LYS  52  -8.606   6.585  -6.449
  381    HD2  LYS  52           HD2      LYS  52 -10.844   5.555  -5.990
  382    HD3  LYS  52           HD1      LYS  52 -10.282   5.241  -4.341
  383    HE2  LYS  52           HE2      LYS  52 -10.492   7.947  -5.655
  384    HE3  LYS  52           HE1      LYS  52 -11.579   7.300  -4.429
  385    HZ1  LYS  52           HZ1      LYS  52 -10.006   8.790  -3.423
  386    HZ2  LYS  52           HZ2      LYS  52  -8.695   7.929  -4.079
  387    HZ3  LYS  52           HZ3      LYS  52  -9.680   7.209  -2.900
  388    H    ASN  53           HN       ASN  53  -6.784   3.866  -9.071
  389    HA   ASN  53           HA       ASN  53  -6.854   0.953  -8.696
  390    HB2  ASN  53           HB2      ASN  53  -6.036   2.475 -11.173
  391    HB3  ASN  53           HB1      ASN  53  -5.575   0.786 -10.884
  392   HD21  ASN  53          HD21      ASN  53  -8.549   1.267  -9.460
  393   HD22  ASN  53          HD22      ASN  53  -9.537   0.674 -10.766
  394    H    TRP  54           HN       TRP  54  -5.048   0.030  -7.955
  395    HA   TRP  54           HA       TRP  54  -2.829   1.867  -7.383
  396    HB2  TRP  54           HB2      TRP  54  -4.552   0.300  -5.638
  397    HB3  TRP  54           HB1      TRP  54  -2.826  -0.028  -5.357
  398    HD1  TRP  54           HD1      TRP  54  -5.064   3.179  -5.673
  399    HE1  TRP  54           HE1      TRP  54  -4.084   4.899  -4.019
  400    HE3  TRP  54           HE3      TRP  54  -1.198   0.430  -3.881
  401    HZ2  TRP  54           HZ2      TRP  54  -1.877   5.016  -2.226
  402    HZ3  TRP  54           HZ3      TRP  54   0.270   1.421  -2.206
  403    HH2  TRP  54           HH2      TRP  54  -0.074   3.656  -1.375
  404    H    GLY  55           HN       GLY  55  -0.792   0.866  -6.754
  405    HA2  GLY  55           HA2      GLY  55  -0.408  -1.883  -7.602
  406    HA3  GLY  55           HA1      GLY  55   0.501  -0.680  -8.515
  407    H    ILE  56           HN       ILE  56   1.684  -2.660  -7.203
  408    HA   ILE  56           HA       ILE  56   3.314  -1.331  -5.120
  409    HB   ILE  56           HB       ILE  56   2.297  -4.201  -5.069
  410   HG12  ILE  56          HG12      ILE  56   1.813  -1.973  -3.078
  411   HG13  ILE  56          HG11      ILE  56   0.658  -2.402  -4.359
  412   HG21  ILE  56          HG21      ILE  56   4.384  -4.419  -4.144
  413   HG22  ILE  56          HG22      ILE  56   3.434  -4.003  -2.716
  414   HG23  ILE  56          HG23      ILE  56   4.401  -2.768  -3.522
  415   HD11  ILE  56          HD11      ILE  56   1.472  -3.946  -1.927
  416   HD12  ILE  56          HD12      ILE  56   0.781  -4.766  -3.328
  417   HD13  ILE  56          HD13      ILE  56  -0.142  -3.514  -2.494
  418    H    PHE  57           HN       PHE  57   5.184  -1.101  -6.209
  419    HA   PHE  57           HA       PHE  57   5.842  -3.131  -8.202
  420    HB2  PHE  57           HB2      PHE  57   6.987  -0.336  -7.963
  421    HB3  PHE  57           HB1      PHE  57   7.182  -1.458  -9.327
  422    HD1  PHE  57           HD1      PHE  57   4.602   0.428  -7.417
  423    HD2  PHE  57           HD2      PHE  57   5.693  -1.375 -11.114
  424    HE1  PHE  57           HE1      PHE  57   2.590   1.344  -8.445
  425    HE2  PHE  57           HE2      PHE  57   3.663  -0.448 -12.158
  426    HZ   PHE  57           HZ       PHE  57   2.101   0.906 -10.806
  427    H    VAL  58           HN       VAL  58   7.057  -4.665  -7.347
  428    HA   VAL  58           HA       VAL  58   9.371  -4.013  -5.700
  429    HB   VAL  58           HB       VAL  58   8.370  -6.668  -6.772
  430   HG11  VAL  58          HG11      VAL  58  10.078  -7.763  -5.569
  431   HG12  VAL  58          HG12      VAL  58  10.558  -6.277  -4.745
  432   HG13  VAL  58          HG13      VAL  58  10.883  -6.477  -6.468
  433   HG21  VAL  58          HG21      VAL  58   7.161  -5.373  -4.880
  434   HG22  VAL  58          HG22      VAL  58   8.540  -5.876  -3.896
  435   HG23  VAL  58          HG23      VAL  58   7.511  -7.089  -4.667
  436    H    ASN  59           HN       ASN  59  10.978  -3.098  -6.811
  437    HA   ASN  59           HA       ASN  59  12.646  -2.747  -8.319
  438    HB2  ASN  59           HB2      ASN  59  12.023  -5.574  -9.222
  439    HB3  ASN  59           HB1      ASN  59  13.433  -4.618  -9.739
  440   HD21  ASN  59          HD21      ASN  59  12.461  -6.976  -7.710
  441   HD22  ASN  59          HD22      ASN  59  13.656  -6.815  -6.473
  442    H    GLY  60           HN       GLY  60  10.212  -1.694  -8.902
  443    HA2  GLY  60           HA2      GLY  60   9.012  -0.727 -10.579
  444    HA3  GLY  60           HA1      GLY  60  10.375  -1.125 -11.649
  445    H    GLU  61           HN       GLU  61   8.266  -3.241  -9.816
  446    HA   GLU  61           HA       GLU  61   6.937  -4.140 -12.247
  447    HB2  GLU  61           HB2      GLU  61   8.855  -5.646 -12.039
  448    HB3  GLU  61           HB1      GLU  61   8.412  -6.008 -10.373
  449    HG2  GLU  61           HG2      GLU  61   6.386  -7.080 -11.094
  450    HG3  GLU  61           HG1      GLU  61   6.707  -6.630 -12.777
  451    H    LYS  62           HN       LYS  62   4.876  -3.886 -11.796
  452    HA   LYS  62           HA       LYS  62   3.868  -3.699  -9.155
  453    HB2  LYS  62           HB2      LYS  62   2.928  -2.455 -11.046
  454    HB3  LYS  62           HB1      LYS  62   2.427  -3.980 -11.806
  455    HG2  LYS  62           HG2      LYS  62   0.845  -4.387 -10.015
  456    HG3  LYS  62           HG1      LYS  62   1.391  -2.908  -9.174
  457    HD2  LYS  62           HD2      LYS  62  -0.691  -2.536 -10.436
  458    HD3  LYS  62           HD1      LYS  62   0.639  -1.550 -11.054
  459    HE2  LYS  62           HE2      LYS  62   1.010  -3.243 -12.827
  460    HE3  LYS  62           HE1      LYS  62  -0.394  -4.129 -12.236
  461    HZ1  LYS  62           HZ1      LYS  62  -1.795  -2.252 -12.779
  462    HZ2  LYS  62           HZ2      LYS  62  -0.904  -2.720 -14.148
  463    HZ3  LYS  62           HZ3      LYS  62  -0.444  -1.340 -13.272
  464    H    VAL  63           HN       VAL  63   3.845  -5.438  -7.891
  465    HA   VAL  63           HA       VAL  63   3.340  -8.068  -8.982
  466    HB   VAL  63           HB       VAL  63   3.933  -8.915  -6.824
  467   HG11  VAL  63          HG11      VAL  63   5.727  -6.838  -8.015
  468   HG12  VAL  63          HG12      VAL  63   5.804  -8.594  -8.168
  469   HG13  VAL  63          HG13      VAL  63   6.247  -7.820  -6.645
  470   HG21  VAL  63          HG21      VAL  63   4.087  -6.032  -5.947
  471   HG22  VAL  63          HG22      VAL  63   4.660  -7.408  -5.004
  472   HG23  VAL  63          HG23      VAL  63   2.943  -7.244  -5.371
  473    H    TYR  64           HN       TYR  64   1.594  -5.658  -7.207
  474    HA   TYR  64           HA       TYR  64  -0.726  -7.424  -7.230
  475    HB2  TYR  64           HB2      TYR  64   0.217  -7.619  -4.957
  476    HB3  TYR  64           HB1      TYR  64   0.098  -5.854  -4.782
  477    HD1  TYR  64           HD1      TYR  64  -2.351  -8.261  -6.244
  478    HD2  TYR  64           HD2      TYR  64  -1.505  -5.534  -3.085
  479    HE1  TYR  64           HE1      TYR  64  -4.660  -8.484  -5.437
  480    HE2  TYR  64           HE2      TYR  64  -3.808  -5.759  -2.272
  481    HH   TYR  64           HH       TYR  64  -5.727  -7.941  -2.696
  482    H    THR  65           HN       THR  65  -2.573  -6.442  -7.769
  483    HA   THR  65           HA       THR  65  -2.610  -3.520  -7.878
  484    HB   THR  65           HB       THR  65  -3.991  -5.393  -9.679
  485    HG1  THR  65           HG1      THR  65  -1.694  -5.144 -10.027
  486   HG21  THR  65          HG21      THR  65  -4.278  -3.209 -11.039
  487   HG22  THR  65          HG22      THR  65  -4.105  -2.442  -9.461
  488   HG23  THR  65          HG23      THR  65  -5.412  -3.594  -9.744
  489    H    PHE  66           HN       PHE  66  -3.980  -2.676  -6.442
  490    HA   PHE  66           HA       PHE  66  -6.520  -4.095  -6.016
  491    HB2  PHE  66           HB2      PHE  66  -6.592  -3.453  -3.688
  492    HB3  PHE  66           HB1      PHE  66  -5.151  -4.454  -4.028
  493    HD1  PHE  66           HD1      PHE  66  -3.077  -3.739  -3.256
  494    HD2  PHE  66           HD2      PHE  66  -6.238  -0.909  -3.592
  495    HE1  PHE  66           HE1      PHE  66  -1.716  -2.072  -2.057
  496    HE2  PHE  66           HE2      PHE  66  -4.884   0.757  -2.413
  497    HZ   PHE  66           HZ       PHE  66  -2.613   0.196  -1.645
  498    H    ASN  67           HN       ASN  67  -8.260  -2.664  -5.394
  499    HA   ASN  67           HA       ASN  67  -7.841   0.051  -6.436
  500    HB2  ASN  67           HB2      ASN  67 -10.041  -0.169  -7.589
  501    HB3  ASN  67           HB1      ASN  67  -8.826  -1.294  -8.202
  502   HD21  ASN  67          HD21      ASN  67 -11.947  -1.074  -7.583
  503   HD22  ASN  67          HD22      ASN  67 -12.313  -2.702  -7.124
  504    H    GLU  68           HN       GLU  68  -8.862   1.674  -5.316
  505    HA   GLU  68           HA       GLU  68  -9.713   1.043  -2.709
  506    HB2  GLU  68           HB2      GLU  68 -10.100   3.661  -4.130
  507    HB3  GLU  68           HB1      GLU  68 -10.162   3.394  -2.402
  508    HG2  GLU  68           HG2      GLU  68  -7.735   3.116  -4.168
  509    HG3  GLU  68           HG1      GLU  68  -8.068   4.410  -3.005
  510    H    LYS  69           HN       LYS  69 -11.370   0.835  -5.555
  511    HA   LYS  69           HA       LYS  69 -14.063   1.395  -4.712
  512    HB2  LYS  69           HB2      LYS  69 -13.095  -0.700  -6.673
  513    HB3  LYS  69           HB1      LYS  69 -14.719   0.016  -6.588
  514    HG2  LYS  69           HG2      LYS  69 -13.846   2.166  -7.256
  515    HG3  LYS  69           HG1      LYS  69 -12.195   1.503  -7.308
  516    HD2  LYS  69           HD2      LYS  69 -12.961   1.572  -9.553
  517    HD3  LYS  69           HD1      LYS  69 -13.052  -0.118  -9.062
  518    HE2  LYS  69           HE2      LYS  69 -15.377   1.812  -9.123
  519    HE3  LYS  69           HE1      LYS  69 -15.008   0.633 -10.377
  520    HZ1  LYS  69           HZ1      LYS  69 -16.658  -0.340  -9.077
  521    HZ2  LYS  69           HZ2      LYS  69 -15.955   0.139  -7.610
  522    HZ3  LYS  69           HZ3      LYS  69 -15.235  -1.092  -8.541
  523    H    SER  70           HN       SER  70 -11.856  -1.301  -4.843
  524    HA   SER  70           HA       SER  70 -13.412  -3.145  -3.347
  525    HB2  SER  70           HB2      SER  70 -11.525  -3.903  -4.761
  526    HB3  SER  70           HB1      SER  70 -10.407  -2.997  -3.689
  527    HG   SER  70           HG       SER  70 -10.507  -4.582  -2.310
  528    H    THR  71           HN       THR  71 -13.792  -3.038  -1.221
  529    HA   THR  71           HA       THR  71 -13.059  -0.862   0.352
  530    HB   THR  71           HB       THR  71 -13.775  -2.231   2.228
  531    HG1  THR  71           HG1      THR  71 -13.952  -4.302   0.291
  532   HG21  THR  71          HG21      THR  71 -15.369  -1.252   0.346
  533   HG22  THR  71          HG22      THR  71 -15.967  -2.146   1.744
  534   HG23  THR  71          HG23      THR  71 -15.769  -2.963   0.192
  535    H    VAL  72           HN       VAL  72 -11.177  -0.337   1.330
  536    HA   VAL  72           HA       VAL  72  -8.903  -1.726   0.918
  537    HB   VAL  72           HB       VAL  72  -8.455  -0.150   3.246
  538   HG11  VAL  72          HG11      VAL  72  -7.812   0.668   0.439
  539   HG12  VAL  72          HG12      VAL  72  -7.081  -0.788   1.115
  540   HG13  VAL  72          HG13      VAL  72  -6.827   0.771   1.897
  541   HG21  VAL  72          HG21      VAL  72  -9.850   1.345   0.986
  542   HG22  VAL  72          HG22      VAL  72  -9.255   2.002   2.516
  543   HG23  VAL  72          HG23      VAL  72 -10.652   0.929   2.514
  544    H    GLY  73           HN       GLY  73 -11.305  -2.450   3.043
  545    HA2  GLY  73           HA2      GLY  73  -9.819  -3.904   5.028
  546    HA3  GLY  73           HA1      GLY  73 -11.537  -3.964   4.702
  547    H    ASN  74           HN       ASN  74 -11.955  -4.846   2.328
  548    HA   ASN  74           HA       ASN  74 -11.216  -7.588   2.390
  549    HB2  ASN  74           HB2      ASN  74 -13.312  -6.731   1.327
  550    HB3  ASN  74           HB1      ASN  74 -12.333  -5.975   0.063
  551   HD21  ASN  74          HD21      ASN  74 -14.295  -8.485   0.618
  552   HD22  ASN  74          HD22      ASN  74 -13.617  -9.662  -0.472
  553    H    ILE  75           HN       ILE  75  -9.771  -4.766   1.094
  554    HA   ILE  75           HA       ILE  75  -7.980  -6.094  -0.757
  555    HB   ILE  75           HB       ILE  75  -7.717  -3.438   0.596
  556   HG12  ILE  75          HG12      ILE  75  -8.657  -4.058  -2.241
  557   HG13  ILE  75          HG11      ILE  75  -9.684  -3.513  -0.883
  558   HG21  ILE  75          HG21      ILE  75  -6.093  -2.961  -1.253
  559   HG22  ILE  75          HG22      ILE  75  -6.125  -4.689  -1.606
  560   HG23  ILE  75          HG23      ILE  75  -5.560  -4.120  -0.038
  561   HD11  ILE  75          HD11      ILE  75  -7.538  -1.680  -1.152
  562   HD12  ILE  75          HD12      ILE  75  -9.261  -1.423  -1.426
  563   HD13  ILE  75          HD13      ILE  75  -8.230  -1.962  -2.748
  564    H    SER  76           HN       SER  76  -7.767  -4.917   2.592
  565    HA   SER  76           HA       SER  76  -5.069  -5.776   2.895
  566    HB2  SER  76           HB2      SER  76  -5.871  -3.989   4.290
  567    HB3  SER  76           HB1      SER  76  -7.164  -5.008   4.940
  568    HG   SER  76           HG       SER  76  -4.868  -6.265   5.359
  569    H    ASN  77           HN       ASN  77  -8.128  -7.317   3.210
  570    HA   ASN  77           HA       ASN  77  -7.274  -9.617   4.664
  571    HB2  ASN  77           HB2      ASN  77  -9.442  -9.261   2.578
  572    HB3  ASN  77           HB1      ASN  77  -9.176 -10.756   3.480
  573   HD21  ASN  77          HD21      ASN  77  -8.369  -8.449   5.607
  574   HD22  ASN  77          HD22      ASN  77  -9.902  -8.200   6.378
  575    H    ASP  78           HN       ASP  78  -6.845  -8.386   1.481
  576    HA   ASP  78           HA       ASP  78  -5.713 -10.847   0.445
  577    HB2  ASP  78           HB2      ASP  78  -6.165  -8.118  -0.739
  578    HB3  ASP  78           HB1      ASP  78  -5.204  -9.351  -1.580
  579    H    ILE  79           HN       ILE  79  -4.612  -7.690   1.566
  580    HA   ILE  79           HA       ILE  79  -1.993  -7.945   0.605
  581    HB   ILE  79           HB       ILE  79  -2.762  -6.367   3.097
  582   HG12  ILE  79          HG12      ILE  79  -2.941  -5.585   0.166
  583   HG13  ILE  79          HG11      ILE  79  -4.328  -5.928   1.225
  584   HG21  ILE  79          HG21      ILE  79  -0.667  -5.601   2.971
  585   HG22  ILE  79          HG22      ILE  79  -0.955  -5.048   1.323
  586   HG23  ILE  79          HG23      ILE  79  -0.348  -6.678   1.613
  587   HD11  ILE  79          HD11      ILE  79  -3.613  -4.024   2.641
  588   HD12  ILE  79          HD12      ILE  79  -4.068  -3.565   0.998
  589   HD13  ILE  79          HD13      ILE  79  -2.364  -3.659   1.450
  590    H    ASN  80           HN       ASN  80  -3.526  -9.237   3.431
  591    HA   ASN  80           HA       ASN  80  -1.172  -9.872   4.860
  592    HB2  ASN  80           HB2      ASN  80  -4.011 -10.838   5.032
  593    HB3  ASN  80           HB1      ASN  80  -2.742 -11.472   6.061
  594   HD21  ASN  80          HD21      ASN  80  -2.644 -10.559   7.967
  595   HD22  ASN  80          HD22      ASN  80  -3.056  -8.912   8.343
  596    H    LYS  81           HN       LYS  81  -2.913 -11.511   2.262
  597    HA   LYS  81           HA       LYS  81  -1.310 -13.875   2.683
  598    HB2  LYS  81           HB2      LYS  81  -2.356 -14.727   0.573
  599    HB3  LYS  81           HB1      LYS  81  -3.449 -14.449   1.916
  600    HG2  LYS  81           HG2      LYS  81  -3.197 -12.144   0.163
  601    HG3  LYS  81           HG1      LYS  81  -3.808 -13.599  -0.653
  602    HD2  LYS  81           HD2      LYS  81  -4.874 -12.505   1.938
  603    HD3  LYS  81           HD1      LYS  81  -5.587 -12.178   0.353
  604    HE2  LYS  81           HE2      LYS  81  -5.286 -14.884   1.661
  605    HE3  LYS  81           HE1      LYS  81  -6.788 -13.979   1.467
  606    HZ1  LYS  81           HZ1      LYS  81  -5.118 -15.208  -0.663
  607    HZ2  LYS  81           HZ2      LYS  81  -6.354 -14.088  -0.993
  608    HZ3  LYS  81           HZ3      LYS  81  -6.728 -15.573  -0.257
  609    H    LEU  82           HN       LEU  82  -1.637 -11.345   0.185
  610    HA   LEU  82           HA       LEU  82   0.292 -12.122  -1.583
  611    HB2  LEU  82           HB2      LEU  82  -0.764  -9.493  -0.721
  612    HB3  LEU  82           HB1      LEU  82   0.594  -9.564  -1.861
  613    HG   LEU  82           HG       LEU  82  -1.627  -9.374  -2.917
  614   HD11  LEU  82          HD11      LEU  82  -1.217 -10.953  -4.672
  615   HD12  LEU  82          HD12      LEU  82  -0.245 -11.945  -3.585
  616   HD13  LEU  82          HD13      LEU  82   0.328 -10.350  -4.073
  617   HD21  LEU  82          HD21      LEU  82  -3.087 -11.301  -3.098
  618   HD22  LEU  82          HD22      LEU  82  -2.977 -10.713  -1.439
  619   HD23  LEU  82          HD23      LEU  82  -2.080 -12.154  -1.928
  620    H    ASN  83           HN       ASN  83   0.763 -10.804   1.590
  621    HA   ASN  83           HA       ASN  83   2.601 -10.283   2.839
  622    HB2  ASN  83           HB2      ASN  83   2.941 -12.735   2.397
  623    HB3  ASN  83           HB1      ASN  83   3.983 -12.294   1.043
  624   HD21  ASN  83          HD21      ASN  83   4.384 -10.027   3.449
  625   HD22  ASN  83          HD22      ASN  83   5.785 -10.708   4.220
  626    H    ILE  84           HN       ILE  84   2.396  -8.200   1.568
  627    HA   ILE  84           HA       ILE  84   4.217  -7.678  -0.529
  628    HB   ILE  84           HB       ILE  84   2.721  -5.718   1.185
  629   HG12  ILE  84          HG12      ILE  84   1.221  -7.293   0.049
  630   HG13  ILE  84          HG11      ILE  84   1.099  -5.673  -0.680
  631   HG21  ILE  84          HG21      ILE  84   3.079  -4.120  -0.580
  632   HG22  ILE  84          HG22      ILE  84   3.930  -5.328  -1.543
  633   HG23  ILE  84          HG23      ILE  84   4.634  -4.746  -0.034
  634   HD11  ILE  84          HD11      ILE  84   2.366  -8.153  -1.782
  635   HD12  ILE  84          HD12      ILE  84   2.807  -6.556  -2.382
  636   HD13  ILE  84          HD13      ILE  84   1.138  -7.111  -2.499
  637    H    LYS  85           HN       LYS  85   6.346  -7.930  -0.059
  638    HA   LYS  85           HA       LYS  85   7.464  -6.004   1.796
  639    HB2  LYS  85           HB2      LYS  85   9.068  -7.868   2.622
  640    HB3  LYS  85           HB1      LYS  85   7.484  -7.678   3.340
  641    HG2  LYS  85           HG2      LYS  85   7.955 -10.002   3.084
  642    HG3  LYS  85           HG1      LYS  85   6.661  -9.563   1.979
  643    HD2  LYS  85           HD2      LYS  85   9.523  -9.722   1.064
  644    HD3  LYS  85           HD1      LYS  85   8.515 -11.163   1.172
  645    HE2  LYS  85           HE2      LYS  85   6.890 -10.093  -0.356
  646    HE3  LYS  85           HE1      LYS  85   7.976  -8.710  -0.502
  647    HZ1  LYS  85           HZ1      LYS  85   9.136 -11.324  -1.066
  648    HZ2  LYS  85           HZ2      LYS  85   9.375  -9.832  -1.848
  649    HZ3  LYS  85           HZ3      LYS  85   7.994 -10.754  -2.187
  650    H    GLY  86           HN       GLY  86  10.063  -6.637   1.799
  651    HA2  GLY  86           HA2      GLY  86  10.958  -5.398  -0.532
  652    HA3  GLY  86           HA1      GLY  86  11.986  -6.208   0.654
  653    HA   PRO  87           HA       PRO  87  13.151  -5.323  -1.007
  654    HB2  PRO  87           HB2      PRO  87  14.737  -5.194  -3.106
  655    HB3  PRO  87           HB1      PRO  87  14.989  -6.408  -1.848
  656    HG2  PRO  87           HG2      PRO  87  13.782  -6.698  -4.559
  657    HG3  PRO  87           HG1      PRO  87  14.867  -7.805  -3.700
  658    HD2  PRO  87           HD2      PRO  87  12.051  -8.017  -3.816
  659    HD3  PRO  87           HD1      PRO  87  13.133  -8.869  -2.670
  660    H    TYR  88           HN       TYR  88  13.626  -3.305  -2.358
  661    HA   TYR  88           HA       TYR  88  12.625  -1.405  -3.203
  662    HB2  TYR  88           HB2      TYR  88  12.613  -3.349  -5.521
  663    HB3  TYR  88           HB1      TYR  88  12.277  -1.597  -5.698
  664    HD1  TYR  88           HD1      TYR  88  14.046  -0.844  -6.976
  665    HD2  TYR  88           HD2      TYR  88  14.894  -3.294  -3.606
  666    HE1  TYR  88           HE1      TYR  88  16.446  -0.427  -7.287
  667    HE2  TYR  88           HE2      TYR  88  17.298  -2.884  -3.907
  668    HH   TYR  88           HH       TYR  88  18.643  -1.775  -6.640
  669    H    ILE  89           HN       ILE  89  10.668  -1.127  -2.097
  670    HA   ILE  89           HA       ILE  89   8.313  -2.303  -3.427
  671    HB   ILE  89           HB       ILE  89   8.379  -1.155  -0.623
  672   HG12  ILE  89          HG12      ILE  89   8.257  -3.770  -0.105
  673   HG13  ILE  89          HG11      ILE  89   9.044  -3.856  -1.708
  674   HG21  ILE  89          HG21      ILE  89   6.163  -1.266  -1.399
  675   HG22  ILE  89          HG22      ILE  89   6.379  -2.727  -0.436
  676   HG23  ILE  89          HG23      ILE  89   6.429  -2.816  -2.196
  677   HD11  ILE  89          HD11      ILE  89  10.285  -1.935   0.114
  678   HD12  ILE  89          HD12      ILE  89  11.013  -3.178  -0.898
  679   HD13  ILE  89          HD13      ILE  89  10.347  -3.601   0.682
  680    H    GLU  90           HN       GLU  90   7.104  -1.063  -4.522
  681    HA   GLU  90           HA       GLU  90   6.924   1.788  -3.795
  682    HB2  GLU  90           HB2      GLU  90   6.946   0.664  -6.609
  683    HB3  GLU  90           HB1      GLU  90   6.659   2.365  -6.181
  684    HG2  GLU  90           HG2      GLU  90   8.906   2.459  -5.183
  685    HG3  GLU  90           HG1      GLU  90   9.184   0.790  -5.681
  686    H    ILE  91           HN       ILE  91   5.080   1.447  -2.620
  687    HA   ILE  91           HA       ILE  91   2.709   0.370  -3.955
  688    HB   ILE  91           HB       ILE  91   2.807   1.250  -1.081
  689   HG12  ILE  91          HG12      ILE  91   3.785  -1.413  -2.116
  690   HG13  ILE  91          HG11      ILE  91   4.803  -0.157  -1.419
  691   HG21  ILE  91          HG21      ILE  91   0.946  -0.140  -2.711
  692   HG22  ILE  91          HG22      ILE  91   0.817   0.249  -0.989
  693   HG23  ILE  91          HG23      ILE  91   1.554  -1.265  -1.501
  694   HD11  ILE  91          HD11      ILE  91   2.537  -1.088   0.227
  695   HD12  ILE  91          HD12      ILE  91   4.181  -0.649   0.699
  696   HD13  ILE  91          HD13      ILE  91   3.860  -2.227  -0.024
  697    H    LYS  92           HN       LYS  92   1.567   1.936  -5.065
  698    HA   LYS  92           HA       LYS  92   0.624   4.280  -3.723
  699    HB2  LYS  92           HB2      LYS  92   1.778   5.975  -4.800
  700    HB3  LYS  92           HB1      LYS  92   3.060   4.765  -4.704
  701    HG2  LYS  92           HG2      LYS  92   1.349   5.411  -7.103
  702    HG3  LYS  92           HG1      LYS  92   3.052   5.795  -6.879
  703    HD2  LYS  92           HD2      LYS  92   3.659   3.480  -7.016
  704    HD3  LYS  92           HD1      LYS  92   1.964   2.984  -6.962
  705    HE2  LYS  92           HE2      LYS  92   2.870   2.884  -9.237
  706    HE3  LYS  92           HE1      LYS  92   1.550   4.054  -9.114
  707    HZ1  LYS  92           HZ1      LYS  92   4.411   4.838  -8.909
  708    HZ2  LYS  92           HZ2      LYS  92   3.064   5.839  -9.193
  709    HZ3  LYS  92           HZ3      LYS  92   3.591   4.760 -10.398
  710    H    GLN  93           HN       GLN  93  -0.709   5.640  -5.427
  711    HA   GLN  93           HA       GLN  93  -2.165   3.712  -7.024
  712    HB2  GLN  93           HB2      GLN  93  -3.652   5.567  -7.644
  713    HB3  GLN  93           HB1      GLN  93  -3.557   5.286  -5.900
  714    HG2  GLN  93           HG2      GLN  93  -1.917   7.112  -5.748
  715    HG3  GLN  93           HG1      GLN  93  -2.185   7.461  -7.454
  716   HE21  GLN  93          HE21      GLN  93  -3.515   9.077  -7.788
  717   HE22  GLN  93          HE22      GLN  93  -4.859   9.522  -6.796
  718    H    ILE  94           HN       ILE  94  -2.652   4.089  -9.212
  719    HA   ILE  94           HA       ILE  94  -0.288   5.051 -10.663
  720    HB   ILE  94           HB       ILE  94  -1.003   3.278 -12.297
  721   HG12  ILE  94          HG12      ILE  94  -2.647   2.495  -9.888
  722   HG13  ILE  94          HG11      ILE  94  -3.267   3.004 -11.457
  723   HG21  ILE  94          HG21      ILE  94   0.047   1.470 -11.000
  724   HG22  ILE  94          HG22      ILE  94  -0.109   2.452  -9.544
  725   HG23  ILE  94          HG23      ILE  94   0.929   2.992 -10.864
  726   HD11  ILE  94          HD11      ILE  94  -2.376   0.424 -10.522
  727   HD12  ILE  94          HD12      ILE  94  -1.674   0.873 -12.078
  728   HD13  ILE  94          HD13      ILE  94  -3.427   0.839 -11.875
  Start of MODEL   21
    1    H    ASP   1           HT1      ASP   1  12.697   8.756  -9.652
    2    HA   ASP   1           HA       ASP   1  13.892  10.749  -8.389
    3    HB2  ASP   1           HB2      ASP   1  12.887   9.816  -6.326
    4    HB3  ASP   1           HB1      ASP   1  11.809   9.693  -7.709
    5    H    ASN   2           HN       ASN   2  14.663  10.079  -5.836
    6    HA   ASN   2           HA       ASN   2  17.355   8.997  -6.323
    7    HB2  ASN   2           HB2      ASN   2  16.359  10.951  -4.242
    8    HB3  ASN   2           HB1      ASN   2  17.976  10.261  -4.234
    9   HD21  ASN   2          HD21      ASN   2  17.307  10.499  -7.392
   10   HD22  ASN   2          HD22      ASN   2  17.914  12.084  -7.716
   11    H    GLN   3           HN       GLN   3  17.980   7.192  -5.332
   12    HA   GLN   3           HA       GLN   3  16.128   5.915  -3.494
   13    HB2  GLN   3           HB2      GLN   3  17.624   3.954  -3.698
   14    HB3  GLN   3           HB1      GLN   3  17.018   4.528  -5.246
   15    HG2  GLN   3           HG2      GLN   3  19.161   5.659  -5.645
   16    HG3  GLN   3           HG1      GLN   3  19.763   5.021  -4.112
   17   HE21  GLN   3          HE21      GLN   3  21.033   3.328  -4.383
   18   HE22  GLN   3          HE22      GLN   3  20.865   2.115  -5.604
   19    H    LYS   4           HN       LYS   4  18.223   8.216  -2.961
   20    HA   LYS   4           HA       LYS   4  19.124   7.045  -0.421
   21    HB2  LYS   4           HB2      LYS   4  20.794   8.830  -0.238
   22    HB3  LYS   4           HB1      LYS   4  21.046   7.874  -1.687
   23    HG2  LYS   4           HG2      LYS   4  19.600  10.511  -1.719
   24    HG3  LYS   4           HG1      LYS   4  21.349  10.383  -1.882
   25    HD2  LYS   4           HD2      LYS   4  19.339   9.062  -3.704
   26    HD3  LYS   4           HD1      LYS   4  20.180  10.574  -4.049
   27    HE2  LYS   4           HE2      LYS   4  22.334   9.372  -3.888
   28    HE3  LYS   4           HE1      LYS   4  21.451   7.866  -3.640
   29    HZ1  LYS   4           HZ1      LYS   4  21.509   9.567  -6.071
   30    HZ2  LYS   4           HZ2      LYS   4  20.355   8.342  -5.847
   31    HZ3  LYS   4           HZ3      LYS   4  22.004   7.948  -5.912
   32    H    ALA   5           HN       ALA   5  16.562   8.335  -1.473
   33    HA   ALA   5           HA       ALA   5  16.167  10.788  -0.171
   34    HB1  ALA   5           HB1      ALA   5  13.880   8.915  -0.499
   35    HB2  ALA   5           HB2      ALA   5  14.721   9.474  -1.946
   36    HB3  ALA   5           HB3      ALA   5  13.987  10.642  -0.847
   37    H    LEU   6           HN       LEU   6  15.636  11.316   1.867
   38    HA   LEU   6           HA       LEU   6  15.853   9.260   3.876
   39    HB2  LEU   6           HB2      LEU   6  15.416  12.236   4.159
   40    HB3  LEU   6           HB1      LEU   6  15.691  11.137   5.490
   41    HG   LEU   6           HG       LEU   6  17.724  12.295   5.081
   42   HD11  LEU   6          HD11      LEU   6  19.247  10.433   4.386
   43   HD12  LEU   6          HD12      LEU   6  17.803   9.479   4.046
   44   HD13  LEU   6          HD13      LEU   6  18.118  10.052   5.685
   45   HD21  LEU   6          HD21      LEU   6  17.532  11.417   2.205
   46   HD22  LEU   6          HD22      LEU   6  18.886  12.278   2.937
   47   HD23  LEU   6          HD23      LEU   6  17.310  13.060   2.812
   48    H    GLU   7           HN       GLU   7  13.319  10.254   2.065
   49    HA   GLU   7           HA       GLU   7  11.329  10.636   4.065
   50    HB2  GLU   7           HB2      GLU   7  11.037   9.988   1.131
   51    HB3  GLU   7           HB1      GLU   7   9.708  10.418   2.194
   52    HG2  GLU   7           HG2      GLU   7  10.764  12.609   2.577
   53    HG3  GLU   7           HG1      GLU   7  12.036  12.165   1.435
   54    H    GLU   8           HN       GLU   8  12.900   7.828   3.295
   55    HA   GLU   8           HA       GLU   8  10.964   5.999   2.694
   56    HB2  GLU   8           HB2      GLU   8  12.445   4.275   3.722
   57    HB3  GLU   8           HB1      GLU   8  13.237   5.352   2.583
   58    HG2  GLU   8           HG2      GLU   8  14.156   6.635   4.463
   59    HG3  GLU   8           HG1      GLU   8  13.393   5.507   5.585
   60    H    GLN   9           HN       GLN   9  11.943   6.816   6.041
   61    HA   GLN   9           HA       GLN   9   9.488   5.492   6.969
   62    HB2  GLN   9           HB2      GLN   9  10.350   5.716   9.247
   63    HB3  GLN   9           HB1      GLN   9  11.492   4.860   8.225
   64    HG2  GLN   9           HG2      GLN   9  11.721   7.787   8.895
   65    HG3  GLN   9           HG1      GLN   9  12.492   6.503   9.823
   66   HE21  GLN   9          HE21      GLN   9  12.937   8.696   7.408
   67   HE22  GLN   9          HE22      GLN   9  14.280   7.965   6.599
   68    H    MET  10           HN       MET  10   9.976   8.240   5.616
   69    HA   MET  10           HA       MET  10   8.811   9.911   7.738
   70    HB2  MET  10           HB2      MET  10  10.113  10.752   5.144
   71    HB3  MET  10           HB1      MET  10   9.509  11.838   6.388
   72    HG2  MET  10           HG2      MET  10  11.774   9.878   6.667
   73    HG3  MET  10           HG1      MET  10  11.905  11.631   6.543
   74    HE1  MET  10           HE1      MET  10  13.483  11.429   8.505
   75    HE2  MET  10           HE2      MET  10  13.200   9.797   9.110
   76    HE3  MET  10           HE3      MET  10  13.005  11.182  10.185
   77    H    ASN  11           HN       ASN  11   8.547   9.985   4.191
   78    HA   ASN  11           HA       ASN  11   5.636  10.298   4.525
   79    HB2  ASN  11           HB2      ASN  11   7.437  10.994   2.214
   80    HB3  ASN  11           HB1      ASN  11   5.681  10.908   2.078
   81   HD21  ASN  11          HD21      ASN  11   6.265  11.938   5.133
   82   HD22  ASN  11          HD22      ASN  11   6.235  13.646   4.883
   83    H    SER  12           HN       SER  12   8.114   8.722   2.709
   84    HA   SER  12           HA       SER  12   7.016   7.470   0.775
   85    HB2  SER  12           HB2      SER  12   9.330   7.110   1.402
   86    HB3  SER  12           HB1      SER  12   8.831   6.149   2.813
   87    HG   SER  12           HG       SER  12   8.345   5.462   0.075
   88    H    ILE  13           HN       ILE  13   7.246   5.540   3.713
   89    HA   ILE  13           HA       ILE  13   4.975   3.926   2.888
   90    HB   ILE  13           HB       ILE  13   6.864   3.656   5.198
   91   HG12  ILE  13          HG12      ILE  13   6.962   2.425   2.452
   92   HG13  ILE  13          HG11      ILE  13   8.018   3.715   3.080
   93   HG21  ILE  13          HG21      ILE  13   5.967   1.621   5.685
   94   HG22  ILE  13          HG22      ILE  13   5.582   1.281   3.997
   95   HG23  ILE  13          HG23      ILE  13   4.534   2.336   4.946
   96   HD11  ILE  13          HD11      ILE  13   8.598   1.050   3.086
   97   HD12  ILE  13          HD12      ILE  13   7.966   1.285   4.717
   98   HD13  ILE  13          HD13      ILE  13   9.330   2.249   4.154
   99    H    ASN  14           HN       ASN  14   5.562   6.603   4.792
  100    HA   ASN  14           HA       ASN  14   3.517   5.961   6.775
  101    HB2  ASN  14           HB2      ASN  14   5.323   8.371   6.533
  102    HB3  ASN  14           HB1      ASN  14   4.156   8.116   7.827
  103   HD21  ASN  14          HD21      ASN  14   5.073   7.414   9.617
  104   HD22  ASN  14          HD22      ASN  14   6.426   6.345   9.717
  105    H    SER  15           HN       SER  15   4.093   8.706   4.516
  106    HA   SER  15           HA       SER  15   1.388   9.581   4.774
  107    HB2  SER  15           HB2      SER  15   1.782  11.124   2.974
  108    HB3  SER  15           HB1      SER  15   3.147  11.172   4.093
  109    HG   SER  15           HG       SER  15   3.920   9.413   2.422
  110    H    VAL  16           HN       VAL  16   2.903   7.060   3.089
  111    HA   VAL  16           HA       VAL  16   1.260   6.730   0.825
  112    HB   VAL  16           HB       VAL  16   3.334   5.342   1.682
  113   HG11  VAL  16          HG11      VAL  16   2.261   4.522   3.722
  114   HG12  VAL  16          HG12      VAL  16   2.764   3.204   2.665
  115   HG13  VAL  16          HG13      VAL  16   1.060   3.669   2.745
  116   HG21  VAL  16          HG21      VAL  16   2.815   3.530   0.237
  117   HG22  VAL  16          HG22      VAL  16   2.216   5.030  -0.479
  118   HG23  VAL  16          HG23      VAL  16   1.093   3.913   0.309
  119    H    ASN  17           HN       ASN  17   0.732   6.436   4.172
  120    HA   ASN  17           HA       ASN  17  -1.688   4.861   4.003
  121    HB2  ASN  17           HB2      ASN  17  -0.310   6.221   6.327
  122    HB3  ASN  17           HB1      ASN  17  -1.795   5.288   6.473
  123   HD21  ASN  17          HD21      ASN  17  -0.341   3.682   4.150
  124   HD22  ASN  17          HD22      ASN  17   0.619   2.567   5.050
  125    H    ASP  18           HN       ASP  18  -0.695   8.182   4.338
  126    HA   ASP  18           HA       ASP  18  -3.188   9.281   5.097
  127    HB2  ASP  18           HB2      ASP  18  -0.890  10.471   3.526
  128    HB3  ASP  18           HB1      ASP  18  -2.258  11.410   4.093
  129    H    LYS  19           HN       LYS  19  -2.289   7.812   2.123
  130    HA   LYS  19           HA       LYS  19  -4.316   9.273   0.580
  131    HB2  LYS  19           HB2      LYS  19  -2.619   6.893  -0.162
  132    HB3  LYS  19           HB1      LYS  19  -3.922   7.491  -1.161
  133    HG2  LYS  19           HG2      LYS  19  -1.950   8.311  -2.114
  134    HG3  LYS  19           HG1      LYS  19  -2.716   9.684  -1.306
  135    HD2  LYS  19           HD2      LYS  19  -0.564   8.074   0.024
  136    HD3  LYS  19           HD1      LYS  19  -0.187   9.365  -1.104
  137    HE2  LYS  19           HE2      LYS  19  -1.848   9.690   1.374
  138    HE3  LYS  19           HE1      LYS  19  -0.132  10.062   1.268
  139    HZ1  LYS  19           HZ1      LYS  19  -0.672  12.066   0.522
  140    HZ2  LYS  19           HZ2      LYS  19  -2.328  11.686   0.561
  141    HZ3  LYS  19           HZ3      LYS  19  -1.418  11.381  -0.843
  142    H    LEU  20           HN       LEU  20  -3.515   6.154   1.777
  143    HA   LEU  20           HA       LEU  20  -5.786   4.756   1.050
  144    HB2  LEU  20           HB2      LEU  20  -3.907   4.362   3.366
  145    HB3  LEU  20           HB1      LEU  20  -4.928   3.112   2.659
  146    HG   LEU  20           HG       LEU  20  -2.664   4.519   1.220
  147   HD11  LEU  20          HD11      LEU  20  -2.752   2.133   2.917
  148   HD12  LEU  20          HD12      LEU  20  -1.395   3.162   2.459
  149   HD13  LEU  20          HD13      LEU  20  -1.964   1.911   1.355
  150   HD21  LEU  20          HD21      LEU  20  -3.158   3.322  -0.649
