*HEADER    CELL ADHESION                           28-JUL-03   1Q38              
*TITLE     ANASTELLIN                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FIBRONECTIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: TYPE 3 (FN3) DOMAIN;                                       
*COMPND   5 SYNONYM: FN, COLD-INSOLUBLE GLOBULIN, CIG, ANASTELLIN;               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: FN1 OR FN;                                                     
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    AMYLOID FIBRIL, ANASTELLIN, EXTRACELLULAR MATRIX,                     
*KEYWDS   2 FIBRONECTIN TYPE 3 (FN3) DOMAIN, DYNAMIC FLUCTUATIONS,               
*KEYWDS   3 CONFORMATIONAL EXCHANGE, CHAPS                                       
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    K.BRIKNAROVA, M.E.AKERMAN, D.W.HOYT, E.RUOSLAHTI, K.R.ELY             
*REVDAT   1   04-NOV-03 1Q38    0                                                

!022702 from TALOS
!psi
assign (resid 12 and name n) (resid 12 and name ca)
       (resid 12 and name c) (resid 13 and name n) 1 142.7 14.5 2
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name c) (resid 15 and name n) 1 155.9 10.7 2
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n) 1 141.2 15.4 2
assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n) 1 124.3 22.0 2
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1 130.5 14.6 2
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1 142.6 12.3 2
assign (resid 19 and name n) (resid 19 and name ca)
       (resid 19 and name c) (resid 20 and name n) 1 148.4 15.2 2
assign (resid 20 and name n) (resid 20 and name ca)
       (resid 20 and name c) (resid 21 and name n) 1 150.7 11.9 2
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name c) (resid 22 and name n) 1 126.2 15.7 2
assign (resid 23 and name n) (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n) 1 -25.9 17.5 2
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name c) (resid 31 and name n) 1 140.9 16.1 2
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name c) (resid 32 and name n) 1 130.6 18.4 2
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name c) (resid 33 and name n) 1 128.1 12.3 2
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name c) (resid 34 and name n) 1 125.2 16.9 2
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n) 1 -18.6 14.3 2
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name c) (resid 40 and name n) 1 133.0 27.0 2
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1 114.6 14.9 2
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n) 1 131.4 15.9 2
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1 127.0 10.2 2
assign (resid 49 and name n) (resid 49 and name ca)
       (resid 49 and name c) (resid 50 and name n) 1 124.8 11.7 2
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name c) (resid 51 and name n) 1 125.1 21.2 2
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name c) (resid 53 and name n) 1 145.1 14.4 2
assign (resid 54 and name n) (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n) 1 133.6 18.7 2
assign (resid 55 and name n) (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n) 1 120.7 12.7 2
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1 126.9 10.9 2
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1 134.4 19.0 2
assign (resid 58 and name n) (resid 58 and name ca)
       (resid 58 and name c) (resid 59 and name n) 1 120.1 11.8 2
assign (resid 59 and name n) (resid 59 and name ca)