  151   HD22  LEU  20          HD22      LEU  20  -4.787   3.473   0.011
  152   HD23  LEU  20          HD23      LEU  20  -3.869   1.987   0.257
  153    H    ASN  21           HN       ASN  21  -4.879   6.454   3.958
  154    HA   ASN  21           HA       ASN  21  -7.278   5.822   5.402
  155    HB2  ASN  21           HB2      ASN  21  -4.874   7.548   6.002
  156    HB3  ASN  21           HB1      ASN  21  -6.240   7.441   7.103
  157   HD21  ASN  21          HD21      ASN  21  -3.253   6.488   6.824
  158   HD22  ASN  21          HD22      ASN  21  -3.323   4.889   7.518
  159    H    LYS  22           HN       LYS  22  -9.084   6.891   4.401
  160    HA   LYS  22           HA       LYS  22  -8.705   9.821   4.270
  161    HB2  LYS  22           HB2      LYS  22 -10.271   8.128   2.334
  162    HB3  LYS  22           HB1      LYS  22 -10.288   9.897   2.362
  163    HG2  LYS  22           HG2      LYS  22  -7.816   9.850   2.041
  164    HG3  LYS  22           HG1      LYS  22  -7.926   8.106   1.829
  165    HD2  LYS  22           HD2      LYS  22  -7.868   9.018  -0.338
  166    HD3  LYS  22           HD1      LYS  22  -9.541   8.564  -0.058
  167    HE2  LYS  22           HE2      LYS  22  -8.372  11.343   0.124
  168    HE3  LYS  22           HE1      LYS  22  -9.411  10.732  -1.156
  169    HZ1  LYS  22           HZ1      LYS  22 -10.847  11.930   0.181
  170    HZ2  LYS  22           HZ2      LYS  22 -10.107  11.432   1.620
  171    HZ3  LYS  22           HZ3      LYS  22 -11.083  10.344   0.752
  172    H    GLY  23           HN       GLY  23 -11.168   7.323   4.836
  173    HA2  GLY  23           HA2      GLY  23 -12.391   8.700   6.889
  174    HA3  GLY  23           HA1      GLY  23 -13.212   9.151   5.384
  175    H    LYS  24           HN       LYS  24 -14.208   7.477   4.131
  176    HA   LYS  24           HA       LYS  24 -15.866   5.721   5.473
  177    HB2  LYS  24           HB2      LYS  24 -15.977   6.415   3.039
  178    HB3  LYS  24           HB1      LYS  24 -14.692   5.237   2.716
  179    HG2  LYS  24           HG2      LYS  24 -16.819   4.313   2.099
  180    HG3  LYS  24           HG1      LYS  24 -16.187   3.446   3.501
  181    HD2  LYS  24           HD2      LYS  24 -17.712   4.516   4.964
  182    HD3  LYS  24           HD1      LYS  24 -18.149   5.718   3.748
  183    HE2  LYS  24           HE2      LYS  24 -19.887   3.989   4.054
  184    HE3  LYS  24           HE1      LYS  24 -19.250   4.044   2.412
  185    HZ1  LYS  24           HZ1      LYS  24 -19.555   1.786   3.706
  186    HZ2  LYS  24           HZ2      LYS  24 -18.015   2.173   4.293
  187    HZ3  LYS  24           HZ3      LYS  24 -18.264   2.017   2.623
  188    H    GLY  25           HN       GLY  25 -12.964   4.848   3.644
  189    HA2  GLY  25           HA2      GLY  25 -12.325   2.890   5.703
  190    HA3  GLY  25           HA1      GLY  25 -12.308   2.390   4.026
  191    H    LYS  26           HN       LYS  26 -10.158   2.225   5.691
  192    HA   LYS  26           HA       LYS  26  -8.279   4.125   4.531
  193    HB2  LYS  26           HB2      LYS  26  -7.510   4.238   7.043
  194    HB3  LYS  26           HB1      LYS  26  -8.768   5.306   6.411
  195    HG2  LYS  26           HG2      LYS  26 -10.396   3.538   7.095
  196    HG3  LYS  26           HG1      LYS  26  -9.077   2.783   7.997
  197    HD2  LYS  26           HD2      LYS  26 -10.411   4.186   9.479
  198    HD3  LYS  26           HD1      LYS  26  -8.798   4.874   9.283
  199    HE2  LYS  26           HE2      LYS  26 -11.106   5.758   7.579
  200    HE3  LYS  26           HE1      LYS  26 -10.823   6.465   9.177
  201    HZ1  LYS  26           HZ1      LYS  26  -9.698   7.898   7.778
  202    HZ2  LYS  26           HZ2      LYS  26  -9.184   6.664   6.740
  203    HZ3  LYS  26           HZ3      LYS  26  -8.449   6.849   8.256
  204    H    LEU  27           HN       LEU  27  -6.019   3.524   4.939
  205    HA   LEU  27           HA       LEU  27  -5.628   0.747   5.737
  206    HB2  LEU  27           HB2      LEU  27  -6.007   0.514   3.465
  207    HB3  LEU  27           HB1      LEU  27  -4.951   1.884   3.053
  208    HG   LEU  27           HG       LEU  27  -2.996   0.594   3.790
  209   HD11  LEU  27          HD11      LEU  27  -3.862  -2.040   3.841
  210   HD12  LEU  27          HD12      LEU  27  -5.064  -1.190   4.812
  211   HD13  LEU  27          HD13      LEU  27  -3.353  -1.085   5.233
  212   HD21  LEU  27          HD21      LEU  27  -4.124  -1.387   1.978
  213   HD22  LEU  27          HD22      LEU  27  -2.785  -0.264   1.740
  214   HD23  LEU  27          HD23      LEU  27  -4.442   0.270   1.462
  215    H    SER  28           HN       SER  28  -3.666   0.340   6.664
  216    HA   SER  28           HA       SER  28  -1.558   2.394   6.518
  217    HB2  SER  28           HB2      SER  28  -2.806   2.330   8.792
  218    HB3  SER  28           HB1      SER  28  -2.085   0.728   8.983
  219    HG   SER  28           HG       SER  28  -0.462   2.960   8.388
  220    H    LEU  29           HN       LEU  29   0.622   1.450   6.687
  221    HA   LEU  29           HA       LEU  29   0.626  -1.473   6.449
  222    HB2  LEU  29           HB2      LEU  29   2.336   0.282   4.692
  223    HB3  LEU  29           HB1      LEU  29   2.123  -1.486   4.632
  224    HG   LEU  29           HG       LEU  29  -0.156   0.410   4.105
  225   HD11  LEU  29          HD11      LEU  29   0.277   0.044   1.710
  226   HD12  LEU  29          HD12      LEU  29   1.767  -0.806   2.115
  227   HD13  LEU  29          HD13      LEU  29   1.602   0.911   2.485
  228   HD21  LEU  29          HD21      LEU  29  -1.042  -1.680   4.464
  229   HD22  LEU  29          HD22      LEU  29   0.364  -2.510   3.796
  230   HD23  LEU  29          HD23      LEU  29  -0.777  -1.704   2.720
  231    H    SER  30           HN       SER  30   2.339  -2.490   7.370
  232    HA   SER  30           HA       SER  30   4.706  -1.040   8.175
  233    HB2  SER  30           HB2      SER  30   2.910  -2.343  10.247
  234    HB3  SER  30           HB1      SER  30   4.518  -1.687  10.557
  235    HG   SER  30           HG       SER  30   2.881   0.110   9.313
  236    H    MET  31           HN       MET  31   5.987  -2.796   9.689
  237    HA   MET  31           HA       MET  31   5.712  -5.450   8.436
  238    HB2  MET  31           HB2      MET  31   8.281  -3.841   8.638
  239    HB3  MET  31           HB1      MET  31   8.177  -5.549   8.150
  240    HG2  MET  31           HG2      MET  31   6.845  -4.919   6.212
  241    HG3  MET  31           HG1      MET  31   6.906  -3.226   6.701
  242    HE1  MET  31           HE1      MET  31  10.834  -2.782   6.716
  243    HE2  MET  31           HE2      MET  31   9.430  -2.730   7.784
  244    HE3  MET  31           HE3      MET  31   9.486  -1.704   6.351
  245    H    ASN  32           HN       ASN  32   7.087  -7.052   9.526
  246    HA   ASN  32           HA       ASN  32   7.723  -6.504  12.320
  247    HB2  ASN  32           HB2      ASN  32   5.314  -7.214  12.270
  248    HB3  ASN  32           HB1      ASN  32   5.816  -8.721  11.486
  249   HD21  ASN  32          HD21      ASN  32   4.973  -7.387  14.344
  250   HD22  ASN  32          HD22      ASN  32   5.757  -8.493  15.431
  251    H    GLY  33           HN       GLY  33   9.868  -6.866  11.649
  252    HA2  GLY  33           HA2      GLY  33  11.747  -8.235  11.330
  253    HA3  GLY  33           HA1      GLY  33  10.664  -9.649  11.330
  254    H    ASN  34           HN       ASN  34  10.114 -10.536   9.440
  255    HA   ASN  34           HA       ASN  34  10.594  -8.975   6.980
  256    HB2  ASN  34           HB2      ASN  34  10.831 -11.966   7.372
  257    HB3  ASN  34           HB1      ASN  34  10.782 -11.193   5.794
  258   HD21  ASN  34          HD21      ASN  34  12.337  -9.050   7.700
  259   HD22  ASN  34          HD22      ASN  34  13.981  -9.560   7.435
  260    H    GLN  35           HN       GLN  35   8.264  -9.057   8.718
  261    HA   GLN  35           HA       GLN  35   6.308 -10.498   7.077
  262    HB2  GLN  35           HB2      GLN  35   6.306 -10.843   9.556
  263    HB3  GLN  35           HB1      GLN  35   5.934  -9.131   9.747
  264    HG2  GLN  35           HG2      GLN  35   3.967 -10.573  10.001
  265    HG3  GLN  35           HG1      GLN  35   3.805  -9.415   8.681
  266   HE21  GLN  35          HE21      GLN  35   2.779 -10.252   7.039
  267   HE22  GLN  35          HE22      GLN  35   2.922 -11.887   6.457
  268    H    LEU  36           HN       LEU  36   4.370  -9.435   6.453
  269    HA   LEU  36           HA       LEU  36   4.641  -6.525   6.160
  270    HB2  LEU  36           HB2      LEU  36   4.856  -7.643   4.074
  271    HB3  LEU  36           HB1      LEU  36   3.395  -8.594   4.348
  272    HG   LEU  36           HG       LEU  36   3.154  -6.798   2.639
  273   HD11  LEU  36          HD11      LEU  36   1.454  -6.693   5.114
  274   HD12  LEU  36          HD12      LEU  36   1.143  -7.539   3.599
  275   HD13  LEU  36          HD13      LEU  36   1.073  -5.776   3.659
  276   HD21  LEU  36          HD21      LEU  36   4.562  -5.083   3.534
  277   HD22  LEU  36          HD22      LEU  36   3.584  -4.971   4.999
  278   HD23  LEU  36          HD23      LEU  36   2.912  -4.466   3.449
  279    H    LYS  37           HN       LYS  37   3.116  -5.331   7.071
  280    HA   LYS  37           HA       LYS  37   0.716  -6.699   8.080
  281    HB2  LYS  37           HB2      LYS  37   2.573  -4.825   9.574
  282    HB3  LYS  37           HB1      LYS  37   1.114  -5.579  10.244
  283    HG2  LYS  37           HG2      LYS  37   3.501  -7.112   9.195
  284    HG3  LYS  37           HG1      LYS  37   3.277  -6.671  10.901
  285    HD2  LYS  37           HD2      LYS  37   1.384  -8.375   9.272
  286    HD3  LYS  37           HD1      LYS  37   2.588  -8.998  10.391
  287    HE2  LYS  37           HE2      LYS  37   0.235  -7.239  11.108
  288    HE3  LYS  37           HE1      LYS  37   0.378  -8.965  11.412
  289    HZ1  LYS  37           HZ1      LYS  37   2.070  -8.625  12.974
  290    HZ2  LYS  37           HZ2      LYS  37   0.897  -7.449  13.336
  291    HZ3  LYS  37           HZ3      LYS  37   2.317  -7.007  12.512
  292    H    ALA  38           HN       ALA  38  -0.791  -5.708   6.866
  293    HA   ALA  38           HA       ALA  38  -0.918  -2.788   6.788
  294    HB1  ALA  38           HB1      ALA  38  -1.268  -4.475   4.769
  295    HB2  ALA  38           HB2      ALA  38  -2.180  -2.971   4.894
  296    HB3  ALA  38           HB3      ALA  38  -2.916  -4.493   5.397
  297    H    THR  39           HN       THR  39  -2.799  -1.690   7.465
  298    HA   THR  39           HA       THR  39  -4.794  -3.269   8.908
  299    HB   THR  39           HB       THR  39  -4.920  -1.528  10.659
  300    HG1  THR  39           HG1      THR  39  -3.803   0.018   9.242
  301   HG21  THR  39          HG21      THR  39  -2.139  -2.120  11.075
  302   HG22  THR  39          HG22      THR  39  -3.005  -3.547  10.507
  303   HG23  THR  39          HG23      THR  39  -3.553  -2.700  11.954
  304    H    SER  40           HN       SER  40  -6.723  -2.807   8.172
  305    HA   SER  40           HA       SER  40  -7.230  -0.156   6.935
  306    HB2  SER  40           HB2      SER  40  -8.599  -2.773   6.332
  307    HB3  SER  40           HB1      SER  40  -8.817  -1.231   5.496
  308    HG   SER  40           HG       SER  40  -7.360  -2.676   4.402
  309    H    SER  41           HN       SER  41  -8.723   1.007   7.923
  310    HA   SER  41           HA       SER  41 -10.117  -0.332  10.129
  311    HB2  SER  41           HB2      SER  41  -9.594   2.621   9.735
  312    HB3  SER  41           HB1      SER  41 -10.306   1.875  11.166
  313    HG   SER  41           HG       SER  41  -7.656   1.787  10.221
  314    H    ASN  42           HN       ASN  42 -12.200   0.451  10.778
  315    HA   ASN  42           HA       ASN  42 -14.411   0.812  10.458
  316    HB2  ASN  42           HB2      ASN  42 -13.609   1.783   7.707
  317    HB3  ASN  42           HB1      ASN  42 -15.312   1.688   8.285
  318   HD21  ASN  42          HD21      ASN  42 -12.766   3.707   7.899
  319   HD22  ASN  42          HD22      ASN  42 -13.147   4.893   9.122
  320    H    ALA  43           HN       ALA  43 -12.529  -1.417   9.482
  321    HA   ALA  43           HA       ALA  43 -12.713  -3.563   8.752
  322    HB1  ALA  43           HB1      ALA  43 -14.381  -4.726   9.891
  323    HB2  ALA  43           HB2      ALA  43 -15.500  -3.365   9.827
  324    HB3  ALA  43           HB3      ALA  43 -14.075  -3.286  10.863
  325    H    GLY  44           HN       GLY  44 -12.881  -2.463   6.396
  326    HA2  GLY  44           HA2      GLY  44 -13.489  -3.629   4.427
  327    HA3  GLY  44           HA1      GLY  44 -15.046  -4.040   5.208
  328    H    TYR  45           HN       TYR  45 -13.601  -0.805   4.955
  329    HA   TYR  45           HA       TYR  45 -15.831  -0.075   3.172
  330    HB2  TYR  45           HB2      TYR  45 -14.399   1.603   5.255
  331    HB3  TYR  45           HB1      TYR  45 -15.517   2.262   4.046
  332    HD1  TYR  45           HD1      TYR  45 -16.664   3.195   6.110
  333    HD2  TYR  45           HD2      TYR  45 -16.496  -0.980   5.297
  334    HE1  TYR  45           HE1      TYR  45 -18.567   2.831   7.611
  335    HE2  TYR  45           HE2      TYR  45 -18.395  -1.354   6.807
  336    HH   TYR  45           HH       TYR  45 -20.428   1.001   7.818
  337    H    GLY  46           HN       GLY  46 -15.361   1.476   1.506
  338    HA2  GLY  46           HA2      GLY  46 -12.550   1.381   0.599
  339    HA3  GLY  46           HA1      GLY  46 -13.951   1.722  -0.413
  340    H    ILE  47           HN       ILE  47 -12.823   3.642  -1.173
  341    HA   ILE  47           HA       ILE  47 -11.767   5.692   0.384
  342    HB   ILE  47           HB       ILE  47 -13.509   6.430  -1.868
  343   HG12  ILE  47          HG12      ILE  47 -11.524   5.989  -3.434
  344   HG13  ILE  47          HG11      ILE  47 -11.125   4.759  -2.228
  345   HG21  ILE  47          HG21      ILE  47 -10.701   7.313  -1.465
  346   HG22  ILE  47          HG22      ILE  47 -12.026   7.992  -0.515
  347   HG23  ILE  47          HG23      ILE  47 -12.023   8.161  -2.271
  348   HD11  ILE  47          HD11      ILE  47 -12.607   3.395  -3.120
  349   HD12  ILE  47          HD12      ILE  47 -13.011   4.619  -4.326
  350   HD13  ILE  47          HD13      ILE  47 -13.888   4.562  -2.795
  351    H    SER  48           HN       SER  48 -14.882   5.364  -1.072
  352    HA   SER  48           HA       SER  48 -16.719   5.974   0.831
  353    HB2  SER  48           HB2      SER  48 -15.464   8.140   1.135
  354    HB3  SER  48           HB1      SER  48 -15.838   8.535  -0.558
  355    HG   SER  48           HG       SER  48 -17.790   9.072   0.013
  356    H    TYR  49           HN       TYR  49 -15.790   7.402  -2.248
  357    HA   TYR  49           HA       TYR  49 -17.243   5.652  -3.843
  358    HB2  TYR  49           HB2      TYR  49 -18.766   7.559  -4.815
  359    HB3  TYR  49           HB1      TYR  49 -19.305   6.561  -3.463
  360    HD1  TYR  49           HD1      TYR  49 -17.088   9.603  -3.679
  361    HD2  TYR  49           HD2      TYR  49 -20.625   7.883  -2.008
  362    HE1  TYR  49           HE1      TYR  49 -17.451  11.624  -2.341
  363    HE2  TYR  49           HE2      TYR  49 -20.974   9.901  -0.680
  364    HH   TYR  49           HH       TYR  49 -19.807  12.713  -1.238
  365    H    GLU  50           HN       GLU  50 -15.027   5.750  -4.536
  366    HA   GLU  50           HA       GLU  50 -14.710   7.631  -6.726
  367    HB2  GLU  50           HB2      GLU  50 -12.680   7.324  -4.506
  368    HB3  GLU  50           HB1      GLU  50 -12.318   8.078  -6.043
  369    HG2  GLU  50           HG2      GLU  50 -14.054   9.776  -5.567
  370    HG3  GLU  50           HG1      GLU  50 -14.290   9.031  -3.979
  371    H    ASP  51           HN       ASP  51 -12.357   7.059  -7.735
  372    HA   ASP  51           HA       ASP  51 -11.924   4.181  -7.592
  373    HB2  ASP  51           HB2      ASP  51 -13.108   4.236  -9.584
  374    HB3  ASP  51           HB1      ASP  51 -12.342   5.741 -10.126
  375    H    LYS  52           HN       LYS  52  -9.955   3.577  -7.336
  376    HA   LYS  52           HA       LYS  52  -7.731   5.310  -8.033
  377    HB2  LYS  52           HB2      LYS  52  -8.217   4.196  -5.304
  378    HB3  LYS  52           HB1      LYS  52  -6.652   4.769  -5.843
  379    HG2  LYS  52           HG2      LYS  52  -7.502   6.530  -4.619
  380    HG3  LYS  52           HG1      LYS  52  -7.831   6.980  -6.287
  381    HD2  LYS  52           HD2      LYS  52 -10.156   6.180  -6.026
  382    HD3  LYS  52           HD1      LYS  52  -9.792   5.789  -4.337
  383    HE2  LYS  52           HE2      LYS  52  -9.639   8.525  -5.596
  384    HE3  LYS  52           HE1      LYS  52 -10.886   7.957  -4.486
  385    HZ1  LYS  52           HZ1      LYS  52  -8.121   8.744  -3.942
  386    HZ2  LYS  52           HZ2      LYS  52  -8.764   7.475  -3.001
  387    HZ3  LYS  52           HZ3      LYS  52  -9.523   8.993  -3.023
  388    H    ASN  53           HN       ASN  53  -6.873   3.947  -9.525
  389    HA   ASN  53           HA       ASN  53  -6.654   1.122  -8.963
  390    HB2  ASN  53           HB2      ASN  53  -5.582   2.809 -11.232
  391    HB3  ASN  53           HB1      ASN  53  -5.300   1.063 -11.085
  392   HD21  ASN  53          HD21      ASN  53  -8.293   1.794  -9.800
  393   HD22  ASN  53          HD22      ASN  53  -9.257   1.400 -11.193
  394    H    TRP  54           HN       TRP  54  -5.093   0.176  -7.923
  395    HA   TRP  54           HA       TRP  54  -2.757   1.815  -7.245
  396    HB2  TRP  54           HB2      TRP  54  -4.681   0.424  -5.636
  397    HB3  TRP  54           HB1      TRP  54  -3.067  -0.278  -5.372
  398    HD1  TRP  54           HD1      TRP  54  -4.876   3.140  -5.063
  399    HE1  TRP  54           HE1      TRP  54  -3.466   4.584  -3.449
  400    HE3  TRP  54           HE3      TRP  54  -1.001  -0.032  -4.449
  401    HZ2  TRP  54           HZ2      TRP  54  -0.935   4.345  -2.126
  402    HZ3  TRP  54           HZ3      TRP  54   0.858   0.622  -3.025
  403    HH2  TRP  54           HH2      TRP  54   0.881   2.753  -1.888
  404    H    GLY  55           HN       GLY  55  -0.739   0.754  -6.795
  405    HA2  GLY  55           HA2      GLY  55  -0.551  -2.017  -7.626
  406    HA3  GLY  55           HA1      GLY  55   0.370  -0.874  -8.603
  407    H    ILE  56           HN       ILE  56   1.453  -2.938  -7.353
  408    HA   ILE  56           HA       ILE  56   3.345  -1.786  -5.369
  409    HB   ILE  56           HB       ILE  56   2.128  -4.587  -5.356
  410   HG12  ILE  56          HG12      ILE  56   1.717  -2.330  -3.376
  411   HG13  ILE  56          HG11      ILE  56   0.531  -2.850  -4.600
  412   HG21  ILE  56          HG21      ILE  56   4.274  -4.835  -4.509
  413   HG22  ILE  56          HG22      ILE  56   3.276  -4.634  -3.069
  414   HG23  ILE  56          HG23      ILE  56   4.230  -3.281  -3.676
  415   HD11  ILE  56          HD11      ILE  56   1.525  -4.378  -2.209
  416   HD12  ILE  56          HD12      ILE  56   0.599  -5.117  -3.518
  417   HD13  ILE  56          HD13      ILE  56  -0.114  -3.822  -2.551
  418    H    PHE  57           HN       PHE  57   5.179  -1.738  -6.570
  419    HA   PHE  57           HA       PHE  57   5.452  -3.755  -8.672
  420    HB2  PHE  57           HB2      PHE  57   6.851  -1.075  -8.519
  421    HB3  PHE  57           HB1      PHE  57   6.751  -2.160  -9.918
  422    HD1  PHE  57           HD1      PHE  57   5.096  -1.840 -11.496
  423    HD2  PHE  57           HD2      PHE  57   4.596  -0.113  -7.636
  424    HE1  PHE  57           HE1      PHE  57   3.082  -0.655 -12.268
  425    HE2  PHE  57           HE2      PHE  57   2.594   1.027  -8.388
  426    HZ   PHE  57           HZ       PHE  57   1.841   0.782 -10.698
  427    H    VAL  58           HN       VAL  58   6.823  -5.323  -8.342
  428    HA   VAL  58           HA       VAL  58   9.223  -4.857  -6.714
  429    HB   VAL  58           HB       VAL  58   8.138  -7.465  -7.797
  430   HG11  VAL  58          HG11      VAL  58   9.774  -8.578  -6.557
  431   HG12  VAL  58          HG12      VAL  58  10.190  -7.127  -5.640
  432   HG13  VAL  58          HG13      VAL  58  10.630  -7.252  -7.345
  433   HG21  VAL  58          HG21      VAL  58   6.933  -6.064  -5.873
  434   HG22  VAL  58          HG22      VAL  58   8.156  -6.881  -4.895
  435   HG23  VAL  58          HG23      VAL  58   7.016  -7.827  -5.858
  436    H    ASN  59           HN       ASN  59  10.782  -3.993  -7.911
  437    HA   ASN  59           HA       ASN  59  12.265  -3.579  -9.574
  438    HB2  ASN  59           HB2      ASN  59  11.818  -6.508 -10.210
  439    HB3  ASN  59           HB1      ASN  59  13.098  -5.498 -10.924
  440   HD21  ASN  59          HD21      ASN  59  14.987  -5.652  -9.984
  441   HD22  ASN  59          HD22      ASN  59  15.285  -6.098  -8.342
  442    H    GLY  60           HN       GLY  60   9.905  -2.572 -10.178
  443    HA2  GLY  60           HA2      GLY  60   8.713  -1.707 -11.921
  444    HA3  GLY  60           HA1      GLY  60   9.958  -2.387 -12.987
  445    H    GLU  61           HN       GLU  61   7.612  -3.879 -10.803
  446    HA   GLU  61           HA       GLU  61   6.084  -4.920 -13.031
  447    HB2  GLU  61           HB2      GLU  61   7.844  -6.629 -12.748
  448    HB3  GLU  61           HB1      GLU  61   7.397  -6.800 -11.052
  449    HG2  GLU  61           HG2      GLU  61   5.160  -7.552 -11.736
  450    HG3  GLU  61           HG1      GLU  61   5.656  -7.431 -13.429
  451    H    LYS  62           HN       LYS  62   4.054  -4.508 -12.486
  452    HA   LYS  62           HA       LYS  62   3.277  -4.091  -9.756
  453    HB2  LYS  62           HB2      LYS  62   2.323  -2.727 -11.534
  454    HB3  LYS  62           HB1      LYS  62   1.665  -4.178 -12.323
  455    HG2  LYS  62           HG2      LYS  62   0.098  -4.513 -10.546
  456    HG3  LYS  62           HG1      LYS  62   0.855  -3.226  -9.569
  457    HD2  LYS  62           HD2      LYS  62  -1.222  -2.469 -10.660
  458    HD3  LYS  62           HD1      LYS  62   0.188  -1.562 -11.210
  459    HE2  LYS  62           HE2      LYS  62  -1.259  -2.096 -13.085
  460    HE3  LYS  62           HE1      LYS  62   0.279  -2.946 -13.236
  461    HZ1  LYS  62           HZ1      LYS  62  -0.689  -4.964 -12.869
  462    HZ2  LYS  62           HZ2      LYS  62  -1.981  -4.169 -13.627
  463    HZ3  LYS  62           HZ3      LYS  62  -1.961  -4.328 -11.935
  464    H    VAL  63           HN       VAL  63   3.334  -5.892  -8.545
  465    HA   VAL  63           HA       VAL  63   2.449  -8.426  -9.580
  466    HB   VAL  63           HB       VAL  63   3.142  -9.357  -7.484
  467   HG11  VAL  63          HG11      VAL  63   4.991  -7.465  -8.871
  468   HG12  VAL  63          HG12      VAL  63   4.915  -9.224  -8.964
  469   HG13  VAL  63          HG13      VAL  63   5.559  -8.444  -7.519
  470   HG21  VAL  63          HG21      VAL  63   2.422  -7.476  -6.025
  471   HG22  VAL  63          HG22      VAL  63   3.815  -6.555  -6.591
  472   HG23  VAL  63          HG23      VAL  63   4.055  -8.044  -5.676
  473    H    TYR  64           HN       TYR  64   1.100  -5.940  -7.545
  474    HA   TYR  64           HA       TYR  64  -1.357  -7.517  -7.414
  475    HB2  TYR  64           HB2      TYR  64  -0.253  -7.763  -5.217
  476    HB3  TYR  64           HB1      TYR  64  -0.244  -5.991  -5.052
  477    HD1  TYR  64           HD1      TYR  64  -1.673  -5.610  -3.210
  478    HD2  TYR  64           HD2      TYR  64  -2.968  -8.201  -6.328
  479    HE1  TYR  64           HE1      TYR  64  -3.906  -5.688  -2.210
  480    HE2  TYR  64           HE2      TYR  64  -5.211  -8.283  -5.329
  481    HH   TYR  64           HH       TYR  64  -5.914  -7.513  -2.310
  482    H    THR  65           HN       THR  65  -3.113  -6.411  -7.958
  483    HA   THR  65           HA       THR  65  -2.937  -3.490  -8.085
  484    HB   THR  65           HB       THR  65  -4.591  -5.205  -9.809
  485    HG1  THR  65           HG1      THR  65  -2.716  -5.642 -10.679
  486   HG21  THR  65          HG21      THR  65  -5.536  -3.045  -9.793
  487   HG22  THR  65          HG22      THR  65  -4.617  -3.185 -11.292
  488   HG23  THR  65          HG23      THR  65  -3.945  -2.292  -9.926
  489    H    PHE  66           HN       PHE  66  -4.007  -2.807  -6.296
  490    HA   PHE  66           HA       PHE  66  -6.723  -3.906  -5.925
  491    HB2  PHE  66           HB2      PHE  66  -6.629  -3.357  -3.573
  492    HB3  PHE  66           HB1      PHE  66  -5.293  -4.453  -4.019
  493    HD1  PHE  66           HD1      PHE  66  -3.122  -3.928  -3.390
  494    HD2  PHE  66           HD2      PHE  66  -6.080  -0.865  -3.318
  495    HE1  PHE  66           HE1      PHE  66  -1.570  -2.461  -2.174
  496    HE2  PHE  66           HE2      PHE  66  -4.521   0.612  -2.116
  497    HZ   PHE  66           HZ       PHE  66  -2.258  -0.184  -1.538
  498    H    ASN  67           HN       ASN  67  -8.252  -2.242  -5.025
  499    HA   ASN  67           HA       ASN  67  -7.554   0.432  -6.046
  500    HB2  ASN  67           HB2      ASN  67 -10.194  -1.012  -6.454
  501    HB3  ASN  67           HB1      ASN  67  -9.835   0.644  -6.961
  502   HD21  ASN  67          HD21      ASN  67 -10.176  -2.372  -8.053
  503   HD22  ASN  67          HD22      ASN  67  -9.126  -2.328  -9.430
  504    H    GLU  68           HN       GLU  68  -8.689   2.181  -4.960
  505    HA   GLU  68           HA       GLU  68  -9.331   1.571  -2.241
  506    HB2  GLU  68           HB2      GLU  68  -9.766   4.109  -3.790
  507    HB3  GLU  68           HB1      GLU  68 -10.032   3.980  -2.063
  508    HG2  GLU  68           HG2      GLU  68  -7.565   3.304  -1.910
  509    HG3  GLU  68           HG1      GLU  68  -7.435   3.804  -3.619
  510    H    LYS  69           HN       LYS  69 -11.006   1.535  -5.174
  511    HA   LYS  69           HA       LYS  69 -13.700   1.855  -4.312
  512    HB2  LYS  69           HB2      LYS  69 -12.644  -0.029  -6.423
  513    HB3  LYS  69           HB1      LYS  69 -14.291   0.621  -6.303
  514    HG2  LYS  69           HG2      LYS  69 -13.399   2.871  -6.718
  515    HG3  LYS  69           HG1      LYS  69 -11.779   2.154  -6.937
  516    HD2  LYS  69           HD2      LYS  69 -14.249   1.551  -8.584
  517    HD3  LYS  69           HD1      LYS  69 -12.862   2.514  -9.095
  518    HE2  LYS  69           HE2      LYS  69 -11.419   0.536  -8.860
  519    HE3  LYS  69           HE1      LYS  69 -12.823  -0.422  -8.389
  520    HZ1  LYS  69           HZ1      LYS  69 -11.894  -0.098 -10.923
  521    HZ2  LYS  69           HZ2      LYS  69 -13.198   0.989 -10.864
  522    HZ3  LYS  69           HZ3      LYS  69 -13.448  -0.653 -10.507
  523    H    SER  70           HN       SER  70 -11.414  -0.764  -4.554
  524    HA   SER  70           HA       SER  70 -13.044  -2.749  -3.339
  525    HB2  SER  70           HB2      SER  70 -11.096  -3.325  -4.779
  526    HB3  SER  70           HB1      SER  70 -10.024  -2.611  -3.530
  527    HG   SER  70           HG       SER  70 -10.073  -4.726  -3.027
  528    H    THR  71           HN       THR  71 -13.495  -2.853  -1.226
  529    HA   THR  71           HA       THR  71 -12.897  -0.803   0.526
  530    HB   THR  71           HB       THR  71 -13.759  -2.322   2.228
  531    HG1  THR  71           HG1      THR  71 -12.777  -4.189   0.790
  532   HG21  THR  71          HG21      THR  71 -15.172  -1.285   0.163
  533   HG22  THR  71          HG22      THR  71 -15.884  -2.129   1.539
  534   HG23  THR  71          HG23      THR  71 -15.575  -2.997   0.034
  535    H    VAL  72           HN       VAL  72 -10.908  -0.299   1.361
  536    HA   VAL  72           HA       VAL  72  -8.702  -1.747   1.048
  537    HB   VAL  72           HB       VAL  72  -8.244  -0.246   3.453
  538   HG11  VAL  72          HG11      VAL  72  -6.434  -0.434   2.097
  539   HG12  VAL  72          HG12      VAL  72  -7.035   1.115   1.505
  540   HG13  VAL  72          HG13      VAL  72  -7.377  -0.366   0.610
  541   HG21  VAL  72          HG21      VAL  72  -9.529   1.342   1.178
  542   HG22  VAL  72          HG22      VAL  72  -8.956   1.946   2.737
  543   HG23  VAL  72          HG23      VAL  72 -10.387   0.918   2.671
  544    H    GLY  73           HN       GLY  73 -11.100  -2.285   3.350
  545    HA2  GLY  73           HA2      GLY  73  -9.677  -3.803   5.284
  546    HA3  GLY  73           HA1      GLY  73 -11.386  -3.879   4.914
  547    H    ASN  74           HN       ASN  74 -11.775  -4.863   2.612
  548    HA   ASN  74           HA       ASN  74 -10.929  -7.572   2.793
  549    HB2  ASN  74           HB2      ASN  74 -12.332  -6.088   0.554
  550    HB3  ASN  74           HB1      ASN  74 -12.045  -7.835   0.557
  551   HD21  ASN  74          HD21      ASN  74 -13.868  -8.851   0.968
  552   HD22  ASN  74          HD22      ASN  74 -15.039  -8.403   2.175
  553    H    ILE  75           HN       ILE  75  -9.540  -4.805   1.409
  554    HA   ILE  75           HA       ILE  75  -7.875  -6.165  -0.534
  555    HB   ILE  75           HB       ILE  75  -7.455  -3.525   0.817
  556   HG12  ILE  75          HG12      ILE  75  -8.526  -4.058  -1.990
  557   HG13  ILE  75          HG11      ILE  75  -9.502  -3.548  -0.579
  558   HG21  ILE  75          HG21      ILE  75  -5.842  -3.048  -0.942
  559   HG22  ILE  75          HG22      ILE  75  -6.097  -4.660  -1.606
  560   HG23  ILE  75          HG23      ILE  75  -5.380  -4.469  -0.007
  561   HD11  ILE  75          HD11      ILE  75  -8.168  -1.935  -2.437
  562   HD12  ILE  75          HD12      ILE  75  -7.278  -1.777  -0.923
  563   HD13  ILE  75          HD13      ILE  75  -9.006  -1.435  -0.971
  564    H    SER  76           HN       SER  76  -7.533  -5.084   2.834
  565    HA   SER  76           HA       SER  76  -4.811  -5.933   2.978
  566    HB2  SER  76           HB2      SER  76  -5.596  -4.142   4.428
  567    HB3  SER  76           HB1      SER  76  -6.753  -5.238   5.199
  568    HG   SER  76           HG       SER  76  -5.204  -5.794   6.494
  569    H    ASN  77           HN       ASN  77  -7.821  -7.516   3.352
  570    HA   ASN  77           HA       ASN  77  -6.833  -9.829   4.731
  571    HB2  ASN  77           HB2      ASN  77  -9.169  -9.494   2.831
  572    HB3  ASN  77           HB1      ASN  77  -8.784 -10.999   3.672
  573   HD21  ASN  77          HD21      ASN  77 -10.833  -8.546   3.751
  574   HD22  ASN  77          HD22      ASN  77 -11.124  -8.409   5.455
  575    H    ASP  78           HN       ASP  78  -6.684  -8.504   1.549
  576    HA   ASP  78           HA       ASP  78  -5.542 -10.903   0.373
  577    HB2  ASP  78           HB2      ASP  78  -6.005  -8.123  -0.706
  578    HB3  ASP  78           HB1      ASP  78  -5.142  -9.376  -1.624
  579    H    ILE  79           HN       ILE  79  -4.452  -7.789   1.615
  580    HA   ILE  79           HA       ILE  79  -1.869  -8.010   0.539
  581    HB   ILE  79           HB       ILE  79  -2.522  -6.439   3.058
  582   HG12  ILE  79          HG12      ILE  79  -2.808  -5.613   0.154
  583   HG13  ILE  79          HG11      ILE  79  -4.165  -5.968   1.250
  584   HG21  ILE  79          HG21      ILE  79  -0.699  -5.051   2.397
  585   HG22  ILE  79          HG22      ILE  79  -0.581  -5.840   0.826
  586   HG23  ILE  79          HG23      ILE  79  -0.131  -6.718   2.286
  587   HD11  ILE  79          HD11      ILE  79  -3.927  -3.611   1.097
  588   HD12  ILE  79          HD12      ILE  79  -2.192  -3.699   1.414
  589   HD13  ILE  79          HD13      ILE  79  -3.344  -4.096   2.690
  590    H    ASN  80           HN       ASN  80  -3.354  -9.649   3.075
  591    HA   ASN  80           HA       ASN  80  -1.053 -10.316   4.620
  592    HB2  ASN  80           HB2      ASN  80  -3.785 -11.572   4.361
  593    HB3  ASN  80           HB1      ASN  80  -2.543 -12.178   5.437
  594   HD21  ASN  80          HD21      ASN  80  -2.081  -8.953   5.326
  595   HD22  ASN  80          HD22      ASN  80  -3.046  -8.464   6.689
  596    H    LYS  81           HN       LYS  81  -2.891 -11.990   2.037
  597    HA   LYS  81           HA       LYS  81  -1.083 -14.168   1.975
  598    HB2  LYS  81           HB2      LYS  81  -2.145 -14.678  -0.279
  599    HB3  LYS  81           HB1      LYS  81  -3.176 -14.731   1.139
  600    HG2  LYS  81           HG2      LYS  81  -3.069 -12.171  -0.323
  601    HG3  LYS  81           HG1      LYS  81  -3.890 -13.536  -1.117
  602    HD2  LYS  81           HD2      LYS  81  -4.450 -12.493   1.657
  603    HD3  LYS  81           HD1      LYS  81  -5.432 -12.182   0.223
  604    HE2  LYS  81           HE2      LYS  81  -5.908 -14.567   0.018
  605    HE3  LYS  81           HE1      LYS  81  -4.892 -14.901   1.421
  606    HZ1  LYS  81           HZ1      LYS  81  -7.344 -13.215   1.462
  607    HZ2  LYS  81           HZ2      LYS  81  -6.393 -13.649   2.802
  608    HZ3  LYS  81           HZ3      LYS  81  -7.271 -14.837   1.965
  609    H    LEU  82           HN       LEU  82  -1.456 -11.298  -0.104
  610    HA   LEU  82           HA       LEU  82   0.541 -11.824  -1.935
  611    HB2  LEU  82           HB2      LEU  82  -0.616  -9.333  -0.818
  612    HB3  LEU  82           HB1      LEU  82   0.732  -9.262  -1.963
  613    HG   LEU  82           HG       LEU  82  -1.523  -9.020  -2.964
  614   HD11  LEU  82          HD11      LEU  82  -0.720  -9.820  -4.892
  615   HD12  LEU  82          HD12      LEU  82  -0.605 -11.458  -4.248
  616   HD13  LEU  82          HD13      LEU  82   0.682 -10.293  -3.931
  617   HD21  LEU  82          HD21      LEU  82  -1.848 -11.907  -2.276
  618   HD22  LEU  82          HD22      LEU  82  -2.882 -10.997  -3.377
  619   HD23  LEU  82          HD23      LEU  82  -2.819 -10.562  -1.669
  620    H    ASN  83           HN       ASN  83   0.800 -10.954   1.387
  621    HA   ASN  83           HA       ASN  83   2.552 -10.342   2.767
  622    HB2  ASN  83           HB2      ASN  83   2.664 -12.826   2.414
  623    HB3  ASN  83           HB1      ASN  83   3.882 -12.541   1.171
  624   HD21  ASN  83          HD21      ASN  83   4.203 -10.266   3.601
  625   HD22  ASN  83          HD22      ASN  83   5.460 -11.045   4.513
  626    H    ILE  84           HN       ILE  84   2.765  -8.276   1.495
  627    HA   ILE  84           HA       ILE  84   4.752  -8.076  -0.488
  628    HB   ILE  84           HB       ILE  84   3.423  -5.877   1.071
  629   HG12  ILE  84          HG12      ILE  84   1.801  -7.328  -0.068
  630   HG13  ILE  84          HG11      ILE  84   1.886  -5.732  -0.851
  631   HG21  ILE  84          HG21      ILE  84   4.012  -4.419  -0.754
  632   HG22  ILE  84          HG22      ILE  84   4.772  -5.758  -1.615
  633   HG23  ILE  84          HG23      ILE  84   5.470  -5.169  -0.104
  634   HD11  ILE  84          HD11      ILE  84   3.531  -6.839  -2.468
  635   HD12  ILE  84          HD12      ILE  84   1.823  -7.254  -2.611
  636   HD13  ILE  84          HD13      ILE  84   2.938  -8.368  -1.820
  637    H    LYS  85           HN       LYS  85   6.827  -8.593   0.126
  638    HA   LYS  85           HA       LYS  85   8.186  -6.537   1.520
  639    HB2  LYS  85           HB2      LYS  85   9.310  -8.246   3.155
  640    HB3  LYS  85           HB1      LYS  85   7.831  -7.410   3.567
  641    HG2  LYS  85           HG2      LYS  85   7.576  -9.624   4.304
  642    HG3  LYS  85           HG1      LYS  85   6.578  -9.474   2.868
  643    HD2  LYS  85           HD2      LYS  85   9.350 -10.611   2.713
  644    HD3  LYS  85           HD1      LYS  85   7.992 -11.609   3.226
  645    HE2  LYS  85           HE2      LYS  85   6.852 -11.099   1.096
  646    HE3  LYS  85           HE1      LYS  85   8.255 -10.155   0.593
  647    HZ1  LYS  85           HZ1      LYS  85   9.244 -12.619   1.366
  648    HZ2  LYS  85           HZ2      LYS  85   9.098 -12.028  -0.218
  649    HZ3  LYS  85           HZ3      LYS  85   7.850 -12.963   0.459