       (resid 59 and name c) (resid 60 and name n) 1 151.9 30.7 2
assign (resid 60 and name n) (resid 60 and name ca)
       (resid 60 and name c) (resid 61 and name n) 1 -18.4 14.0 2
assign (resid 61 and name n) (resid 61 and name ca)
       (resid 61 and name c) (resid 62 and name n) 1 5.5 10.0 2
assign (resid 65 and name n) (resid 65 and name ca)
       (resid 65 and name c) (resid 66 and name n) 1 130.5 13.5 2
assign (resid 66 and name n) (resid 66 and name ca)
       (resid 66 and name c) (resid 67 and name n) 1 127.6 13.2 2
assign (resid 67 and name n) (resid 67 and name ca)
       (resid 67 and name c) (resid 68 and name n) 1 131.6 9.6 2
assign (resid 68 and name n) (resid 68 and name ca)
       (resid 68 and name c) (resid 69 and name n) 1 132.9 15.3 2
assign (resid 69 and name n) (resid 69 and name ca)
       (resid 69 and name c) (resid 70 and name n) 1 143.2 15.8 2
assign (resid 70 and name n) (resid 70 and name ca)
       (resid 70 and name c) (resid 71 and name n) 1 138.9 19.2 2
assign (resid 71 and name n) (resid 71 and name ca)
       (resid 71 and name c) (resid 72 and name n) 1 152.6 9.7 2
assign (resid 72 and name n) (resid 72 and name ca)
       (resid 72 and name c) (resid 73 and name n) 1 151.0 15.5 2



!phi from TALOS
assign (resid 11 and name c) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 1 -85.8 18.1 2
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1 -137.3 37.6 2
assign (resid 14 and name c) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c) 1 -122.9 20.2 2
assign (resid 15 and name c) (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 1 -125.8 10.6 2
assign (resid 16 and name c) (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c) 1 -123.2 17.2 2
assign (resid 17 and name c) (resid 18 and name n)
       (resid 18 and name ca) (resid 18 and name c) 1 -122.1 21.5 2
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1 -138.8 23.1 2
assign (resid 19 and name c) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1 -125.8 33.0 2
assign (resid 20 and name c) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 1 -70.9 11.9 2
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1 -80.0 19.1 2
assign (resid 29 and name c) (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1 -131.2 10.4 2
assign (resid 30 and name c) (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c) 1 -127.3 13.5 2
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1 -102.4 16.6 2
assign (resid 32 and name c) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 1 -112.6 26.6 2
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1 -74.5 8.2 2
assign (resid 38 and name c) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c) 1 -102.1 24.7 2
assign (resid 39 and name c) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1 -105.9 22.0 2
assign (resid 40 and name c) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1 -113.4 14.7 2
assign (resid 41 and name c) (resid 42 and name n)
       (resid 42 and name ca) (resid 42 and name c) 1 -95.9 13.8 2
assign (resid 48 and name c) (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c) 1 -98.3 21.2 2
assign (resid 49 and name c) (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 1 -96.5 18.2 2
assign (resid 51 and name c) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1 -106.1 26.0 2
assign (resid 53 and name c) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1 -117.7 15.0 2
assign (resid 54 and name c) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1 -115.1 14.4 2