  650    H    GLY  86           HN       GLY  86   9.346  -6.245  -0.269
  651    HA2  GLY  86           HA2      GLY  86  11.269  -6.368  -1.505
  652    HA3  GLY  86           HA1      GLY  86  11.819  -7.591  -0.342
  653    HA   PRO  87           HA       PRO  87  13.108  -6.882  -2.318
  654    HB2  PRO  87           HB2      PRO  87  14.286  -7.026  -4.696
  655    HB3  PRO  87           HB1      PRO  87  14.444  -8.329  -3.509
  656    HG2  PRO  87           HG2      PRO  87  12.731  -8.177  -5.946
  657    HG3  PRO  87           HG1      PRO  87  13.631  -9.560  -5.299
  658    HD2  PRO  87           HD2      PRO  87  10.896  -9.047  -4.924
  659    HD3  PRO  87           HD1      PRO  87  11.892 -10.190  -3.969
  660    H    TYR  88           HN       TYR  88  13.812  -4.959  -3.743
  661    HA   TYR  88           HA       TYR  88  12.762  -2.799  -3.848
  662    HB2  TYR  88           HB2      TYR  88  13.058  -3.954  -6.635
  663    HB3  TYR  88           HB1      TYR  88  12.964  -2.207  -6.235
  664    HD1  TYR  88           HD1      TYR  88  14.940  -5.215  -5.148
  665    HD2  TYR  88           HD2      TYR  88  14.965  -1.094  -6.195
  666    HE1  TYR  88           HE1      TYR  88  17.375  -5.150  -4.805
  667    HE2  TYR  88           HE2      TYR  88  17.398  -1.016  -5.863
  668    HH   TYR  88           HH       TYR  88  19.080  -2.944  -4.169
  669    H    ILE  89           HN       ILE  89  10.692  -2.700  -3.045
  670    HA   ILE  89           HA       ILE  89   8.512  -3.186  -4.973
  671    HB   ILE  89           HB       ILE  89   8.460  -3.171  -1.947
  672   HG12  ILE  89          HG12      ILE  89   7.857  -5.317  -4.022
  673   HG13  ILE  89          HG11      ILE  89   9.351  -5.261  -3.054
  674   HG21  ILE  89          HG21      ILE  89   6.455  -2.120  -2.800
  675   HG22  ILE  89          HG22      ILE  89   6.089  -3.723  -2.161
  676   HG23  ILE  89          HG23      ILE  89   6.190  -3.471  -3.903
  677   HD11  ILE  89          HD11      ILE  89   8.309  -6.529  -1.568
  678   HD12  ILE  89          HD12      ILE  89   6.782  -6.390  -2.439
  679   HD13  ILE  89          HD13      ILE  89   7.219  -5.184  -1.228
  680    H    GLU  90           HN       GLU  90   7.362  -1.591  -5.688
  681    HA   GLU  90           HA       GLU  90   7.534   1.001  -4.301
  682    HB2  GLU  90           HB2      GLU  90   6.876   0.574  -7.223
  683    HB3  GLU  90           HB1      GLU  90   7.129   2.120  -6.394
  684    HG2  GLU  90           HG2      GLU  90   9.228  -0.007  -6.790
  685    HG3  GLU  90           HG1      GLU  90   9.054   1.451  -7.763
  686    H    ILE  91           HN       ILE  91   5.837   0.931  -3.031
  687    HA   ILE  91           HA       ILE  91   3.243   0.007  -3.913
  688    HB   ILE  91           HB       ILE  91   4.281   0.907  -1.222
  689   HG12  ILE  91          HG12      ILE  91   3.748  -1.835  -2.344
  690   HG13  ILE  91          HG11      ILE  91   5.304  -1.162  -1.863
  691   HG21  ILE  91          HG21      ILE  91   1.834   1.231  -1.470
  692   HG22  ILE  91          HG22      ILE  91   2.303   0.122  -0.189
  693   HG23  ILE  91          HG23      ILE  91   1.685  -0.508  -1.714
  694   HD11  ILE  91          HD11      ILE  91   4.447  -2.745  -0.219
  695   HD12  ILE  91          HD12      ILE  91   3.001  -1.752  -0.017
  696   HD13  ILE  91          HD13      ILE  91   4.581  -1.121   0.458
  697    H    LYS  92           HN       LYS  92   2.293   1.596  -5.183
  698    HA   LYS  92           HA       LYS  92   1.415   3.975  -3.868
  699    HB2  LYS  92           HB2      LYS  92   2.578   5.640  -4.912
  700    HB3  LYS  92           HB1      LYS  92   3.831   4.396  -4.954
  701    HG2  LYS  92           HG2      LYS  92   1.948   5.075  -7.213
  702    HG3  LYS  92           HG1      LYS  92   3.615   5.618  -7.069
  703    HD2  LYS  92           HD2      LYS  92   4.401   3.320  -7.287
  704    HD3  LYS  92           HD1      LYS  92   2.732   2.743  -7.298
  705    HE2  LYS  92           HE2      LYS  92   2.301   3.606  -9.421
  706    HE3  LYS  92           HE1      LYS  92   3.601   4.789  -9.282
  707    HZ1  LYS  92           HZ1      LYS  92   3.957   1.890  -9.716
  708    HZ2  LYS  92           HZ2      LYS  92   5.225   2.987  -9.494
  709    HZ3  LYS  92           HZ3      LYS  92   4.218   3.113 -10.853
  710    H    GLN  93           HN       GLN  93  -0.104   5.251  -5.324
  711    HA   GLN  93           HA       GLN  93  -1.581   3.363  -6.918
  712    HB2  GLN  93           HB2      GLN  93  -3.211   5.114  -7.302
  713    HB3  GLN  93           HB1      GLN  93  -2.879   4.891  -5.579
  714    HG2  GLN  93           HG2      GLN  93  -1.367   6.798  -5.651
  715    HG3  GLN  93           HG1      GLN  93  -1.779   7.063  -7.342
  716   HE21  GLN  93          HE21      GLN  93  -3.256   8.547  -7.676
  717   HE22  GLN  93          HE22      GLN  93  -4.517   9.006  -6.586
  718    H    ILE  94           HN       ILE  94  -2.429   4.067  -9.046
  719    HA   ILE  94           HA       ILE  94  -0.276   5.235 -10.674
  720    HB   ILE  94           HB       ILE  94  -0.674   3.329 -12.222
  721   HG12  ILE  94          HG12      ILE  94  -2.181   2.320  -9.803
  722   HG13  ILE  94          HG11      ILE  94  -2.832   2.656 -11.402
  723   HG21  ILE  94          HG21      ILE  94   0.263   1.778 -10.054
  724   HG22  ILE  94          HG22      ILE  94   0.821   3.437  -9.810
  725   HG23  ILE  94          HG23      ILE  94   1.205   2.588 -11.309
  726   HD11  ILE  94          HD11      ILE  94  -1.890   0.246 -10.398
  727   HD12  ILE  94          HD12      ILE  94  -0.711   0.768 -11.603
  728   HD13  ILE  94          HD13      ILE  94  -2.410   0.596 -12.046
  Start of MODEL   22
    1    H    ASP   1           HT1      ASP   1  19.701   5.812  -9.166
    2    HA   ASP   1           HA       ASP   1  20.351   4.445  -6.612
    3    HB2  ASP   1           HB2      ASP   1  21.533   6.614  -7.093
    4    HB3  ASP   1           HB1      ASP   1  19.959   7.388  -7.226
    5    H    ASN   2           HN       ASN   2  18.640   4.041  -5.311
    6    HA   ASN   2           HA       ASN   2  15.973   4.360  -6.336
    7    HB2  ASN   2           HB2      ASN   2  16.731   2.397  -4.958
    8    HB3  ASN   2           HB1      ASN   2  16.856   3.474  -3.574
    9   HD21  ASN   2          HD21      ASN   2  14.291   4.399  -5.524
   10   HD22  ASN   2          HD22      ASN   2  13.017   3.608  -4.660
   11    H    GLN   3           HN       GLN   3  14.785   6.147  -6.130
   12    HA   GLN   3           HA       GLN   3  15.697   8.427  -4.792
   13    HB2  GLN   3           HB2      GLN   3  12.917   7.813  -5.801
   14    HB3  GLN   3           HB1      GLN   3  13.498   9.408  -5.343
   15    HG2  GLN   3           HG2      GLN   3  15.157   9.325  -7.128
   16    HG3  GLN   3           HG1      GLN   3  14.586   7.719  -7.584
   17   HE21  GLN   3          HE21      GLN   3  13.297   7.727  -9.273
   18   HE22  GLN   3          HE22      GLN   3  12.201   8.986  -9.718
   19    H    LYS   4           HN       LYS   4  13.681   5.831  -3.616
   20    HA   LYS   4           HA       LYS   4  13.160   7.422  -1.197
   21    HB2  LYS   4           HB2      LYS   4  11.651   5.026  -2.244
   22    HB3  LYS   4           HB1      LYS   4  11.368   5.768  -0.677
   23    HG2  LYS   4           HG2      LYS   4  10.849   7.903  -1.882
   24    HG3  LYS   4           HG1      LYS   4  10.920   6.985  -3.390
   25    HD2  LYS   4           HD2      LYS   4   9.137   5.528  -2.617
   26    HD3  LYS   4           HD1      LYS   4   9.095   6.370  -1.065
   27    HE2  LYS   4           HE2      LYS   4   8.521   8.462  -2.300
   28    HE3  LYS   4           HE1      LYS   4   8.400   7.502  -3.774
   29    HZ1  LYS   4           HZ1      LYS   4   6.727   6.111  -2.444
   30    HZ2  LYS   4           HZ2      LYS   4   6.229   7.637  -3.005
   31    HZ3  LYS   4           HZ3      LYS   4   6.673   7.436  -1.378
   32    H    ALA   5           HN       ALA   5  15.580   5.812  -1.972
   33    HA   ALA   5           HA       ALA   5  15.671   3.415  -0.571
   34    HB1  ALA   5           HB1      ALA   5  18.237   4.632  -0.407
   35    HB2  ALA   5           HB2      ALA   5  17.519   5.041  -1.965
   36    HB3  ALA   5           HB3      ALA   5  17.688   3.352  -1.488
   37    H    LEU   6           HN       LEU   6  16.120   6.705   0.567
   38    HA   LEU   6           HA       LEU   6  16.735   5.690   3.252
   39    HB2  LEU   6           HB2      LEU   6  17.008   8.472   2.121
   40    HB3  LEU   6           HB1      LEU   6  17.442   7.995   3.752
   41    HG   LEU   6           HG       LEU   6  18.739   6.985   1.218
   42   HD11  LEU   6          HD11      LEU   6  19.450   9.204   1.565
   43   HD12  LEU   6          HD12      LEU   6  20.727   8.178   2.219
   44   HD13  LEU   6          HD13      LEU   6  19.586   8.969   3.307
   45   HD21  LEU   6          HD21      LEU   6  20.389   6.317   3.271
   46   HD22  LEU   6          HD22      LEU   6  19.236   5.221   2.510
   47   HD23  LEU   6          HD23      LEU   6  18.803   6.060   4.000
   48    H    GLU   7           HN       GLU   7  14.290   7.283   1.420
   49    HA   GLU   7           HA       GLU   7  12.951   8.314   3.775
   50    HB2  GLU   7           HB2      GLU   7  12.231   8.435   0.845
   51    HB3  GLU   7           HB1      GLU   7  11.223   9.100   2.119
   52    HG2  GLU   7           HG2      GLU   7  12.509  10.850   1.092
   53    HG3  GLU   7           HG1      GLU   7  13.043  10.617   2.753
   54    H    GLU   8           HN       GLU   8  13.105   5.323   2.437
   55    HA   GLU   8           HA       GLU   8  10.479   4.542   2.046
   56    HB2  GLU   8           HB2      GLU   8  11.277   2.217   2.477
   57    HB3  GLU   8           HB1      GLU   8  12.228   3.115   1.306
   58    HG2  GLU   8           HG2      GLU   8  13.929   3.534   3.013
   59    HG3  GLU   8           HG1      GLU   8  12.970   2.628   4.184
   60    H    GLN   9           HN       GLN   9  12.357   4.255   5.041
   61    HA   GLN   9           HA       GLN   9   9.898   3.611   6.463
   62    HB2  GLN   9           HB2      GLN   9  11.511   3.339   8.440
   63    HB3  GLN   9           HB1      GLN   9  11.566   2.144   7.155
   64    HG2  GLN   9           HG2      GLN   9  13.793   2.701   7.876
   65    HG3  GLN   9           HG1      GLN   9  13.544   3.252   6.223
   66   HE21  GLN   9          HE21      GLN   9  14.382   5.148   5.820
   67   HE22  GLN   9          HE22      GLN   9  14.576   6.440   6.955
   68    H    MET  10           HN       MET  10  10.825   6.328   5.344
   69    HA   MET  10           HA       MET  10  10.661   7.853   7.861
   70    HB2  MET  10           HB2      MET  10  11.437   8.761   5.083
   71    HB3  MET  10           HB1      MET  10  11.349   9.805   6.493
   72    HG2  MET  10           HG2      MET  10  13.201   7.457   6.150
   73    HG3  MET  10           HG1      MET  10  13.636   9.158   5.991
   74    HE1  MET  10           HE1      MET  10  13.278  10.866   7.772
   75    HE2  MET  10           HE2      MET  10  13.472  10.568   9.500
   76    HE3  MET  10           HE3      MET  10  11.889  10.379   8.745
   77    H    ASN  11           HN       ASN  11   9.591   8.661   4.573
   78    HA   ASN  11           HA       ASN  11   6.936   9.242   5.700
   79    HB2  ASN  11           HB2      ASN  11   6.549  10.419   3.476
   80    HB3  ASN  11           HB1      ASN  11   7.578  11.242   4.663
   81   HD21  ASN  11          HD21      ASN  11   9.379  12.057   3.876
   82   HD22  ASN  11          HD22      ASN  11  10.192  11.553   2.436
   83    H    SER  12           HN       SER  12   8.685   7.698   3.180
   84    HA   SER  12           HA       SER  12   7.007   7.175   1.301
   85    HB2  SER  12           HB2      SER  12   9.269   6.294   1.333
   86    HB3  SER  12           HB1      SER  12   8.821   5.119   2.586
   87    HG   SER  12           HG       SER  12   8.079   3.853   1.060
   88    H    ILE  13           HN       ILE  13   7.327   4.674   3.767
   89    HA   ILE  13           HA       ILE  13   4.748   3.578   3.048
   90    HB   ILE  13           HB       ILE  13   6.828   2.649   5.000
   91   HG12  ILE  13          HG12      ILE  13   6.373   1.920   2.116
   92   HG13  ILE  13          HG11      ILE  13   7.696   2.916   2.773
   93   HG21  ILE  13          HG21      ILE  13   5.096   0.679   3.686
   94   HG22  ILE  13          HG22      ILE  13   4.271   1.737   4.834
   95   HG23  ILE  13          HG23      ILE  13   5.642   0.759   5.360
   96   HD11  ILE  13          HD11      ILE  13   8.852   1.112   3.475
   97   HD12  ILE  13          HD12      ILE  13   7.902   0.284   2.241
   98   HD13  ILE  13          HD13      ILE  13   7.401   0.218   3.932
   99    H    ASN  14           HN       ASN  14   5.907   5.812   5.217
  100    HA   ASN  14           HA       ASN  14   3.964   5.223   7.315
  101    HB2  ASN  14           HB2      ASN  14   5.929   7.500   7.037
  102    HB3  ASN  14           HB1      ASN  14   4.786   7.346   8.365
  103   HD21  ASN  14          HD21      ASN  14   5.596   4.285   7.534
  104   HD22  ASN  14          HD22      ASN  14   6.916   4.024   8.621
  105    H    SER  15           HN       SER  15   4.578   8.044   5.191
  106    HA   SER  15           HA       SER  15   1.979   9.114   5.618
  107    HB2  SER  15           HB2      SER  15   2.440  10.685   3.840
  108    HB3  SER  15           HB1      SER  15   3.841  10.568   4.909
  109    HG   SER  15           HG       SER  15   4.647   8.973   3.308
  110    H    VAL  16           HN       VAL  16   3.137   6.503   3.796
  111    HA   VAL  16           HA       VAL  16   1.386   6.575   1.590
  112    HB   VAL  16           HB       VAL  16   3.376   4.921   2.137
  113   HG11  VAL  16          HG11      VAL  16   0.998   3.286   3.012
  114   HG12  VAL  16          HG12      VAL  16   2.292   3.872   4.065
  115   HG13  VAL  16          HG13      VAL  16   2.652   2.709   2.791
  116   HG21  VAL  16          HG21      VAL  16   0.940   4.355   0.511
  117   HG22  VAL  16          HG22      VAL  16   2.311   3.242   0.555
  118   HG23  VAL  16          HG23      VAL  16   2.538   4.896  -0.014
  119    H    ASN  17           HN       ASN  17   1.053   5.886   4.901
  120    HA   ASN  17           HA       ASN  17  -1.474   4.506   4.821
  121    HB2  ASN  17           HB2      ASN  17  -0.181   6.047   7.103
  122    HB3  ASN  17           HB1      ASN  17  -1.546   4.952   7.251
  123   HD21  ASN  17          HD21      ASN  17   0.483   3.595   5.040
  124   HD22  ASN  17          HD22      ASN  17   1.447   2.615   6.092
  125    H    ASP  18           HN       ASP  18  -0.284   7.753   5.348
  126    HA   ASP  18           HA       ASP  18  -2.663   9.036   6.041
  127    HB2  ASP  18           HB2      ASP  18  -0.196  10.075   4.632
  128    HB3  ASP  18           HB1      ASP  18  -1.480  11.118   5.220
  129    H    LYS  19           HN       LYS  19  -1.827   7.725   2.992
  130    HA   LYS  19           HA       LYS  19  -3.475   9.579   1.474
  131    HB2  LYS  19           HB2      LYS  19  -2.153   7.051   0.608
  132    HB3  LYS  19           HB1      LYS  19  -2.777   8.348  -0.423
  133    HG2  LYS  19           HG2      LYS  19  -1.152   9.855   0.243
  134    HG3  LYS  19           HG1      LYS  19  -0.718   8.882   1.669
  135    HD2  LYS  19           HD2      LYS  19  -0.121   7.097  -0.045
  136    HD3  LYS  19           HD1      LYS  19  -0.100   8.437  -1.196
  137    HE2  LYS  19           HE2      LYS  19   1.352   8.462   1.421
  138    HE3  LYS  19           HE1      LYS  19   2.129   7.951  -0.096
  139    HZ1  LYS  19           HZ1      LYS  19   0.951  10.383  -0.655
  140    HZ2  LYS  19           HZ2      LYS  19   2.608  10.100  -0.405
  141    HZ3  LYS  19           HZ3      LYS  19   1.624  10.589   0.894
  142    H    LEU  20           HN       LEU  20  -3.215   6.293   2.393
  143    HA   LEU  20           HA       LEU  20  -5.576   5.270   1.299
  144    HB2  LEU  20           HB2      LEU  20  -3.947   4.368   3.669
  145    HB3  LEU  20           HB1      LEU  20  -5.036   3.359   2.719
  146    HG   LEU  20           HG       LEU  20  -2.510   4.648   1.668
  147   HD11  LEU  20          HD11      LEU  20  -1.411   2.624   1.866
  148   HD12  LEU  20          HD12      LEU  20  -2.907   1.718   2.089
  149   HD13  LEU  20          HD13      LEU  20  -2.302   2.753   3.383
  150   HD21  LEU  20          HD21      LEU  20  -4.127   2.483   0.360
  151   HD22  LEU  20          HD22      LEU  20  -2.874   3.503  -0.345
  152   HD23  LEU  20          HD23      LEU  20  -4.445   4.192   0.065
  153    H    ASN  21           HN       ASN  21  -4.687   6.679   4.370
  154    HA   ASN  21           HA       ASN  21  -7.136   6.132   5.717
  155    HB2  ASN  21           HB2      ASN  21  -4.845   8.011   6.315
  156    HB3  ASN  21           HB1      ASN  21  -6.243   7.858   7.374
  157   HD21  ASN  21          HD21      ASN  21  -5.589   4.871   6.012
  158   HD22  ASN  21          HD22      ASN  21  -4.632   4.212   7.304
  159    H    LYS  22           HN       LYS  22  -8.906   7.037   4.513
  160    HA   LYS  22           HA       LYS  22  -8.715   9.970   4.255
  161    HB2  LYS  22           HB2      LYS  22  -9.683   7.970   2.279
  162    HB3  LYS  22           HB1      LYS  22 -10.396   9.589   2.283
  163    HG2  LYS  22           HG2      LYS  22  -8.197  10.582   1.985
  164    HG3  LYS  22           HG1      LYS  22  -7.447   8.982   2.045
  165    HD2  LYS  22           HD2      LYS  22  -8.371   8.348  -0.007
  166    HD3  LYS  22           HD1      LYS  22  -9.572   9.644   0.028
  167    HE2  LYS  22           HE2      LYS  22  -7.763  10.075  -1.592
  168    HE3  LYS  22           HE1      LYS  22  -7.853  11.304  -0.334
  169    HZ1  LYS  22           HZ1      LYS  22  -5.591  10.140  -1.071
  170    HZ2  LYS  22           HZ2      LYS  22  -6.052   9.077   0.174
  171    HZ3  LYS  22           HZ3      LYS  22  -5.857  10.731   0.501
  172    H    GLY  23           HN       GLY  23 -11.145   7.384   4.781
  173    HA2  GLY  23           HA2      GLY  23 -12.557   8.839   6.648
  174    HA3  GLY  23           HA1      GLY  23 -13.239   9.234   5.063
  175    H    LYS  24           HN       LYS  24 -14.317   7.594   3.870
  176    HA   LYS  24           HA       LYS  24 -16.023   5.914   5.242
  177    HB2  LYS  24           HB2      LYS  24 -16.193   6.484   2.815
  178    HB3  LYS  24           HB1      LYS  24 -14.870   5.350   2.470
  179    HG2  LYS  24           HG2      LYS  24 -16.546   3.912   2.091
  180    HG3  LYS  24           HG1      LYS  24 -16.593   3.758   3.849
  181    HD2  LYS  24           HD2      LYS  24 -18.308   5.552   2.134
  182    HD3  LYS  24           HD1      LYS  24 -18.835   4.114   2.999
  183    HE2  LYS  24           HE2      LYS  24 -17.818   6.669   4.238
  184    HE3  LYS  24           HE1      LYS  24 -19.506   6.172   4.131
  185    HZ1  LYS  24           HZ1      LYS  24 -17.744   5.629   6.179
  186    HZ2  LYS  24           HZ2      LYS  24 -17.902   4.158   5.359
  187    HZ3  LYS  24           HZ3      LYS  24 -19.279   4.937   5.958
  188    H    GLY  25           HN       GLY  25 -13.054   5.080   3.601
  189    HA2  GLY  25           HA2      GLY  25 -12.426   3.083   5.584
  190    HA3  GLY  25           HA1      GLY  25 -12.590   2.517   3.949
  191    H    LYS  26           HN       LYS  26 -10.325   2.400   5.507
  192    HA   LYS  26           HA       LYS  26  -8.460   4.073   4.030
  193    HB2  LYS  26           HB2      LYS  26  -7.555   4.590   6.371
  194    HB3  LYS  26           HB1      LYS  26  -9.014   5.437   5.841
  195    HG2  LYS  26           HG2      LYS  26 -10.268   3.525   6.910
  196    HG3  LYS  26           HG1      LYS  26  -8.743   3.123   7.719
  197    HD2  LYS  26           HD2      LYS  26  -9.907   4.507   9.246
  198    HD3  LYS  26           HD1      LYS  26  -8.722   5.574   8.483
  199    HE2  LYS  26           HE2      LYS  26 -10.532   6.237   6.854
  200    HE3  LYS  26           HE1      LYS  26 -11.660   5.333   7.857
  201    HZ1  LYS  26           HZ1      LYS  26 -11.921   7.365   8.794
  202    HZ2  LYS  26           HZ2      LYS  26 -10.348   7.884   8.408
  203    HZ3  LYS  26           HZ3      LYS  26 -10.597   6.843   9.727
  204    H    LEU  27           HN       LEU  27  -6.226   3.440   4.419
  205    HA   LEU  27           HA       LEU  27  -5.979   0.669   5.333
  206    HB2  LEU  27           HB2      LEU  27  -6.237   0.527   3.030
  207    HB3  LEU  27           HB1      LEU  27  -5.100   1.858   2.729
  208    HG   LEU  27           HG       LEU  27  -3.262   0.448   3.551
  209   HD11  LEU  27          HD11      LEU  27  -3.511  -1.760   4.225
  210   HD12  LEU  27          HD12      LEU  27  -5.066  -1.945   3.411
  211   HD13  LEU  27          HD13      LEU  27  -4.959  -1.019   4.908
  212   HD21  LEU  27          HD21      LEU  27  -2.936  -0.497   1.517
  213   HD22  LEU  27          HD22      LEU  27  -4.365   0.452   1.108
  214   HD23  LEU  27          HD23      LEU  27  -4.523  -1.262   1.487
  215    H    SER  28           HN       SER  28  -3.989   0.060   6.127
  216    HA   SER  28           HA       SER  28  -1.936   2.133   6.390
  217    HB2  SER  28           HB2      SER  28  -3.251   1.949   8.525
  218    HB3  SER  28           HB1      SER  28  -2.830   0.227   8.573
  219    HG   SER  28           HG       SER  28  -1.353   2.391   9.330
  220    H    LEU  29           HN       LEU  29   0.031   1.357   5.822
  221    HA   LEU  29           HA       LEU  29   0.399  -1.551   5.925
  222    HB2  LEU  29           HB2      LEU  29   1.719   0.148   3.831
  223    HB3  LEU  29           HB1      LEU  29   1.515  -1.625   3.906
  224    HG   LEU  29           HG       LEU  29  -0.856   0.198   3.655
  225   HD11  LEU  29          HD11      LEU  29   1.138   0.225   1.795
  226   HD12  LEU  29          HD12      LEU  29  -0.568   0.480   1.425
  227   HD13  LEU  29          HD13      LEU  29   0.150  -1.118   1.216
  228   HD21  LEU  29          HD21      LEU  29  -1.048  -2.228   4.295
  229   HD22  LEU  29          HD22      LEU  29  -0.421  -2.618   2.693
  230   HD23  LEU  29          HD23      LEU  29  -1.945  -1.744   2.856
  231    H    SER  30           HN       SER  30   2.430  -2.244   6.567
  232    HA   SER  30           HA       SER  30   4.612  -0.420   6.850
  233    HB2  SER  30           HB2      SER  30   4.829  -0.661   9.316
  234    HB3  SER  30           HB1      SER  30   3.376   0.222   8.851
  235    HG   SER  30           HG       SER  30   2.133  -1.453   9.435
  236    H    MET  31           HN       MET  31   6.399  -1.632   8.203
  237    HA   MET  31           HA       MET  31   6.225  -4.512   7.651
  238    HB2  MET  31           HB2      MET  31   8.604  -4.527   6.963
  239    HB3  MET  31           HB1      MET  31   7.543  -3.657   5.835
  240    HG2  MET  31           HG2      MET  31   9.341  -2.353   7.880
  241    HG3  MET  31           HG1      MET  31   9.736  -2.578   6.179
  242    HE1  MET  31           HE1      MET  31   9.197   1.227   6.168
  243    HE2  MET  31           HE2      MET  31  10.324  -0.123   6.032
  244    HE3  MET  31           HE3      MET  31   9.773   0.408   7.621
  245    H    ASN  32           HN       ASN  32   6.422  -5.552   9.435
  246    HA   ASN  32           HA       ASN  32   7.732  -4.355  11.750
  247    HB2  ASN  32           HB2      ASN  32   5.525  -5.447  12.060
  248    HB3  ASN  32           HB1      ASN  32   6.217  -6.978  11.489
  249   HD21  ASN  32          HD21      ASN  32   6.657  -8.330  13.054
  250   HD22  ASN  32          HD22      ASN  32   7.191  -7.911  14.656
  251    H    GLY  33           HN       GLY  33   9.882  -4.462  11.118
  252    HA2  GLY  33           HA2      GLY  33  11.986  -5.521  11.133
  253    HA3  GLY  33           HA1      GLY  33  11.154  -7.087  11.295
  254    H    ASN  34           HN       ASN  34  10.806  -8.286   9.523
  255    HA   ASN  34           HA       ASN  34  11.245  -7.033   6.891
  256    HB2  ASN  34           HB2      ASN  34  11.999  -9.838   7.748
  257    HB3  ASN  34           HB1      ASN  34  12.099  -9.230   6.098
  258   HD21  ASN  34          HD21      ASN  34  13.826  -9.813   8.811
  259   HD22  ASN  34          HD22      ASN  34  15.148  -8.709   8.557
  260    H    GLN  35           HN       GLN  35   8.842  -7.346   8.435
  261    HA   GLN  35           HA       GLN  35   7.359  -9.431   6.998
  262    HB2  GLN  35           HB2      GLN  35   7.388  -9.488   9.474
  263    HB3  GLN  35           HB1      GLN  35   6.686  -7.876   9.494
  264    HG2  GLN  35           HG2      GLN  35   4.654  -8.719   8.476
  265    HG3  GLN  35           HG1      GLN  35   5.361 -10.332   8.363
  266   HE21  GLN  35          HE21      GLN  35   6.579  -9.198  11.117
  267   HE22  GLN  35          HE22      GLN  35   5.369  -9.740  12.247
  268    H    LEU  36           HN       LEU  36   5.162  -8.901   6.285
  269    HA   LEU  36           HA       LEU  36   4.912  -6.068   5.540
  270    HB2  LEU  36           HB2      LEU  36   5.349  -7.427   3.670
  271    HB3  LEU  36           HB1      LEU  36   4.091  -8.587   4.102
  272    HG   LEU  36           HG       LEU  36   3.583  -7.151   2.107
  273   HD11  LEU  36          HD11      LEU  36   1.497  -7.698   2.628
  274   HD12  LEU  36          HD12      LEU  36   1.377  -6.222   3.583
  275   HD13  LEU  36          HD13      LEU  36   1.884  -7.727   4.348
  276   HD21  LEU  36          HD21      LEU  36   4.539  -5.058   2.712
  277   HD22  LEU  36          HD22      LEU  36   3.567  -4.959   4.181
  278   HD23  LEU  36          HD23      LEU  36   2.795  -4.821   2.602
  279    H    LYS  37           HN       LYS  37   3.277  -4.990   6.271
  280    HA   LYS  37           HA       LYS  37   1.096  -6.451   7.609
  281    HB2  LYS  37           HB2      LYS  37   2.633  -4.017   8.553
  282    HB3  LYS  37           HB1      LYS  37   1.321  -4.827   9.437
  283    HG2  LYS  37           HG2      LYS  37   3.895  -6.182   8.640
  284    HG3  LYS  37           HG1      LYS  37   3.655  -5.367  10.199
  285    HD2  LYS  37           HD2      LYS  37   2.012  -7.682   9.160
  286    HD3  LYS  37           HD1      LYS  37   3.321  -7.815  10.325
  287    HE2  LYS  37           HE2      LYS  37   1.281  -7.861  11.549
  288    HE3  LYS  37           HE1      LYS  37   2.028  -6.292  11.837
  289    HZ1  LYS  37           HZ1      LYS  37  -0.491  -6.450  11.322
  290    HZ2  LYS  37           HZ2      LYS  37   0.008  -6.585   9.704
  291    HZ3  LYS  37           HZ3      LYS  37   0.422  -5.205  10.610
  292    H    ALA  38           HN       ALA  38  -0.795  -5.905   6.774
  293    HA   ALA  38           HA       ALA  38  -1.308  -3.098   6.093
  294    HB1  ALA  38           HB1      ALA  38  -2.251  -3.667   4.149
  295    HB2  ALA  38           HB2      ALA  38  -3.111  -5.030   4.867
  296    HB3  ALA  38           HB3      ALA  38  -1.434  -5.217   4.348
  297    H    THR  39           HN       THR  39  -3.134  -2.216   6.826
  298    HA   THR  39           HA       THR  39  -5.128  -3.810   8.206
  299    HB   THR  39           HB       THR  39  -5.036  -2.103  10.126
  300    HG1  THR  39           HG1      THR  39  -2.505  -1.687   8.932
  301   HG21  THR  39          HG21      THR  39  -4.283  -3.918  11.157
  302   HG22  THR  39          HG22      THR  39  -2.658  -3.306  10.841
  303   HG23  THR  39          HG23      THR  39  -3.399  -4.458   9.730
  304    H    SER  40           HN       SER  40  -7.133  -3.002   7.857
  305    HA   SER  40           HA       SER  40  -7.338  -0.291   6.667
  306    HB2  SER  40           HB2      SER  40  -9.399  -1.075   5.613
  307    HB3  SER  40           HB1      SER  40  -8.011  -2.052   5.129
  308    HG   SER  40           HG       SER  40  -8.819  -3.362   7.125
  309    H    SER  41           HN       SER  41  -8.922   1.055   7.511
  310    HA   SER  41           HA       SER  41 -10.050   0.028  10.025
  311    HB2  SER  41           HB2      SER  41  -8.644   2.004  10.359
  312    HB3  SER  41           HB1      SER  41  -9.621   2.913   9.208
  313    HG   SER  41           HG       SER  41  -9.999   2.784  11.767
  314    H    ASN  42           HN       ASN  42 -12.191   0.408  10.543
  315    HA   ASN  42           HA       ASN  42 -14.437   0.588  10.196
  316    HB2  ASN  42           HB2      ASN  42 -13.695   1.628   7.447
  317    HB3  ASN  42           HB1      ASN  42 -15.388   1.391   8.019
  318   HD21  ASN  42          HD21      ASN  42 -13.038   3.629   7.622
  319   HD22  ASN  42          HD22      ASN  42 -13.509   4.772   8.856
  320    H    ALA  43           HN       ALA  43 -12.250  -1.371   8.974
  321    HA   ALA  43           HA       ALA  43 -12.220  -3.485   8.081
  322    HB1  ALA  43           HB1      ALA  43 -12.894  -4.505   9.917
  323    HB2  ALA  43           HB2      ALA  43 -14.517  -4.557   9.228
  324    HB3  ALA  43           HB3      ALA  43 -14.049  -3.221  10.278
  325    H    GLY  44           HN       GLY  44 -13.050  -2.242   5.900
  326    HA2  GLY  44           HA2      GLY  44 -13.869  -3.635   4.050
  327    HA3  GLY  44           HA1      GLY  44 -15.331  -3.909   5.042
  328    H    TYR  45           HN       TYR  45 -13.714  -0.814   4.563
  329    HA   TYR  45           HA       TYR  45 -15.857  -0.054   2.726
  330    HB2  TYR  45           HB2      TYR  45 -14.792   1.619   5.017
  331    HB3  TYR  45           HB1      TYR  45 -15.729   2.290   3.673
  332    HD1  TYR  45           HD1      TYR  45 -15.919  -0.406   6.271
  333    HD2  TYR  45           HD2      TYR  45 -18.084   2.451   3.960
  334    HE1  TYR  45           HE1      TYR  45 -17.976  -0.982   7.479
  335    HE2  TYR  45           HE2      TYR  45 -20.130   1.880   5.173
  336    HH   TYR  45           HH       TYR  45 -20.498  -0.849   6.989
  337    H    GLY  46           HN       GLY  46 -15.233   1.396   1.096
  338    HA2  GLY  46           HA2      GLY  46 -12.356   1.441   0.581
  339    HA3  GLY  46           HA1      GLY  46 -13.622   1.881  -0.564
  340    H    ILE  47           HN       ILE  47 -12.029   3.729  -0.828
  341    HA   ILE  47           HA       ILE  47 -11.388   5.700   0.963
  342    HB   ILE  47           HB       ILE  47 -12.534   6.144  -1.770
  343   HG12  ILE  47          HG12      ILE  47 -10.736   4.530  -1.790
  344   HG13  ILE  47          HG11      ILE  47 -10.228   6.066  -2.491
  345   HG21  ILE  47          HG21      ILE  47 -11.838   8.017   0.146
  346   HG22  ILE  47          HG22      ILE  47 -11.982   8.309  -1.587
  347   HG23  ILE  47          HG23      ILE  47 -10.410   7.922  -0.885
  348   HD11  ILE  47          HD11      ILE  47  -9.584   5.039   0.252
  349   HD12  ILE  47          HD12      ILE  47  -9.139   6.637  -0.351
  350   HD13  ILE  47          HD13      ILE  47  -8.468   5.188  -1.105
  351    H    SER  48           HN       SER  48 -14.182   5.560  -1.064
  352    HA   SER  48           HA       SER  48 -16.170   5.862   0.743
  353    HB2  SER  48           HB2      SER  48 -15.294   8.012   1.428
  354    HB3  SER  48           HB1      SER  48 -15.284   8.569  -0.253
  355    HG   SER  48           HG       SER  48 -17.118   9.265   1.094
  356    H    TYR  49           HN       TYR  49 -16.490   8.257  -1.710
  357    HA   TYR  49           HA       TYR  49 -17.648   6.228  -3.478
  358    HB2  TYR  49           HB2      TYR  49 -19.183   8.128  -4.266
  359    HB3  TYR  49           HB1      TYR  49 -19.542   7.323  -2.729
  360    HD1  TYR  49           HD1      TYR  49 -17.048  10.040  -3.445
  361    HD2  TYR  49           HD2      TYR  49 -20.683   8.989  -1.463
  362    HE1  TYR  49           HE1      TYR  49 -17.070  12.216  -2.313
  363    HE2  TYR  49           HE2      TYR  49 -20.694  11.159  -0.339
  364    HH   TYR  49           HH       TYR  49 -19.183  13.725  -1.244
  365    H    GLU  50           HN       GLU  50 -15.491   6.187  -4.307
  366    HA   GLU  50           HA       GLU  50 -15.389   7.724  -6.704
  367    HB2  GLU  50           HB2      GLU  50 -13.273   8.070  -4.617
  368    HB3  GLU  50           HB1      GLU  50 -12.849   8.177  -6.317
  369    HG2  GLU  50           HG2      GLU  50 -14.898   9.859  -4.905
  370    HG3  GLU  50           HG1      GLU  50 -13.251  10.342  -5.327
  371    H    ASP  51           HN       ASP  51 -12.933   7.078  -7.658
  372    HA   ASP  51           HA       ASP  51 -12.604   4.209  -7.176
  373    HB2  ASP  51           HB2      ASP  51 -12.724   5.417  -9.948
  374    HB3  ASP  51           HB1      ASP  51 -12.285   3.747  -9.579
  375    H    LYS  52           HN       LYS  52 -10.527   3.472  -7.218
  376    HA   LYS  52           HA       LYS  52  -8.414   5.171  -8.248
  377    HB2  LYS  52           HB2      LYS  52  -8.392   4.165  -5.423
  378    HB3  LYS  52           HB1      LYS  52  -7.032   4.914  -6.239
  379    HG2  LYS  52           HG2      LYS  52  -7.891   6.608  -4.909
  380    HG3  LYS  52           HG1      LYS  52  -8.562   6.953  -6.503
  381    HD2  LYS  52           HD2      LYS  52 -10.665   5.829  -5.824
  382    HD3  LYS  52           HD1      LYS  52  -9.973   5.586  -4.212
  383    HE2  LYS  52           HE2      LYS  52 -10.512   8.232  -5.560
  384    HE3  LYS  52           HE1      LYS  52 -11.381   7.548  -4.185
  385    HZ1  LYS  52           HZ1      LYS  52  -8.926   7.531  -3.199
  386    HZ2  LYS  52           HZ2      LYS  52  -9.946   8.890  -3.073
  387    HZ3  LYS  52           HZ3      LYS  52  -8.757   8.828  -4.285
  388    H    ASN  53           HN       ASN  53  -6.614   4.003  -8.893
  389    HA   ASN  53           HA       ASN  53  -6.850   1.084  -8.558
  390    HB2  ASN  53           HB2      ASN  53  -5.791   2.663 -10.904
  391    HB3  ASN  53           HB1      ASN  53  -5.468   0.933 -10.681
  392   HD21  ASN  53          HD21      ASN  53  -8.475   1.554  -9.395
  393   HD22  ASN  53          HD22      ASN  53  -9.416   1.088 -10.784
  394    H    TRP  54           HN       TRP  54  -5.046  -0.063  -7.979
  395    HA   TRP  54           HA       TRP  54  -2.769   1.603  -7.177
  396    HB2  TRP  54           HB2      TRP  54  -4.537  -0.044  -5.575
  397    HB3  TRP  54           HB1      TRP  54  -2.829  -0.523  -5.396
  398    HD1  TRP  54           HD1      TRP  54  -4.877   2.811  -5.231
  399    HE1  TRP  54           HE1      TRP  54  -3.669   4.297  -3.499
  400    HE3  TRP  54           HE3      TRP  54  -1.041  -0.295  -4.098
  401    HZ2  TRP  54           HZ2      TRP  54  -1.309   4.143  -1.922
  402    HZ3  TRP  54           HZ3      TRP  54   0.634   0.430  -2.483
  403    HH2  TRP  54           HH2      TRP  54   0.490   2.594  -1.410
  404    H    GLY  55           HN       GLY  55  -0.743   0.651  -6.910
  405    HA2  GLY  55           HA2      GLY  55  -0.439  -2.061  -7.928
  406    HA3  GLY  55           HA1      GLY  55   0.461  -0.797  -8.764
  407    H    ILE  56           HN       ILE  56   1.557  -2.937  -7.588
  408    HA   ILE  56           HA       ILE  56   3.356  -1.812  -5.525
  409    HB   ILE  56           HB       ILE  56   2.180  -4.631  -5.547
  410   HG12  ILE  56          HG12      ILE  56   1.711  -2.394  -3.555
  411   HG13  ILE  56          HG11      ILE  56   0.550  -2.919  -4.801
  412   HG21  ILE  56          HG21      ILE  56   4.091  -3.308  -3.632
  413   HG22  ILE  56          HG22      ILE  56   4.440  -4.645  -4.728
  414   HG23  ILE  56          HG23      ILE  56   3.329  -4.877  -3.378
  415   HD11  ILE  56          HD11      ILE  56   1.510  -4.414  -2.382
  416   HD12  ILE  56          HD12      ILE  56   0.694  -5.210  -3.731
  417   HD13  ILE  56          HD13      ILE  56  -0.137  -3.948  -2.816
  418    H    PHE  57           HN       PHE  57   5.176  -1.684  -6.836
  419    HA   PHE  57           HA       PHE  57   5.549  -3.831  -8.788
  420    HB2  PHE  57           HB2      PHE  57   7.001  -1.173  -8.764
  421    HB3  PHE  57           HB1      PHE  57   6.906  -2.347 -10.087
  422    HD1  PHE  57           HD1      PHE  57   4.746  -0.092  -8.028
  423    HD2  PHE  57           HD2      PHE  57   5.310  -2.116 -11.729
  424    HE1  PHE  57           HE1      PHE  57   2.768   1.027  -8.930
  425    HE2  PHE  57           HE2      PHE  57   3.323  -0.989 -12.643
  426    HZ   PHE  57           HZ       PHE  57   2.041   0.577 -11.238
  427    H    VAL  58           HN       VAL  58   6.817  -5.408  -8.188
  428    HA   VAL  58           HA       VAL  58   9.151  -4.903  -6.505
  429    HB   VAL  58           HB       VAL  58   8.054  -7.503  -7.605
  430   HG11  VAL  58          HG11      VAL  58  10.086  -7.263  -5.418
  431   HG12  VAL  58          HG12      VAL  58  10.575  -7.316  -7.114
  432   HG13  VAL  58          HG13      VAL  58   9.678  -8.664  -6.413
  433   HG21  VAL  58          HG21      VAL  58   6.994  -7.857  -5.605
  434   HG22  VAL  58          HG22      VAL  58   6.843  -6.104  -5.734
  435   HG23  VAL  58          HG23      VAL  58   8.097  -6.809  -4.712
  436    H    ASN  59           HN       ASN  59  10.867  -4.168  -7.527
  437    HA   ASN  59           HA       ASN  59  12.450  -3.752  -9.090
  438    HB2  ASN  59           HB2      ASN  59  11.983  -6.677  -9.720
  439    HB3  ASN  59           HB1      ASN  59  13.329  -5.709 -10.370
  440   HD21  ASN  59          HD21      ASN  59  15.151  -5.967  -9.314
  441   HD22  ASN  59          HD22      ASN  59  15.323  -6.341  -7.635
  442    H    GLY  60           HN       GLY  60  10.239  -2.641  -9.868
  443    HA2  GLY  60           HA2      GLY  60   9.172  -1.745 -11.675
  444    HA3  GLY  60           HA1      GLY  60  10.493  -2.418 -12.651
  445    H    GLU  61           HN       GLU  61   7.928  -3.911 -10.720
  446    HA   GLU  61           HA       GLU  61   6.564  -4.893 -13.068
  447    HB2  GLU  61           HB2      GLU  61   8.393  -6.510 -12.853
  448    HB3  GLU  61           HB1      GLU  61   7.952  -6.804 -11.174
  449    HG2  GLU  61           HG2      GLU  61   5.833  -7.753 -11.875
  450    HG3  GLU  61           HG1      GLU  61   6.227  -7.414 -13.567
  451    H    LYS  62           HN       LYS  62   4.480  -4.580 -12.556
  452    HA   LYS  62           HA       LYS  62   3.650  -4.266  -9.843
  453    HB2  LYS  62           HB2      LYS  62   2.654  -3.000 -11.753
  454    HB3  LYS  62           HB1      LYS  62   1.921  -4.518 -12.323
  455    HG2  LYS  62           HG2      LYS  62   0.581  -4.672 -10.319
  456    HG3  LYS  62           HG1      LYS  62   1.381  -3.232  -9.640
  457    HD2  LYS  62           HD2      LYS  62  -0.726  -2.518 -10.471
  458    HD3  LYS  62           HD1      LYS  62   0.483  -1.943 -11.615
  459    HE2  LYS  62           HE2      LYS  62  -1.239  -4.401 -11.964
  460    HE3  LYS  62           HE1      LYS  62  -1.534  -2.837 -12.715
  461    HZ1  LYS  62           HZ1      LYS  62   0.430  -4.888 -13.381
  462    HZ2  LYS  62           HZ2      LYS  62   0.929  -3.268 -13.560
  463    HZ3  LYS  62           HZ3      LYS  62  -0.437  -3.834 -14.393
  464    H    VAL  63           HN       VAL  63   3.731  -6.045  -8.619
  465    HA   VAL  63           HA       VAL  63   2.977  -8.612  -9.681
  466    HB   VAL  63           HB       VAL  63   3.665  -9.523  -7.574
  467   HG11  VAL  63          HG11      VAL  63   5.390  -7.725  -9.140
  468   HG12  VAL  63          HG12      VAL  63   5.551  -9.451  -8.805
  469   HG13  VAL  63          HG13      VAL  63   6.041  -8.268  -7.592
  470   HG21  VAL  63          HG21      VAL  63   3.008  -8.001  -5.920
  471   HG22  VAL  63          HG22      VAL  63   3.814  -6.650  -6.720
  472   HG23  VAL  63          HG23      VAL  63   4.768  -7.897  -5.918
  473    H    TYR  64           HN       TYR  64   1.470  -6.168  -7.714
  474    HA   TYR  64           HA       TYR  64  -0.911  -7.850  -7.628
  475    HB2  TYR  64           HB2      TYR  64   0.193  -8.108  -5.426
  476    HB3  TYR  64           HB1      TYR  64   0.091  -6.345  -5.208
  477    HD1  TYR  64           HD1      TYR  64  -2.442  -8.724  -6.574
  478    HD2  TYR  64           HD2      TYR  64  -1.419  -6.052  -3.421
  479    HE1  TYR  64           HE1      TYR  64  -4.699  -8.967  -5.636
  480    HE2  TYR  64           HE2      TYR  64  -3.667  -6.291  -2.484
  481    HH   TYR  64           HH       TYR  64  -5.544  -8.219  -2.633
  482    H    THR  65           HN       THR  65  -2.781  -6.804  -7.943
  483    HA   THR  65           HA       THR  65  -2.745  -3.879  -7.988
  484    HB   THR  65           HB       THR  65  -4.354  -5.624  -9.730
  485    HG1  THR  65           HG1      THR  65  -2.010  -5.443 -10.168
  486   HG21  THR  65          HG21      THR  65  -4.587  -3.401 -11.032
  487   HG22  THR  65          HG22      THR  65  -4.212  -2.669  -9.474
  488   HG23  THR  65          HG23      THR  65  -5.630  -3.703  -9.643
  489    H    PHE  66           HN       PHE  66  -3.974  -3.062  -6.438
  490    HA   PHE  66           HA       PHE  66  -6.574  -4.347  -5.961
  491    HB2  PHE  66           HB2      PHE  66  -6.558  -3.866  -3.608
  492    HB3  PHE  66           HB1      PHE  66  -5.159  -4.897  -4.020
  493    HD1  PHE  66           HD1      PHE  66  -6.081  -1.313  -3.424
  494    HD2  PHE  66           HD2      PHE  66  -3.079  -4.324  -3.186
  495    HE1  PHE  66           HE1      PHE  66  -4.630   0.235  -2.188
  496    HE2  PHE  66           HE2      PHE  66  -1.622  -2.775  -1.951
  497    HZ   PHE  66           HZ       PHE  66  -2.396  -0.487  -1.445
  498    H    ASN  67           HN       ASN  67  -8.185  -2.780  -5.250
  499    HA   ASN  67           HA       ASN  67  -7.484  -0.106  -6.272
  500    HB2  ASN  67           HB2      ASN  67 -10.037  -1.672  -6.753
  501    HB3  ASN  67           HB1      ASN  67  -9.691  -0.046  -7.360
  502   HD21  ASN  67          HD21      ASN  67  -9.791  -3.194  -8.189
  503   HD22  ASN  67          HD22      ASN  67  -8.667  -3.195  -9.503
  504    H    GLU  68           HN       GLU  68  -8.431   1.639  -5.234
  505    HA   GLU  68           HA       GLU  68  -9.434   1.253  -2.584
  506    HB2  GLU  68           HB2      GLU  68  -9.647   3.708  -4.311
  507    HB3  GLU  68           HB1      GLU  68  -9.751   3.642  -2.566
  508    HG2  GLU  68           HG2      GLU  68  -7.282   2.722  -3.971
  509    HG3  GLU  68           HG1      GLU  68  -7.569   4.452  -3.677
  510    H    LYS  69           HN       LYS  69 -10.704   0.938  -5.610
  511    HA   LYS  69           HA       LYS  69 -13.472   1.573  -5.286
  512    HB2  LYS  69           HB2      LYS  69 -12.202  -0.656  -6.893
  513    HB3  LYS  69           HB1      LYS  69 -13.783   0.100  -7.174
  514    HG2  LYS  69           HG2      LYS  69 -12.747   2.161  -7.857
  515    HG3  LYS  69           HG1      LYS  69 -11.136   1.535  -7.427
  516    HD2  LYS  69           HD2      LYS  69 -11.529   1.436  -9.845
  517    HD3  LYS  69           HD1      LYS  69 -11.336  -0.177  -9.155
  518    HE2  LYS  69           HE2      LYS  69 -13.791  -0.426  -9.127
  519    HE3  LYS  69           HE1      LYS  69 -13.945   1.163  -9.880
  520    HZ1  LYS  69           HZ1      LYS  69 -13.999  -0.945 -11.342
  521    HZ2  LYS  69           HZ2      LYS  69 -12.309  -0.935 -11.163
  522    HZ3  LYS  69           HZ3      LYS  69 -13.098   0.394 -11.873
  523    H    SER  70           HN       SER  70 -11.412  -1.235  -4.936
  524    HA   SER  70           HA       SER  70 -13.302  -2.920  -3.645
  525    HB2  SER  70           HB2      SER  70 -11.270  -3.786  -4.839
  526    HB3  SER  70           HB1      SER  70 -10.280  -3.052  -3.534
  527    HG   SER  70           HG       SER  70 -10.612  -5.162  -2.954
  528    H    THR  71           HN       THR  71 -13.679  -3.072  -1.450
  529    HA   THR  71           HA       THR  71 -13.116  -0.826   0.171
  530    HB   THR  71           HB       THR  71 -14.001  -2.195   1.980
  531    HG1  THR  71           HG1      THR  71 -13.919  -4.291   0.063
  532   HG21  THR  71          HG21      THR  71 -15.949  -3.153   0.154
  533   HG22  THR  71          HG22      THR  71 -15.387  -1.575  -0.395
  534   HG23  THR  71          HG23      THR  71 -16.035  -1.761   1.235
  535    H    VAL  72           HN       VAL  72 -11.200  -0.322   1.151
  536    HA   VAL  72           HA       VAL  72  -8.973  -1.803   0.900
  537    HB   VAL  72           HB       VAL  72  -8.546  -0.166   3.197
  538   HG11  VAL  72          HG11      VAL  72  -7.680   0.805   0.572
  539   HG12  VAL  72          HG12      VAL  72  -7.318  -0.899   0.853
  540   HG13  VAL  72          HG13      VAL  72  -6.738   0.321   1.983
  541   HG21  VAL  72          HG21      VAL  72 -10.683   0.979   2.319
  542   HG22  VAL  72          HG22      VAL  72  -9.767   1.344   0.837
  543   HG23  VAL  72          HG23      VAL  72  -9.241   1.994   2.394
  544    H    GLY  73           HN       GLY  73 -11.487  -2.322   2.966
  545    HA2  GLY  73           HA2      GLY  73 -10.182  -3.737   5.081
  546    HA3  GLY  73           HA1      GLY  73 -11.871  -3.798   4.618
  547    H    ASN  74           HN       ASN  74 -12.157  -4.799   2.328
  548    HA   ASN  74           HA       ASN  74 -11.451  -7.534   2.528
  549    HB2  ASN  74           HB2      ASN  74 -13.457  -6.722   1.310
  550    HB3  ASN  74           HB1      ASN  74 -12.395  -6.000   0.089
  551   HD21  ASN  74          HD21      ASN  74 -12.130  -7.164  -1.660
  552   HD22  ASN  74          HD22      ASN  74 -12.243  -8.898  -1.765
  553    H    ILE  75           HN       ILE  75  -9.968  -4.774   1.104
  554    HA   ILE  75           HA       ILE  75  -8.126  -6.144  -0.623
  555    HB   ILE  75           HB       ILE  75  -7.912  -3.464   0.681
  556   HG12  ILE  75          HG12      ILE  75  -8.728  -4.144  -2.181
  557   HG13  ILE  75          HG11      ILE  75  -9.817  -3.590  -0.873
  558   HG21  ILE  75          HG21      ILE  75  -6.174  -4.826  -1.313
  559   HG22  ILE  75          HG22      ILE  75  -5.728  -3.964   0.158
  560   HG23  ILE  75          HG23      ILE  75  -6.276  -3.066  -1.256
  561   HD11  ILE  75          HD11      ILE  75  -7.706  -1.739  -1.011
  562   HD12  ILE  75          HD12      ILE  75  -9.394  -1.514  -1.470
  563   HD13  ILE  75          HD13      ILE  75  -8.220  -2.060  -2.666
  564    H    SER  76           HN       SER  76  -7.917  -4.886   2.705
  565    HA   SER  76           HA       SER  76  -5.203  -5.741   2.942
  566    HB2  SER  76           HB2      SER  76  -5.864  -3.844   4.231
  567    HB3  SER  76           HB1      SER  76  -7.160  -4.752   5.024
  568    HG   SER  76           HG       SER  76  -5.260  -6.155   5.711
  569    H    ASN  77           HN       ASN  77  -8.198  -7.292   3.318
  570    HA   ASN  77           HA       ASN  77  -7.235  -9.491   4.902
  571    HB2  ASN  77           HB2      ASN  77  -9.520  -9.284   2.923
  572    HB3  ASN  77           HB1      ASN  77  -9.113 -10.770   3.789
  573   HD21  ASN  77          HD21      ASN  77 -11.164  -8.264   3.800
  574   HD22  ASN  77          HD22      ASN  77 -11.527  -8.169   5.492
  575    H    ASP  78           HN       ASP  78  -7.106  -8.401   1.596
  576    HA   ASP  78           HA       ASP  78  -5.918 -10.838   0.604
  577    HB2  ASP  78           HB2      ASP  78  -6.283  -8.113  -0.640
  578    HB3  ASP  78           HB1      ASP  78  -5.450  -9.450  -1.466
  579    H    ILE  79           HN       ILE  79  -4.729  -7.650   1.590
  580    HA   ILE  79           HA       ILE  79  -2.150  -8.085   0.573
  581    HB   ILE  79           HB       ILE  79  -2.757  -6.259   2.927
  582   HG12  ILE  79          HG12      ILE  79  -3.014  -5.700  -0.047
  583   HG13  ILE  79          HG11      ILE  79  -4.378  -5.907   1.077
  584   HG21  ILE  79          HG21      ILE  79  -0.362  -6.689   2.203
  585   HG22  ILE  79          HG22      ILE  79  -0.875  -5.000   2.147
  586   HG23  ILE  79          HG23      ILE  79  -0.778  -5.941   0.661
  587   HD11  ILE  79          HD11      ILE  79  -3.854  -3.552   0.519
  588   HD12  ILE  79          HD12      ILE  79  -2.281  -3.755   1.294
  589   HD13  ILE  79          HD13      ILE  79  -3.758  -3.908   2.245
  590    H    ASN  80           HN       ASN  80  -3.702  -9.357   3.288
  591    HA   ASN  80           HA       ASN  80  -1.415  -9.920   4.892
  592    HB2  ASN  80           HB2      ASN  80  -4.210 -11.052   4.834
  593    HB3  ASN  80           HB1      ASN  80  -2.990 -11.534   5.996
  594   HD21  ASN  80          HD21      ASN  80  -2.269  -8.436   5.453
  595   HD22  ASN  80          HD22      ASN  80  -3.236  -7.669   6.678
  596    H    LYS  81           HN       LYS  81  -3.274 -11.754   2.443
  597    HA   LYS  81           HA       LYS  81  -1.584 -14.034   2.732
  598    HB2  LYS  81           HB2      LYS  81  -2.626 -14.809   0.564
  599    HB3  LYS  81           HB1      LYS  81  -3.703 -14.599   1.932
  600    HG2  LYS  81           HG2      LYS  81  -3.419 -12.293   0.122
  601    HG3  LYS  81           HG1      LYS  81  -4.267 -13.721  -0.513
  602    HD2  LYS  81           HD2      LYS  81  -4.887 -12.313   2.076
  603    HD3  LYS  81           HD1      LYS  81  -5.776 -12.090   0.565
  604    HE2  LYS  81           HE2      LYS  81  -6.410 -14.460   0.601
  605    HE3  LYS  81           HE1      LYS  81  -5.513 -14.676   2.105
  606    HZ1  LYS  81           HZ1      LYS  81  -7.807 -12.804   1.781
  607    HZ2  LYS  81           HZ2      LYS  81  -7.009 -13.200   3.226
  608    HZ3  LYS  81           HZ3      LYS  81  -7.938 -14.370   2.424
  609    H    LEU  82           HN       LEU  82  -1.878 -11.510   0.227
  610    HA   LEU  82           HA       LEU  82   0.112 -12.247  -1.484
  611    HB2  LEU  82           HB2      LEU  82  -0.935  -9.621  -0.599
  612    HB3  LEU  82           HB1      LEU  82   0.424  -9.702  -1.734
  613    HG   LEU  82           HG       LEU  82  -1.806  -9.458  -2.784
  614   HD11  LEU  82          HD11      LEU  82  -1.155 -10.603  -4.633
  615   HD12  LEU  82          HD12      LEU  82  -0.826 -12.073  -3.716
  616   HD13  LEU  82          HD13      LEU  82   0.328 -10.740  -3.689
  617   HD21  LEU  82          HD21      LEU  82  -3.261 -11.388  -3.026
  618   HD22  LEU  82          HD22      LEU  82  -3.176 -10.825  -1.357
  619   HD23  LEU  82          HD23      LEU  82  -2.271 -12.259  -1.854
  620    H    ASN  83           HN       ASN  83   0.450 -10.812   1.678
  621    HA   ASN  83           HA       ASN  83   2.294 -10.050   2.882
  622    HB2  ASN  83           HB2      ASN  83   1.973 -12.502   3.253
  623    HB3  ASN  83           HB1      ASN  83   3.184 -12.811   2.009
  624   HD21  ASN  83          HD21      ASN  83   4.056 -10.057   3.667
  625   HD22  ASN  83          HD22      ASN  83   5.144 -10.776   4.819
  626    H    ILE  84           HN       ILE  84   2.811  -8.518   0.959
  627    HA   ILE  84           HA       ILE  84   5.096  -9.363  -0.574
  628    HB   ILE  84           HB       ILE  84   3.597  -6.767  -0.734
  629   HG12  ILE  84          HG12      ILE  84   3.316  -9.311  -2.360
  630   HG13  ILE  84          HG11      ILE  84   2.133  -8.688  -1.185
  631   HG21  ILE  84          HG21      ILE  84   4.588  -7.023  -3.163
  632   HG22  ILE  84          HG22      ILE  84   5.803  -7.980  -2.316
  633   HG23  ILE  84          HG23      ILE  84   5.533  -6.297  -1.863
  634   HD11  ILE  84          HD11      ILE  84   1.777  -6.734  -2.598
  635   HD12  ILE  84          HD12      ILE  84   1.455  -8.230  -3.472
  636   HD13  ILE  84          HD13      ILE  84   2.956  -7.348  -3.756
  637    H    LYS  85           HN       LYS  85   6.938  -9.329   0.568
  638    HA   LYS  85           HA       LYS  85   7.792  -6.704   1.534
  639    HB2  LYS  85           HB2      LYS  85   9.128  -8.121   3.320
  640    HB3  LYS  85           HB1      LYS  85   7.493  -7.580   3.607
  641    HG2  LYS  85           HG2      LYS  85   7.777  -9.877   4.339
  642    HG3  LYS  85           HG1      LYS  85   6.614  -9.772   3.025
  643    HD2  LYS  85           HD2      LYS  85   7.917 -11.703   2.629
  644    HD3  LYS  85           HD1      LYS  85   8.470 -10.492   1.476
  645    HE2  LYS  85           HE2      LYS  85  10.418 -10.029   2.895
  646    HE3  LYS  85           HE1      LYS  85   9.850 -11.218   4.068
  647    HZ1  LYS  85           HZ1      LYS  85  11.490 -12.254   2.717
  648    HZ2  LYS  85           HZ2      LYS  85  10.768 -11.704   1.283
  649    HZ3  LYS  85           HZ3      LYS  85   9.990 -12.886   2.224
  650    H    GLY  86           HN       GLY  86   9.065  -6.241  -0.192
  651    HA2  GLY  86           HA2      GLY  86  11.075  -6.142  -1.322
  652    HA3  GLY  86           HA1      GLY  86  11.692  -7.336  -0.161
  653    HA   PRO  87           HA       PRO  87  12.981  -6.543  -2.096
  654    HB2  PRO  87           HB2      PRO  87  14.277  -6.681  -4.407
  655    HB3  PRO  87           HB1      PRO  87  14.426  -7.961  -3.203
  656    HG2  PRO  87           HG2      PRO  87  12.839  -7.894  -5.724
  657    HG3  PRO  87           HG1      PRO  87  13.750  -9.238  -5.009
  658    HD2  PRO  87           HD2      PRO  87  10.967  -8.816  -4.766
  659    HD3  PRO  87           HD1      PRO  87  11.966  -9.923  -3.770
  660    H    TYR  88           HN       TYR  88  13.704  -4.627  -3.534
  661    HA   TYR  88           HA       TYR  88  12.664  -2.487  -3.772
  662    HB2  TYR  88           HB2      TYR  88  12.916  -3.729  -6.525
  663    HB3  TYR  88           HB1      TYR  88  12.878  -1.973  -6.158
  664    HD1  TYR  88           HD1      TYR  88  14.896  -0.864  -5.933
  665    HD2  TYR  88           HD2      TYR  88  14.810  -5.070  -5.323
  666    HE1  TYR  88           HE1      TYR  88  17.347  -0.881  -5.729
  667    HE2  TYR  88           HE2      TYR  88  17.254  -5.099  -5.101
  668    HH   TYR  88           HH       TYR  88  19.070  -2.640  -4.423
  669    H    ILE  89           HN       ILE  89  10.588  -2.276  -3.006
  670    HA   ILE  89           HA       ILE  89   8.428  -3.046  -4.848
  671    HB   ILE  89           HB       ILE  89   8.308  -2.439  -1.883
  672   HG12  ILE  89          HG12      ILE  89   7.926  -5.038  -3.417
  673   HG13  ILE  89          HG11      ILE  89   9.392  -4.652  -2.477
  674   HG21  ILE  89          HG21      ILE  89   6.154  -3.413  -3.751
  675   HG22  ILE  89          HG22      ILE  89   6.271  -1.791  -3.068
  676   HG23  ILE  89          HG23      ILE  89   6.005  -3.178  -2.010
  677   HD11  ILE  89          HD11      ILE  89   7.719  -6.143  -1.347
  678   HD12  ILE  89          HD12      ILE  89   6.614  -4.769  -1.299
  679   HD13  ILE  89          HD13      ILE  89   8.153  -4.693  -0.443
  680    H    GLU  90           HN       GLU  90   7.018  -1.632  -5.616
  681    HA   GLU  90           HA       GLU  90   7.173   1.141  -4.643
  682    HB2  GLU  90           HB2      GLU  90   6.312   0.286  -7.412
  683    HB3  GLU  90           HB1      GLU  90   6.377   1.944  -6.797
  684    HG2  GLU  90           HG2      GLU  90   8.767   0.133  -7.105
  685    HG3  GLU  90           HG1      GLU  90   8.278   1.373  -8.258
  686    H    ILE  91           HN       ILE  91   5.676   0.897  -3.116
  687    HA   ILE  91           HA       ILE  91   3.011  -0.064  -3.740
  688    HB   ILE  91           HB       ILE  91   4.432   0.641  -1.190
  689   HG12  ILE  91          HG12      ILE  91   3.188  -1.889  -2.243
  690   HG13  ILE  91          HG11      ILE  91   4.903  -1.555  -2.019
  691   HG21  ILE  91          HG21      ILE  91   2.586   0.552   0.126
  692   HG22  ILE  91          HG22      ILE  91   1.652  -0.367  -1.052
  693   HG23  ILE  91          HG23      ILE  91   1.936   1.358  -1.297
  694   HD11  ILE  91          HD11      ILE  91   4.300  -1.268   0.461
  695   HD12  ILE  91          HD12      ILE  91   4.360  -2.898  -0.212
  696   HD13  ILE  91          HD13      ILE  91   2.805  -2.100   0.035
  697    H    LYS  92           HN       LYS  92   1.957   1.468  -4.894
  698    HA   LYS  92           HA       LYS  92   1.172   3.897  -3.590
  699    HB2  LYS  92           HB2      LYS  92   2.049   5.450  -5.309
  700    HB3  LYS  92           HB1      LYS  92   3.314   4.698  -4.335
  701    HG2  LYS  92           HG2      LYS  92   3.980   4.862  -6.665
  702    HG3  LYS  92           HG1      LYS  92   3.817   3.168  -6.193
  703    HD2  LYS  92           HD2      LYS  92   1.795   2.933  -7.342
  704    HD3  LYS  92           HD1      LYS  92   1.588   4.672  -7.499
  705    HE2  LYS  92           HE2      LYS  92   3.658   2.966  -8.901
  706    HE3  LYS  92           HE1      LYS  92   2.188   3.642  -9.631
  707    HZ1  LYS  92           HZ1      LYS  92   3.217   5.880  -8.810
  708    HZ2  LYS  92           HZ2      LYS  92   3.770   5.171 -10.251
  709    HZ3  LYS  92           HZ3      LYS  92   4.681   5.011  -8.826
  710    H    GLN  93           HN       GLN  93  -0.252   5.272  -5.101
  711    HA   GLN  93           HA       GLN  93  -1.835   3.415  -6.693
  712    HB2  GLN  93           HB2      GLN  93  -3.488   5.107  -6.950
  713    HB3  GLN  93           HB1      GLN  93  -3.101   4.906  -5.236
  714    HG2  GLN  93           HG2      GLN  93  -1.729   6.890  -5.279
  715    HG3  GLN  93           HG1      GLN  93  -2.011   7.054  -7.011
  716   HE21  GLN  93          HE21      GLN  93  -2.872   8.269  -4.131
  717   HE22  GLN  93          HE22      GLN  93  -4.467   8.828  -4.500
  718    H    ILE  94           HN       ILE  94  -2.394   3.795  -8.776
  719    HA   ILE  94           HA       ILE  94  -0.243   5.070 -10.309
  720    HB   ILE  94           HB       ILE  94  -0.798   3.287 -11.961
  721   HG12  ILE  94          HG12      ILE  94  -2.467   2.342  -9.625
  722   HG13  ILE  94          HG11      ILE  94  -3.029   2.790 -11.233
  723   HG21  ILE  94          HG21      ILE  94   1.118   2.722 -10.880
  724   HG22  ILE  94          HG22      ILE  94   0.084   1.426 -10.277
  725   HG23  ILE  94          HG23      ILE  94   0.378   2.852  -9.283
  726   HD11  ILE  94          HD11      ILE  94  -2.101   0.283 -10.221
  727   HD12  ILE  94          HD12      ILE  94  -1.197   0.764 -11.659
  728   HD13  ILE  94          HD13      ILE  94  -2.957   0.643 -11.719
  Start of MODEL   23
    1    H    ASP   1           HT1      ASP   1  12.121   5.156  -7.721
    2    HA   ASP   1           HA       ASP   1  14.245   6.974  -8.644
    3    HB2  ASP   1           HB2      ASP   1  13.271   8.675  -7.078
    4    HB3  ASP   1           HB1      ASP   1  12.302   8.371  -8.512
    5    H    ASN   2           HN       ASN   2  12.813   4.893  -6.237
    6    HA   ASN   2           HA       ASN   2  14.820   5.541  -4.244
    7    HB2  ASN   2           HB2      ASN   2  12.476   4.961  -3.614
    8    HB3  ASN   2           HB1      ASN   2  12.737   3.340  -4.246
    9   HD21  ASN   2          HD21      ASN   2  12.627   5.100  -1.523
   10   HD22  ASN   2          HD22      ASN   2  13.632   4.137  -0.500
   11    H    GLN   3           HN       GLN   3  16.749   4.979  -5.304
   12    HA   GLN   3           HA       GLN   3  17.049   2.167  -6.065
   13    HB2  GLN   3           HB2      GLN   3  18.784   4.566  -6.661
   14    HB3  GLN   3           HB1      GLN   3  19.155   2.922  -7.161
   15    HG2  GLN   3           HG2      GLN   3  16.724   4.496  -7.988
   16    HG3  GLN   3           HG1      GLN   3  18.166   4.230  -8.967
   17   HE21  GLN   3          HE21      GLN   3  17.999   2.665 -10.390
   18   HE22  GLN   3          HE22      GLN   3  16.979   1.274 -10.270
   19    H    LYS   4           HN       LYS   4  17.788   4.203  -3.469
   20    HA   LYS   4           HA       LYS   4  20.190   2.685  -2.751
   21    HB2  LYS   4           HB2      LYS   4  18.948   5.101  -1.418
   22    HB3  LYS   4           HB1      LYS   4  20.468   4.350  -0.954
   23    HG2  LYS   4           HG2      LYS   4  19.897   5.648  -3.612
   24    HG3  LYS   4           HG1      LYS   4  20.785   6.385  -2.284
   25    HD2  LYS   4           HD2      LYS   4  21.636   3.823  -3.631
   26    HD3  LYS   4           HD1      LYS   4  22.182   5.415  -4.151
   27    HE2  LYS   4           HE2      LYS   4  23.875   4.461  -2.756
   28    HE3  LYS   4           HE1      LYS   4  23.115   5.779  -1.873
   29    HZ1  LYS   4           HZ1      LYS   4  23.572   3.680  -0.591
   30    HZ2  LYS   4           HZ2      LYS   4  22.331   2.943  -1.482
   31    HZ3  LYS   4           HZ3      LYS   4  21.985   4.274  -0.480
   32    H    ALA   5           HN       ALA   5  16.901   2.640  -2.242
   33    HA   ALA   5           HA       ALA   5  15.500   1.507  -0.898
   34    HB1  ALA   5           HB1      ALA   5  16.508  -0.524   0.294
   35    HB2  ALA   5           HB2      ALA   5  18.010  -0.088  -0.520
   36    HB3  ALA   5           HB3      ALA   5  16.576  -0.484  -1.468
   37    H    LEU   6           HN       LEU   6  16.681   3.871   0.178
   38    HA   LEU   6           HA       LEU   6  16.778   3.210   3.047
   39    HB2  LEU   6           HB2      LEU   6  18.798   4.307   2.126
   40    HB3  LEU   6           HB1      LEU   6  17.820   5.661   1.606
   41    HG   LEU   6           HG       LEU   6  18.134   4.896   4.516
   42   HD11  LEU   6          HD11      LEU   6  20.293   5.484   4.140
   43   HD12  LEU   6          HD12      LEU   6  19.614   7.104   4.296
   44   HD13  LEU   6          HD13      LEU   6  19.903   6.421   2.697
   45   HD21  LEU   6          HD21      LEU   6  17.744   7.645   4.182
   46   HD22  LEU   6          HD22      LEU   6  16.594   6.471   4.824
   47   HD23  LEU   6          HD23      LEU   6  16.583   6.868   3.105
   48    H    GLU   7           HN       GLU   7  15.438   5.405   0.630
   49    HA   GLU   7           HA       GLU   7  13.878   6.928   2.406
   50    HB2  GLU   7           HB2      GLU   7  13.454   6.468  -0.551
   51    HB3  GLU   7           HB1      GLU   7  12.675   7.715   0.404
   52    HG2  GLU   7           HG2      GLU   7  14.384   8.805  -0.730
   53    HG3  GLU   7           HG1      GLU   7  15.001   8.583   0.902
   54    H    GLU   8           HN       GLU   8  13.433   3.699   1.516
   55    HA   GLU   8           HA       GLU   8  10.578   3.855   1.413
   56    HB2  GLU   8           HB2      GLU   8  10.711   1.321   1.468
   57    HB3  GLU   8           HB1      GLU   8  11.404   2.141   0.079
   58    HG2  GLU   8           HG2      GLU   8  13.624   1.821   0.947
   59    HG3  GLU   8           HG1      GLU   8  12.973   1.117   2.428
   60    H    GLN   9           HN       GLN   9  12.866   3.686   3.916
   61    HA   GLN   9           HA       GLN   9  10.828   2.808   5.839
   62    HB2  GLN   9           HB2      GLN   9  13.685   3.684   6.358
   63    HB3  GLN   9           HB1      GLN   9  12.563   3.086   7.567
   64    HG2  GLN   9           HG2      GLN   9  14.081   1.340   7.050
   65    HG3  GLN   9           HG1      GLN   9  12.522   0.910   6.348
   66   HE21  GLN   9          HE21      GLN   9  12.716   0.016   4.434
   67   HE22  GLN   9          HE22      GLN   9  13.876   0.442   3.223
   68    H    MET  10           HN       MET  10  11.307   5.460   4.114
   69    HA   MET  10           HA       MET  10  11.027   7.326   6.373
   70    HB2  MET  10           HB2      MET  10  11.818   7.857   3.507
   71    HB3  MET  10           HB1      MET  10  11.622   9.099   4.736
   72    HG2  MET  10           HG2      MET  10  13.613   6.842   4.801
   73    HG3  MET  10           HG1      MET  10  13.961   8.529   4.423
   74    HE1  MET  10           HE1      MET  10  15.729   8.517   7.715
   75    HE2  MET  10           HE2      MET  10  15.831   8.136   5.996
   76    HE3  MET  10           HE3      MET  10  15.493   6.858   7.164
   77    H    ASN  11           HN       ASN  11   9.930   7.552   3.003
   78    HA   ASN  11           HA       ASN  11   7.312   8.418   4.018
   79    HB2  ASN  11           HB2      ASN  11   6.938   9.071   1.580
   80    HB3  ASN  11           HB1      ASN  11   8.032  10.090   2.535
   81   HD21  ASN  11          HD21      ASN  11   9.905  10.559   1.599
   82   HD22  ASN  11          HD22      ASN  11  10.638   9.693   0.294
   83    H    SER  12           HN       SER  12   8.902   6.238   1.888
   84    HA   SER  12           HA       SER  12   7.065   5.354   0.259
   85    HB2  SER  12           HB2      SER  12   9.322   4.482   0.313
   86    HB3  SER  12           HB1      SER  12   9.007   3.685   1.873
   87    HG   SER  12           HG       SER  12   7.819   3.059  -0.663
   88    H    ILE  13           HN       ILE  13   7.565   3.768   3.360
   89    HA   ILE  13           HA       ILE  13   5.103   2.286   3.127
   90    HB   ILE  13           HB       ILE  13   7.280   2.295   5.217
   91   HG12  ILE  13          HG12      ILE  13   6.796   0.522   2.825
   92   HG13  ILE  13          HG11      ILE  13   8.046   1.781   2.995
   93   HG21  ILE  13          HG21      ILE  13   6.278   0.549   6.283
   94   HG22  ILE  13          HG22      ILE  13   5.633  -0.122   4.786
   95   HG23  ILE  13          HG23      ILE  13   4.811   1.224   5.574
   96   HD11  ILE  13          HD11      ILE  13   8.465  -0.842   3.448
   97   HD12  ILE  13          HD12      ILE  13   8.017  -0.318   5.072
   98   HD13  ILE  13          HD13      ILE  13   9.373   0.445   4.241
   99    H    ASN  14           HN       ASN  14   5.976   5.235   4.322
  100    HA   ASN  14           HA       ASN  14   3.948   5.231   6.448
  101    HB2  ASN  14           HB2      ASN  14   5.948   7.356   5.667
  102    HB3  ASN  14           HB1      ASN  14   4.710   7.567   6.900
  103   HD21  ASN  14          HD21      ASN  14   5.458   7.327   8.863
  104   HD22  ASN  14          HD22      ASN  14   6.717   6.247   9.356
  105    H    SER  15           HN       SER  15   4.761   7.375   3.687
  106    HA   SER  15           HA       SER  15   2.246   8.634   3.691
  107    HB2  SER  15           HB2      SER  15   2.874   9.599   1.541
  108    HB3  SER  15           HB1      SER  15   4.211   9.696   2.689
  109    HG   SER  15           HG       SER  15   4.974   7.687   1.654
  110    H    VAL  16           HN       VAL  16   3.249   5.587   2.498
  111    HA   VAL  16           HA       VAL  16   1.453   5.146   0.383
  112    HB   VAL  16           HB       VAL  16   3.222   3.503   1.034
  113   HG11  VAL  16          HG11      VAL  16   2.659   1.883   2.856
  114   HG12  VAL  16          HG12      VAL  16   1.430   3.028   3.393
  115   HG13  VAL  16          HG13      VAL  16   3.131   3.494   3.391
  116   HG21  VAL  16          HG21      VAL  16   0.373   2.596   0.810
  117   HG22  VAL  16          HG22      VAL  16   1.692   1.434   0.942
  118   HG23  VAL  16          HG23      VAL  16   1.654   2.569  -0.407
  119    H    ASN  17           HN       ASN  17   1.077   5.130   3.847
  120    HA   ASN  17           HA       ASN  17  -1.573   4.070   3.828
  121    HB2  ASN  17           HB2      ASN  17  -0.053   5.520   6.004
  122    HB3  ASN  17           HB1      ASN  17  -1.553   4.614   6.222
  123   HD21  ASN  17          HD21      ASN  17   1.522   4.365   6.888
  124   HD22  ASN  17          HD22      ASN  17   1.799   2.680   6.641
  125    H    ASP  18           HN       ASP  18  -0.140   7.218   3.626
  126    HA   ASP  18           HA       ASP  18  -2.403   8.730   4.385
  127    HB2  ASP  18           HB2      ASP  18   0.004   9.352   2.667
  128    HB3  ASP  18           HB1      ASP  18  -1.199  10.544   3.092
  129    H    LYS  19           HN       LYS  19  -1.806   6.911   1.542
  130    HA   LYS  19           HA       LYS  19  -3.787   8.439  -0.027
  131    HB2  LYS  19           HB2      LYS  19  -2.297   5.921  -0.768
  132    HB3  LYS  19           HB1      LYS  19  -3.488   6.717  -1.779
  133    HG2  LYS  19           HG2      LYS  19  -1.401   7.351  -2.636
  134    HG3  LYS  19           HG1      LYS  19  -2.019   8.763  -1.764
  135    HD2  LYS  19           HD2      LYS  19   0.276   8.577  -1.244
  136    HD3  LYS  19           HD1      LYS  19  -0.603   7.998   0.174
  137    HE2  LYS  19           HE2      LYS  19   1.263   6.531  -0.311
  138    HE3  LYS  19           HE1      LYS  19  -0.265   5.688  -0.558
  139    HZ1  LYS  19           HZ1      LYS  19   0.839   5.100  -2.446
  140    HZ2  LYS  19           HZ2      LYS  19   1.745   6.531  -2.521
  141    HZ3  LYS  19           HZ3      LYS  19   0.116   6.527  -3.014
  142    H    LEU  20           HN       LEU  20  -3.277   5.642   1.821
  143    HA   LEU  20           HA       LEU  20  -5.591   4.269   0.936
  144    HB2  LEU  20           HB2      LEU  20  -3.748   3.848   3.280
  145    HB3  LEU  20           HB1      LEU  20  -4.912   2.666   2.690
  146    HG   LEU  20           HG       LEU  20  -2.578   3.716   1.080
  147   HD11  LEU  20          HD11      LEU  20  -2.405   2.006   3.198
  148   HD12  LEU  20          HD12      LEU  20  -1.277   2.077   1.844
  149   HD13  LEU  20          HD13      LEU  20  -2.591   0.900   1.839
  150   HD21  LEU  20          HD21      LEU  20  -4.483   3.011  -0.278
  151   HD22  LEU  20          HD22      LEU  20  -4.497   1.453   0.548
  152   HD23  LEU  20          HD23      LEU  20  -3.120   1.905  -0.457
  153    H    ASN  21           HN       ASN  21  -4.583   6.096   3.715
  154    HA   ASN  21           HA       ASN  21  -6.974   5.779   5.236
  155    HB2  ASN  21           HB2      ASN  21  -4.450   7.389   5.484
  156    HB3  ASN  21           HB1      ASN  21  -5.797   7.721   6.568
  157   HD21  ASN  21          HD21      ASN  21  -2.976   6.147   6.343
  158   HD22  ASN  21          HD22      ASN  21  -3.262   4.834   7.452
  159    H    LYS  22           HN       LYS  22  -8.753   6.647   3.942
  160    HA   LYS  22           HA       LYS  22  -8.342   9.518   3.331
  161    HB2  LYS  22           HB2      LYS  22  -9.836   7.520   1.645
  162    HB3  LYS  22           HB1      LYS  22  -9.703   9.253   1.306
  163    HG2  LYS  22           HG2      LYS  22  -7.220   8.963   1.257
  164    HG3  LYS  22           HG1      LYS  22  -7.478   7.225   1.377
  165    HD2  LYS  22           HD2      LYS  22  -7.178   7.623  -0.904
  166    HD3  LYS  22           HD1      LYS  22  -8.916   7.456  -0.710
  167    HE2  LYS  22           HE2      LYS  22  -7.385  10.045  -0.941
  168    HE3  LYS  22           HE1      LYS  22  -8.361   9.304  -2.205
  169    HZ1  LYS  22           HZ1      LYS  22 -10.250   9.520  -0.480
  170    HZ2  LYS  22           HZ2      LYS  22  -9.752  10.898  -1.334
  171    HZ3  LYS  22           HZ3      LYS  22  -9.233  10.660   0.264
  172    H    GLY  23           HN       GLY  23 -10.989   7.229   4.112
  173    HA2  GLY  23           HA2      GLY  23 -12.354   9.044   5.689
  174    HA3  GLY  23           HA1      GLY  23 -12.936   9.233   4.030
  175    H    LYS  24           HN       LYS  24 -13.660   7.131   2.958
  176    HA   LYS  24           HA       LYS  24 -15.753   5.951   4.417
  177    HB2  LYS  24           HB2      LYS  24 -15.056   5.853   1.775
  178    HB3  LYS  24           HB1      LYS  24 -14.397   4.314   2.318
  179    HG2  LYS  24           HG2      LYS  24 -16.589   3.998   1.382
  180    HG3  LYS  24           HG1      LYS  24 -16.582   3.607   3.105
  181    HD2  LYS  24           HD2      LYS  24 -17.668   5.672   3.647
  182    HD3  LYS  24           HD1      LYS  24 -17.471   6.275   2.000
  183    HE2  LYS  24           HE2      LYS  24 -19.767   5.525   2.443
  184    HE3  LYS  24           HE1      LYS  24 -18.996   4.585   1.165
  185    HZ1  LYS  24           HZ1      LYS  24 -19.881   3.764   3.815
  186    HZ2  LYS  24           HZ2      LYS  24 -18.415   3.096   3.287
  187    HZ3  LYS  24           HZ3      LYS  24 -19.817   2.878   2.364
  188    H    GLY  25           HN       GLY  25 -12.825   4.425   3.236
  189    HA2  GLY  25           HA2      GLY  25 -12.351   3.242   5.831
  190    HA3  GLY  25           HA1      GLY  25 -12.363   2.174   4.448