assign (resid 55 and name c) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1 -104.2 11.6 2
assign (resid 56 and name c) (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1 -111.6 28.6 2
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1 -94.3 18.7 2
assign (resid 58 and name c) (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c) 1 -101.5 23.1 2
assign (resid 59 and name c) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1 -70.0 8.5 2
assign (resid 60 and name c) (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1 -92.5 10.1 2
assign (resid 64 and name c) (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c) 1 -121.3 23.8 2
assign (resid 65 and name c) (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 1 -114.0 19.5 2
assign (resid 66 and name c) (resid 67 and name n)
       (resid 67 and name ca) (resid 67 and name c) 1 -118.5 18.5 2
assign (resid 67 and name c) (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c) 1 -97.9 13.4 2
assign (resid 68 and name c) (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c) 1 -137.3 18.2 2
assign (resid 69 and name c) (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c) 1 -109.9 13.7 2
assign (resid 70 and name c) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c) 1 -136.9 14.6 2
assign (resid 71 and name c) (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c) 1 -124.5 22.0 2ASSIGN (RESID   58 AND NAME O   )

 (RESID   14 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   58 AND NAME O   ) (RESID   14 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   14 AND NAME O   ) (RESID   58 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   14 AND NAME O   ) (RESID   58 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   56 AND NAME O   ) (RESID   16 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   56 AND NAME O   ) (RESID   16 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   16 AND NAME O   ) (RESID   56 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   16 AND NAME O   ) (RESID   56 AND NAME N   )    2.9   0.5   0.5
!ASSIGN (RESID   54 AND NAME O   ) (RESID   18 AND NAME HN  )    2.0   0.4   0.4
!ASSIGN (RESID   54 AND NAME O   ) (RESID   18 AND NAME N   )    2.9   0.5   0.5
!ASSIGN (RESID   18 AND NAME O   ) (RESID   54 AND NAME HN  )    2.0   0.4   0.4
!ASSIGN (RESID   18 AND NAME O   ) (RESID   54 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   52 AND NAME O   ) (RESID   20 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   52 AND NAME O   ) (RESID   20 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   20 AND NAME O   ) (RESID   52 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   20 AND NAME O   ) (RESID   52 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   33 AND NAME O   ) (RESID   15 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   33 AND NAME O   ) (RESID   15 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   15 AND NAME O   ) (RESID   33 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   15 AND NAME O   ) (RESID   33 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   31 AND NAME O   ) (RESID   17 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   31 AND NAME O   ) (RESID   17 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   17 AND NAME O   ) (RESID   31 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   17 AND NAME O   ) (RESID   31 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   29 AND NAME O   ) (RESID   19 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   29 AND NAME O   ) (RESID   19 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   19 AND NAME O   ) (RESID   29 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   19 AND NAME O   ) (RESID   29 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   53 AND NAME O   ) (RESID   69 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   53 AND NAME O   ) (RESID   69 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   69 AND NAME O   ) (RESID   53 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   69 AND NAME O   ) (RESID   53 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   51 AND NAME O   ) (RESID   71 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   51 AND NAME O   ) (RESID   71 AND NAME N   )    2.9   0.5   0.5
ASSIGN (RESID   71 AND NAME O   ) (RESID   51 AND NAME HN  )    2.0   0.4   0.4
ASSIGN (RESID   71 AND NAME O   ) (RESID   51 AND NAME N   )    2.9   0.5   0.5


REMARK chemical shifts generated by Felix2000.0 from ana_0418.dba database
  do ( store1 = 55.580 )  ( resid 1 and name CA )
  do ( store1 = 34.500 )  ( resid 1 and name CB )
  do ( store1 = 31.400 )  ( resid 1 and name CG )
  do ( store1 = 16.870 )  ( resid 1 and name CE )
  do ( store1 = 3.812 )  ( resid 1 and name HA )
  do ( store1 = 1.965 )  ( resid 1 and name HB* )
  do ( store1 = 2.504 )  ( resid 1 and name HG* )
  do ( store1 = 2.014 )  ( resid 1 and name HE* )
  do ( store1 = 56.400 )  ( resid 2 and name CA )
  do ( store1 = 30.800 )  ( resid 2 and name CB )
  do ( store1 = 176.620 )  ( resid 2 and name C )
  do ( store1 = 27.120 )  ( resid 2 and name CG )
  do ( store1 = 43.350 )  ( resid 2 and name CD )
  do ( store1 = 4.300 )  ( resid 2 and name HA )
  do ( store1 = 1.770 )  ( resid 2 and name HB* )
  do ( store1 = 1.591 )  ( resid 2 and name HG* )
  do ( store1 = 3.147 )  ( resid 2 and name HD* )
  do ( store1 = 111.030 )  ( resid 3 and name N )
  do ( store1 = 8.480 )  ( resid 3 and name HN )
  do ( store1 = 45.330 )  ( resid 3 and name CA )
  do ( store1 = 3.917 )  ( resid 3 and name HA* )
  do ( store1 = 58.300 )  ( resid 4 and name CA )
  do ( store1 = 63.900 )  ( resid 4 and name CB )
  do ( store1 = 4.352 )  ( resid 4 and name HA )
  do ( store1 = 3.757 )  ( resid 4 and name HB* )
  do ( store1 = 53.010 )  ( resid 5 and name CA )
  do ( store1 = 38.930 )  ( resid 5 and name CB )
  do ( store1 = 174.440 )  ( resid 5 and name C )
  do ( store1 = 4.669 )  ( resid 5 and name HA )
  do ( store1 = 2.707 )  ( resid 5 and name HB* )
  do ( store1 = 113.000 )  ( resid 5 and name ND2 )
  do ( store1 = 6.825 )  ( resid 5 and name HD21 )
  do ( store1 = 7.500 )  ( resid 5 and name HD22 )
  do ( store1 = 125.240 )  ( resid 6 and name N )
  do ( store1 = 8.043 )  ( resid 6 and name HN )
  do ( store1 = 50.600 )  ( resid 6 and name CA )
  do ( store1 = 18.230 )  ( resid 6 and name CB )
  do ( store1 = 4.496 )  ( resid 6 and name HA )
  do ( store1 = 1.261 )  ( resid 6 and name HB* )
  do ( store1 = 63.030 )  ( resid 7 and name CA )
  do ( store1 = 31.970 )  ( resid 7 and name CB )
  do ( store1 = 176.730 )  ( resid 7 and name C )
  do ( store1 = 27.400 )  ( resid 7 and name CG )
  do ( store1 = 50.370 )  ( resid 7 and name CD )
  do ( store1 = 4.352 )  ( resid 7 and name HA )
  do ( store1 = 2.178 )  ( resid 7 and name HB2 )
  do ( store1 = 1.916 )  ( resid 7 and name HG* )
  do ( store1 = 1.786 )  ( resid 7 and name HB1 )
  do ( store1 = 3.550 )  ( resid 7 and name HD1 )
  do ( store1 = 3.710 )  ( resid 7 and name HD2 )
  do ( store1 = 121.600 )  ( resid 8 and name N )
  do ( store1 = 8.365 )  ( resid 8 and name HN )
  do ( store1 = 53.560 )  ( resid 8 and name CA )