  191    H    LYS  26           HN       LYS  26 -10.142   2.220   5.806
  192    HA   LYS  26           HA       LYS  26  -8.262   3.772   4.182
  193    HB2  LYS  26           HB2      LYS  26  -7.195   4.230   6.487
  194    HB3  LYS  26           HB1      LYS  26  -8.557   5.216   5.939
  195    HG2  LYS  26           HG2      LYS  26 -10.025   3.585   7.095
  196    HG3  LYS  26           HG1      LYS  26  -8.575   2.904   7.850
  197    HD2  LYS  26           HD2      LYS  26  -9.660   4.569   9.311
  198    HD3  LYS  26           HD1      LYS  26  -8.053   5.110   8.797
  199    HE2  LYS  26           HE2      LYS  26  -8.993   6.534   7.124
  200    HE3  LYS  26           HE1      LYS  26 -10.611   5.885   7.404
  201    HZ1  LYS  26           HZ1      LYS  26 -10.747   7.760   8.648
  202    HZ2  LYS  26           HZ2      LYS  26  -9.071   7.846   8.934
  203    HZ3  LYS  26           HZ3      LYS  26 -10.035   6.774   9.834
  204    H    LEU  27           HN       LEU  27  -5.996   3.087   4.526
  205    HA   LEU  27           HA       LEU  27  -5.782   0.399   5.649
  206    HB2  LEU  27           HB2      LEU  27  -6.105  -0.033   3.413
  207    HB3  LEU  27           HB1      LEU  27  -5.000   1.258   2.897
  208    HG   LEU  27           HG       LEU  27  -3.112  -0.029   3.759
  209   HD11  LEU  27          HD11      LEU  27  -3.491  -1.586   5.310
  210   HD12  LEU  27          HD12      LEU  27  -4.082  -2.621   4.013
  211   HD13  LEU  27          HD13      LEU  27  -5.214  -1.634   4.940
  212   HD21  LEU  27          HD21      LEU  27  -2.979  -1.567   1.982
  213   HD22  LEU  27          HD22      LEU  27  -4.043  -0.283   1.407
  214   HD23  LEU  27          HD23      LEU  27  -4.725  -1.814   1.956
  215    H    SER  28           HN       SER  28  -3.827  -0.165   6.495
  216    HA   SER  28           HA       SER  28  -1.703   1.865   6.592
  217    HB2  SER  28           HB2      SER  28  -3.129   1.931   8.677
  218    HB3  SER  28           HB1      SER  28  -2.714   0.229   8.935
  219    HG   SER  28           HG       SER  28  -0.718   0.756   9.486
  220    H    LEU  29           HN       LEU  29   0.354   1.023   6.541
  221    HA   LEU  29           HA       LEU  29   0.589  -1.897   6.744
  222    HB2  LEU  29           HB2      LEU  29   2.165  -0.270   4.769
  223    HB3  LEU  29           HB1      LEU  29   2.014  -2.041   4.889
  224    HG   LEU  29           HG       LEU  29  -0.323  -0.265   4.225
  225   HD11  LEU  29          HD11      LEU  29   1.949  -1.011   2.571
  226   HD12  LEU  29          HD12      LEU  29   0.632   0.112   2.231
  227   HD13  LEU  29          HD13      LEU  29   0.427  -1.610   1.913
  228   HD21  LEU  29          HD21      LEU  29  -0.625  -2.735   3.051
  229   HD22  LEU  29          HD22      LEU  29  -1.384  -2.192   4.547
  230   HD23  LEU  29          HD23      LEU  29   0.122  -3.108   4.604
  231    H    SER  30           HN       SER  30   2.203  -2.508   8.059
  232    HA   SER  30           HA       SER  30   4.386  -0.625   8.610
  233    HB2  SER  30           HB2      SER  30   2.852  -2.178  10.717
  234    HB3  SER  30           HB1      SER  30   4.280  -1.186  11.013
  235    HG   SER  30           HG       SER  30   3.122   0.589  10.811
  236    H    MET  31           HN       MET  31   6.142  -1.883   9.962
  237    HA   MET  31           HA       MET  31   6.174  -4.705   9.190
  238    HB2  MET  31           HB2      MET  31   8.514  -4.582   8.437
  239    HB3  MET  31           HB1      MET  31   7.403  -3.666   7.391
  240    HG2  MET  31           HG2      MET  31   8.118  -1.589   8.462
  241    HG3  MET  31           HG1      MET  31   9.220  -2.496   9.498
  242    HE1  MET  31           HE1      MET  31  11.696  -1.060   8.344
  243    HE2  MET  31           HE2      MET  31  10.146  -0.218   8.297
  244    HE3  MET  31           HE3      MET  31  11.147  -0.303   6.848
  245    H    ASN  32           HN       ASN  32   6.593  -5.888  10.775
  246    HA   ASN  32           HA       ASN  32   7.991  -4.883  13.145
  247    HB2  ASN  32           HB2      ASN  32   5.829  -6.156  13.417
  248    HB3  ASN  32           HB1      ASN  32   6.623  -7.560  12.682
  249   HD21  ASN  32          HD21      ASN  32   5.801  -6.159  15.538
  250   HD22  ASN  32          HD22      ASN  32   6.935  -6.964  16.585
  251    H    GLY  33           HN       GLY  33  10.072  -4.791  12.234
  252    HA2  GLY  33           HA2      GLY  33  12.194  -5.724  11.817
  253    HA3  GLY  33           HA1      GLY  33  11.464  -7.344  11.932
  254    H    ASN  34           HN       ASN  34  10.873  -8.373  10.108
  255    HA   ASN  34           HA       ASN  34  10.867  -6.827   7.598
  256    HB2  ASN  34           HB2      ASN  34  11.817  -9.677   7.986
  257    HB3  ASN  34           HB1      ASN  34  11.649  -8.872   6.429
  258   HD21  ASN  34          HD21      ASN  34  13.819  -9.768   8.649
  259   HD22  ASN  34          HD22      ASN  34  15.045  -8.557   8.389
  260    H    GLN  35           HN       GLN  35   8.737  -7.406   9.442
  261    HA   GLN  35           HA       GLN  35   7.090  -9.339   7.955
  262    HB2  GLN  35           HB2      GLN  35   7.505  -9.774  10.367
  263    HB3  GLN  35           HB1      GLN  35   6.753  -8.223  10.731
  264    HG2  GLN  35           HG2      GLN  35   4.643  -9.031   9.794
  265    HG3  GLN  35           HG1      GLN  35   5.396 -10.585   9.444
  266   HE21  GLN  35          HE21      GLN  35   6.771  -9.538  12.220
  267   HE22  GLN  35          HE22      GLN  35   5.724 -10.310  13.376
  268    H    LEU  36           HN       LEU  36   5.614  -8.461   6.642
  269    HA   LEU  36           HA       LEU  36   4.846  -5.697   6.910
  270    HB2  LEU  36           HB2      LEU  36   5.239  -6.611   4.756
  271    HB3  LEU  36           HB1      LEU  36   4.039  -7.884   4.996
  272    HG   LEU  36           HG       LEU  36   3.365  -6.067   3.412
  273   HD11  LEU  36          HD11      LEU  36   1.112  -5.631   4.482
  274   HD12  LEU  36          HD12      LEU  36   1.704  -6.546   5.867
  275   HD13  LEU  36          HD13      LEU  36   1.582  -7.320   4.287
  276   HD21  LEU  36          HD21      LEU  36   3.416  -4.369   5.896
  277   HD22  LEU  36          HD22      LEU  36   2.587  -3.925   4.404
  278   HD23  LEU  36          HD23      LEU  36   4.340  -4.138   4.411
  279    H    LYS  37           HN       LYS  37   3.038  -4.880   7.665
  280    HA   LYS  37           HA       LYS  37   1.008  -6.714   8.746
  281    HB2  LYS  37           HB2      LYS  37   2.151  -4.274  10.145
  282    HB3  LYS  37           HB1      LYS  37   1.062  -5.490  10.840
  283    HG2  LYS  37           HG2      LYS  37   3.882  -6.044   9.894
  284    HG3  LYS  37           HG1      LYS  37   3.448  -5.671  11.576
  285    HD2  LYS  37           HD2      LYS  37   2.470  -8.029   9.966
  286    HD3  LYS  37           HD1      LYS  37   3.724  -8.082  11.190
  287    HE2  LYS  37           HE2      LYS  37   0.817  -7.402  11.643
  288    HE3  LYS  37           HE1      LYS  37   1.622  -8.904  12.078
  289    HZ1  LYS  37           HZ1      LYS  37   2.677  -6.367  13.131
  290    HZ2  LYS  37           HZ2      LYS  37   2.749  -7.929  13.796
  291    HZ3  LYS  37           HZ3      LYS  37   1.295  -7.051  13.843
  292    H    ALA  38           HN       ALA  38  -0.633  -6.195   7.394
  293    HA   ALA  38           HA       ALA  38  -1.224  -3.387   6.855
  294    HB1  ALA  38           HB1      ALA  38  -1.439  -5.798   5.383
  295    HB2  ALA  38           HB2      ALA  38  -1.781  -4.149   4.855
  296    HB3  ALA  38           HB3      ALA  38  -3.061  -5.128   5.577
  297    H    THR  39           HN       THR  39  -3.033  -2.398   7.376
  298    HA   THR  39           HA       THR  39  -5.175  -3.825   8.724
  299    HB   THR  39           HB       THR  39  -5.175  -1.922  10.464
  300    HG1  THR  39           HG1      THR  39  -2.571  -1.702   9.397
  301   HG21  THR  39          HG21      THR  39  -4.604  -3.668  11.712
  302   HG22  THR  39          HG22      THR  39  -2.938  -3.127  11.507
  303   HG23  THR  39          HG23      THR  39  -3.602  -4.361  10.435
  304    H    SER  40           HN       SER  40  -7.110  -3.055   8.173
  305    HA   SER  40           HA       SER  40  -7.255  -0.375   6.911
  306    HB2  SER  40           HB2      SER  40  -8.089  -2.072   5.385
  307    HB3  SER  40           HB1      SER  40  -9.146  -2.719   6.632
  308    HG   SER  40           HG       SER  40  -9.287  -0.062   5.666
  309    H    SER  41           HN       SER  41  -8.230   1.091   8.102
  310    HA   SER  41           HA       SER  41  -9.356   0.177  10.637
  311    HB2  SER  41           HB2      SER  41  -7.702   2.000  10.732
  312    HB3  SER  41           HB1      SER  41  -8.731   2.994   9.702
  313    HG   SER  41           HG       SER  41  -8.902   3.392  12.025
  314    H    ASN  42           HN       ASN  42 -11.408   0.567  11.294
  315    HA   ASN  42           HA       ASN  42 -13.672   0.915  11.081
  316    HB2  ASN  42           HB2      ASN  42 -13.660   2.937   9.942
  317    HB3  ASN  42           HB1      ASN  42 -12.793   2.241   8.528
  318   HD21  ASN  42          HD21      ASN  42 -13.917   2.055   6.864
  319   HD22  ASN  42          HD22      ASN  42 -15.647   1.788   6.772
  320    H    ALA  43           HN       ALA  43 -11.581  -0.791   9.096
  321    HA   ALA  43           HA       ALA  43 -11.587  -2.894   8.280
  322    HB1  ALA  43           HB1      ALA  43 -12.063  -3.462  10.499
  323    HB2  ALA  43           HB2      ALA  43 -13.123  -4.458   9.500
  324    HB3  ALA  43           HB3      ALA  43 -13.768  -3.040  10.327
  325    H    GLY  44           HN       GLY  44 -12.565  -1.760   6.154
  326    HA2  GLY  44           HA2      GLY  44 -13.399  -3.272   4.446
  327    HA3  GLY  44           HA1      GLY  44 -14.800  -3.574   5.511
  328    H    TYR  45           HN       TYR  45 -13.464  -0.407   4.729
  329    HA   TYR  45           HA       TYR  45 -15.762   0.046   2.969
  330    HB2  TYR  45           HB2      TYR  45 -14.635   1.881   5.078
  331    HB3  TYR  45           HB1      TYR  45 -15.550   2.509   3.698
  332    HD1  TYR  45           HD1      TYR  45 -17.361   3.443   5.038
  333    HD2  TYR  45           HD2      TYR  45 -16.369  -0.686   5.399
  334    HE1  TYR  45           HE1      TYR  45 -19.433   3.049   6.281
  335    HE2  TYR  45           HE2      TYR  45 -18.438  -1.077   6.652
  336    HH   TYR  45           HH       TYR  45 -20.093   0.026   7.879
  337    H    GLY  46           HN       GLY  46 -15.334   1.782   1.369
  338    HA2  GLY  46           HA2      GLY  46 -12.603   1.454   0.371
  339    HA3  GLY  46           HA1      GLY  46 -14.000   1.847  -0.600
  340    H    ILE  47           HN       ILE  47 -12.961   3.643  -1.554
  341    HA   ILE  47           HA       ILE  47 -11.431   5.546  -0.169
  342    HB   ILE  47           HB       ILE  47 -13.170   6.359  -2.446
  343   HG12  ILE  47          HG12      ILE  47 -11.211   5.624  -3.957
  344   HG13  ILE  47          HG11      ILE  47 -10.941   4.459  -2.653
  345   HG21  ILE  47          HG21      ILE  47 -10.290   7.007  -2.225
  346   HG22  ILE  47          HG22      ILE  47 -11.442   7.806  -1.150
  347   HG23  ILE  47          HG23      ILE  47 -11.608   7.966  -2.900
  348   HD11  ILE  47          HD11      ILE  47 -12.917   4.444  -4.738
  349   HD12  ILE  47          HD12      ILE  47 -13.663   4.337  -3.144
  350   HD13  ILE  47          HD13      ILE  47 -12.440   3.162  -3.625
  351    H    SER  48           HN       SER  48 -14.589   5.720  -1.511
  352    HA   SER  48           HA       SER  48 -16.276   6.560   0.441
  353    HB2  SER  48           HB2      SER  48 -14.916   8.912  -0.903
  354    HB3  SER  48           HB1      SER  48 -16.528   9.035  -0.169
  355    HG   SER  48           HG       SER  48 -14.053   8.429   1.096
  356    H    TYR  49           HN       TYR  49 -16.564   8.787  -2.080
  357    HA   TYR  49           HA       TYR  49 -17.753   6.764  -3.849
  358    HB2  TYR  49           HB2      TYR  49 -18.602   9.632  -3.483
  359    HB3  TYR  49           HB1      TYR  49 -18.942   8.733  -4.963
  360    HD1  TYR  49           HD1      TYR  49 -19.080   7.821  -1.329
  361    HD2  TYR  49           HD2      TYR  49 -21.325   8.192  -4.956
  362    HE1  TYR  49           HE1      TYR  49 -21.058   6.897  -0.215
  363    HE2  TYR  49           HE2      TYR  49 -23.281   7.270  -3.830
  364    HH   TYR  49           HH       TYR  49 -24.135   7.121  -1.424
  365    H    GLU  50           HN       GLU  50 -15.514   6.490  -4.437
  366    HA   GLU  50           HA       GLU  50 -14.779   8.275  -6.611
  367    HB2  GLU  50           HB2      GLU  50 -12.956   7.621  -4.283
  368    HB3  GLU  50           HB1      GLU  50 -12.387   8.306  -5.794
  369    HG2  GLU  50           HG2      GLU  50 -13.777  10.276  -5.425
  370    HG3  GLU  50           HG1      GLU  50 -14.353   9.583  -3.902
  371    H    ASP  51           HN       ASP  51 -12.623   7.264  -7.649
  372    HA   ASP  51           HA       ASP  51 -12.584   4.397  -7.308
  373    HB2  ASP  51           HB2      ASP  51 -12.931   3.841  -9.616
  374    HB3  ASP  51           HB1      ASP  51 -14.282   4.779  -8.986
  375    H    LYS  52           HN       LYS  52 -10.695   3.558  -7.388
  376    HA   LYS  52           HA       LYS  52  -8.415   5.076  -8.383
  377    HB2  LYS  52           HB2      LYS  52  -8.950   3.976  -5.651
  378    HB3  LYS  52           HB1      LYS  52  -7.319   4.225  -6.227
  379    HG2  LYS  52           HG2      LYS  52  -7.993   6.051  -4.842
  380    HG3  LYS  52           HG1      LYS  52  -7.767   6.581  -6.500
  381    HD2  LYS  52           HD2      LYS  52 -10.083   6.787  -6.866
  382    HD3  LYS  52           HD1      LYS  52 -10.483   5.934  -5.368
  383    HE2  LYS  52           HE2      LYS  52 -10.734   8.405  -5.203
  384    HE3  LYS  52           HE1      LYS  52  -9.560   7.751  -4.059
  385    HZ1  LYS  52           HZ1      LYS  52  -8.544   9.629  -4.965
  386    HZ2  LYS  52           HZ2      LYS  52  -9.043   9.275  -6.549
  387    HZ3  LYS  52           HZ3      LYS  52  -7.841   8.339  -5.808
  388    H    ASN  53           HN       ASN  53  -6.823   3.864  -9.265
  389    HA   ASN  53           HA       ASN  53  -7.025   0.946  -8.901
  390    HB2  ASN  53           HB2      ASN  53  -5.906   2.477 -11.264
  391    HB3  ASN  53           HB1      ASN  53  -5.743   0.727 -11.036
  392   HD21  ASN  53          HD21      ASN  53  -8.724   1.682  -9.810
  393   HD22  ASN  53          HD22      ASN  53  -9.672   1.302 -11.224
  394    H    TRP  54           HN       TRP  54  -5.301  -0.033  -7.992
  395    HA   TRP  54           HA       TRP  54  -3.017   1.719  -7.417
  396    HB2  TRP  54           HB2      TRP  54  -4.682   0.045  -5.693
  397    HB3  TRP  54           HB1      TRP  54  -2.934  -0.207  -5.463
  398    HD1  TRP  54           HD1      TRP  54  -5.292   2.882  -5.699
  399    HE1  TRP  54           HE1      TRP  54  -4.390   4.630  -4.028
  400    HE3  TRP  54           HE3      TRP  54  -1.313   0.282  -3.985
  401    HZ2  TRP  54           HZ2      TRP  54  -2.156   4.817  -2.272
  402    HZ3  TRP  54           HZ3      TRP  54   0.137   1.312  -2.319
  403    HH2  TRP  54           HH2      TRP  54  -0.290   3.525  -1.461
  404    H    GLY  55           HN       GLY  55  -0.986   0.838  -7.048
  405    HA2  GLY  55           HA2      GLY  55  -0.619  -1.941  -7.798
  406    HA3  GLY  55           HA1      GLY  55   0.282  -0.760  -8.752
  407    H    ILE  56           HN       ILE  56   1.333  -2.757  -7.304
  408    HA   ILE  56           HA       ILE  56   3.006  -1.424  -5.237
  409    HB   ILE  56           HB       ILE  56   1.982  -4.300  -5.348
  410   HG12  ILE  56          HG12      ILE  56   1.507  -2.212  -3.217
  411   HG13  ILE  56          HG11      ILE  56   0.372  -2.497  -4.556
  412   HG21  ILE  56          HG21      ILE  56   4.025  -4.634  -4.392
  413   HG22  ILE  56          HG22      ILE  56   3.085  -4.219  -2.959
  414   HG23  ILE  56          HG23      ILE  56   4.106  -3.002  -3.726
  415   HD11  ILE  56          HD11      ILE  56   1.239  -4.771  -2.823
  416   HD12  ILE  56          HD12      ILE  56  -0.261  -4.540  -3.720
  417   HD13  ILE  56          HD13      ILE  56   0.027  -3.632  -2.236
  418    H    PHE  57           HN       PHE  57   4.795  -1.062  -6.462
  419    HA   PHE  57           HA       PHE  57   5.431  -2.999  -8.531
  420    HB2  PHE  57           HB2      PHE  57   6.571  -0.214  -8.178
  421    HB3  PHE  57           HB1      PHE  57   6.706  -1.247  -9.614
  422    HD1  PHE  57           HD1      PHE  57   4.198   0.552  -7.500
  423    HD2  PHE  57           HD2      PHE  57   5.130  -1.091 -11.315
  424    HE1  PHE  57           HE1      PHE  57   2.143   1.486  -8.387
  425    HE2  PHE  57           HE2      PHE  57   3.062  -0.113 -12.221
  426    HZ   PHE  57           HZ       PHE  57   1.576   1.183 -10.740
  427    H    VAL  58           HN       VAL  58   6.763  -4.538  -7.951
  428    HA   VAL  58           HA       VAL  58   9.068  -3.979  -6.243
  429    HB   VAL  58           HB       VAL  58   8.124  -6.592  -7.441
  430   HG11  VAL  58          HG11      VAL  58   9.758  -7.702  -6.190
  431   HG12  VAL  58          HG12      VAL  58  10.114  -6.267  -5.224
  432   HG13  VAL  58          HG13      VAL  58  10.601  -6.336  -6.920
  433   HG21  VAL  58          HG21      VAL  58   7.043  -7.082  -5.475
  434   HG22  VAL  58          HG22      VAL  58   6.776  -5.340  -5.565
  435   HG23  VAL  58          HG23      VAL  58   8.050  -5.986  -4.526
  436    H    ASN  59           HN       ASN  59  10.768  -3.155  -7.239
  437    HA   ASN  59           HA       ASN  59  12.358  -2.666  -8.784
  438    HB2  ASN  59           HB2      ASN  59  11.941  -5.586  -9.473
  439    HB3  ASN  59           HB1      ASN  59  13.269  -4.587 -10.107
  440   HD21  ASN  59          HD21      ASN  59  15.091  -4.932  -9.084
  441   HD22  ASN  59          HD22      ASN  59  15.276  -5.300  -7.407
  442    H    GLY  60           HN       GLY  60   9.915  -1.767  -9.534
  443    HA2  GLY  60           HA2      GLY  60   8.905  -0.831 -11.354
  444    HA3  GLY  60           HA1      GLY  60  10.255  -1.450 -12.325
  445    H    GLU  61           HN       GLU  61   7.735  -3.041 -10.410
  446    HA   GLU  61           HA       GLU  61   6.426  -4.039 -12.778
  447    HB2  GLU  61           HB2      GLU  61   8.240  -5.681 -12.513
  448    HB3  GLU  61           HB1      GLU  61   7.737  -5.971 -10.849
  449    HG2  GLU  61           HG2      GLU  61   5.612  -6.857 -11.624
  450    HG3  GLU  61           HG1      GLU  61   6.072  -6.527 -13.300
  451    H    LYS  62           HN       LYS  62   4.332  -3.855 -12.368
  452    HA   LYS  62           HA       LYS  62   3.334  -3.526  -9.705
  453    HB2  LYS  62           HB2      LYS  62   2.386  -2.318 -11.641
  454    HB3  LYS  62           HB1      LYS  62   1.845  -3.866 -12.327
  455    HG2  LYS  62           HG2      LYS  62   0.324  -4.187 -10.459
  456    HG3  LYS  62           HG1      LYS  62   0.907  -2.677  -9.708
  457    HD2  LYS  62           HD2      LYS  62  -1.204  -2.299 -10.865
  458    HD3  LYS  62           HD1      LYS  62   0.102  -1.420 -11.665
  459    HE2  LYS  62           HE2      LYS  62   0.262  -3.244 -13.327
  460    HE3  LYS  62           HE1      LYS  62  -1.096  -4.047 -12.541
  461    HZ1  LYS  62           HZ1      LYS  62  -2.542  -2.270 -13.147
  462    HZ2  LYS  62           HZ2      LYS  62  -1.683  -2.719 -14.540
  463    HZ3  LYS  62           HZ3      LYS  62  -1.250  -1.311 -13.699
  464    H    VAL  63           HN       VAL  63   3.239  -5.237  -8.391
  465    HA   VAL  63           HA       VAL  63   2.784  -7.879  -9.489
  466    HB   VAL  63           HB       VAL  63   3.395  -8.734  -7.348
  467   HG11  VAL  63          HG11      VAL  63   5.249  -6.510  -8.168
  468   HG12  VAL  63          HG12      VAL  63   5.159  -8.102  -8.921
  469   HG13  VAL  63          HG13      VAL  63   5.688  -7.949  -7.246
  470   HG21  VAL  63          HG21      VAL  63   3.665  -7.535  -5.401
  471   HG22  VAL  63          HG22      VAL  63   2.323  -6.664  -6.143
  472   HG23  VAL  63          HG23      VAL  63   3.962  -6.019  -6.252
  473    H    TYR  64           HN       TYR  64   1.050  -5.553  -7.530
  474    HA   TYR  64           HA       TYR  64  -1.277  -7.315  -7.661
  475    HB2  TYR  64           HB2      TYR  64  -0.252  -7.632  -5.416
  476    HB3  TYR  64           HB1      TYR  64  -0.443  -5.889  -5.126
  477    HD1  TYR  64           HD1      TYR  64  -2.831  -8.257  -6.733
  478    HD2  TYR  64           HD2      TYR  64  -2.015  -5.801  -3.353
  479    HE1  TYR  64           HE1      TYR  64  -5.103  -8.650  -5.898
  480    HE2  TYR  64           HE2      TYR  64  -4.286  -6.193  -2.516
  481    HH   TYR  64           HH       TYR  64  -6.083  -8.260  -2.935
  482    H    THR  65           HN       THR  65  -3.128  -6.279  -8.141
  483    HA   THR  65           HA       THR  65  -3.099  -3.353  -8.102
  484    HB   THR  65           HB       THR  65  -4.570  -5.082  -9.974
  485    HG1  THR  65           HG1      THR  65  -2.252  -5.035 -10.291
  486   HG21  THR  65          HG21      THR  65  -4.393  -2.136  -9.702
  487   HG22  THR  65          HG22      THR  65  -5.810  -3.144 -10.000
  488   HG23  THR  65          HG23      THR  65  -4.642  -2.860 -11.291
  489    H    PHE  66           HN       PHE  66  -4.244  -2.781  -6.335
  490    HA   PHE  66           HA       PHE  66  -6.905  -4.031  -6.044
  491    HB2  PHE  66           HB2      PHE  66  -6.925  -3.476  -3.697
  492    HB3  PHE  66           HB1      PHE  66  -5.499  -4.489  -4.085
  493    HD1  PHE  66           HD1      PHE  66  -3.390  -3.814  -3.373
  494    HD2  PHE  66           HD2      PHE  66  -6.537  -0.946  -3.484
  495    HE1  PHE  66           HE1      PHE  66  -1.971  -2.210  -2.161
  496    HE2  PHE  66           HE2      PHE  66  -5.116   0.665  -2.289
  497    HZ   PHE  66           HZ       PHE  66  -2.821   0.047  -1.629
  498    H    ASN  67           HN       ASN  67  -8.624  -2.623  -5.542
  499    HA   ASN  67           HA       ASN  67  -8.079   0.148  -6.378
  500    HB2  ASN  67           HB2      ASN  67 -10.705  -1.381  -6.496
  501    HB3  ASN  67           HB1      ASN  67 -10.429   0.265  -7.081
  502   HD21  ASN  67          HD21      ASN  67 -10.876  -2.756  -8.076
  503   HD22  ASN  67          HD22      ASN  67  -9.970  -2.744  -9.549
  504    H    GLU  68           HN       GLU  68  -8.943   1.831  -4.985
  505    HA   GLU  68           HA       GLU  68  -9.299   0.986  -2.280
  506    HB2  GLU  68           HB2      GLU  68 -10.063   3.739  -3.276
  507    HB3  GLU  68           HB1      GLU  68  -9.486   3.251  -1.697
  508    HG2  GLU  68           HG2      GLU  68  -7.267   2.828  -2.538
  509    HG3  GLU  68           HG1      GLU  68  -7.817   3.221  -4.185
  510    H    LYS  69           HN       LYS  69 -11.199   1.310  -5.007
  511    HA   LYS  69           HA       LYS  69 -13.829   1.648  -3.997
  512    HB2  LYS  69           HB2      LYS  69 -12.909  -0.130  -6.266
  513    HB3  LYS  69           HB1      LYS  69 -14.528   0.558  -6.041
  514    HG2  LYS  69           HG2      LYS  69 -13.680   2.781  -6.398
  515    HG3  LYS  69           HG1      LYS  69 -12.028   2.143  -6.587
  516    HD2  LYS  69           HD2      LYS  69 -12.916   2.536  -8.779
  517    HD3  LYS  69           HD1      LYS  69 -12.861   0.794  -8.530
  518    HE2  LYS  69           HE2      LYS  69 -15.324   2.522  -8.234
  519    HE3  LYS  69           HE1      LYS  69 -14.930   1.559  -9.654
  520    HZ1  LYS  69           HZ1      LYS  69 -14.859  -0.368  -7.921
  521    HZ2  LYS  69           HZ2      LYS  69 -16.349   0.178  -8.531
  522    HZ3  LYS  69           HZ3      LYS  69 -15.831   0.681  -6.995
  523    H    SER  70           HN       SER  70 -11.681  -1.043  -4.542
  524    HA   SER  70           HA       SER  70 -13.367  -2.988  -3.320
  525    HB2  SER  70           HB2      SER  70 -11.607  -3.575  -5.014
  526    HB3  SER  70           HB1      SER  70 -10.383  -3.141  -3.783
  527    HG   SER  70           HG       SER  70 -11.020  -5.439  -3.957
  528    H    THR  71           HN       THR  71 -13.878  -2.420  -1.363
  529    HA   THR  71           HA       THR  71 -13.009  -0.778   0.444
  530    HB   THR  71           HB       THR  71 -13.748  -2.313   2.206
  531    HG1  THR  71           HG1      THR  71 -12.850  -4.175   0.768
  532   HG21  THR  71          HG21      THR  71 -15.871  -1.937   1.666
  533   HG22  THR  71          HG22      THR  71 -15.779  -3.033   0.287
  534   HG23  THR  71          HG23      THR  71 -15.287  -1.348   0.109
  535    H    VAL  72           HN       VAL  72 -11.060  -0.299   1.362
  536    HA   VAL  72           HA       VAL  72  -8.807  -1.754   1.104
  537    HB   VAL  72           HB       VAL  72  -8.372  -0.229   3.441
  538   HG11  VAL  72          HG11      VAL  72  -7.194   1.192   1.644
  539   HG12  VAL  72          HG12      VAL  72  -7.739  -0.040   0.507
  540   HG13  VAL  72          HG13      VAL  72  -6.689  -0.484   1.858
  541   HG21  VAL  72          HG21      VAL  72  -9.727   1.410   1.266
  542   HG22  VAL  72          HG22      VAL  72  -9.223   1.926   2.882
  543   HG23  VAL  72          HG23      VAL  72 -10.611   0.855   2.702
  544    H    GLY  73           HN       GLY  73 -11.341  -2.430   3.102
  545    HA2  GLY  73           HA2      GLY  73 -10.010  -3.796   5.229
  546    HA3  GLY  73           HA1      GLY  73 -11.681  -3.951   4.730
  547    H    ASN  74           HN       ASN  74 -12.009  -5.089   2.586
  548    HA   ASN  74           HA       ASN  74 -11.058  -7.725   2.899
  549    HB2  ASN  74           HB2      ASN  74 -12.334  -6.450   0.453
  550    HB3  ASN  74           HB1      ASN  74 -12.118  -8.191   0.697
  551   HD21  ASN  74          HD21      ASN  74 -13.982  -9.128   1.196
  552   HD22  ASN  74          HD22      ASN  74 -15.201  -8.462   2.244
  553    H    ILE  75           HN       ILE  75  -9.697  -5.031   1.304
  554    HA   ILE  75           HA       ILE  75  -7.949  -6.600  -0.392
  555    HB   ILE  75           HB       ILE  75  -8.077  -3.720   0.298
  556   HG12  ILE  75          HG12      ILE  75  -9.849  -4.556  -1.165
  557   HG13  ILE  75          HG11      ILE  75  -8.751  -3.528  -2.115
  558   HG21  ILE  75          HG21      ILE  75  -6.307  -3.247  -1.246
  559   HG22  ILE  75          HG22      ILE  75  -6.199  -4.945  -1.707
  560   HG23  ILE  75          HG23      ILE  75  -5.722  -4.441  -0.088
  561   HD11  ILE  75          HD11      ILE  75  -8.824  -5.232  -3.556
  562   HD12  ILE  75          HD12      ILE  75  -9.315  -6.399  -2.330
  563   HD13  ILE  75          HD13      ILE  75  -7.618  -5.948  -2.489
  564    H    SER  76           HN       SER  76  -7.781  -4.985   2.712
  565    HA   SER  76           HA       SER  76  -4.970  -5.499   3.012
  566    HB2  SER  76           HB2      SER  76  -5.849  -3.633   4.200
  567    HB3  SER  76           HB1      SER  76  -7.090  -4.622   4.974
  568    HG   SER  76           HG       SER  76  -5.566  -5.508   6.278
  569    H    ASN  77           HN       ASN  77  -7.832  -7.293   3.472
  570    HA   ASN  77           HA       ASN  77  -6.690  -9.357   5.114
  571    HB2  ASN  77           HB2      ASN  77  -9.021  -9.323   3.190
  572    HB3  ASN  77           HB1      ASN  77  -8.483 -10.798   4.000
  573   HD21  ASN  77          HD21      ASN  77  -9.717 -11.273   5.634
  574   HD22  ASN  77          HD22      ASN  77 -10.423 -10.150   6.756
  575    H    ASP  78           HN       ASP  78  -6.666  -8.393   1.768
  576    HA   ASP  78           HA       ASP  78  -5.291 -10.769   0.874
  577    HB2  ASP  78           HB2      ASP  78  -5.881  -8.143  -0.490
  578    HB3  ASP  78           HB1      ASP  78  -4.922  -9.436  -1.252
  579    H    ILE  79           HN       ILE  79  -4.373  -7.598   2.043
  580    HA   ILE  79           HA       ILE  79  -1.700  -7.781   1.082
  581    HB   ILE  79           HB       ILE  79  -2.587  -6.158   3.499
  582   HG12  ILE  79          HG12      ILE  79  -4.028  -5.690   1.525
  583   HG13  ILE  79          HG11      ILE  79  -2.995  -4.304   1.956
  584   HG21  ILE  79          HG21      ILE  79  -0.127  -6.478   3.001
  585   HG22  ILE  79          HG22      ILE  79  -0.679  -4.802   3.026
  586   HG23  ILE  79          HG23      ILE  79  -0.399  -5.615   1.488
  587   HD11  ILE  79          HD11      ILE  79  -2.407  -6.277  -0.248
  588   HD12  ILE  79          HD12      ILE  79  -1.509  -4.807   0.130
  589   HD13  ILE  79          HD13      ILE  79  -3.162  -4.698  -0.473
  590    H    ASN  80           HN       ASN  80  -3.411  -9.217   3.641
  591    HA   ASN  80           HA       ASN  80  -1.283  -9.848   5.397
  592    HB2  ASN  80           HB2      ASN  80  -3.957 -11.153   4.887
  593    HB3  ASN  80           HB1      ASN  80  -2.844 -11.683   6.129
  594   HD21  ASN  80          HD21      ASN  80  -2.352  -8.486   6.017
  595   HD22  ASN  80          HD22      ASN  80  -3.514  -7.956   7.195
  596    H    LYS  81           HN       LYS  81  -2.696 -11.463   2.558
  597    HA   LYS  81           HA       LYS  81  -0.834 -13.637   2.811
  598    HB2  LYS  81           HB2      LYS  81  -1.780 -14.329   0.534
  599    HB3  LYS  81           HB1      LYS  81  -2.818 -14.430   1.943
  600    HG2  LYS  81           HG2      LYS  81  -2.922 -11.936   0.361
  601    HG3  LYS  81           HG1      LYS  81  -3.634 -13.400  -0.351
  602    HD2  LYS  81           HD2      LYS  81  -4.282 -12.240   2.362
  603    HD3  LYS  81           HD1      LYS  81  -5.283 -12.098   0.914
  604    HE2  LYS  81           HE2      LYS  81  -5.522 -14.540   0.849
  605    HE3  LYS  81           HE1      LYS  81  -4.540 -14.670   2.307
  606    HZ1  LYS  81           HZ1      LYS  81  -6.879 -14.807   2.830
  607    HZ2  LYS  81           HZ2      LYS  81  -7.176 -13.303   2.100
  608    HZ3  LYS  81           HZ3      LYS  81  -6.223 -13.396   3.506
  609    H    LEU  82           HN       LEU  82  -1.364 -11.108   0.309
  610    HA   LEU  82           HA       LEU  82   0.743 -11.623  -1.333
  611    HB2  LEU  82           HB2      LEU  82  -0.592  -9.102  -0.513
  612    HB3  LEU  82           HB1      LEU  82   0.779  -9.073  -1.639
  613    HG   LEU  82           HG       LEU  82  -1.411  -9.085  -2.744
  614   HD11  LEU  82          HD11      LEU  82  -0.570 -11.617  -3.740
  615   HD12  LEU  82          HD12      LEU  82   0.834 -10.626  -3.341
  616   HD13  LEU  82          HD13      LEU  82  -0.382 -10.019  -4.465
  617   HD21  LEU  82          HD21      LEU  82  -2.643 -10.490  -1.162
  618   HD22  LEU  82          HD22      LEU  82  -1.728 -11.881  -1.745
  619   HD23  LEU  82          HD23      LEU  82  -2.811 -11.019  -2.837
  620    H    ASN  83           HN       ASN  83   0.857 -10.172   1.821
  621    HA   ASN  83           HA       ASN  83   2.551  -9.513   3.206
  622    HB2  ASN  83           HB2      ASN  83   2.859 -11.993   2.919
  623    HB3  ASN  83           HB1      ASN  83   4.074 -11.645   1.687
  624   HD21  ASN  83          HD21      ASN  83   4.161  -9.294   4.065
  625   HD22  ASN  83          HD22      ASN  83   5.460  -9.949   5.021
  626    H    ILE  84           HN       ILE  84   2.818  -7.407   2.235
  627    HA   ILE  84           HA       ILE  84   4.677  -7.001   0.113
  628    HB   ILE  84           HB       ILE  84   3.536  -4.939   1.981
  629   HG12  ILE  84          HG12      ILE  84   2.503  -5.904  -0.699
  630   HG13  ILE  84          HG11      ILE  84   1.751  -6.231   0.882
  631   HG21  ILE  84          HG21      ILE  84   3.868  -3.522  -0.150
  632   HG22  ILE  84          HG22      ILE  84   5.001  -4.790  -0.617
  633   HG23  ILE  84          HG23      ILE  84   5.263  -3.876   0.869
  634   HD11  ILE  84          HD11      ILE  84   1.008  -4.063   1.111
  635   HD12  ILE  84          HD12      ILE  84   0.835  -4.331  -0.624
  636   HD13  ILE  84          HD13      ILE  84   2.211  -3.416  -0.006
  637    H    LYS  85           HN       LYS  85   6.779  -7.573   0.572
  638    HA   LYS  85           HA       LYS  85   8.205  -5.634   2.028
  639    HB2  LYS  85           HB2      LYS  85   9.430  -7.413   3.504
  640    HB3  LYS  85           HB1      LYS  85   7.971  -6.615   4.043
  641    HG2  LYS  85           HG2      LYS  85   7.848  -8.900   4.671
  642    HG3  LYS  85           HG1      LYS  85   6.678  -8.629   3.393
  643    HD2  LYS  85           HD2      LYS  85   9.394  -9.773   2.807
  644    HD3  LYS  85           HD1      LYS  85   8.073 -10.794   3.374
  645    HE2  LYS  85           HE2      LYS  85   6.712 -10.013   1.452
  646    HE3  LYS  85           HE1      LYS  85   8.105  -9.099   0.876
  647    HZ1  LYS  85           HZ1      LYS  85   8.526 -11.942   1.403
  648    HZ2  LYS  85           HZ2      LYS  85   9.151 -10.958   0.164
  649    HZ3  LYS  85           HZ3      LYS  85   7.560 -11.544   0.063
  650    H    GLY  86           HN       GLY  86   9.251  -5.245   0.198
  651    HA2  GLY  86           HA2      GLY  86  11.106  -5.270  -1.132
  652    HA3  GLY  86           HA1      GLY  86  11.758  -6.443   0.027
  653    HA   PRO  87           HA       PRO  87  12.997  -5.667  -1.895
  654    HB2  PRO  87           HB2      PRO  87  14.205  -5.701  -4.260
  655    HB3  PRO  87           HB1      PRO  87  14.441  -7.005  -3.092
  656    HG2  PRO  87           HG2      PRO  87  12.733  -6.928  -5.535
  657    HG3  PRO  87           HG1      PRO  87  13.731  -8.256  -4.915
  658    HD2  PRO  87           HD2      PRO  87  10.969  -7.967  -4.543
  659    HD3  PRO  87           HD1      PRO  87  12.048  -9.030  -3.585
  660    H    TYR  88           HN       TYR  88  13.580  -3.677  -3.242
  661    HA   TYR  88           HA       TYR  88  12.418  -1.579  -3.380
  662    HB2  TYR  88           HB2      TYR  88  12.817  -2.725  -6.157
  663    HB3  TYR  88           HB1      TYR  88  12.633  -0.984  -5.764
  664    HD1  TYR  88           HD1      TYR  88  14.759  -3.901  -4.717
  665    HD2  TYR  88           HD2      TYR  88  14.561   0.239  -5.650
  666    HE1  TYR  88           HE1      TYR  88  17.188  -3.715  -4.376
  667    HE2  TYR  88           HE2      TYR  88  16.986   0.438  -5.322
  668    HH   TYR  88           HH       TYR  88  19.054  -1.818  -5.441
  669    H    ILE  89           HN       ILE  89  10.288  -1.571  -2.639
  670    HA   ILE  89           HA       ILE  89   8.235  -2.198  -4.661
  671    HB   ILE  89           HB       ILE  89   7.997  -2.165  -1.642
  672   HG12  ILE  89          HG12      ILE  89   7.709  -4.387  -3.704
  673   HG13  ILE  89          HG11      ILE  89   9.131  -4.191  -2.648
  674   HG21  ILE  89          HG21      ILE  89   5.922  -1.415  -2.304
  675   HG22  ILE  89          HG22      ILE  89   5.696  -3.163  -2.275
  676   HG23  ILE  89          HG23      ILE  89   5.947  -2.332  -3.810
  677   HD11  ILE  89          HD11      ILE  89   6.310  -4.677  -1.683
  678   HD12  ILE  89          HD12      ILE  89   7.785  -4.666  -0.715
  679   HD13  ILE  89          HD13      ILE  89   7.526  -5.933  -1.916
  680    H    GLU  90           HN       GLU  90   6.903  -0.709  -5.368
  681    HA   GLU  90           HA       GLU  90   6.735   1.854  -3.921
  682    HB2  GLU  90           HB2      GLU  90   6.547   1.483  -6.924
  683    HB3  GLU  90           HB1      GLU  90   6.300   3.006  -6.053
  684    HG2  GLU  90           HG2      GLU  90   8.872   1.439  -6.175
  685    HG3  GLU  90           HG1      GLU  90   8.497   2.895  -7.098
  686    H    ILE  91           HN       ILE  91   4.853   1.564  -2.868
  687    HA   ILE  91           HA       ILE  91   2.541   0.410  -4.229
  688    HB   ILE  91           HB       ILE  91   2.511   1.295  -1.367