  do ( store1 = 29.160 )  ( resid 8 and name CB )
  do ( store1 = 4.516 )  ( resid 8 and name HA )
  do ( store1 = 2.328 )  ( resid 8 and name HG* )
  do ( store1 = 2.008 )  ( resid 8 and name HB2 )
  do ( store1 = 1.799 )  ( resid 8 and name HB1 )
  do ( store1 = 33.560 )  ( resid 8 and name CG )
  do ( store1 = 112.800 )  ( resid 8 and name NE2 )
  do ( store1 = 7.447 )  ( resid 8 and name HE22 )
  do ( store1 = 6.777 )  ( resid 8 and name HE21 )
  do ( store1 = 63.410 )  ( resid 9 and name CA )
  do ( store1 = 32.190 )  ( resid 9 and name CB )
  do ( store1 = 176.810 )  ( resid 9 and name C )
  do ( store1 = 27.420 )  ( resid 9 and name CG )
  do ( store1 = 50.610 )  ( resid 9 and name CD )
  do ( store1 = 4.352 )  ( resid 9 and name HA )
  do ( store1 = 2.203 )  ( resid 9 and name HB2 )
  do ( store1 = 1.929 )  ( resid 9 and name HG* )
  do ( store1 = 1.766 )  ( resid 9 and name HB1 )
  do ( store1 = 3.589 )  ( resid 9 and name HD1 )
  do ( store1 = 3.688 )  ( resid 9 and name HD2 )
  do ( store1 = 115.530 )  ( resid 10 and name N )
  do ( store1 = 8.269 )  ( resid 10 and name HN )
  do ( store1 = 58.060 )  ( resid 10 and name CA )
  do ( store1 = 64.050 )  ( resid 10 and name CB )
  do ( store1 = 4.357 )  ( resid 10 and name HA )
  do ( store1 = 3.773 )  ( resid 10 and name HB* )
  do ( store1 = 56.510 )  ( resid 11 and name CA )
  do ( store1 = 30.900 )  ( resid 11 and name CB )
  do ( store1 = 174.830 )  ( resid 11 and name C )
  do ( store1 = 4.535 )  ( resid 11 and name HA )
  do ( store1 = 3.006 )  ( resid 11 and name HB* )
  do ( store1 = 122.760 )  ( resid 12 and name N )
  do ( store1 = 7.936 )  ( resid 12 and name HN )
  do ( store1 = 60.450 )  ( resid 12 and name CA )
  do ( store1 = 38.260 )  ( resid 12 and name CB )
  do ( store1 = 175.910 )  ( resid 12 and name C )
  do ( store1 = 27.350 )  ( resid 12 and name CG1 )
  do ( store1 = 17.300 )  ( resid 12 and name CG2 )
  do ( store1 = 12.270 )  ( resid 12 and name CD1 )
  do ( store1 = 3.983 )  ( resid 12 and name HA )
  do ( store1 = 1.619 )  ( resid 12 and name HB )
  do ( store1 = 1.266 )  ( resid 12 and name HG12 )
  do ( store1 = 0.951 )  ( resid 12 and name HG11 )
  do ( store1 = 0.660 )  ( resid 12 and name HD1* )
  do ( store1 = 0.314 )  ( resid 12 and name HG2* )
  do ( store1 = 121.790 )  ( resid 13 and name N )
  do ( store1 = 8.529 )  ( resid 13 and name HN )
  do ( store1 = 59.250 )  ( resid 13 and name CA )
  do ( store1 = 64.030 )  ( resid 13 and name CB )
  do ( store1 = 174.310 )  ( resid 13 and name C )
  do ( store1 = 4.325 )  ( resid 13 and name HA )
  do ( store1 = 3.593 )  ( resid 13 and name HB* )
  do ( store1 = 119.690 )  ( resid 14 and name N )
  do ( store1 = 7.687 )  ( resid 14 and name HN )
  do ( store1 = 55.400 )  ( resid 14 and name CA )
  do ( store1 = 35.000 )  ( resid 14 and name CB )
  do ( store1 = 172.660 )  ( resid 14 and name C )
  do ( store1 = 29.620 )  ( resid 14 and name CD )
  do ( store1 = 23.800 )  ( resid 14 and name CG )
  do ( store1 = 4.433 )  ( resid 14 and name HA )
  do ( store1 = 1.700 )  ( resid 14 and name HB2 )
  do ( store1 = 1.521 )  ( resid 14 and name HB1 )
  do ( store1 = 1.073 )  ( resid 14 and name HG* )
  do ( store1 = 2.749 )  ( resid 14 and name HE* )
  do ( store1 = 1.473 )  ( resid 14 and name HD* )
  do ( store1 = 42.110 )  ( resid 14 and name CE )
  do ( store1 = 118.190 )  ( resid 15 and name N )
  do ( store1 = 8.594 )  ( resid 15 and name HN )
  do ( store1 = 56.000 )  ( resid 15 and name CA )
  do ( store1 = 41.830 )  ( resid 15 and name CB )
  do ( store1 = 175.420 )  ( resid 15 and name C )
  do ( store1 = 5.498 )  ( resid 15 and name HA )
  do ( store1 = 2.635 )  ( resid 15 and name HB* )
  do ( store1 = 6.661 )  ( resid 15 and name HE* )
  do ( store1 = 6.841 )  ( resid 15 and name HD* )
  do ( store1 = 133.350 )  ( resid 15 and name CD* )
  do ( store1 = 118.040 )  ( resid 15 and name CE* )
  do ( store1 = 121.590 )  ( resid 16 and name N )
  do ( store1 = 9.197 )  ( resid 16 and name HN )
  do ( store1 = 60.500 )  ( resid 16 and name CA )
  do ( store1 = 40.820 )  ( resid 16 and name CB )
  do ( store1 = 174.340 )  ( resid 16 and name C )
  do ( store1 = 27.530 )  ( resid 16 and name CG1 )
  do ( store1 = 17.340 )  ( resid 16 and name CG2 )
  do ( store1 = 13.720 )  ( resid 16 and name CD1 )
  do ( store1 = 4.744 )  ( resid 16 and name HA )
  do ( store1 = 1.624 )  ( resid 16 and name HB )
  do ( store1 = 0.694 )  ( resid 16 and name HG2* )
  do ( store1 = 1.030 )  ( resid 16 and name HG11 )
  do ( store1 = 1.367 )  ( resid 16 and name HG12 )
  do ( store1 = 0.669 )  ( resid 16 and name HD1* )
  do ( store1 = 129.230 )  ( resid 17 and name N )
  do ( store1 = 9.101 )  ( resid 17 and name HN )
  do ( store1 = 53.040 )  ( resid 17 and name CA )
  do ( store1 = 45.650 )  ( resid 17 and name CB )
  do ( store1 = 175.130 )  ( resid 17 and name C )
  do ( store1 = 27.100 )  ( resid 17 and name CD2 )
  do ( store1 = 23.430 )  ( resid 17 and name CD1 )
  do ( store1 = 5.433 )  ( resid 17 and name HA )
  do ( store1 = 1.844 )  ( resid 17 and name HB2 )
  do ( store1 = 1.082 )  ( resid 17 and name HB1 )
  do ( store1 = 0.538 )  ( resid 17 and name HD2* )
  do ( store1 = 0.936 )  ( resid 17 and name HD1* )
  do ( store1 = 1.770 )  ( resid 17 and name HG )
  do ( store1 = 27.800 )  ( resid 17 and name CG )
  do ( store1 = 124.630 )  ( resid 18 and name N )
  do ( store1 = 9.315 )  ( resid 18 and name HN )
  do ( store1 = 53.970 )  ( resid 18 and name CA )
  do ( store1 = 33.660 )  ( resid 18 and name CB )
  do ( store1 = 176.140 )  ( resid 18 and name C )
  do ( store1 = 28.070 )  ( resid 18 and name CG )
  do ( store1 = 42.850 )  ( resid 18 and name CD )
  do ( store1 = 6.130 )  ( resid 18 and name HA )
  do ( store1 = 2.641 )  ( resid 18 and name HD2 )
  do ( store1 = 1.735 )  ( resid 18 and name HB2 )
  do ( store1 = 1.399 )  ( resid 18 and name HG* )
  do ( store1 = 2.484 )  ( resid 18 and name HD1 )
  do ( store1 = 1.310 )  ( resid 18 and name HB1 )
  do ( store1 = 7.141 )  ( resid 18 and name HE )
  do ( store1 = 83.960 )  ( resid 18 and name NE )
  do ( store1 = 120.880 )  ( resid 19 and name N )
  do ( store1 = 9.073 )  ( resid 19 and name HN )
  do ( store1 = 57.660 )  ( resid 19 and name CA )
  do ( store1 = 34.060 )  ( resid 19 and name CB )
  do ( store1 = 174.310 )  ( resid 19 and name C )
  do ( store1 = 3.607 )  ( resid 19 and name HB2 )
  do ( store1 = 3.255 )  ( resid 19 and name HB1 )
  do ( store1 = 6.586 )  ( resid 19 and name HA )
  do ( store1 = 115.800 )  ( resid 20 and name N )
  do ( store1 = 8.764 )  ( resid 20 and name HN )
  do ( store1 = 54.580 )  ( resid 20 and name CA )
  do ( store1 = 30.380 )  ( resid 20 and name CB )
  do ( store1 = 4.975 )  ( resid 20 and name HA )
  do ( store1 = 1.402 )  ( resid 20 and name HB2 )
  do ( store1 = 1.229 )  ( resid 20 and name HB1 )
  do ( store1 = 0.763 )  ( resid 20 and name HG2 )
  do ( store1 = 0.261 )  ( resid 20 and name HG1 )
  do ( store1 = 23.400 )  ( resid 20 and name CG )
  do ( store1 = 42.900 )  ( resid 20 and name CD )