  689   HG12  ILE  91          HG12      ILE  91   3.788  -1.274  -2.305
  690   HG13  ILE  91          HG11      ILE  91   4.677   0.112  -1.687
  691   HG21  ILE  91          HG21      ILE  91   1.593  -1.376  -1.923
  692   HG22  ILE  91          HG22      ILE  91   0.820  -0.220  -3.003
  693   HG23  ILE  91          HG23      ILE  91   0.702  -0.014  -1.248
  694   HD11  ILE  91          HD11      ILE  91   4.059  -1.908  -0.140
  695   HD12  ILE  91          HD12      ILE  91   2.513  -1.064  -0.024
  696   HD13  ILE  91          HD13      ILE  91   4.000  -0.254   0.470
  697    H    LYS  92           HN       LYS  92   1.323   1.953  -5.350
  698    HA   LYS  92           HA       LYS  92   0.235   4.166  -3.935
  699    HB2  LYS  92           HB2      LYS  92   1.234   5.999  -4.920
  700    HB3  LYS  92           HB1      LYS  92   2.613   4.902  -4.824
  701    HG2  LYS  92           HG2      LYS  92   0.909   5.375  -7.267
  702    HG3  LYS  92           HG1      LYS  92   2.480   6.104  -6.957
  703    HD2  LYS  92           HD2      LYS  92   3.536   3.904  -7.065
  704    HD3  LYS  92           HD1      LYS  92   1.950   3.154  -7.270
  705    HE2  LYS  92           HE2      LYS  92   1.682   3.981  -9.422
  706    HE3  LYS  92           HE1      LYS  92   2.796   5.314  -9.134
  707    HZ1  LYS  92           HZ1      LYS  92   3.636   3.561 -10.657
  708    HZ2  LYS  92           HZ2      LYS  92   3.698   2.510  -9.331
  709    HZ3  LYS  92           HZ3      LYS  92   4.657   3.908  -9.341
  710    H    GLN  93           HN       GLN  93  -1.194   5.536  -5.510
  711    HA   GLN  93           HA       GLN  93  -2.539   3.633  -7.210
  712    HB2  GLN  93           HB2      GLN  93  -4.181   5.377  -7.672
  713    HB3  GLN  93           HB1      GLN  93  -4.008   5.016  -5.950
  714    HG2  GLN  93           HG2      GLN  93  -2.542   6.976  -5.739
  715    HG3  GLN  93           HG1      GLN  93  -2.884   7.387  -7.418
  716   HE21  GLN  93          HE21      GLN  93  -3.725   8.055  -4.330
  717   HE22  GLN  93          HE22      GLN  93  -5.331   8.640  -4.573
  718    H    ILE  94           HN       ILE  94  -3.134   4.098  -9.344
  719    HA   ILE  94           HA       ILE  94  -0.973   5.414 -10.850
  720    HB   ILE  94           HB       ILE  94  -1.054   3.352 -12.257
  721   HG12  ILE  94          HG12      ILE  94  -2.704   2.444  -9.898
  722   HG13  ILE  94          HG11      ILE  94  -3.201   2.534 -11.583
  723   HG21  ILE  94          HG21      ILE  94   0.819   3.005 -11.111
  724   HG22  ILE  94          HG22      ILE  94  -0.135   2.028  -9.989
  725   HG23  ILE  94          HG23      ILE  94   0.130   3.743  -9.665
  726   HD11  ILE  94          HD11      ILE  94  -2.552   0.464 -11.913
  727   HD12  ILE  94          HD12      ILE  94  -2.152   0.363 -10.198
  728   HD13  ILE  94          HD13      ILE  94  -0.922   0.856 -11.363
  Start of MODEL   24
    1    H    ASP   1           HT1      ASP   1  10.704  10.098  -8.086
    2    HA   ASP   1           HA       ASP   1  12.738  10.940  -7.501
    3    HB2  ASP   1           HB2      ASP   1  10.699  12.376  -5.780
    4    HB3  ASP   1           HB1      ASP   1  12.269  13.030  -6.236
    5    H    ASN   2           HN       ASN   2  13.954   9.360  -6.439
    6    HA   ASN   2           HA       ASN   2  13.717   8.850  -3.641
    7    HB2  ASN   2           HB2      ASN   2  15.953   8.272  -5.592
    8    HB3  ASN   2           HB1      ASN   2  15.946   7.730  -3.917
    9   HD21  ASN   2          HD21      ASN   2  15.302   6.810  -6.988
   10   HD22  ASN   2          HD22      ASN   2  14.173   5.537  -6.679
   11    H    GLN   3           HN       GLN   3  13.980  10.500  -2.288
   12    HA   GLN   3           HA       GLN   3  15.994  12.530  -2.706
   13    HB2  GLN   3           HB2      GLN   3  13.829  13.083  -1.671
   14    HB3  GLN   3           HB1      GLN   3  14.173  11.982  -0.347
   15    HG2  GLN   3           HG2      GLN   3  16.044  13.371   0.344
   16    HG3  GLN   3           HG1      GLN   3  15.738  14.466  -1.005
   17   HE21  GLN   3          HE21      GLN   3  14.698  16.227  -0.448
   18   HE22  GLN   3          HE22      GLN   3  13.528  16.370   0.815
   19    H    LYS   4           HN       LYS   4  15.380   9.992  -0.291
   20    HA   LYS   4           HA       LYS   4  18.255  10.031   0.359
   21    HB2  LYS   4           HB2      LYS   4  16.710  10.550   2.245
   22    HB3  LYS   4           HB1      LYS   4  15.974   8.968   2.042
   23    HG2  LYS   4           HG2      LYS   4  18.105   7.902   2.587
   24    HG3  LYS   4           HG1      LYS   4  18.845   9.492   2.783
   25    HD2  LYS   4           HD2      LYS   4  17.276   9.989   4.603
   26    HD3  LYS   4           HD1      LYS   4  16.559   8.387   4.415
   27    HE2  LYS   4           HE2      LYS   4  19.423   8.975   5.161
   28    HE3  LYS   4           HE1      LYS   4  18.157   8.441   6.267
   29    HZ1  LYS   4           HZ1      LYS   4  19.442   6.555   5.674
   30    HZ2  LYS   4           HZ2      LYS   4  19.349   6.908   4.014
   31    HZ3  LYS   4           HZ3      LYS   4  17.959   6.407   4.857
   32    H    ALA   5           HN       ALA   5  15.884   8.371  -1.273
   33    HA   ALA   5           HA       ALA   5  15.829   6.419  -2.424
   34    HB1  ALA   5           HB1      ALA   5  17.960   4.952  -2.331
   35    HB2  ALA   5           HB2      ALA   5  18.679   6.352  -1.535
   36    HB3  ALA   5           HB3      ALA   5  18.011   6.509  -3.160
   37    H    LEU   6           HN       LEU   6  17.624   5.678   0.582
   38    HA   LEU   6           HA       LEU   6  16.124   3.260   1.035
   39    HB2  LEU   6           HB2      LEU   6  17.964   4.790   2.879
   40    HB3  LEU   6           HB1      LEU   6  17.341   3.178   3.170
   41    HG   LEU   6           HG       LEU   6  19.204   3.956   0.921
   42   HD11  LEU   6          HD11      LEU   6  19.713   2.333   3.409
   43   HD12  LEU   6          HD12      LEU   6  20.261   3.988   3.137
   44   HD13  LEU   6          HD13      LEU   6  20.873   2.679   2.126
   45   HD21  LEU   6          HD21      LEU   6  17.765   2.146   0.241
   46   HD22  LEU   6          HD22      LEU   6  18.082   1.285   1.746
   47   HD23  LEU   6          HD23      LEU   6  19.379   1.518   0.575
   48    H    GLU   7           HN       GLU   7  15.089   6.232   1.073
   49    HA   GLU   7           HA       GLU   7  13.931   6.614   3.630
   50    HB2  GLU   7           HB2      GLU   7  12.635   8.385   2.465
   51    HB3  GLU   7           HB1      GLU   7  14.365   8.483   2.164
   52    HG2  GLU   7           HG2      GLU   7  14.004   7.319   0.002
   53    HG3  GLU   7           HG1      GLU   7  12.268   7.386   0.304
   54    H    GLU   8           HN       GLU   8  13.011   4.769   0.854
   55    HA   GLU   8           HA       GLU   8  10.221   4.753   1.288
   56    HB2  GLU   8           HB2      GLU   8  11.980   2.783  -0.173
   57    HB3  GLU   8           HB1      GLU   8  10.222   2.802  -0.239
   58    HG2  GLU   8           HG2      GLU   8  12.023   5.048  -1.123
   59    HG3  GLU   8           HG1      GLU   8  11.238   3.880  -2.188
   60    H    GLN   9           HN       GLN   9  12.787   3.122   2.850
   61    HA   GLN   9           HA       GLN   9  11.021   1.034   3.858
   62    HB2  GLN   9           HB2      GLN   9  13.998   1.440   4.204
   63    HB3  GLN   9           HB1      GLN   9  13.093   0.094   4.874
   64    HG2  GLN   9           HG2      GLN   9  14.232  -0.625   2.896
   65    HG3  GLN   9           HG1      GLN   9  12.498  -0.609   2.584
   66   HE21  GLN   9          HE21      GLN   9  12.024   0.095   0.639
   67   HE22  GLN   9          HE22      GLN   9  12.865   1.328  -0.236
   68    H    MET  10           HN       MET  10  11.799   4.151   4.792
   69    HA   MET  10           HA       MET  10  11.715   3.384   7.629
   70    HB2  MET  10           HB2      MET  10  12.667   5.581   8.171
   71    HB3  MET  10           HB1      MET  10  13.701   4.629   7.123
   72    HG2  MET  10           HG2      MET  10  13.026   5.973   5.213
   73    HG3  MET  10           HG1      MET  10  11.942   6.907   6.245
   74    HE1  MET  10           HE1      MET  10  14.770   8.695   4.672
   75    HE2  MET  10           HE2      MET  10  14.056   9.726   5.912
   76    HE3  MET  10           HE3      MET  10  13.029   8.658   4.956
   77    H    ASN  11           HN       ASN  11  10.611   6.293   5.853
   78    HA   ASN  11           HA       ASN  11   8.284   6.410   7.636
   79    HB2  ASN  11           HB2      ASN  11   9.425   8.358   5.640
   80    HB3  ASN  11           HB1      ASN  11   7.803   8.552   6.314
   81   HD21  ASN  11          HD21      ASN  11  10.905   9.524   6.604
   82   HD22  ASN  11          HD22      ASN  11  10.936   9.953   8.277
   83    H    SER  12           HN       SER  12   9.182   6.382   4.310
   84    HA   SER  12           HA       SER  12   7.055   6.861   2.938
   85    HB2  SER  12           HB2      SER  12   9.096   6.211   1.890
   86    HB3  SER  12           HB1      SER  12   8.960   4.558   2.523
   87    HG   SER  12           HG       SER  12   8.330   4.918   0.239
   88    H    ILE  13           HN       ILE  13   7.559   3.580   4.257
   89    HA   ILE  13           HA       ILE  13   5.204   2.546   3.178
   90    HB   ILE  13           HB       ILE  13   7.176   1.270   3.595
   91   HG12  ILE  13          HG12      ILE  13   6.239  -0.566   4.948
   92   HG13  ILE  13          HG11      ILE  13   4.877   0.496   5.356
   93   HG21  ILE  13          HG21      ILE  13   7.135   2.586   6.125
   94   HG22  ILE  13          HG22      ILE  13   8.403   1.582   5.419
   95   HG23  ILE  13          HG23      ILE  13   7.126   0.842   6.388
   96   HD11  ILE  13          HD11      ILE  13   4.687   0.680   2.742
   97   HD12  ILE  13          HD12      ILE  13   3.988  -0.685   3.609
   98   HD13  ILE  13          HD13      ILE  13   5.539  -0.863   2.788
   99    H    ASN  14           HN       ASN  14   5.788   4.407   5.966
  100    HA   ASN  14           HA       ASN  14   3.268   3.597   7.224
  101    HB2  ASN  14           HB2      ASN  14   5.465   5.427   8.212
  102    HB3  ASN  14           HB1      ASN  14   3.947   5.165   9.062
  103   HD21  ASN  14          HD21      ASN  14   4.558   2.307   7.649
  104   HD22  ASN  14          HD22      ASN  14   5.447   1.523   8.909
  105    H    SER  15           HN       SER  15   4.863   6.319   5.630
  106    HA   SER  15           HA       SER  15   2.634   8.076   6.018
  107    HB2  SER  15           HB2      SER  15   3.761   9.582   4.447
  108    HB3  SER  15           HB1      SER  15   4.852   9.033   5.726
  109    HG   SER  15           HG       SER  15   5.906   8.882   3.739
  110    H    VAL  16           HN       VAL  16   3.525   5.628   3.762
  111    HA   VAL  16           HA       VAL  16   1.942   6.372   1.551
  112    HB   VAL  16           HB       VAL  16   3.678   4.494   1.654
  113   HG11  VAL  16          HG11      VAL  16   2.722   3.349   3.611
  114   HG12  VAL  16          HG12      VAL  16   2.911   2.285   2.217
  115   HG13  VAL  16          HG13      VAL  16   1.314   2.908   2.638
  116   HG21  VAL  16          HG21      VAL  16   2.389   4.875  -0.325
  117   HG22  VAL  16          HG22      VAL  16   1.017   4.001   0.361
  118   HG23  VAL  16          HG23      VAL  16   2.510   3.138  -0.027
  119    H    ASN  17           HN       ASN  17   1.314   5.229   4.626
  120    HA   ASN  17           HA       ASN  17  -1.342   4.187   4.254
  121    HB2  ASN  17           HB2      ASN  17   0.066   5.161   6.754
  122    HB3  ASN  17           HB1      ASN  17  -1.448   4.266   6.718
  123   HD21  ASN  17          HD21      ASN  17   0.123   2.912   4.288
  124   HD22  ASN  17          HD22      ASN  17   0.986   1.661   5.110
  125    H    ASP  18           HN       ASP  18   0.169   7.181   5.239
  126    HA   ASP  18           HA       ASP  18  -2.038   8.627   6.088
  127    HB2  ASP  18           HB2      ASP  18   0.548   9.440   4.756
  128    HB3  ASP  18           HB1      ASP  18  -0.584  10.600   5.400
  129    H    LYS  19           HN       LYS  19  -1.303   7.618   2.866
  130    HA   LYS  19           HA       LYS  19  -3.033   9.703   1.714
  131    HB2  LYS  19           HB2      LYS  19  -1.849   7.362   0.224
  132    HB3  LYS  19           HB1      LYS  19  -2.621   8.790  -0.466
  133    HG2  LYS  19           HG2      LYS  19  -0.381   9.219  -0.791
  134    HG3  LYS  19           HG1      LYS  19  -0.721  10.094   0.722
  135    HD2  LYS  19           HD2      LYS  19   0.049   8.143   1.991
  136    HD3  LYS  19           HD1      LYS  19   0.417   7.341   0.461
  137    HE2  LYS  19           HE2      LYS  19   1.650   9.888   1.468
  138    HE3  LYS  19           HE1      LYS  19   2.396   8.284   1.566
  139    HZ1  LYS  19           HZ1      LYS  19   1.873   8.439  -1.052
  140    HZ2  LYS  19           HZ2      LYS  19   3.332   8.964  -0.368
  141    HZ3  LYS  19           HZ3      LYS  19   2.113  10.088  -0.722
  142    H    LEU  20           HN       LEU  20  -2.782   6.324   2.300
  143    HA   LEU  20           HA       LEU  20  -5.169   5.453   1.127
  144    HB2  LEU  20           HB2      LEU  20  -3.534   4.302   3.385
  145    HB3  LEU  20           HB1      LEU  20  -4.728   3.413   2.443
  146    HG   LEU  20           HG       LEU  20  -2.181   4.602   1.318
  147   HD11  LEU  20          HD11      LEU  20  -2.538   1.699   1.327
  148   HD12  LEU  20          HD12      LEU  20  -2.329   2.420   2.923
  149   HD13  LEU  20          HD13      LEU  20  -1.110   2.676   1.673
  150   HD21  LEU  20          HD21      LEU  20  -2.771   3.127  -0.624
  151   HD22  LEU  20          HD22      LEU  20  -3.836   4.513  -0.386
  152   HD23  LEU  20          HD23      LEU  20  -4.357   2.904   0.114
  153    H    ASN  21           HN       ASN  21  -4.290   6.592   4.287
  154    HA   ASN  21           HA       ASN  21  -6.740   5.904   5.564
  155    HB2  ASN  21           HB2      ASN  21  -4.304   7.478   6.365
  156    HB3  ASN  21           HB1      ASN  21  -5.724   7.448   7.407
  157   HD21  ASN  21          HD21      ASN  21  -2.810   6.171   7.113
  158   HD22  ASN  21          HD22      ASN  21  -3.082   4.576   7.758
  159    H    LYS  22           HN       LYS  22  -8.533   6.959   4.708
  160    HA   LYS  22           HA       LYS  22  -8.193   9.877   4.364
  161    HB2  LYS  22           HB2      LYS  22 -10.049   8.113   2.768
  162    HB3  LYS  22           HB1      LYS  22  -9.604   9.795   2.440
  163    HG2  LYS  22           HG2      LYS  22  -7.223   8.977   2.180
  164    HG3  LYS  22           HG1      LYS  22  -7.878   7.341   2.222
  165    HD2  LYS  22           HD2      LYS  22  -7.609   7.982  -0.067
  166    HD3  LYS  22           HD1      LYS  22  -9.333   7.928   0.299
  167    HE2  LYS  22           HE2      LYS  22  -9.403  10.335   0.523
  168    HE3  LYS  22           HE1      LYS  22  -7.658  10.437   0.298
  169    HZ1  LYS  22           HZ1      LYS  22  -9.723  10.326  -1.661
  170    HZ2  LYS  22           HZ2      LYS  22  -8.598   9.078  -1.901
  171    HZ3  LYS  22           HZ3      LYS  22  -8.073  10.688  -1.848
  172    H    GLY  23           HN       GLY  23 -10.633   7.430   5.235
  173    HA2  GLY  23           HA2      GLY  23 -11.850   8.711   7.264
  174    HA3  GLY  23           HA1      GLY  23 -12.551   9.457   5.818
  175    H    LYS  24           HN       LYS  24 -13.516   7.941   4.213
  176    HA   LYS  24           HA       LYS  24 -15.506   6.301   5.290
  177    HB2  LYS  24           HB2      LYS  24 -15.344   7.207   2.914
  178    HB3  LYS  24           HB1      LYS  24 -14.196   5.899   2.578
  179    HG2  LYS  24           HG2      LYS  24 -16.275   5.204   1.753
  180    HG3  LYS  24           HG1      LYS  24 -15.998   4.291   3.241
  181    HD2  LYS  24           HD2      LYS  24 -17.506   5.668   4.458
  182    HD3  LYS  24           HD1      LYS  24 -17.613   6.833   3.135
  183    HE2  LYS  24           HE2      LYS  24 -18.632   3.994   3.134
  184    HE3  LYS  24           HE1      LYS  24 -19.591   5.472   3.174
  185    HZ1  LYS  24           HZ1      LYS  24 -18.471   6.027   0.984
  186    HZ2  LYS  24           HZ2      LYS  24 -19.645   4.800   0.963
  187    HZ3  LYS  24           HZ3      LYS  24 -17.993   4.395   0.932
  188    H    GLY  25           HN       GLY  25 -12.497   5.414   3.714
  189    HA2  GLY  25           HA2      GLY  25 -12.075   3.250   5.536
  190    HA3  GLY  25           HA1      GLY  25 -12.242   2.790   3.863
  191    H    LYS  26           HN       LYS  26 -10.008   2.463   5.512
  192    HA   LYS  26           HA       LYS  26  -8.038   4.139   4.171
  193    HB2  LYS  26           HB2      LYS  26  -7.165   4.483   6.541
  194    HB3  LYS  26           HB1      LYS  26  -8.606   5.388   6.065
  195    HG2  LYS  26           HG2      LYS  26  -9.895   3.439   7.024
  196    HG3  LYS  26           HG1      LYS  26  -8.375   2.959   7.795
  197    HD2  LYS  26           HD2      LYS  26  -9.520   4.275   9.404
  198    HD3  LYS  26           HD1      LYS  26  -8.294   5.347   8.710
  199    HE2  LYS  26           HE2      LYS  26 -10.050   6.179   7.116
  200    HE3  LYS  26           HE1      LYS  26 -11.226   5.230   8.019
  201    HZ1  LYS  26           HZ1      LYS  26  -9.994   6.649   9.971
  202    HZ2  LYS  26           HZ2      LYS  26 -11.478   7.046   9.253
  203    HZ3  LYS  26           HZ3      LYS  26 -10.043   7.765   8.693
  204    H    LEU  27           HN       LEU  27  -5.839   3.401   4.541
  205    HA   LEU  27           HA       LEU  27  -5.674   0.589   5.324
  206    HB2  LEU  27           HB2      LEU  27  -6.000   0.499   3.023
  207    HB3  LEU  27           HB1      LEU  27  -4.841   1.814   2.721
  208    HG   LEU  27           HG       LEU  27  -3.012   0.357   3.443
  209   HD11  LEU  27          HD11      LEU  27  -3.274  -1.673   4.380
  210   HD12  LEU  27          HD12      LEU  27  -4.573  -2.121   3.275
  211   HD13  LEU  27          HD13      LEU  27  -4.925  -1.141   4.697
  212   HD21  LEU  27          HD21      LEU  27  -4.504   0.180   1.067
  213   HD22  LEU  27          HD22      LEU  27  -4.056  -1.472   1.494
  214   HD23  LEU  27          HD23      LEU  27  -2.809  -0.238   1.312
  215    H    SER  28           HN       SER  28  -3.861  -0.032   6.291
  216    HA   SER  28           HA       SER  28  -1.654   1.893   6.595
  217    HB2  SER  28           HB2      SER  28  -3.193   1.714   8.625
  218    HB3  SER  28           HB1      SER  28  -2.701   0.016   8.728
  219    HG   SER  28           HG       SER  28  -1.328   2.300   9.443
  220    H    LEU  29           HN       LEU  29   0.412   0.897   6.998
  221    HA   LEU  29           HA       LEU  29   0.503  -1.991   6.589
  222    HB2  LEU  29           HB2      LEU  29   2.329  -0.114   5.090
  223    HB3  LEU  29           HB1      LEU  29   2.223  -1.889   4.971
  224    HG   LEU  29           HG       LEU  29  -0.074  -0.083   4.217
  225   HD11  LEU  29          HD11      LEU  29   1.916  -1.298   2.303
  226   HD12  LEU  29          HD12      LEU  29   2.030   0.368   2.873
  227   HD13  LEU  29          HD13      LEU  29   0.622  -0.153   1.946
  228   HD21  LEU  29          HD21      LEU  29   0.362  -2.921   4.378
  229   HD22  LEU  29          HD22      LEU  29  -0.024  -2.443   2.724
  230   HD23  LEU  29          HD23      LEU  29  -1.122  -2.028   4.041
  231    H    SER  30           HN       SER  30   2.406  -2.964   7.375
  232    HA   SER  30           HA       SER  30   4.306  -1.297   8.813
  233    HB2  SER  30           HB2      SER  30   2.526  -1.774  10.465
  234    HB3  SER  30           HB1      SER  30   2.716  -3.500  10.170
  235    HG   SER  30           HG       SER  30   4.566  -1.706  11.365
  236    H    MET  31           HN       MET  31   5.743  -3.208  10.078
  237    HA   MET  31           HA       MET  31   6.284  -5.360   8.180
  238    HB2  MET  31           HB2      MET  31   8.676  -4.806   8.080
  239    HB3  MET  31           HB1      MET  31   7.675  -3.511   7.379
  240    HG2  MET  31           HG2      MET  31   7.878  -2.276   9.521
  241    HG3  MET  31           HG1      MET  31   8.971  -3.529  10.108
  242    HE1  MET  31           HE1      MET  31   8.806  -0.326   7.524
  243    HE2  MET  31           HE2      MET  31   8.341  -1.860   6.786
  244    HE3  MET  31           HE3      MET  31   9.866  -1.092   6.338
  245    H    ASN  32           HN       ASN  32   7.986  -6.812   9.050
  246    HA   ASN  32           HA       ASN  32   8.525  -6.645  11.884
  247    HB2  ASN  32           HB2      ASN  32   6.327  -7.816  11.839
  248    HB3  ASN  32           HB1      ASN  32   7.022  -9.037  10.756
  249   HD21  ASN  32          HD21      ASN  32   7.587 -10.834  11.738
  250   HD22  ASN  32          HD22      ASN  32   8.141 -10.974  13.382
  251    H    GLY  33           HN       GLY  33  10.656  -6.453  11.101
  252    HA2  GLY  33           HA2      GLY  33  12.747  -7.331  10.525
  253    HA3  GLY  33           HA1      GLY  33  11.992  -8.942  10.438
  254    H    ASN  34           HN       ASN  34  11.305  -9.719   8.501
  255    HA   ASN  34           HA       ASN  34  11.621  -7.955   6.145
  256    HB2  ASN  34           HB2      ASN  34  11.947 -10.961   6.325
  257    HB3  ASN  34           HB1      ASN  34  11.939 -10.049   4.821
  258   HD21  ASN  34          HD21      ASN  34  13.393  -8.035   6.915
  259   HD22  ASN  34          HD22      ASN  34  15.053  -8.508   6.683
  260    H    GLN  35           HN       GLN  35   9.358  -8.772   8.089
  261    HA   GLN  35           HA       GLN  35   7.510 -10.119   6.322
  262    HB2  GLN  35           HB2      GLN  35   7.712 -10.532   8.819
  263    HB3  GLN  35           HB1      GLN  35   6.949  -8.963   9.048
  264    HG2  GLN  35           HG2      GLN  35   5.335 -10.741   9.276
  265    HG3  GLN  35           HG1      GLN  35   4.962  -9.754   7.864
  266   HE21  GLN  35          HE21      GLN  35   5.157 -12.825   8.983
  267   HE22  GLN  35          HE22      GLN  35   5.387 -13.674   7.481
  268    H    LEU  36           HN       LEU  36   5.376  -9.289   5.917
  269    HA   LEU  36           HA       LEU  36   5.273  -6.362   5.745
  270    HB2  LEU  36           HB2      LEU  36   5.702  -7.082   3.616
  271    HB3  LEU  36           HB1      LEU  36   4.660  -8.492   3.732
  272    HG   LEU  36           HG       LEU  36   3.877  -6.793   2.105
  273   HD11  LEU  36          HD11      LEU  36   2.310  -8.006   4.150
  274   HD12  LEU  36          HD12      LEU  36   1.860  -7.603   2.493
  275   HD13  LEU  36          HD13      LEU  36   1.627  -6.422   3.782
  276   HD21  LEU  36          HD21      LEU  36   2.705  -4.842   3.741
  277   HD22  LEU  36          HD22      LEU  36   4.037  -4.640   2.601
  278   HD23  LEU  36          HD23      LEU  36   4.374  -4.989   4.296
  279    H    LYS  37           HN       LYS  37   3.500  -5.384   6.397
  280    HA   LYS  37           HA       LYS  37   1.294  -7.046   7.423
  281    HB2  LYS  37           HB2      LYS  37   2.638  -4.689   8.774
  282    HB3  LYS  37           HB1      LYS  37   1.332  -5.689   9.449
  283    HG2  LYS  37           HG2      LYS  37   4.047  -6.763   8.687
  284    HG3  LYS  37           HG1      LYS  37   3.637  -6.182  10.319
  285    HD2  LYS  37           HD2      LYS  37   1.779  -7.851  10.370
  286    HD3  LYS  37           HD1      LYS  37   2.354  -8.462   8.816
  287    HE2  LYS  37           HE2      LYS  37   4.497  -9.006   9.805
  288    HE3  LYS  37           HE1      LYS  37   3.953  -8.390  11.366
  289    HZ1  LYS  37           HZ1      LYS  37   3.845 -10.903  10.933
  290    HZ2  LYS  37           HZ2      LYS  37   2.472 -10.551   9.990
  291    HZ3  LYS  37           HZ3      LYS  37   2.495 -10.154  11.646
  292    H    ALA  38           HN       ALA  38  -0.743  -6.141   7.210
  293    HA   ALA  38           HA       ALA  38  -1.011  -3.350   6.412
  294    HB1  ALA  38           HB1      ALA  38  -1.605  -3.897   4.346
  295    HB2  ALA  38           HB2      ALA  38  -2.977  -4.789   5.010
  296    HB3  ALA  38           HB3      ALA  38  -1.442  -5.613   4.723
  297    H    THR  39           HN       THR  39  -2.916  -2.402   6.991
  298    HA   THR  39           HA       THR  39  -5.011  -3.953   8.246
  299    HB   THR  39           HB       THR  39  -5.039  -2.300  10.199
  300    HG1  THR  39           HG1      THR  39  -2.397  -1.891   9.261
  301   HG21  THR  39          HG21      THR  39  -4.447  -4.272  11.087
  302   HG22  THR  39          HG22      THR  39  -2.867  -3.499  11.215
  303   HG23  THR  39          HG23      THR  39  -3.214  -4.580   9.864
  304    H    SER  40           HN       SER  40  -6.966  -3.111   7.770
  305    HA   SER  40           HA       SER  40  -7.049  -0.376   6.642
  306    HB2  SER  40           HB2      SER  40  -9.104  -1.073   5.502
  307    HB3  SER  40           HB1      SER  40  -7.743  -2.102   5.055
  308    HG   SER  40           HG       SER  40  -8.664  -3.772   6.004
  309    H    SER  41           HN       SER  41  -9.284   0.627   7.080
  310    HA   SER  41           HA       SER  41 -10.278  -0.300   9.676
  311    HB2  SER  41           HB2      SER  41  -8.772   1.482  10.269
  312    HB3  SER  41           HB1      SER  41  -9.491   2.561   9.073
  313    HG   SER  41           HG       SER  41 -10.362   1.864  11.611
  314    H    ASN  42           HN       ASN  42 -12.358   0.336  10.233
  315    HA   ASN  42           HA       ASN  42 -14.562   0.780   9.925
  316    HB2  ASN  42           HB2      ASN  42 -13.741   1.870   7.217
  317    HB3  ASN  42           HB1      ASN  42 -15.428   1.855   7.852
  318   HD21  ASN  42          HD21      ASN  42 -12.760   3.712   7.479
  319   HD22  ASN  42          HD22      ASN  42 -13.016   4.856   8.774
  320    H    ALA  43           HN       ALA  43 -12.725  -1.426   8.803
  321    HA   ALA  43           HA       ALA  43 -12.938  -3.481   7.805
  322    HB1  ALA  43           HB1      ALA  43 -14.192  -4.703   9.191
  323    HB2  ALA  43           HB2      ALA  43 -15.647  -3.749   8.898
  324    HB3  ALA  43           HB3      ALA  43 -14.417  -3.165  10.024
  325    H    GLY  44           HN       GLY  44 -13.320  -2.112   5.616
  326    HA2  GLY  44           HA2      GLY  44 -14.112  -3.148   3.606
  327    HA3  GLY  44           HA1      GLY  44 -15.649  -3.476   4.452
  328    H    TYR  45           HN       TYR  45 -13.926  -0.395   4.402
  329    HA   TYR  45           HA       TYR  45 -15.945   0.609   2.532
  330    HB2  TYR  45           HB2      TYR  45 -14.803   2.106   4.915
  331    HB3  TYR  45           HB1      TYR  45 -15.715   2.864   3.596
  332    HD1  TYR  45           HD1      TYR  45 -17.726   3.618   4.620
  333    HD2  TYR  45           HD2      TYR  45 -16.370  -0.340   5.417
  334    HE1  TYR  45           HE1      TYR  45 -19.804   3.149   5.824
  335    HE2  TYR  45           HE2      TYR  45 -18.450  -0.811   6.619
  336    HH   TYR  45           HH       TYR  45 -20.223   0.738   7.907
  337    H    GLY  46           HN       GLY  46 -15.154   2.135   1.025
  338    HA2  GLY  46           HA2      GLY  46 -12.246   1.905   0.589
  339    HA3  GLY  46           HA1      GLY  46 -13.457   2.297  -0.629
  340    H    ILE  47           HN       ILE  47 -12.219   4.131  -1.253
  341    HA   ILE  47           HA       ILE  47 -11.379   6.283   0.335
  342    HB   ILE  47           HB       ILE  47 -12.758   6.522  -2.334
  343   HG12  ILE  47          HG12      ILE  47 -10.945   5.000  -2.657
  344   HG13  ILE  47          HG11      ILE  47 -10.479   6.572  -3.307
  345   HG21  ILE  47          HG21      ILE  47 -11.484   8.584  -2.588
  346   HG22  ILE  47          HG22      ILE  47 -10.769   8.340  -0.993
  347   HG23  ILE  47          HG23      ILE  47 -12.503   8.631  -1.149
  348   HD11  ILE  47          HD11      ILE  47  -9.145   4.981  -1.373
  349   HD12  ILE  47          HD12      ILE  47  -9.633   6.501  -0.616
  350   HD13  ILE  47          HD13      ILE  47  -8.647   6.524  -2.077
  351    H    SER  48           HN       SER  48 -14.333   5.890  -1.486
  352    HA   SER  48           HA       SER  48 -16.180   6.808   0.403
  353    HB2  SER  48           HB2      SER  48 -16.611   9.077  -0.512
  354    HB3  SER  48           HB1      SER  48 -14.978   8.925   0.177
  355    HG   SER  48           HG       SER  48 -15.015  10.009  -1.867
  356    H    TYR  49           HN       TYR  49 -15.834   7.798  -2.937
  357    HA   TYR  49           HA       TYR  49 -17.202   5.557  -4.014
  358    HB2  TYR  49           HB2      TYR  49 -18.923   7.148  -5.182
  359    HB3  TYR  49           HB1      TYR  49 -19.269   6.466  -3.588
  360    HD1  TYR  49           HD1      TYR  49 -17.210   9.429  -4.677
  361    HD2  TYR  49           HD2      TYR  49 -20.533   8.055  -2.368
  362    HE1  TYR  49           HE1      TYR  49 -17.537  11.690  -3.788
  363    HE2  TYR  49           HE2      TYR  49 -20.848  10.308  -1.486
  364    HH   TYR  49           HH       TYR  49 -19.265  13.052  -2.798
  365    H    GLU  50           HN       GLU  50 -15.046   5.669  -4.850
  366    HA   GLU  50           HA       GLU  50 -14.970   7.127  -7.360
  367    HB2  GLU  50           HB2      GLU  50 -12.919   7.355  -5.163
  368    HB3  GLU  50           HB1      GLU  50 -12.516   7.711  -6.831
  369    HG2  GLU  50           HG2      GLU  50 -14.259   9.439  -6.860
  370    HG3  GLU  50           HG1      GLU  50 -14.613   9.086  -5.160
  371    H    ASP  51           HN       ASP  51 -13.609   6.147  -8.936
  372    HA   ASP  51           HA       ASP  51 -12.944   3.407  -8.256
  373    HB2  ASP  51           HB2      ASP  51 -12.778   2.882 -10.545
  374    HB3  ASP  51           HB1      ASP  51 -14.245   3.832 -10.312
  375    H    LYS  52           HN       LYS  52 -11.062   2.812  -7.645
  376    HA   LYS  52           HA       LYS  52  -8.803   4.627  -8.117
  377    HB2  LYS  52           HB2      LYS  52  -9.195   3.009  -5.632
  378    HB3  LYS  52           HB1      LYS  52  -8.146   4.395  -5.885
  379    HG2  LYS  52           HG2      LYS  52 -11.125   4.372  -5.648
  380    HG3  LYS  52           HG1      LYS  52  -9.973   5.073  -4.515
  381    HD2  LYS  52           HD2      LYS  52 -10.676   5.991  -7.286
  382    HD3  LYS  52           HD1      LYS  52 -10.989   6.834  -5.767
  383    HE2  LYS  52           HE2      LYS  52  -8.267   6.302  -6.966
  384    HE3  LYS  52           HE1      LYS  52  -9.106   7.852  -6.942
  385    HZ1  LYS  52           HZ1      LYS  52  -8.396   6.384  -4.466
  386    HZ2  LYS  52           HZ2      LYS  52  -8.877   8.004  -4.617
  387    HZ3  LYS  52           HZ3      LYS  52  -7.357   7.511  -5.191
  388    H    ASN  53           HN       ASN  53  -7.615   3.547  -9.528
  389    HA   ASN  53           HA       ASN  53  -7.073   0.718  -9.083
  390    HB2  ASN  53           HB2      ASN  53  -6.230   2.578 -11.312
  391    HB3  ASN  53           HB1      ASN  53  -5.721   0.883 -11.189
  392   HD21  ASN  53          HD21      ASN  53  -8.813   1.196  -9.924
  393   HD22  ASN  53          HD22      ASN  53  -9.689   0.696 -11.343
  394    H    TRP  54           HN       TRP  54  -5.372  -0.008  -8.063
  395    HA   TRP  54           HA       TRP  54  -3.243   1.922  -7.445
  396    HB2  TRP  54           HB2      TRP  54  -5.043   0.522  -5.705
  397    HB3  TRP  54           HB1      TRP  54  -3.387  -0.062  -5.420
  398    HD1  TRP  54           HD1      TRP  54  -5.337   3.325  -5.406
  399    HE1  TRP  54           HE1      TRP  54  -3.995   4.920  -3.877
  400    HE3  TRP  54           HE3      TRP  54  -1.388   0.308  -4.436
  401    HZ2  TRP  54           HZ2      TRP  54  -1.498   4.849  -2.474
  402    HZ3  TRP  54           HZ3      TRP  54   0.414   1.126  -3.024
  403    HH2  TRP  54           HH2      TRP  54   0.352   3.343  -2.057
  404    H    GLY  55           HN       GLY  55  -1.168   0.894  -6.679
  405    HA2  GLY  55           HA2      GLY  55  -0.792  -1.847  -7.529
  406    HA3  GLY  55           HA1      GLY  55   0.068  -0.664  -8.512
  407    H    ILE  56           HN       ILE  56   1.308  -2.622  -7.290
  408    HA   ILE  56           HA       ILE  56   3.120  -1.369  -5.308
  409    HB   ILE  56           HB       ILE  56   1.979  -4.199  -5.188
  410   HG12  ILE  56          HG12      ILE  56   1.542  -1.891  -3.274
  411   HG13  ILE  56          HG11      ILE  56   0.347  -2.504  -4.445
  412   HG21  ILE  56          HG21      ILE  56   4.002  -2.796  -3.474
  413   HG22  ILE  56          HG22      ILE  56   4.201  -4.280  -4.408
  414   HG23  ILE  56          HG23      ILE  56   3.166  -4.267  -2.980
  415   HD11  ILE  56          HD11      ILE  56   1.397  -3.801  -1.959
  416   HD12  ILE  56          HD12      ILE  56   0.660  -4.752  -3.249
  417   HD13  ILE  56          HD13      ILE  56  -0.272  -3.489  -2.438
  418    H    PHE  57           HN       PHE  57   4.896  -1.255  -6.608
  419    HA   PHE  57           HA       PHE  57   5.333  -3.447  -8.509
  420    HB2  PHE  57           HB2      PHE  57   6.525  -0.674  -8.699
  421    HB3  PHE  57           HB1      PHE  57   6.375  -1.890  -9.980
  422    HD1  PHE  57           HD1      PHE  57   4.585  -1.802 -11.449
  423    HD2  PHE  57           HD2      PHE  57   4.314   0.317  -7.759
  424    HE1  PHE  57           HE1      PHE  57   2.490  -0.744 -12.188
  425    HE2  PHE  57           HE2      PHE  57   2.231   1.327  -8.476
  426    HZ   PHE  57           HZ       PHE  57   1.319   0.830 -10.688
  427    H    VAL  58           HN       VAL  58   6.843  -4.852  -7.847
  428    HA   VAL  58           HA       VAL  58   9.271  -3.711  -6.686
  429    HB   VAL  58           HB       VAL  58   8.843  -5.322  -5.126
  430   HG11  VAL  58          HG11      VAL  58   7.594  -7.194  -5.324
  431   HG12  VAL  58          HG12      VAL  58   8.008  -7.438  -7.025
  432   HG13  VAL  58          HG13      VAL  58   6.866  -6.172  -6.566
  433   HG21  VAL  58          HG21      VAL  58  10.956  -5.832  -6.659
  434   HG22  VAL  58          HG22      VAL  58  10.064  -7.332  -6.918
  435   HG23  VAL  58          HG23      VAL  58  10.510  -6.842  -5.283
  436    H    ASN  59           HN       ASN  59  10.896  -3.411  -7.915
  437    HA   ASN  59           HA       ASN  59  12.282  -3.394  -9.706
  438    HB2  ASN  59           HB2      ASN  59  11.868  -6.371  -9.376
  439    HB3  ASN  59           HB1      ASN  59  13.115  -5.649 -10.423
  440   HD21  ASN  59          HD21      ASN  59  15.024  -5.608  -9.513
  441   HD22  ASN  59          HD22      ASN  59  15.362  -5.417  -7.828
  442    H    GLY  60           HN       GLY  60   9.988  -2.590 -10.629
  443    HA2  GLY  60           HA2      GLY  60   8.810  -2.276 -12.550
  444    HA3  GLY  60           HA1      GLY  60  10.079  -3.222 -13.355
  445    H    GLU  61           HN       GLU  61   7.689  -4.048 -10.893
  446    HA   GLU  61           HA       GLU  61   6.151  -5.652 -12.723
  447    HB2  GLU  61           HB2      GLU  61   8.029  -7.166 -12.162
  448    HB3  GLU  61           HB1      GLU  61   7.648  -6.988 -10.452
  449    HG2  GLU  61           HG2      GLU  61   5.470  -8.024 -10.825
  450    HG3  GLU  61           HG1      GLU  61   5.853  -8.208 -12.542
  451    H    LYS  62           HN       LYS  62   4.143  -5.103 -12.158
  452    HA   LYS  62           HA       LYS  62   3.553  -4.292  -9.447
  453    HB2  LYS  62           HB2      LYS  62   2.526  -3.094 -11.346
  454    HB3  LYS  62           HB1      LYS  62   1.711  -4.598 -11.838
  455    HG2  LYS  62           HG2      LYS  62   0.360  -4.593  -9.868
  456    HG3  LYS  62           HG1      LYS  62   1.295  -3.248  -9.167
  457    HD2  LYS  62           HD2      LYS  62  -0.842  -2.467 -10.054
  458    HD3  LYS  62           HD1      LYS  62   0.509  -1.774 -10.954
  459    HE2  LYS  62           HE2      LYS  62   0.164  -3.441 -12.728