  do ( store1 = 1.905 )  ( resid 20 and name HD2 )
  do ( store1 = 0.765 )  ( resid 20 and name HD1 )
  do ( store1 = 6.491 )  ( resid 20 and name HE )
  do ( store1 = 87.260 )  ( resid 20 and name NE )
  do ( store1 = 63.880 )  ( resid 21 and name CA )
  do ( store1 = 31.270 )  ( resid 21 and name CB )
  do ( store1 = 176.370 )  ( resid 21 and name C )
  do ( store1 = 28.500 )  ( resid 21 and name CG )
  do ( store1 = 50.620 )  ( resid 21 and name CD )
  do ( store1 = 3.980 )  ( resid 21 and name HA )
  do ( store1 = 1.930 )  ( resid 21 and name HB2 )
  do ( store1 = 1.560 )  ( resid 21 and name HB1 )
  do ( store1 = 2.130 )  ( resid 21 and name HG2 )
  do ( store1 = 1.832 )  ( resid 21 and name HG1 )
  do ( store1 = 3.408 )  ( resid 21 and name HD1 )
  do ( store1 = 3.960 )  ( resid 21 and name HD2 )
  do ( store1 = 126.550 )  ( resid 22 and name N )
  do ( store1 = 8.930 )  ( resid 22 and name HN )
  do ( store1 = 58.090 )  ( resid 22 and name CA )
  do ( store1 = 32.950 )  ( resid 22 and name CB )
  do ( store1 = 177.040 )  ( resid 22 and name C )
  do ( store1 = 29.570 )  ( resid 22 and name CD )
  do ( store1 = 25.040 )  ( resid 22 and name CG )
  do ( store1 = 42.080 )  ( resid 22 and name CE )
  do ( store1 = 3.825 )  ( resid 22 and name HA )
  do ( store1 = 1.503 )  ( resid 22 and name HB2 )
  do ( store1 = 1.214 )  ( resid 22 and name HB1 )
  do ( store1 = 2.846 )  ( resid 22 and name HE* )
  do ( store1 = 1.455 )  ( resid 22 and name HD* )
  do ( store1 = 1.219 )  ( resid 22 and name HG* )
  do ( store1 = 1.278 )  ( resid 22 and name HG2 )
  do ( store1 = 1.181 )  ( resid 22 and name HG1 )
  do ( store1 = 118.490 )  ( resid 23 and name N )
  do ( store1 = 8.731 )  ( resid 23 and name HN )
  do ( store1 = 54.640 )  ( resid 23 and name CA )
  do ( store1 = 37.170 )  ( resid 23 and name CB )
  do ( store1 = 174.340 )  ( resid 23 and name C )
  do ( store1 = 4.361 )  ( resid 23 and name HA )
  do ( store1 = 2.900 )  ( resid 23 and name HB* )
  do ( store1 = 113.000 )  ( resid 23 and name ND2 )
  do ( store1 = 6.825 )  ( resid 23 and name HD21 )
  do ( store1 = 7.500 )  ( resid 23 and name HD22 )
  do ( store1 = 113.720 )  ( resid 24 and name N )
  do ( store1 = 7.588 )  ( resid 24 and name HN )
  do ( store1 = 57.790 )  ( resid 24 and name CA )
  do ( store1 = 65.030 )  ( resid 24 and name CB )
  do ( store1 = 174.340 )  ( resid 24 and name C )
  do ( store1 = 4.403 )  ( resid 24 and name HA )
  do ( store1 = 3.781 )  ( resid 24 and name HB2 )
  do ( store1 = 3.520 )  ( resid 24 and name HB1 )
  do ( store1 = 114.970 )  ( resid 25 and name N )
  do ( store1 = 8.013 )  ( resid 25 and name HN )
  do ( store1 = 60.960 )  ( resid 25 and name CA )
  do ( store1 = 31.380 )  ( resid 25 and name CB )
  do ( store1 = 176.860 )  ( resid 25 and name C )
  do ( store1 = 21.300 )  ( resid 25 and name CG2 )
  do ( store1 = 18.680 )  ( resid 25 and name CG1 )
  do ( store1 = 4.318 )  ( resid 25 and name HA )
  do ( store1 = 2.258 )  ( resid 25 and name HB )
  do ( store1 = 0.782 )  ( resid 25 and name HG2* )
  do ( store1 = 0.713 )  ( resid 25 and name HG1* )
  do ( store1 = 110.520 )  ( resid 26 and name N )
  do ( store1 = 7.862 )  ( resid 26 and name HN )
  do ( store1 = 44.350 )  ( resid 26 and name CA )
  do ( store1 = 173.050 )  ( resid 26 and name C )
  do ( store1 = 4.040 )  ( resid 26 and name HA2 )
  do ( store1 = 3.682 )  ( resid 26 and name HA1 )
  do ( store1 = 118.630 )  ( resid 27 and name N )
  do ( store1 = 8.069 )  ( resid 27 and name HN )
  do ( store1 = 56.170 )  ( resid 27 and name CA )