  460    HE3  LYS  62           HE1      LYS  62  -1.200  -4.109 -11.826
  461    HZ1  LYS  62           HZ1      LYS  62  -0.997  -1.593 -13.323
  462    HZ2  LYS  62           HZ2      LYS  62  -1.983  -1.617 -11.944
  463    HZ3  LYS  62           HZ3      LYS  62  -2.297  -2.688 -13.214
  464    H    VAL  63           HN       VAL  63   3.639  -5.953  -8.090
  465    HA   VAL  63           HA       VAL  63   2.720  -8.560  -8.832
  466    HB   VAL  63           HB       VAL  63   3.422  -9.233  -6.611
  467   HG11  VAL  63          HG11      VAL  63   5.811  -8.820  -6.948
  468   HG12  VAL  63          HG12      VAL  63   5.420  -7.551  -8.108
  469   HG13  VAL  63          HG13      VAL  63   4.998  -9.228  -8.458
  470   HG21  VAL  63          HG21      VAL  63   4.905  -7.024  -5.729
  471   HG22  VAL  63          HG22      VAL  63   3.485  -7.733  -4.957
  472   HG23  VAL  63          HG23      VAL  63   3.295  -6.403  -6.100
  473    H    TYR  64           HN       TYR  64   1.233  -5.874  -7.290
  474    HA   TYR  64           HA       TYR  64  -1.139  -7.501  -6.958
  475    HB2  TYR  64           HB2      TYR  64  -0.001  -7.594  -4.748
  476    HB3  TYR  64           HB1      TYR  64  -0.122  -5.820  -4.667
  477    HD1  TYR  64           HD1      TYR  64  -2.515  -8.527  -5.644
  478    HD2  TYR  64           HD2      TYR  64  -1.732  -5.217  -3.088
  479    HE1  TYR  64           HE1      TYR  64  -4.756  -8.753  -4.666
  480    HE2  TYR  64           HE2      TYR  64  -3.961  -5.432  -2.108
  481    HH   TYR  64           HH       TYR  64  -5.698  -7.797  -1.992
  482    H    THR  65           HN       THR  65  -2.896  -6.455  -7.607
  483    HA   THR  65           HA       THR  65  -2.834  -3.531  -7.760
  484    HB   THR  65           HB       THR  65  -4.347  -5.383  -9.478
  485    HG1  THR  65           HG1      THR  65  -2.477  -5.516 -10.423
  486   HG21  THR  65          HG21      THR  65  -5.609  -3.683 -10.118
  487   HG22  THR  65          HG22      THR  65  -4.154  -2.873 -10.697
  488   HG23  THR  65          HG23      THR  65  -4.714  -2.604  -9.048
  489    H    PHE  66           HN       PHE  66  -4.291  -2.537  -6.452
  490    HA   PHE  66           HA       PHE  66  -6.732  -4.042  -5.861
  491    HB2  PHE  66           HB2      PHE  66  -6.731  -3.361  -3.530
  492    HB3  PHE  66           HB1      PHE  66  -5.315  -4.372  -3.935
  493    HD1  PHE  66           HD1      PHE  66  -3.179  -3.643  -3.354
  494    HD2  PHE  66           HD2      PHE  66  -6.388  -0.843  -3.357
  495    HE1  PHE  66           HE1      PHE  66  -1.740  -1.996  -2.228
  496    HE2  PHE  66           HE2      PHE  66  -4.949   0.810  -2.247
  497    HZ   PHE  66           HZ       PHE  66  -2.613   0.244  -1.680
  498    H    ASN  67           HN       ASN  67  -8.442  -2.693  -4.986
  499    HA   ASN  67           HA       ASN  67  -8.304   0.028  -6.095
  500    HB2  ASN  67           HB2      ASN  67 -10.561  -1.981  -6.364
  501    HB3  ASN  67           HB1      ASN  67 -10.630  -0.301  -6.908
  502   HD21  ASN  67          HD21      ASN  67 -10.211  -3.368  -7.903
  503   HD22  ASN  67          HD22      ASN  67  -9.281  -3.096  -9.336
  504    H    GLU  68           HN       GLU  68  -9.442   1.597  -4.922
  505    HA   GLU  68           HA       GLU  68 -10.085   0.919  -2.210
  506    HB2  GLU  68           HB2      GLU  68 -10.625   3.514  -3.633
  507    HB3  GLU  68           HB1      GLU  68 -10.504   3.228  -1.906
  508    HG2  GLU  68           HG2      GLU  68  -8.249   2.882  -3.861
  509    HG3  GLU  68           HG1      GLU  68  -8.494   4.290  -2.811
  510    H    LYS  69           HN       LYS  69 -11.631   1.006  -5.186
  511    HA   LYS  69           HA       LYS  69 -14.394   1.230  -4.530
  512    HB2  LYS  69           HB2      LYS  69 -13.062  -0.600  -6.547
  513    HB3  LYS  69           HB1      LYS  69 -14.705   0.076  -6.626
  514    HG2  LYS  69           HG2      LYS  69 -13.752   2.321  -6.846
  515    HG3  LYS  69           HG1      LYS  69 -12.125   1.589  -6.907
  516    HD2  LYS  69           HD2      LYS  69 -14.394   0.999  -8.806
  517    HD3  LYS  69           HD1      LYS  69 -12.999   2.009  -9.169
  518    HE2  LYS  69           HE2      LYS  69 -11.534   0.051  -8.815
  519    HE3  LYS  69           HE1      LYS  69 -12.962  -0.941  -8.523
  520    HZ1  LYS  69           HZ1      LYS  69 -13.651  -0.718 -10.740
  521    HZ2  LYS  69           HZ2      LYS  69 -11.979  -1.003 -10.838
  522    HZ3  LYS  69           HZ3      LYS  69 -12.582   0.569 -11.047
  523    H    SER  70           HN       SER  70 -12.050  -1.278  -4.889
  524    HA   SER  70           HA       SER  70 -13.548  -3.373  -3.629
  525    HB2  SER  70           HB2      SER  70 -10.635  -3.242  -4.421
  526    HB3  SER  70           HB1      SER  70 -11.569  -4.711  -4.010
  527    HG   SER  70           HG       SER  70 -11.621  -4.655  -6.186
  528    H    THR  71           HN       THR  71 -13.752  -1.618  -1.874
  529    HA   THR  71           HA       THR  71 -12.672  -0.437  -0.029
  530    HB   THR  71           HB       THR  71 -13.601  -1.834   1.751
  531    HG1  THR  71           HG1      THR  71 -12.984  -3.825   0.351
  532   HG21  THR  71          HG21      THR  71 -15.679  -2.238  -0.237
  533   HG22  THR  71          HG22      THR  71 -14.965  -0.627  -0.313
  534   HG23  THR  71          HG23      THR  71 -15.672  -1.207   1.196
  535    H    VAL  72           HN       VAL  72 -10.713  -0.161   0.839
  536    HA   VAL  72           HA       VAL  72  -8.549  -1.753   0.938
  537    HB   VAL  72           HB       VAL  72  -8.133  -0.346   3.199
  538   HG11  VAL  72          HG11      VAL  72  -7.710   1.623   1.476
  539   HG12  VAL  72          HG12      VAL  72  -7.991   0.343   0.295
  540   HG13  VAL  72          HG13      VAL  72  -6.696   0.180   1.485
  541   HG21  VAL  72          HG21      VAL  72 -10.666   0.372   2.806
  542   HG22  VAL  72          HG22      VAL  72  -9.912   1.510   1.676
  543   HG23  VAL  72          HG23      VAL  72  -9.461   1.524   3.390
  544    H    GLY  73           HN       GLY  73 -11.420  -2.041   2.739
  545    HA2  GLY  73           HA2      GLY  73 -10.565  -3.445   5.022
  546    HA3  GLY  73           HA1      GLY  73 -12.136  -3.525   4.255
  547    H    ASN  74           HN       ASN  74 -12.166  -4.809   2.158
  548    HA   ASN  74           HA       ASN  74 -11.434  -7.462   2.916
  549    HB2  ASN  74           HB2      ASN  74 -12.515  -6.418   0.277
  550    HB3  ASN  74           HB1      ASN  74 -12.369  -8.131   0.700
  551   HD21  ASN  74          HD21      ASN  74 -14.285  -8.947   1.125
  552   HD22  ASN  74          HD22      ASN  74 -15.547  -8.166   2.034
  553    H    ILE  75           HN       ILE  75  -9.877  -5.030   1.152
  554    HA   ILE  75           HA       ILE  75  -8.169  -6.805  -0.354
  555    HB   ILE  75           HB       ILE  75  -8.152  -3.887   0.142
  556   HG12  ILE  75          HG12      ILE  75  -9.904  -4.844  -1.308
  557   HG13  ILE  75          HG11      ILE  75  -8.825  -3.778  -2.229
  558   HG21  ILE  75          HG21      ILE  75  -5.832  -5.000  -0.184
  559   HG22  ILE  75          HG22      ILE  75  -6.237  -3.549  -1.102
  560   HG23  ILE  75          HG23      ILE  75  -6.339  -5.136  -1.867
  561   HD11  ILE  75          HD11      ILE  75  -8.546  -5.438  -3.662
  562   HD12  ILE  75          HD12      ILE  75  -9.467  -6.537  -2.636
  563   HD13  ILE  75          HD13      ILE  75  -7.729  -6.357  -2.398
  564    H    SER  76           HN       SER  76  -7.879  -4.892   2.597
  565    HA   SER  76           HA       SER  76  -5.117  -5.598   2.893
  566    HB2  SER  76           HB2      SER  76  -5.802  -3.542   3.872
  567    HB3  SER  76           HB1      SER  76  -7.071  -4.332   4.817
  568    HG   SER  76           HG       SER  76  -5.366  -5.431   5.948
  569    H    ASN  77           HN       ASN  77  -8.052  -7.169   3.613
  570    HA   ASN  77           HA       ASN  77  -6.937  -9.031   5.501
  571    HB2  ASN  77           HB2      ASN  77  -9.276  -9.301   3.597
  572    HB3  ASN  77           HB1      ASN  77  -8.783 -10.551   4.744
  573   HD21  ASN  77          HD21      ASN  77 -11.059  -8.406   4.304
  574   HD22  ASN  77          HD22      ASN  77 -11.366  -7.890   5.931
  575    H    ASP  78           HN       ASP  78  -7.012  -8.534   2.053
  576    HA   ASP  78           HA       ASP  78  -5.764 -11.065   1.452
  577    HB2  ASP  78           HB2      ASP  78  -6.346  -8.644  -0.249
  578    HB3  ASP  78           HB1      ASP  78  -5.492 -10.075  -0.869
  579    H    ILE  79           HN       ILE  79  -4.614  -7.879   2.231
  580    HA   ILE  79           HA       ILE  79  -2.134  -8.187   0.901
  581    HB   ILE  79           HB       ILE  79  -2.722  -6.311   3.227
  582   HG12  ILE  79          HG12      ILE  79  -2.977  -5.921   0.226
  583   HG13  ILE  79          HG11      ILE  79  -4.338  -6.113   1.353
  584   HG21  ILE  79          HG21      ILE  79  -0.848  -5.072   2.524
  585   HG22  ILE  79          HG22      ILE  79  -0.767  -5.895   0.969
  586   HG23  ILE  79          HG23      ILE  79  -0.297  -6.746   2.439
  587   HD11  ILE  79          HD11      ILE  79  -4.175  -3.819   0.900
  588   HD12  ILE  79          HD12      ILE  79  -2.418  -3.818   1.090
  589   HD13  ILE  79          HD13      ILE  79  -3.458  -4.030   2.500
  590    H    ASN  80           HN       ASN  80  -3.315  -9.389   3.876
  591    HA   ASN  80           HA       ASN  80  -0.789  -9.799   5.124
  592    HB2  ASN  80           HB2      ASN  80  -3.498 -11.031   5.599
  593    HB3  ASN  80           HB1      ASN  80  -2.078 -11.391   6.559
  594   HD21  ASN  80          HD21      ASN  80  -1.784 -10.221   8.307
  595   HD22  ASN  80          HD22      ASN  80  -2.482  -8.660   8.614
  596    H    LYS  81           HN       LYS  81  -2.889 -11.754   3.024
  597    HA   LYS  81           HA       LYS  81  -1.132 -14.004   3.172
  598    HB2  LYS  81           HB2      LYS  81  -2.443 -14.813   1.129
  599    HB3  LYS  81           HB1      LYS  81  -3.276 -14.694   2.668
  600    HG2  LYS  81           HG2      LYS  81  -3.414 -12.385   0.821
  601    HG3  LYS  81           HG1      LYS  81  -4.369 -13.835   0.448
  602    HD2  LYS  81           HD2      LYS  81  -4.432 -12.234   3.009
  603    HD3  LYS  81           HD1      LYS  81  -5.666 -12.239   1.751
  604    HE2  LYS  81           HE2      LYS  81  -4.854 -14.610   3.429
  605    HE3  LYS  81           HE1      LYS  81  -6.306 -13.635   3.654
  606    HZ1  LYS  81           HZ1      LYS  81  -6.049 -14.628   0.972
  607    HZ2  LYS  81           HZ2      LYS  81  -7.359 -14.729   2.047
  608    HZ3  LYS  81           HZ3      LYS  81  -6.108 -15.876   2.122
  609    H    LEU  82           HN       LEU  82  -1.817 -11.618   0.577
  610    HA   LEU  82           HA       LEU  82   0.012 -12.398  -1.294
  611    HB2  LEU  82           HB2      LEU  82  -1.049  -9.763  -0.454
  612    HB3  LEU  82           HB1      LEU  82   0.226  -9.848  -1.684
  613    HG   LEU  82           HG       LEU  82  -2.078  -9.750  -2.573
  614   HD11  LEU  82          HD11      LEU  82  -1.024 -10.592  -4.336
  615   HD12  LEU  82          HD12      LEU  82  -1.538 -12.188  -3.793
  616   HD13  LEU  82          HD13      LEU  82   0.028 -11.548  -3.292
  617   HD21  LEU  82          HD21      LEU  82  -2.351 -12.524  -1.500
  618   HD22  LEU  82          HD22      LEU  82  -3.485 -11.718  -2.584
  619   HD23  LEU  82          HD23      LEU  82  -3.246 -11.107  -0.946
  620    H    ASN  83           HN       ASN  83   0.604 -10.738   1.716
  621    HA   ASN  83           HA       ASN  83   2.522  -9.976   2.753
  622    HB2  ASN  83           HB2      ASN  83   2.430 -12.436   3.090
  623    HB3  ASN  83           HB1      ASN  83   3.447 -12.650   1.664
  624   HD21  ASN  83          HD21      ASN  83   4.462  -9.896   3.227
  625   HD22  ASN  83          HD22      ASN  83   5.733 -10.592   4.185
  626    H    ILE  84           HN       ILE  84   2.704  -8.332   0.890
  627    HA   ILE  84           HA       ILE  84   4.877  -8.928  -0.922
  628    HB   ILE  84           HB       ILE  84   3.149  -6.473  -0.819
  629   HG12  ILE  84          HG12      ILE  84   1.831  -8.513  -1.282
  630   HG13  ILE  84          HG11      ILE  84   1.926  -7.455  -2.710
  631   HG21  ILE  84          HG21      ILE  84   3.951  -6.462  -3.306
  632   HG22  ILE  84          HG22      ILE  84   5.281  -7.428  -2.670
  633   HG23  ILE  84          HG23      ILE  84   4.985  -5.808  -2.037
  634   HD11  ILE  84          HD11      ILE  84   2.942 -10.176  -2.287
  635   HD12  ILE  84          HD12      ILE  84   4.049  -9.084  -3.122
  636   HD13  ILE  84          HD13      ILE  84   2.432  -9.363  -3.767
  637    H    LYS  85           HN       LYS  85   6.803  -8.773   0.122
  638    HA   LYS  85           HA       LYS  85   7.491  -6.113   1.115
  639    HB2  LYS  85           HB2      LYS  85   6.820  -7.633   3.009
  640    HB3  LYS  85           HB1      LYS  85   8.190  -8.650   2.585
  641    HG2  LYS  85           HG2      LYS  85   8.612  -7.133   4.466
  642    HG3  LYS  85           HG1      LYS  85   9.734  -6.911   3.113
  643    HD2  LYS  85           HD2      LYS  85   8.334  -5.021   2.333
  644    HD3  LYS  85           HD1      LYS  85   7.325  -5.213   3.773
  645    HE2  LYS  85           HE2      LYS  85   9.259  -4.778   5.197
  646    HE3  LYS  85           HE1      LYS  85  10.283  -4.610   3.772
  647    HZ1  LYS  85           HZ1      LYS  85   8.013  -2.845   4.533
  648    HZ2  LYS  85           HZ2      LYS  85   8.910  -2.707   3.089
  649    HZ3  LYS  85           HZ3      LYS  85   9.669  -2.461   4.588
  650    H    GLY  86           HN       GLY  86   8.771  -5.714  -0.610
  651    HA2  GLY  86           HA2      GLY  86  10.752  -5.574  -1.754
  652    HA3  GLY  86           HA1      GLY  86  11.457  -6.613  -0.497
  653    HA   PRO  87           HA       PRO  87  12.968  -6.099  -2.176
  654    HB2  PRO  87           HB2      PRO  87  14.141  -5.979  -4.607
  655    HB3  PRO  87           HB1      PRO  87  14.461  -7.232  -3.415
  656    HG2  PRO  87           HG2      PRO  87  12.781  -7.316  -5.869
  657    HG3  PRO  87           HG1      PRO  87  13.849  -8.565  -5.201
  658    HD2  PRO  87           HD2      PRO  87  11.085  -8.516  -4.887
  659    HD3  PRO  87           HD1      PRO  87  12.232  -9.388  -3.822
  660    H    TYR  88           HN       TYR  88  13.717  -4.086  -3.679
  661    HA   TYR  88           HA       TYR  88  12.524  -1.937  -3.474
  662    HB2  TYR  88           HB2      TYR  88  13.173  -2.801  -6.303
  663    HB3  TYR  88           HB1      TYR  88  12.891  -1.104  -5.790
  664    HD1  TYR  88           HD1      TYR  88  14.795   0.136  -5.534
  665    HD2  TYR  88           HD2      TYR  88  14.995  -4.020  -4.657
  666    HE1  TYR  88           HE1      TYR  88  17.184   0.366  -5.014
  667    HE2  TYR  88           HE2      TYR  88  17.382  -3.798  -4.123
  668    HH   TYR  88           HH       TYR  88  19.280  -1.754  -5.047
  669    H    ILE  89           HN       ILE  89  10.380  -1.901  -2.904
  670    HA   ILE  89           HA       ILE  89   8.372  -2.448  -4.985
  671    HB   ILE  89           HB       ILE  89   8.072  -2.058  -1.999
  672   HG12  ILE  89          HG12      ILE  89   7.675  -4.501  -3.775
  673   HG13  ILE  89          HG11      ILE  89   9.077  -4.269  -2.697
  674   HG21  ILE  89          HG21      ILE  89   5.735  -2.791  -2.401
  675   HG22  ILE  89          HG22      ILE  89   6.020  -2.593  -4.130
  676   HG23  ILE  89          HG23      ILE  89   6.124  -1.199  -3.053
  677   HD11  ILE  89          HD11      ILE  89   7.589  -4.309  -0.779
  678   HD12  ILE  89          HD12      ILE  89   7.370  -5.758  -1.762
  679   HD13  ILE  89          HD13      ILE  89   6.187  -4.453  -1.837
  680    H    GLU  90           HN       GLU  90   6.942  -0.987  -5.680
  681    HA   GLU  90           HA       GLU  90   7.095   1.742  -4.595
  682    HB2  GLU  90           HB2      GLU  90   6.315   0.997  -7.423
  683    HB3  GLU  90           HB1      GLU  90   6.447   2.632  -6.754
  684    HG2  GLU  90           HG2      GLU  90   8.844   2.328  -6.470
  685    HG3  GLU  90           HG1      GLU  90   8.722   0.689  -7.114
  686    H    ILE  91           HN       ILE  91   5.443   1.588  -3.193
  687    HA   ILE  91           HA       ILE  91   2.871   0.510  -3.995
  688    HB   ILE  91           HB       ILE  91   3.925   1.485  -1.339
  689   HG12  ILE  91          HG12      ILE  91   3.377  -1.274  -2.407
  690   HG13  ILE  91          HG11      ILE  91   4.935  -0.592  -1.950
  691   HG21  ILE  91          HG21      ILE  91   1.323   0.056  -1.748
  692   HG22  ILE  91          HG22      ILE  91   1.467   1.807  -1.568
  693   HG23  ILE  91          HG23      ILE  91   1.963   0.743  -0.258
  694   HD11  ILE  91          HD11      ILE  91   4.082  -2.159  -0.282
  695   HD12  ILE  91          HD12      ILE  91   2.656  -1.142  -0.065
  696   HD13  ILE  91          HD13      ILE  91   4.253  -0.531   0.372
  697    H    LYS  92           HN       LYS  92   1.869   2.023  -5.308
  698    HA   LYS  92           HA       LYS  92   0.979   4.456  -4.073
  699    HB2  LYS  92           HB2      LYS  92   2.151   6.048  -5.199
  700    HB3  LYS  92           HB1      LYS  92   3.378   4.779  -5.258
  701    HG2  LYS  92           HG2      LYS  92   1.402   5.408  -7.449
  702    HG3  LYS  92           HG1      LYS  92   3.075   5.954  -7.398
  703    HD2  LYS  92           HD2      LYS  92   3.859   3.666  -7.615
  704    HD3  LYS  92           HD1      LYS  92   2.197   3.069  -7.489
  705    HE2  LYS  92           HE2      LYS  92   1.593   3.909  -9.593
  706    HE3  LYS  92           HE1      LYS  92   2.922   5.057  -9.591
  707    HZ1  LYS  92           HZ1      LYS  92   4.396   3.557 -10.360
  708    HZ2  LYS  92           HZ2      LYS  92   2.985   2.928 -11.068
  709    HZ3  LYS  92           HZ3      LYS  92   3.608   2.232  -9.653
  710    H    GLN  93           HN       GLN  93  -0.479   5.712  -5.611
  711    HA   GLN  93           HA       GLN  93  -2.083   3.812  -7.068
  712    HB2  GLN  93           HB2      GLN  93  -3.691   5.477  -7.416
  713    HB3  GLN  93           HB1      GLN  93  -3.180   5.558  -5.727
  714    HG2  GLN  93           HG2      GLN  93  -2.112   7.342  -7.870
  715    HG3  GLN  93           HG1      GLN  93  -3.518   7.733  -6.902
  716   HE21  GLN  93          HE21      GLN  93  -3.173   8.902  -5.156
  717   HE22  GLN  93          HE22      GLN  93  -1.661   9.092  -4.336
  718    H    ILE  94           HN       ILE  94  -2.857   4.305  -9.210
  719    HA   ILE  94           HA       ILE  94  -0.645   5.283 -10.883
  720    HB   ILE  94           HB       ILE  94  -1.288   3.409 -12.393
  721   HG12  ILE  94          HG12      ILE  94  -2.870   2.640  -9.934
  722   HG13  ILE  94          HG11      ILE  94  -3.502   3.006 -11.537
  723   HG21  ILE  94          HG21      ILE  94   0.150   3.330  -9.893
  724   HG22  ILE  94          HG22      ILE  94   0.567   2.615 -11.452
  725   HG23  ILE  94          HG23      ILE  94  -0.478   1.740 -10.329
  726   HD11  ILE  94          HD11      ILE  94  -2.810   0.533 -10.467
  727   HD12  ILE  94          HD12      ILE  94  -1.611   0.885 -11.714
  728   HD13  ILE  94          HD13      ILE  94  -3.330   0.888 -12.115
  Start of MODEL   25
    1    H    ASP   1           HT1      ASP   1  20.461  15.819  -1.657
    2    HA   ASP   1           HA       ASP   1  18.471  15.661   0.395
    3    HB2  ASP   1           HB2      ASP   1  18.388  15.869  -2.629
    4    HB3  ASP   1           HB1      ASP   1  16.998  16.077  -1.569
    5    H    ASN   2           HN       ASN   2  17.392  14.291  -2.486
    6    HA   ASN   2           HA       ASN   2  17.413  11.606  -1.279
    7    HB2  ASN   2           HB2      ASN   2  15.219  12.950  -2.853
    8    HB3  ASN   2           HB1      ASN   2  15.253  11.219  -2.532
    9   HD21  ASN   2          HD21      ASN   2  14.000  14.044  -1.516
   10   HD22  ASN   2          HD22      ASN   2  13.689  13.649   0.140
   11    H    GLN   3           HN       GLN   3  19.536  12.039  -2.737
   12    HA   GLN   3           HA       GLN   3  19.059  11.167  -5.477
   13    HB2  GLN   3           HB2      GLN   3  21.658  11.514  -3.962
   14    HB3  GLN   3           HB1      GLN   3  21.518  11.137  -5.673
   15    HG2  GLN   3           HG2      GLN   3  20.567  13.663  -4.338
   16    HG3  GLN   3           HG1      GLN   3  22.023  13.487  -5.316
   17   HE21  GLN   3          HE21      GLN   3  21.836  14.146  -7.322
   18   HE22  GLN   3          HE22      GLN   3  20.378  14.201  -8.251
   19    H    LYS   4           HN       LYS   4  19.369   9.873  -2.402
   20    HA   LYS   4           HA       LYS   4  20.033   7.192  -3.427
   21    HB2  LYS   4           HB2      LYS   4  21.475   8.040  -1.603
   22    HB3  LYS   4           HB1      LYS   4  20.054   8.265  -0.592
   23    HG2  LYS   4           HG2      LYS   4  19.653   5.818  -0.708
   24    HG3  LYS   4           HG1      LYS   4  21.176   5.653  -1.586
   25    HD2  LYS   4           HD2      LYS   4  20.841   6.783   1.192
   26    HD3  LYS   4           HD1      LYS   4  21.462   5.179   0.794
   27    HE2  LYS   4           HE2      LYS   4  23.341   6.201  -0.393
   28    HE3  LYS   4           HE1      LYS   4  22.717   7.807  -0.007
   29    HZ1  LYS   4           HZ1      LYS   4  24.522   6.991   1.488
   30    HZ2  LYS   4           HZ2      LYS   4  23.455   5.796   2.052
   31    HZ3  LYS   4           HZ3      LYS   4  23.093   7.437   2.295
   32    H    ALA   5           HN       ALA   5  17.562   9.215  -2.365
   33    HA   ALA   5           HA       ALA   5  15.351   8.972  -1.910
   34    HB1  ALA   5           HB1      ALA   5  15.919   6.722  -3.535
   35    HB2  ALA   5           HB2      ALA   5  14.363   7.504  -3.252
   36    HB3  ALA   5           HB3      ALA   5  14.888   6.180  -2.211
   37    H    LEU   6           HN       LEU   6  16.656   9.256   0.216
   38    HA   LEU   6           HA       LEU   6  16.824   7.024   1.969
   39    HB2  LEU   6           HB2      LEU   6  18.258   9.094   2.011
   40    HB3  LEU   6           HB1      LEU   6  16.890   9.971   2.658
   41    HG   LEU   6           HG       LEU   6  18.163   7.625   4.083
   42   HD11  LEU   6          HD11      LEU   6  19.851   9.306   3.858
   43   HD12  LEU   6          HD12      LEU   6  19.216   9.382   5.502
   44   HD13  LEU   6          HD13      LEU   6  18.714  10.578   4.307
   45   HD21  LEU   6          HD21      LEU   6  17.108   8.698   6.066
   46   HD22  LEU   6          HD22      LEU   6  15.947   8.075   4.892
   47   HD23  LEU   6          HD23      LEU   6  16.280   9.807   4.971
   48    H    GLU   7           HN       GLU   7  14.347   9.351   1.247
   49    HA   GLU   7           HA       GLU   7  12.814   9.143   3.592
   50    HB2  GLU   7           HB2      GLU   7  11.941   9.767   0.775
   51    HB3  GLU   7           HB1      GLU   7  10.928   9.962   2.197
   52    HG2  GLU   7           HG2      GLU   7  12.543  11.582   3.096
   53    HG3  GLU   7           HG1      GLU   7  13.502  11.412   1.625
   54    H    GLU   8           HN       GLU   8  13.534   6.605   1.646
   55    HA   GLU   8           HA       GLU   8  11.148   5.405   0.984
   56    HB2  GLU   8           HB2      GLU   8  12.400   3.251   1.039
   57    HB3  GLU   8           HB1      GLU   8  13.198   4.529   0.137
   58    HG2  GLU   8           HG2      GLU   8  14.684   4.937   2.029
   59    HG3  GLU   8           HG1      GLU   8  13.884   3.653   2.933
   60    H    GLN   9           HN       GLN   9  12.933   4.912   4.066
   61    HA   GLN   9           HA       GLN   9  10.478   3.689   5.122
   62    HB2  GLN   9           HB2      GLN   9  11.751   2.931   7.039
   63    HB3  GLN   9           HB1      GLN   9  12.547   2.421   5.562
   64    HG2  GLN   9           HG2      GLN   9  13.375   4.774   7.251
   65    HG3  GLN   9           HG1      GLN   9  14.106   3.173   7.307
   66   HE21  GLN   9          HE21      GLN   9  14.427   6.178   6.108
   67   HE22  GLN   9          HE22      GLN   9  15.386   5.858   4.703
   68    H    MET  10           HN       MET  10  11.227   6.632   4.589
   69    HA   MET  10           HA       MET  10  10.854   7.668   7.314
   70    HB2  MET  10           HB2      MET  10  11.641   9.122   4.781
   71    HB3  MET  10           HB1      MET  10  11.484   9.862   6.366
   72    HG2  MET  10           HG2      MET  10  13.441   7.699   5.622
   73    HG3  MET  10           HG1      MET  10  13.808   9.414   5.805
   74    HE1  MET  10           HE1      MET  10  13.484  10.090   9.542
   75    HE2  MET  10           HE2      MET  10  11.980  10.069   8.620
   76    HE3  MET  10           HE3      MET  10  13.446  10.735   7.901
   77    H    ASN  11           HN       ASN  11   9.774   8.855   4.131
   78    HA   ASN  11           HA       ASN  11   7.135   9.382   5.335
   79    HB2  ASN  11           HB2      ASN  11   8.396  10.402   2.792
   80    HB3  ASN  11           HB1      ASN  11   6.688  10.613   3.186
   81   HD21  ASN  11          HD21      ASN  11   6.256  12.520   4.044
   82   HD22  ASN  11          HD22      ASN  11   7.324  13.494   4.990
   83    H    SER  12           HN       SER  12   8.771   7.975   2.643
   84    HA   SER  12           HA       SER  12   6.917   7.379   0.912
   85    HB2  SER  12           HB2      SER  12   9.269   6.733   0.696
   86    HB3  SER  12           HB1      SER  12   9.044   5.477   1.937
   87    HG   SER  12           HG       SER  12   8.603   4.247   0.276
   88    H    ILE  13           HN       ILE  13   7.680   5.181   3.559
   89    HA   ILE  13           HA       ILE  13   5.372   3.525   3.022
   90    HB   ILE  13           HB       ILE  13   7.626   3.308   5.013
   91   HG12  ILE  13          HG12      ILE  13   7.176   2.016   2.328
   92   HG13  ILE  13          HG11      ILE  13   8.319   3.329   2.716
   93   HG21  ILE  13          HG21      ILE  13   5.237   1.923   5.105
   94   HG22  ILE  13          HG22      ILE  13   6.762   1.384   5.813
   95   HG23  ILE  13          HG23      ILE  13   6.295   0.835   4.204
   96   HD11  ILE  13          HD11      ILE  13   8.995   0.726   2.600
   97   HD12  ILE  13          HD12      ILE  13   8.573   0.851   4.308
   98   HD13  ILE  13          HD13      ILE  13   9.816   1.902   3.627
   99    H    ASN  14           HN       ASN  14   6.017   6.196   4.890
  100    HA   ASN  14           HA       ASN  14   4.033   5.474   6.941
  101    HB2  ASN  14           HB2      ASN  14   5.815   7.902   6.722
  102    HB3  ASN  14           HB1      ASN  14   4.548   7.732   7.930
  103   HD21  ASN  14          HD21      ASN  14   5.687   4.707   7.382
  104   HD22  ASN  14          HD22      ASN  14   6.878   4.617   8.631
  105    H    SER  15           HN       SER  15   4.583   8.243   4.738
  106    HA   SER  15           HA       SER  15   1.969   9.233   4.990
  107    HB2  SER  15           HB2      SER  15   2.451  10.638   3.050
  108    HB3  SER  15           HB1      SER  15   3.764  10.676   4.232
  109    HG   SER  15           HG       SER  15   4.832   9.075   2.905
  110    H    VAL  16           HN       VAL  16   3.133   6.519   3.276
  111    HA   VAL  16           HA       VAL  16   1.319   6.448   1.115
  112    HB   VAL  16           HB       VAL  16   3.224   4.874   1.284
  113   HG11  VAL  16          HG11      VAL  16   2.082   2.858   2.912
  114   HG12  VAL  16          HG12      VAL  16   2.165   4.355   3.840
  115   HG13  VAL  16          HG13      VAL  16   3.621   3.695   3.097
  116   HG21  VAL  16          HG21      VAL  16   0.683   3.259   1.265
  117   HG22  VAL  16          HG22      VAL  16   2.156   3.019   0.312
  118   HG23  VAL  16          HG23      VAL  16   1.093   4.384  -0.038
  119    H    ASN  17           HN       ASN  17   1.089   5.791   4.468
  120    HA   ASN  17           HA       ASN  17  -1.464   4.473   4.459
  121    HB2  ASN  17           HB2      ASN  17  -0.059   5.960   6.703
  122    HB3  ASN  17           HB1      ASN  17  -1.463   4.922   6.891
  123   HD21  ASN  17          HD21      ASN  17   0.363   3.468   4.598
  124   HD22  ASN  17          HD22      ASN  17   1.331   2.438   5.596
  125    H    ASP  18           HN       ASP  18  -0.236   7.714   4.860
  126    HA   ASP  18           HA       ASP  18  -2.558   9.043   5.644
  127    HB2  ASP  18           HB2      ASP  18  -0.178   9.982   4.032
  128    HB3  ASP  18           HB1      ASP  18  -1.404  11.072   4.651
  129    H    LYS  19           HN       LYS  19  -1.878   7.612   2.608
  130    HA   LYS  19           HA       LYS  19  -3.655   9.365   1.112
  131    HB2  LYS  19           HB2      LYS  19  -2.330   6.834   0.267
  132    HB3  LYS  19           HB1      LYS  19  -3.030   8.087  -0.769
  133    HG2  LYS  19           HG2      LYS  19  -1.387   9.630  -0.259
  134    HG3  LYS  19           HG1      LYS  19  -0.866   8.725   1.182
  135    HD2  LYS  19           HD2      LYS  19  -0.361   6.869  -0.500
  136    HD3  LYS  19           HD1      LYS  19  -0.379   8.181  -1.687
  137    HE2  LYS  19           HE2      LYS  19   1.180   8.210   0.868
  138    HE3  LYS  19           HE1      LYS  19   1.885   7.713  -0.687
  139    HZ1  LYS  19           HZ1      LYS  19   0.993  10.394   0.201
  140    HZ2  LYS  19           HZ2      LYS  19   1.073  10.031  -1.456
  141    HZ3  LYS  19           HZ3      LYS  19   2.471   9.932  -0.501
  142    H    LEU  20           HN       LEU  20  -3.231   6.060   1.931
  143    HA   LEU  20           HA       LEU  20  -5.615   4.936   1.120
  144    HB2  LEU  20           HB2      LEU  20  -3.854   4.266   3.466
  145    HB3  LEU  20           HB1      LEU  20  -4.945   3.151   2.645
  146    HG   LEU  20           HG       LEU  20  -2.548   4.462   1.348
  147   HD11  LEU  20          HD11      LEU  20  -1.238   2.768   1.961
  148   HD12  LEU  20          HD12      LEU  20  -2.515   1.570   1.739
  149   HD13  LEU  20          HD13      LEU  20  -2.431   2.505   3.233
  150   HD21  LEU  20          HD21      LEU  20  -2.943   3.018  -0.497
  151   HD22  LEU  20          HD22      LEU  20  -4.473   3.816  -0.126
  152   HD23  LEU  20          HD23      LEU  20  -4.204   2.145   0.374
  153    H    ASN  21           HN       ASN  21  -4.651   6.446   4.145
  154    HA   ASN  21           HA       ASN  21  -7.092   5.924   5.514
  155    HB2  ASN  21           HB2      ASN  21  -4.644   7.560   6.094
  156    HB3  ASN  21           HB1      ASN  21  -6.066   7.717   7.127
  157   HD21  ASN  21          HD21      ASN  21  -3.180   6.254   6.902
  158   HD22  ASN  21          HD22      ASN  21  -3.495   4.812   7.829
  159    H    LYS  22           HN       LYS  22  -8.855   6.844   4.357
  160    HA   LYS  22           HA       LYS  22  -8.661   9.781   4.064
  161    HB2  LYS  22           HB2      LYS  22  -9.855   7.754   2.204
  162    HB3  LYS  22           HB1      LYS  22 -10.296   9.467   2.121
  163    HG2  LYS  22           HG2      LYS  22  -8.024  10.090   1.680
  164    HG3  LYS  22           HG1      LYS  22  -7.465   8.438   1.953
  165    HD2  LYS  22           HD2      LYS  22  -8.640   7.669   0.013
  166    HD3  LYS  22           HD1      LYS  22  -9.372   9.257  -0.239
  167    HE2  LYS  22           HE2      LYS  22  -7.150  10.194  -0.652
  168    HE3  LYS  22           HE1      LYS  22  -6.426   8.610  -0.365
  169    HZ1  LYS  22           HZ1      LYS  22  -6.751   9.215  -2.752
  170    HZ2  LYS  22           HZ2      LYS  22  -8.425   9.122  -2.496
  171    HZ3  LYS  22           HZ3      LYS  22  -7.458   7.737  -2.299
  172    H    GLY  23           HN       GLY  23 -11.046   7.195   4.738
  173    HA2  GLY  23           HA2      GLY  23 -12.386   8.653   6.650
  174    HA3  GLY  23           HA1      GLY  23 -13.161   9.013   5.101
  175    H    LYS  24           HN       LYS  24 -14.363   7.442   4.066
  176    HA   LYS  24           HA       LYS  24 -15.922   5.661   5.472
  177    HB2  LYS  24           HB2      LYS  24 -16.178   6.443   3.112
  178    HB3  LYS  24           HB1      LYS  24 -14.979   5.217   2.654
  179    HG2  LYS  24           HG2      LYS  24 -16.415   3.457   3.262
  180    HG3  LYS  24           HG1      LYS  24 -17.549   4.555   4.076
  181    HD2  LYS  24           HD2      LYS  24 -17.931   5.687   1.971
  182    HD3  LYS  24           HD1      LYS  24 -16.874   4.545   1.143
  183    HE2  LYS  24           HE2      LYS  24 -18.403   2.712   1.832
  184    HE3  LYS  24           HE1      LYS  24 -19.474   3.928   2.535
  185    HZ1  LYS  24           HZ1      LYS  24 -19.484   4.955   0.223
  186    HZ2  LYS  24           HZ2      LYS  24 -20.352   3.512   0.431
  187    HZ3  LYS  24           HZ3      LYS  24 -18.833   3.481  -0.320
  188    H    GLY  25           HN       GLY  25 -13.016   5.005   3.619
  189    HA2  GLY  25           HA2      GLY  25 -12.362   2.821   5.409
  190    HA3  GLY  25           HA1      GLY  25 -12.406   2.474   3.701
  191    H    LYS  26           HN       LYS  26 -10.204   2.189   5.318
  192    HA   LYS  26           HA       LYS  26  -8.317   4.074   4.160
  193    HB2  LYS  26           HB2      LYS  26  -7.438   4.131   6.620
  194    HB3  LYS  26           HB1      LYS  26  -8.732   5.218   6.099
  195    HG2  LYS  26           HG2      LYS  26 -10.310   3.411   6.823
  196    HG3  LYS  26           HG1      LYS  26  -8.932   2.651   7.627
  197    HD2  LYS  26           HD2      LYS  26 -10.178   3.986   9.233
  198    HD3  LYS  26           HD1      LYS  26  -8.597   4.715   8.945
  199    HE2  LYS  26           HE2      LYS  26 -11.002   5.597   7.392
  200    HE3  LYS  26           HE1      LYS  26 -10.696   6.240   9.014
  201    HZ1  LYS  26           HZ1      LYS  26  -9.733   7.745   7.495
  202    HZ2  LYS  26           HZ2      LYS  26  -9.001   6.508   6.597
  203    HZ3  LYS  26           HZ3      LYS  26  -8.430   6.872   8.152
  204    H    LEU  27           HN       LEU  27  -6.062   3.366   4.532
  205    HA   LEU  27           HA       LEU  27  -5.804   0.548   5.233
  206    HB2  LEU  27           HB2      LEU  27  -6.125   0.392   2.956
  207    HB3  LEU  27           HB1      LEU  27  -5.055   1.767   2.607
  208    HG   LEU  27           HG       LEU  27  -3.125   0.432   3.307
  209   HD11  LEU  27          HD11      LEU  27  -5.181  -1.361   4.285
  210   HD12  LEU  27          HD12      LEU  27  -3.451  -1.331   4.639
  211   HD13  LEU  27          HD13      LEU  27  -4.045  -2.198   3.224
  212   HD21  LEU  27          HD21      LEU  27  -4.174   0.424   0.937
  213   HD22  LEU  27          HD22      LEU  27  -4.612  -1.241   1.318
  214   HD23  LEU  27          HD23      LEU  27  -2.918  -0.752   1.324
  215    H    SER  28           HN       SER  28  -3.834  -0.027   6.069
  216    HA   SER  28           HA       SER  28  -1.765   2.047   6.312
  217    HB2  SER  28           HB2      SER  28  -3.364   2.011   8.316
  218    HB3  SER  28           HB1      SER  28  -2.774   0.370   8.620
  219    HG   SER  28           HG       SER  28  -1.632   2.738   9.258
  220    H    LEU  29           HN       LEU  29  -0.027   1.043   5.412
  221    HA   LEU  29           HA       LEU  29   0.527  -1.617   6.386
  222    HB2  LEU  29           HB2      LEU  29   1.509  -2.053   4.025
  223    HB3  LEU  29           HB1      LEU  29  -0.215  -2.280   4.384
  224    HG   LEU  29           HG       LEU  29  -0.530   0.078   3.675
  225   HD11  LEU  29          HD11      LEU  29   1.975   0.566   3.708
  226   HD12  LEU  29          HD12      LEU  29   1.034   1.220   2.366
  227   HD13  LEU  29          HD13      LEU  29   2.020  -0.223   2.129
  228   HD21  LEU  29          HD21      LEU  29  -1.385  -1.596   2.271
  229   HD22  LEU  29          HD22      LEU  29   0.224  -2.091   1.742
  230   HD23  LEU  29          HD23      LEU  29  -0.448  -0.554   1.201
  231    H    SER  30           HN       SER  30   2.621  -2.254   6.643
  232    HA   SER  30           HA       SER  30   4.826  -0.523   5.996
  233    HB2  SER  30           HB2      SER  30   5.494  -0.173   8.368
  234    HB3  SER  30           HB1      SER  30   3.971   0.628   7.981
  235    HG   SER  30           HG       SER  30   4.040  -0.622  10.003
  236    H    MET  31           HN       MET  31   6.741  -1.500   7.646
  237    HA   MET  31           HA       MET  31   6.491  -4.439   7.482
  238    HB2  MET  31           HB2      MET  31   8.940  -2.798   6.748
  239    HB3  MET  31           HB1      MET  31   8.903  -4.568   6.916
  240    HG2  MET  31           HG2      MET  31   7.234  -4.667   5.103
  241    HG3  MET  31           HG1      MET  31   7.364  -2.920   4.910
  242    HE1  MET  31           HE1      MET  31  10.230  -1.951   3.460
  243    HE2  MET  31           HE2      MET  31  11.230  -2.792   4.644
  244    HE3  MET  31           HE3      MET  31   9.752  -1.980   5.158
  245    H    ASN  32           HN       ASN  32   6.978  -5.479   9.190
  246    HA   ASN  32           HA       ASN  32   8.122  -4.104  11.515
  247    HB2  ASN  32           HB2      ASN  32   6.083  -5.501  11.869
  248    HB3  ASN  32           HB1      ASN  32   6.970  -6.908  11.255
  249   HD21  ASN  32          HD21      ASN  32   7.577  -8.202  12.808
  250   HD22  ASN  32          HD22      ASN  32   8.125  -7.726  14.389
  251    H    GLY  33           HN       GLY  33  10.213  -3.907  10.752
  252    HA2  GLY  33           HA2      GLY  33  12.435  -4.683  10.456
  253    HA3  GLY  33           HA1      GLY  33  11.825  -6.355  10.564
  254    H    ASN  34           HN       ASN  34  11.223  -7.404   8.746
  255    HA   ASN  34           HA       ASN  34  11.062  -5.843   6.256
  256    HB2  ASN  34           HB2      ASN  34  12.205  -8.627   6.580
  257    HB3  ASN  34           HB1      ASN  34  11.907  -7.839   5.033
  258   HD21  ASN  34          HD21      ASN  34  14.216  -8.531   7.233
  259   HD22  ASN  34          HD22      ASN  34  15.348  -7.252   6.888
  260    H    GLN  35           HN       GLN  35   9.200  -7.118   8.411
  261    HA   GLN  35           HA       GLN  35   7.684  -9.037   6.859
  262    HB2  GLN  35           HB2      GLN  35   8.072  -9.257   9.317
  263    HB3  GLN  35           HB1      GLN  35   7.092  -7.809   9.543
  264    HG2  GLN  35           HG2      GLN  35   5.150  -8.940   8.661
  265    HG3  GLN  35           HG1      GLN  35   6.112 -10.381   8.323
  266   HE21  GLN  35          HE21      GLN  35   5.748 -11.923   9.732
  267   HE22  GLN  35          HE22      GLN  35   5.455 -11.712  11.433
  268    H    LEU  36           HN       LEU  36   5.967  -8.565   5.628
  269    HA   LEU  36           HA       LEU  36   5.045  -5.856   5.452
  270    HB2  LEU  36           HB2      LEU  36   5.431  -7.187   3.515
  271    HB3  LEU  36           HB1      LEU  36   4.249  -8.391   4.031
  272    HG   LEU  36           HG       LEU  36   3.507  -6.948   2.136
  273   HD11  LEU  36          HD11      LEU  36   1.507  -7.552   2.883
  274   HD12  LEU  36          HD12      LEU  36   1.449  -6.053   3.811
  275   HD13  LEU  36          HD13      LEU  36   2.064  -7.527   4.556
  276   HD21  LEU  36          HD21      LEU  36   2.802  -4.637   2.633
  277   HD22  LEU  36          HD22      LEU  36   4.550  -4.859   2.736
  278   HD23  LEU  36          HD23      LEU  36   3.584  -4.755   4.209
  279    H    LYS  37           HN       LYS  37   3.460  -4.967   6.450
  280    HA   LYS  37           HA       LYS  37   1.427  -6.624   7.808
  281    HB2  LYS  37           HB2      LYS  37   2.960  -4.252   8.916
  282    HB3  LYS  37           HB1      LYS  37   1.764  -5.223   9.796
  283    HG2  LYS  37           HG2      LYS  37   4.384  -6.258   8.686
  284    HG3  LYS  37           HG1      LYS  37   4.123  -5.760  10.373
  285    HD2  LYS  37           HD2      LYS  37   2.713  -8.005   8.931
  286    HD3  LYS  37           HD1      LYS  37   4.005  -8.192  10.108
  287    HE2  LYS  37           HE2      LYS  37   2.567  -7.179  11.827
  288    HE3  LYS  37           HE1      LYS  37   1.268  -7.035  10.645
  289    HZ1  LYS  37           HZ1      LYS  37   2.237  -9.696  10.713
  290    HZ2  LYS  37           HZ2      LYS  37   0.670  -9.110  11.006
  291    HZ3  LYS  37           HZ3      LYS  37   1.795  -9.192  12.275
  292    H    ALA  38           HN       ALA  38  -0.576  -5.962   7.128
  293    HA   ALA  38           HA       ALA  38  -0.954  -3.091   6.570
  294    HB1  ALA  38           HB1      ALA  38  -2.760  -4.153   4.934
  295    HB2  ALA  38           HB2      ALA  38  -1.604  -5.486   4.954
  296    HB3  ALA  38           HB3      ALA  38  -1.088  -3.876   4.443
  297    H    THR  39           HN       THR  39  -2.906  -2.196   7.011
  298    HA   THR  39           HA       THR  39  -5.013  -3.759   8.243
  299    HB   THR  39           HB       THR  39  -5.149  -1.999  10.092
  300    HG1  THR  39           HG1      THR  39  -2.531  -1.548   9.133
  301   HG21  THR  39          HG21      THR  39  -3.009  -4.092  10.043
  302   HG22  THR  39          HG22      THR  39  -4.571  -4.115  10.864
  303   HG23  THR  39          HG23      THR  39  -3.278  -3.072  11.458
  304    H    SER  40           HN       SER  40  -6.875  -3.088   7.479
  305    HA   SER  40           HA       SER  40  -7.169  -0.300   6.518
  306    HB2  SER  40           HB2      SER  40  -8.644  -2.777   5.660
  307    HB3  SER  40           HB1      SER  40  -8.983  -1.128   5.113
  308    HG   SER  40           HG       SER  40  -7.517  -2.480   3.771
  309    H    SER  41           HN       SER  41  -8.530   0.897   7.614
  310    HA   SER  41           HA       SER  41  -9.946  -0.448   9.783
  311    HB2  SER  41           HB2      SER  41  -9.372   2.496   9.382
  312    HB3  SER  41           HB1      SER  41 -10.129   1.787  10.810
  313    HG   SER  41           HG       SER  41  -8.244   0.770  11.324
  314    H    ASN  42           HN       ASN  42 -12.046   0.334  10.459
  315    HA   ASN  42           HA       ASN  42 -14.260   0.758  10.141
  316    HB2  ASN  42           HB2      ASN  42 -13.422   1.652   7.376
  317    HB3  ASN  42           HB1      ASN  42 -15.137   1.572   7.918
  318   HD21  ASN  42          HD21      ASN  42 -12.502   3.529   7.616
  319   HD22  ASN  42          HD22      ASN  42 -12.923   4.754   8.786
  320    H    ALA  43           HN       ALA  43 -12.444  -1.547   9.248
  321    HA   ALA  43           HA       ALA  43 -12.681  -3.690   8.435
  322    HB1  ALA  43           HB1      ALA  43 -13.965  -3.173  10.707
  323    HB2  ALA  43           HB2      ALA  43 -13.886  -4.781   9.986
  324    HB3  ALA  43           HB3      ALA  43 -15.317  -3.777   9.748
  325    H    GLY  44           HN       GLY  44 -13.215  -2.675   6.077
  326    HA2  GLY  44           HA2      GLY  44 -14.281  -4.227   4.461
  327    HA3  GLY  44           HA1      GLY  44 -15.761  -3.905   5.399
  328    H    TYR  45           HN       TYR  45 -14.487  -0.995   5.317
  329    HA   TYR  45           HA       TYR  45 -16.078  -0.292   2.975
  330    HB2  TYR  45           HB2      TYR  45 -15.021   1.404   5.250
  331    HB3  TYR  45           HB1      TYR  45 -15.833   2.071   3.824
  332    HD1  TYR  45           HD1      TYR  45 -17.799   2.994   4.853
  333    HD2  TYR  45           HD2      TYR  45 -16.750  -1.066   5.625
  334    HE1  TYR  45           HE1      TYR  45 -19.962   2.638   5.932
  335    HE2  TYR  45           HE2      TYR  45 -18.921  -1.418   6.710
  336    HH   TYR  45           HH       TYR  45 -20.671   0.392   7.956
  337    H    GLY  46           HN       GLY  46 -15.385   1.286   1.457
  338    HA2  GLY  46           HA2      GLY  46 -12.459   1.316   0.995
  339    HA3  GLY  46           HA1      GLY  46 -13.694   1.575  -0.251
  340    H    ILE  47           HN       ILE  47 -12.015   3.537  -0.395
  341    HA   ILE  47           HA       ILE  47 -11.956   5.665   1.366
  342    HB   ILE  47           HB       ILE  47 -12.400   5.941  -1.590
  343   HG12  ILE  47          HG12      ILE  47 -10.590   4.425  -1.330
  344   HG13  ILE  47          HG11      ILE  47  -9.923   6.005  -1.746
  345   HG21  ILE  47          HG21      ILE  47 -11.582   8.083  -1.453
  346   HG22  ILE  47          HG22      ILE  47 -10.681   7.756   0.027
  347   HG23  ILE  47          HG23      ILE  47 -12.433   7.946   0.087
  348   HD11  ILE  47          HD11      ILE  47  -9.905   4.655   0.935
  349   HD12  ILE  47          HD12      ILE  47  -9.495   6.355   0.704
  350   HD13  ILE  47          HD13      ILE  47  -8.529   5.100  -0.075
  351    H    SER  48           HN       SER  48 -14.154   5.133  -1.275
  352    HA   SER  48           HA       SER  48 -16.539   5.858  -0.034
  353    HB2  SER  48           HB2      SER  48 -15.402   8.111   0.016
  354    HB3  SER  48           HB1      SER  48 -15.335   8.056  -1.760
  355    HG   SER  48           HG       SER  48 -17.383   8.782  -0.136
  356    H    TYR  49           HN       TYR  49 -17.667   7.102  -2.393
  357    HA   TYR  49           HA       TYR  49 -17.543   4.880  -4.270
  358    HB2  TYR  49           HB2      TYR  49 -19.138   6.511  -5.552
  359    HB3  TYR  49           HB1      TYR  49 -19.731   5.541  -4.194
  360    HD1  TYR  49           HD1      TYR  49 -17.994   8.877  -4.595
  361    HD2  TYR  49           HD2      TYR  49 -21.218   6.723  -2.791
  362    HE1  TYR  49           HE1      TYR  49 -18.738  10.917  -3.461
  363    HE2  TYR  49           HE2      TYR  49 -21.946   8.762  -1.666
  364    HH   TYR  49           HH       TYR  49 -21.573  11.465  -2.336
  365    H    GLU  50           HN       GLU  50 -15.313   5.222  -4.620
  366    HA   GLU  50           HA       GLU  50 -14.698   7.569  -6.253
  367    HB2  GLU  50           HB2      GLU  50 -13.028   5.945  -4.348
  368    HB3  GLU  50           HB1      GLU  50 -12.314   7.105  -5.449
  369    HG2  GLU  50           HG2      GLU  50 -14.309   7.684  -3.278
  370    HG3  GLU  50           HG1      GLU  50 -12.584   8.063  -3.285
  371    H    ASP  51           HN       ASP  51 -12.174   6.795  -7.049
  372    HA   ASP  51           HA       ASP  51 -12.020   4.197  -8.049
  373    HB2  ASP  51           HB2      ASP  51 -13.495   4.665  -9.742
  374    HB3  ASP  51           HB1      ASP  51 -12.761   6.249 -10.084
  375    H    LYS  52           HN       LYS  52 -10.130   3.815  -7.519
  376    HA   LYS  52           HA       LYS  52  -7.912   5.536  -8.313
  377    HB2  LYS  52           HB2      LYS  52  -8.548   4.477  -5.572
  378    HB3  LYS  52           HB1      LYS  52  -6.929   4.969  -6.030
  379    HG2  LYS  52           HG2      LYS  52  -7.981   6.726  -4.797
  380    HG3  LYS  52           HG1      LYS  52  -7.766   7.219  -6.468
  381    HD2  LYS  52           HD2      LYS  52 -10.079   6.901  -6.942
  382    HD3  LYS  52           HD1      LYS  52 -10.369   6.178  -5.362
  383    HE2  LYS  52           HE2      LYS  52 -11.130   8.489  -5.392
  384    HE3  LYS  52           HE1      LYS  52  -9.751   8.322  -4.305
  385    HZ1  LYS  52           HZ1      LYS  52  -9.071  10.136  -5.443
  386    HZ2  LYS  52           HZ2      LYS  52  -9.962   9.758  -6.837
  387    HZ3  LYS  52           HZ3      LYS  52  -8.486   8.975  -6.538
  388    H    ASN  53           HN       ASN  53  -6.762   4.250  -9.629
  389    HA   ASN  53           HA       ASN  53  -6.668   1.401  -9.112
  390    HB2  ASN  53           HB2      ASN  53  -5.478   3.103 -11.300
  391    HB3  ASN  53           HB1      ASN  53  -5.154   1.364 -11.140
  392   HD21  ASN  53          HD21      ASN  53  -8.226   2.007  -9.987
  393   HD22  ASN  53          HD22      ASN  53  -9.099   1.557 -11.425
  394    H    TRP  54           HN       TRP  54  -5.110   0.339  -8.150
  395    HA   TRP  54           HA       TRP  54  -2.828   1.935  -7.234
  396    HB2  TRP  54           HB2      TRP  54  -4.799   0.403  -5.778
  397    HB3  TRP  54           HB1      TRP  54  -3.156  -0.209  -5.467
  398    HD1  TRP  54           HD1      TRP  54  -5.055   3.200  -5.295
  399    HE1  TRP  54           HE1      TRP  54  -3.829   4.612  -3.510
  400    HE3  TRP  54           HE3      TRP  54  -1.282  -0.011  -4.257
  401    HZ2  TRP  54           HZ2      TRP  54  -1.469   4.345  -1.922
  402    HZ3  TRP  54           HZ3      TRP  54   0.404   0.623  -2.620
  403    HH2  TRP  54           HH2      TRP  54   0.301   2.749  -1.468
  404    H    GLY  55           HN       GLY  55  -0.851   0.910  -6.800
  405    HA2  GLY  55           HA2      GLY  55  -0.595  -1.831  -7.716
  406    HA3  GLY  55           HA1      GLY  55   0.387  -0.642  -8.566
  407    H    ILE  56           HN       ILE  56   1.334  -2.768  -7.273
  408    HA   ILE  56           HA       ILE  56   3.137  -1.632  -5.225
  409    HB   ILE  56           HB       ILE  56   1.997  -4.469  -5.207
  410   HG12  ILE  56          HG12      ILE  56   1.358  -2.213  -3.282
  411   HG13  ILE  56          HG11      ILE  56   0.284  -2.744  -4.602
  412   HG21  ILE  56          HG21      ILE  56   3.128  -4.742  -3.118
  413   HG22  ILE  56          HG22      ILE  56   3.602  -3.043  -3.092
  414   HG23  ILE  56          HG23      ILE  56   4.294  -4.133  -4.295
  415   HD11  ILE  56          HD11      ILE  56   1.005  -4.131  -2.056
  416   HD12  ILE  56          HD12      ILE  56   0.506  -5.070  -3.465
  417   HD13  ILE  56          HD13      ILE  56  -0.579  -3.855  -2.786
  418    H    PHE  57           HN       PHE  57   5.020  -1.627  -6.374
  419    HA   PHE  57           HA       PHE  57   5.243  -3.625  -8.498
  420    HB2  PHE  57           HB2      PHE  57   6.804  -1.040  -8.301
  421    HB3  PHE  57           HB1      PHE  57   6.625  -2.093  -9.711
  422    HD1  PHE  57           HD1      PHE  57   4.503  -0.012  -7.394
  423    HD2  PHE  57           HD2      PHE  57   5.116  -1.521 -11.326
  424    HE1  PHE  57           HE1      PHE  57   2.584   1.247  -8.157
  425    HE2  PHE  57           HE2      PHE  57   3.184  -0.214 -12.106
  426    HZ   PHE  57           HZ       PHE  57   1.922   1.172 -10.504
  427    H    VAL  58           HN       VAL  58   6.401  -5.312  -7.885
  428    HA   VAL  58           HA       VAL  58   8.861  -4.958  -6.342
  429    HB   VAL  58           HB       VAL  58   7.514  -7.487  -7.332
  430   HG11  VAL  58          HG11      VAL  58   9.807  -7.299  -5.393
  431   HG12  VAL  58          HG12      VAL  58  10.034  -7.576  -7.123
  432   HG13  VAL  58          HG13      VAL  58   9.133  -8.741  -6.154
  433   HG21  VAL  58          HG21      VAL  58   6.437  -7.606  -5.374
  434   HG22  VAL  58          HG22      VAL  58   6.785  -5.882  -5.245
  435   HG23  VAL  58          HG23      VAL  58   7.846  -7.057  -4.465
  436    H    ASN  59           HN       ASN  59  10.524  -4.290  -7.523
  437    HA   ASN  59           HA       ASN  59  12.107  -4.101  -9.140
  438    HB2  ASN  59           HB2      ASN  59  11.179  -6.883  -9.911
  439    HB3  ASN  59           HB1      ASN  59  12.627  -6.077 -10.562
  440   HD21  ASN  59          HD21      ASN  59  11.680  -8.334  -8.459
  441   HD22  ASN  59          HD22      ASN  59  12.949  -8.219  -7.292
  442    H    GLY  60           HN       GLY  60   9.963  -2.678  -9.715
  443    HA2  GLY  60           HA2      GLY  60   8.805  -1.644 -11.396
  444    HA3  GLY  60           HA1      GLY  60  10.053  -2.297 -12.481
  445    H    GLU  61           HN       GLU  61   7.586  -3.848 -10.503
  446    HA   GLU  61           HA       GLU  61   6.123  -4.782 -12.840
  447    HB2  GLU  61           HB2      GLU  61   7.884  -6.459 -12.586
  448    HB3  GLU  61           HB1      GLU  61   7.487  -6.646 -10.880
  449    HG2  GLU  61           HG2      GLU  61   6.606  -8.503 -12.098
  450    HG3  GLU  61           HG1      GLU  61   5.265  -7.503 -11.532
  451    H    LYS  62           HN       LYS  62   3.991  -4.697 -12.357
  452    HA   LYS  62           HA       LYS  62   3.114  -4.146  -9.703
  453    HB2  LYS  62           HB2      LYS  62   1.526  -4.989 -12.148
  454    HB3  LYS  62           HB1      LYS  62   0.818  -4.421 -10.620
  455    HG2  LYS  62           HG2      LYS  62   1.954  -2.266 -10.916
  456    HG3  LYS  62           HG1      LYS  62   2.602  -2.835 -12.477
  457    HD2  LYS  62           HD2      LYS  62  -0.329  -2.557 -11.774
  458    HD3  LYS  62           HD1      LYS  62   0.602  -1.432 -12.767
  459    HE2  LYS  62           HE2      LYS  62   1.018  -3.207 -14.397
  460    HE3  LYS  62           HE1      LYS  62   0.116  -4.346 -13.395
  461    HZ1  LYS  62           HZ1      LYS  62  -1.045  -3.179 -15.377
  462    HZ2  LYS  62           HZ2      LYS  62  -1.187  -1.865 -14.308
  463    HZ3  LYS  62           HZ3      LYS  62  -1.879  -3.364 -13.907
  464    H    VAL  63           HN       VAL  63   3.346  -5.636  -8.204
  465    HA   VAL  63           HA       VAL  63   3.068  -8.439  -8.830
  466    HB   VAL  63           HB       VAL  63   4.862  -7.654  -7.407
  467   HG11  VAL  63          HG11      VAL  63   4.620  -6.672  -5.336
  468   HG12  VAL  63          HG12      VAL  63   2.973  -7.269  -5.134
  469   HG13  VAL  63          HG13      VAL  63   3.297  -5.937  -6.243
  470   HG21  VAL  63          HG21      VAL  63   4.940  -9.670  -6.527
  471   HG22  VAL  63          HG22      VAL  63   3.256  -9.892  -7.010
  472   HG23  VAL  63          HG23      VAL  63   3.639  -9.285  -5.398
  473    H    TYR  64           HN       TYR  64   1.175  -5.893  -7.523
  474    HA   TYR  64           HA       TYR  64  -1.128  -7.604  -7.405
  475    HB2  TYR  64           HB2      TYR  64  -0.145  -7.877  -5.125
  476    HB3  TYR  64           HB1      TYR  64  -0.318  -6.121  -4.900
  477    HD1  TYR  64           HD1      TYR  64  -2.523  -8.859  -6.202
  478    HD2  TYR  64           HD2      TYR  64  -2.096  -5.592  -3.506
  479    HE1  TYR  64           HE1      TYR  64  -4.837  -9.184  -5.443
  480    HE2  TYR  64           HE2      TYR  64  -4.399  -5.917  -2.753
  481    HH   TYR  64           HH       TYR  64  -6.063  -8.431  -2.932
  482    H    THR  65           HN       THR  65  -2.938  -6.464  -7.960
  483    HA   THR  65           HA       THR  65  -2.773  -3.541  -7.866
  484    HB   THR  65           HB       THR  65  -4.141  -5.163  -9.904
  485    HG1  THR  65           HG1      THR  65  -1.856  -5.098 -10.137
  486   HG21  THR  65          HG21      THR  65  -5.363  -3.101  -9.612
  487   HG22  THR  65          HG22      THR  65  -4.484  -3.065 -11.139
  488   HG23  THR  65          HG23      THR  65  -3.863  -2.183  -9.744
  489    H    PHE  66           HN       PHE  66  -4.178  -2.662  -6.524
  490    HA   PHE  66           HA       PHE  66  -6.853  -3.872  -6.320
  491    HB2  PHE  66           HB2      PHE  66  -7.015  -3.299  -3.963
  492    HB3  PHE  66           HB1      PHE  66  -5.696  -4.457  -4.278
  493    HD1  PHE  66           HD1      PHE  66  -6.378  -0.841  -3.640
  494    HD2  PHE  66           HD2      PHE  66  -3.564  -4.030  -3.448
  495    HE1  PHE  66           HE1      PHE  66  -4.847   0.589  -2.351
  496    HE2  PHE  66           HE2      PHE  66  -2.031  -2.604  -2.156
  497    HZ   PHE  66           HZ       PHE  66  -2.664  -0.287  -1.605
  498    H    ASN  67           HN       ASN  67  -8.395  -2.158  -5.382
  499    HA   ASN  67           HA       ASN  67  -7.614   0.488  -6.407
  500    HB2  ASN  67           HB2      ASN  67 -10.294  -0.873  -6.836
  501    HB3  ASN  67           HB1      ASN  67  -9.879   0.771  -7.339
  502   HD21  ASN  67          HD21      ASN  67 -10.321  -2.218  -8.457
  503   HD22  ASN  67          HD22      ASN  67  -9.251  -2.206  -9.817
  504    H    GLU  68           HN       GLU  68  -8.722   2.269  -5.326
  505    HA   GLU  68           HA       GLU  68  -9.322   1.587  -2.600
  506    HB2  GLU  68           HB2      GLU  68  -9.605   4.286  -3.896
  507    HB3  GLU  68           HB1      GLU  68  -9.580   3.948  -2.181
  508    HG2  GLU  68           HG2      GLU  68  -7.239   3.028  -2.538
  509    HG3  GLU  68           HG1      GLU  68  -7.330   3.792  -4.145
  510    H    LYS  69           HN       LYS  69 -11.031   1.562  -5.393
  511    HA   LYS  69           HA       LYS  69 -13.683   2.160  -4.410
  512    HB2  LYS  69           HB2      LYS  69 -12.861   0.291  -6.649
  513    HB3  LYS  69           HB1      LYS  69 -14.457   1.020  -6.400
  514    HG2  LYS  69           HG2      LYS  69 -13.495   3.212  -6.807
  515    HG3  LYS  69           HG1      LYS  69 -11.914   2.435  -7.115
  516    HD2  LYS  69           HD2      LYS  69 -13.050   2.893  -9.224
  517    HD3  LYS  69           HD1      LYS  69 -12.951   1.151  -8.956
  518    HE2  LYS  69           HE2      LYS  69 -15.258   1.128  -8.160
  519    HE3  LYS  69           HE1      LYS  69 -15.361   2.876  -8.380
  520    HZ1  LYS  69           HZ1      LYS  69 -15.193   2.637 -10.710
  521    HZ2  LYS  69           HZ2      LYS  69 -16.354   1.509 -10.197
  522    HZ3  LYS  69           HZ3      LYS  69 -14.786   0.987 -10.600
  523    H    SER  70           HN       SER  70 -11.691  -0.636  -5.091
  524    HA   SER  70           HA       SER  70 -13.290  -2.575  -3.821
  525    HB2  SER  70           HB2      SER  70 -11.430  -3.057  -5.458
  526    HB3  SER  70           HB1      SER  70 -10.282  -2.631  -4.148
  527    HG   SER  70           HG       SER  70 -11.752  -4.315  -2.975
  528    H    THR  71           HN       THR  71 -13.680  -2.699  -1.750
  529    HA   THR  71           HA       THR  71 -12.899  -0.844   0.067
  530    HB   THR  71           HB       THR  71 -13.827  -2.325   1.733
  531    HG1  THR  71           HG1      THR  71 -14.353  -4.424   1.244
  532   HG21  THR  71          HG21      THR  71 -15.171  -1.278  -0.397
  533   HG22  THR  71          HG22      THR  71 -15.919  -2.003   1.028
  534   HG23  THR  71          HG23      THR  71 -15.670  -2.970  -0.426
  535    H    VAL  72           HN       VAL  72 -10.922  -0.400   0.798
  536    HA   VAL  72           HA       VAL  72  -8.735  -1.932   0.627
  537    HB   VAL  72           HB       VAL  72  -8.231  -0.389   2.936
  538   HG11  VAL  72          HG11      VAL  72  -6.504  -0.348   1.474
  539   HG12  VAL  72          HG12      VAL  72  -7.312   1.083   0.832
  540   HG13  VAL  72          HG13      VAL  72  -7.548  -0.484   0.058
  541   HG21  VAL  72          HG21      VAL  72  -9.562   1.362   0.841
  542   HG22  VAL  72          HG22      VAL  72  -9.143   1.741   2.519
  543   HG23  VAL  72          HG23      VAL  72 -10.518   0.693   2.180
  544    H    GLY  73           HN       GLY  73 -11.281  -2.165   2.848
  545    HA2  GLY  73           HA2      GLY  73 -10.114  -3.601   4.968
  546    HA3  GLY  73           HA1      GLY  73 -11.773  -3.680   4.422
  547    H    ASN  74           HN       ASN  74 -12.102  -4.929   2.359
  548    HA   ASN  74           HA       ASN  74 -11.361  -7.599   2.860
  549    HB2  ASN  74           HB2      ASN  74 -12.496  -6.370   0.325
  550    HB3  ASN  74           HB1      ASN  74 -12.438  -8.103   0.684
  551   HD21  ASN  74          HD21      ASN  74 -14.386  -8.820   1.161
  552   HD22  ASN  74          HD22      ASN  74 -15.557  -8.001   2.157
  553    H    ILE  75           HN       ILE  75  -9.869  -5.094   1.044
  554    HA   ILE  75           HA       ILE  75  -8.217  -6.868  -0.526
  555    HB   ILE  75           HB       ILE  75  -8.084  -3.944  -0.015
  556   HG12  ILE  75          HG12      ILE  75 -10.014  -4.642  -1.335
  557   HG13  ILE  75          HG11      ILE  75  -8.855  -3.819  -2.411
  558   HG21  ILE  75          HG21      ILE  75  -6.545  -5.298  -2.181
  559   HG22  ILE  75          HG22      ILE  75  -5.870  -5.150  -0.559
  560   HG23  ILE  75          HG23      ILE  75  -6.296  -3.702  -1.474
  561   HD11  ILE  75          HD11      ILE  75  -9.183  -5.591  -3.722
  562   HD12  ILE  75          HD12      ILE  75  -9.787  -6.597  -2.407
  563   HD13  ILE  75          HD13      ILE  75  -8.050  -6.398  -2.638
  564    H    SER  76           HN       SER  76  -7.837  -4.996   2.442
  565    HA   SER  76           HA       SER  76  -5.063  -5.710   2.661
  566    HB2  SER  76           HB2      SER  76  -5.737  -3.640   3.655
  567    HB3  SER  76           HB1      SER  76  -6.938  -4.453   4.665
  568    HG   SER  76           HG       SER  76  -5.198  -5.495   5.737
  569    H    ASN  77           HN       ASN  77  -8.007  -7.233   3.450
  570    HA   ASN  77           HA       ASN  77  -6.904  -9.120   5.313
  571    HB2  ASN  77           HB2      ASN  77  -9.274  -9.311   3.436
  572    HB3  ASN  77           HB1      ASN  77  -8.777 -10.619   4.517
  573   HD21  ASN  77          HD21      ASN  77 -10.975  -8.308   4.214
  574   HD22  ASN  77          HD22      ASN  77 -11.255  -7.902   5.877
  575    H    ASP  78           HN       ASP  78  -6.973  -8.596   1.871
  576    HA   ASP  78           HA       ASP  78  -5.664 -11.100   1.254
  577    HB2  ASP  78           HB2      ASP  78  -6.379  -8.704  -0.421
  578    HB3  ASP  78           HB1      ASP  78  -5.363 -10.023  -1.053
  579    H    ILE  79           HN       ILE  79  -4.620  -7.874   2.090
  580    HA   ILE  79           HA       ILE  79  -2.086  -8.086   0.836
  581    HB   ILE  79           HB       ILE  79  -2.638  -6.386   3.309
  582   HG12  ILE  79          HG12      ILE  79  -4.324  -5.988   1.483
  583   HG13  ILE  79          HG11      ILE  79  -3.293  -4.580   1.840
  584   HG21  ILE  79          HG21      ILE  79  -0.292  -6.610   2.637
  585   HG22  ILE  79          HG22      ILE  79  -0.874  -4.971   2.348
  586   HG23  ILE  79          HG23      ILE  79  -0.697  -6.097   1.004
  587   HD11  ILE  79          HD11      ILE  79  -3.012  -6.481  -0.478
  588   HD12  ILE  79          HD12      ILE  79  -1.921  -5.143  -0.118
  589   HD13  ILE  79          HD13      ILE  79  -3.602  -4.819  -0.530
  590    H    ASN  80           HN       ASN  80  -3.366  -9.328   3.794
  591    HA   ASN  80           HA       ASN  80  -0.863  -9.781   5.054
  592    HB2  ASN  80           HB2      ASN  80  -3.618 -10.879   5.563
  593    HB3  ASN  80           HB1      ASN  80  -2.219 -11.294   6.532
  594   HD21  ASN  80          HD21      ASN  80  -1.935 -10.122   8.283
  595   HD22  ASN  80          HD22      ASN  80  -2.509  -8.502   8.531
  596    H    LYS  81           HN       LYS  81  -2.877 -11.663   2.843
  597    HA   LYS  81           HA       LYS  81  -1.187 -13.971   3.159
  598    HB2  LYS  81           HB2      LYS  81  -2.385 -14.783   1.044
  599    HB3  LYS  81           HB1      LYS  81  -3.291 -14.683   2.542
  600    HG2  LYS  81           HG2      LYS  81  -3.373 -12.308   0.793
  601    HG3  LYS  81           HG1      LYS  81  -4.203 -13.770   0.213
  602    HD2  LYS  81           HD2      LYS  81  -4.614 -12.418   2.880
  603    HD3  LYS  81           HD1      LYS  81  -5.705 -12.327   1.495
  604    HE2  LYS  81           HE2      LYS  81  -6.029 -14.765   1.614
  605    HE3  LYS  81           HE1      LYS  81  -4.983 -14.823   3.032
  606    HZ1  LYS  81           HZ1      LYS  81  -7.419 -13.139   2.952
  607    HZ2  LYS  81           HZ2      LYS  81  -6.541 -13.658   4.313
  608    HZ3  LYS  81           HZ3      LYS  81  -7.472 -14.769   3.426
  609    H    LEU  82           HN       LEU  82  -1.835 -11.784   0.379
  610    HA   LEU  82           HA       LEU  82   0.237 -12.512  -1.258
  611    HB2  LEU  82           HB2      LEU  82  -1.103  -9.898  -0.749
  612    HB3  LEU  82           HB1      LEU  82   0.192 -10.060  -1.950
  613    HG   LEU  82           HG       LEU  82  -2.017 -10.210  -2.936
  614   HD11  LEU  82          HD11      LEU  82  -1.624 -12.712  -3.824
  615   HD12  LEU  82          HD12      LEU  82  -0.047 -12.355  -3.122
  616   HD13  LEU  82          HD13      LEU  82  -0.707 -11.313  -4.381
  617   HD21  LEU  82          HD21      LEU  82  -3.164 -11.270  -0.998
  618   HD22  LEU  82          HD22      LEU  82  -2.439 -12.795  -1.513
  619   HD23  LEU  82          HD23      LEU  82  -3.562 -11.948  -2.577
  620    H    ASN  83           HN       ASN  83   0.303 -10.602   1.628
  621    HA   ASN  83           HA       ASN  83   1.967  -9.263   2.587
  622    HB2  ASN  83           HB2      ASN  83   1.783 -11.472   3.686
  623    HB3  ASN  83           HB1      ASN  83   3.085 -12.070   2.654
  624   HD21  ASN  83          HD21      ASN  83   2.350 -10.754   5.603
  625   HD22  ASN  83          HD22      ASN  83   3.935 -10.221   6.068
  626    H    ILE  84           HN       ILE  84   2.717  -8.004   0.815
  627    HA   ILE  84           HA       ILE  84   4.871  -8.984  -0.765
  628    HB   ILE  84           HB       ILE  84   3.833  -6.163  -0.638
  629   HG12  ILE  84          HG12      ILE  84   2.704  -6.786  -2.837
  630   HG13  ILE  84          HG11      ILE  84   3.040  -8.482  -2.419
  631   HG21  ILE  84          HG21      ILE  84   4.785  -6.428  -3.125
  632   HG22  ILE  84          HG22      ILE  84   5.867  -7.529  -2.271
  633   HG23  ILE  84          HG23      ILE  84   5.753  -5.841  -1.772
  634   HD11  ILE  84          HD11      ILE  84   1.523  -8.459  -0.661
  635   HD12  ILE  84          HD12      ILE  84   0.720  -7.514  -1.915
  636   HD13  ILE  84          HD13      ILE  84   1.505  -6.698  -0.564
  637    H    LYS  85           HN       LYS  85   6.715  -9.348   0.365
  638    HA   LYS  85           HA       LYS  85   7.886  -7.004   1.702
  639    HB2  LYS  85           HB2      LYS  85   8.962  -8.561   3.283
  640    HB3  LYS  85           HB1      LYS  85   7.214  -8.511   3.437
  641    HG2  LYS  85           HG2      LYS  85   7.094 -10.594   2.077
  642    HG3  LYS  85           HG1      LYS  85   8.853 -10.667   2.111
  643    HD2  LYS  85           HD2      LYS  85   7.053 -10.728   4.533
  644    HD3  LYS  85           HD1      LYS  85   7.786 -12.141   3.777
  645    HE2  LYS  85           HE2      LYS  85  10.022 -11.221   4.286
  646    HE3  LYS  85           HE1      LYS  85   9.255  -9.850   5.092
  647    HZ1  LYS  85           HZ1      LYS  85   9.479 -12.627   5.977
  648    HZ2  LYS  85           HZ2      LYS  85   8.070 -11.779   6.399
  649    HZ3  LYS  85           HZ3      LYS  85   9.590 -11.186   6.874
  650    H    GLY  86           HN       GLY  86   9.134  -6.432  -0.049
  651    HA2  GLY  86           HA2      GLY  86  11.061  -6.366  -1.299
  652    HA3  GLY  86           HA1      GLY  86  11.687  -7.615  -0.202
  653    HA   PRO  87           HA       PRO  87  12.892  -6.712  -2.211
  654    HB2  PRO  87           HB2      PRO  87  14.096  -6.831  -4.567
  655    HB3  PRO  87           HB1      PRO  87  14.293  -8.125  -3.387
  656    HG2  PRO  87           HG2      PRO  87  12.633  -8.027  -5.856
  657    HG3  PRO  87           HG1      PRO  87  13.543  -9.386  -5.171
  658    HD2  PRO  87           HD2      PRO  87  10.768  -8.904  -4.849
  659    HD3  PRO  87           HD1      PRO  87  11.769 -10.065  -3.922
  660    H    TYR  88           HN       TYR  88  13.542  -4.764  -3.675
  661    HA   TYR  88           HA       TYR  88  12.602  -2.629  -4.067
  662    HB2  TYR  88           HB2      TYR  88  12.434  -4.190  -6.658
  663    HB3  TYR  88           HB1      TYR  88  12.389  -2.403  -6.532
  664    HD1  TYR  88           HD1      TYR  88  14.332  -1.475  -7.289
  665    HD2  TYR  88           HD2      TYR  88  14.572  -5.097  -5.096
  666    HE1  TYR  88           HE1      TYR  88  16.780  -1.427  -7.496
  667    HE2  TYR  88           HE2      TYR  88  17.021  -5.065  -5.283
  668    HH   TYR  88           HH       TYR  88  18.770  -2.443  -6.076
  669    H    ILE  89           HN       ILE  89  10.635  -2.261  -3.025
  670    HA   ILE  89           HA       ILE  89   8.221  -3.019  -4.543
  671    HB   ILE  89           HB       ILE  89   8.481  -2.319  -1.610
  672   HG12  ILE  89          HG12      ILE  89   7.848  -4.943  -3.000
  673   HG13  ILE  89          HG11      ILE  89   9.441  -4.568  -2.292
  674   HG21  ILE  89          HG21      ILE  89   6.130  -3.185  -1.531
  675   HG22  ILE  89          HG22      ILE  89   6.116  -3.121  -3.293
  676   HG23  ILE  89          HG23      ILE  89   6.330  -1.640  -2.359
  677   HD11  ILE  89          HD11      ILE  89   6.989  -4.374  -0.603
  678   HD12  ILE  89          HD12      ILE  89   8.648  -4.764  -0.150
  679   HD13  ILE  89          HD13      ILE  89   7.655  -5.960  -0.987
  680    H    GLU  90           HN       GLU  90   6.815  -1.563  -5.218
  681    HA   GLU  90           HA       GLU  90   7.135   1.215  -4.294
  682    HB2  GLU  90           HB2      GLU  90   6.202   0.524  -7.083
  683    HB3  GLU  90           HB1      GLU  90   6.623   2.115  -6.434
  684    HG2  GLU  90           HG2      GLU  90   8.576  -0.140  -6.861
  685    HG3  GLU  90           HG1      GLU  90   8.329   1.214  -7.961
  686    H    ILE  91           HN       ILE  91   5.507   1.020  -2.825
  687    HA   ILE  91           HA       ILE  91   2.875   0.117  -3.647
  688    HB   ILE  91           HB       ILE  91   4.042   0.854  -0.967
  689   HG12  ILE  91          HG12      ILE  91   3.171  -1.763  -2.168
  690   HG13  ILE  91          HG11      ILE  91   4.807  -1.277  -1.728
  691   HG21  ILE  91          HG21      ILE  91   1.557   1.384  -1.256
  692   HG22  ILE  91          HG22      ILE  91   2.068   0.451   0.145
  693   HG23  ILE  91          HG23      ILE  91   1.338  -0.366  -1.235
  694   HD11  ILE  91          HD11      ILE  91   4.121  -1.218   0.634
  695   HD12  ILE  91          HD12      ILE  91   3.929  -2.814  -0.094
  696   HD13  ILE  91          HD13      ILE  91   2.517  -1.781   0.157
  697    H    LYS  92           HN       LYS  92   1.941   1.725  -4.876
  698    HA   LYS  92           HA       LYS  92   1.030   4.051  -3.497
  699    HB2  LYS  92           HB2      LYS  92   2.188   5.771  -4.471
  700    HB3  LYS  92           HB1      LYS  92   3.465   4.553  -4.427
  701    HG2  LYS  92           HG2      LYS  92   1.749   5.229  -6.811
  702    HG3  LYS  92           HG1      LYS  92   3.393   5.785  -6.538
  703    HD2  LYS  92           HD2      LYS  92   4.210   3.487  -6.713
  704    HD3  LYS  92           HD1      LYS  92   2.549   2.913  -6.886
  705    HE2  LYS  92           HE2      LYS  92   2.315   3.804  -9.016
  706    HE3  LYS  92           HE1      LYS  92   3.562   5.017  -8.726
  707    HZ1  LYS  92           HZ1      LYS  92   4.162   2.143  -9.032
  708    HZ2  LYS  92           HZ2      LYS  92   5.270   3.423  -8.980
  709    HZ3  LYS  92           HZ3      LYS  92   4.218   3.260 -10.308
  710    H    GLN  93           HN       GLN  93  -0.351   5.456  -5.004
  711    HA   GLN  93           HA       GLN  93  -1.830   3.671  -6.726
  712    HB2  GLN  93           HB2      GLN  93  -3.369   5.517  -7.106
  713    HB3  GLN  93           HB1      GLN  93  -3.161   5.143  -5.390
  714    HG2  GLN  93           HG2      GLN  93  -1.544   6.993  -5.242
  715    HG3  GLN  93           HG1      GLN  93  -1.920   7.425  -6.906
  716   HE21  GLN  93          HE21      GLN  93  -2.534   8.243  -3.837
  717   HE22  GLN  93          HE22      GLN  93  -4.120   8.914  -3.998
  718    H    ILE  94           HN       ILE  94  -2.514   4.408  -8.873
  719    HA   ILE  94           HA       ILE  94  -0.281   5.641 -10.341
  720    HB   ILE  94           HB       ILE  94  -0.507   3.728 -11.918
  721   HG12  ILE  94          HG12      ILE  94  -2.205   2.721  -9.637
  722   HG13  ILE  94          HG11      ILE  94  -2.669   2.940 -11.322
  723   HG21  ILE  94          HG21      ILE  94   1.343   3.105 -10.864
  724   HG22  ILE  94          HG22      ILE  94   0.340   2.160  -9.756
  725   HG23  ILE  94          HG23      ILE  94   0.768   3.827  -9.361
  726   HD11  ILE  94          HD11      ILE  94  -0.513   1.169 -11.329
  727   HD12  ILE  94          HD12      ILE  94  -2.209   0.819 -11.665
  728   HD13  ILE  94          HD13      ILE  94  -1.585   0.667 -10.022