  do ( store1 = 31.040 )  ( resid 27 and name CB )
  do ( store1 = 176.860 )  ( resid 27 and name C )
  do ( store1 = 27.240 )  ( resid 27 and name CG )
  do ( store1 = 43.370 )  ( resid 27 and name CD )
  do ( store1 = 4.146 )  ( resid 27 and name HA )
  do ( store1 = 1.745 )  ( resid 27 and name HB2 )
  do ( store1 = 1.635 )  ( resid 27 and name HB1 )
  do ( store1 = 3.145 )  ( resid 27 and name HD* )
  do ( store1 = 1.617 )  ( resid 27 and name HG* )
  do ( store1 = 122.030 )  ( resid 28 and name N )
  do ( store1 = 8.266 )  ( resid 28 and name HN )
  do ( store1 = 57.540 )  ( resid 28 and name CA )
  do ( store1 = 29.400 )  ( resid 28 and name CB )
  do ( store1 = 177.590 )  ( resid 28 and name CD1 )
  do ( store1 = 4.090 )  ( resid 28 and name HA )
  do ( store1 = 2.971 )  ( resid 28 and name HB2 )
  do ( store1 = 2.811 )  ( resid 28 and name HB1 )
  do ( store1 = 124.750 )  ( resid 29 and name N )
  do ( store1 = 8.411 )  ( resid 29 and name HN )
  do ( store1 = 55.820 )  ( resid 29 and name CA )
  do ( store1 = 32.460 )  ( resid 29 and name CB )
  do ( store1 = 174.880 )  ( resid 29 and name C )
  do ( store1 = 28.900 )  ( resid 29 and name CD )
  do ( store1 = 25.690 )  ( resid 29 and name CG )
  do ( store1 = 4.123 )  ( resid 29 and name HA )
  do ( store1 = 1.502 )  ( resid 29 and name HD* )
  do ( store1 = 1.115 )  ( resid 29 and name HG* )
  do ( store1 = -0.063 )  ( resid 29 and name HB1 )
  do ( store1 = 0.598 )  ( resid 29 and name HB2 )
  do ( store1 = 2.947 )  ( resid 29 and name HE* )
  do ( store1 = 42.650 )  ( resid 29 and name CE )
  do ( store1 = 117.190 )  ( resid 30 and name N )
  do ( store1 = 7.803 )  ( resid 30 and name HN )
  do ( store1 = 54.690 )  ( resid 30 and name CA )
  do ( store1 = 34.650 )  ( resid 30 and name CB )
  do ( store1 = 175.620 )  ( resid 30 and name C )
  do ( store1 = 37.220 )  ( resid 30 and name CG )
  do ( store1 = 5.634 )  ( resid 30 and name HA )
  do ( store1 = 1.952 )  ( resid 30 and name HG* )
  do ( store1 = 1.756 )  ( resid 30 and name HB* )
  do ( store1 = 126.370 )  ( resid 31 and name N )
  do ( store1 = 9.404 )  ( resid 31 and name HN )
  do ( store1 = 51.620 )  ( resid 31 and name CA )
  do ( store1 = 22.320 )  ( resid 31 and name CB )
  do ( store1 = 175.620 )  ( resid 31 and name C )
  do ( store1 = 4.783 )  ( resid 31 and name HA )
  do ( store1 = 1.505 )  ( resid 31 and name HB* )
  do ( store1 = 117.690 )  ( resid 32 and name N )
  do ( store1 = 8.488 )  ( resid 32 and name HN )
  do ( store1 = 62.370 )  ( resid 32 and name CA )
  do ( store1 = 69.440 )  ( resid 32 and name CB )
  do ( store1 = 174.100 )  ( resid 32 and name C )
  do ( store1 = 21.560 )  ( resid 32 and name CG2 )
  do ( store1 = 4.796 )  ( resid 32 and name HA )
  do ( store1 = 3.963 )  ( resid 32 and name HB )
  do ( store1 = 1.052 )  ( resid 32 and name HG2* )
  do ( store1 = 128.300 )  ( resid 33 and name N )
  do ( store1 = 8.992 )  ( resid 33 and name HN )
  do ( store1 = 57.950 )  ( resid 33 and name CA )
  do ( store1 = 40.190 )  ( resid 33 and name CB )
  do ( store1 = 4.284 )  ( resid 33 and name HA )
  do ( store1 = 1.682 )  ( resid 33 and name HB )
  do ( store1 = 0.573 )  ( resid 33 and name HG2* )
  do ( store1 = 0.956 )  ( resid 33 and name HG12 )
  do ( store1 = 0.347 )  ( resid 33 and name HG11 )
  do ( store1 = 0.241 )  ( resid 33 and name HD1* )
  do ( store1 = 26.580 )  ( resid 33 and name CG1 )
  do ( store1 = 17.220 )  ( resid 33 and name CG2 )
  do ( store1 = 13.810 )  ( resid 33 and name CD1 )
  do ( store1 = 63.210 )  ( resid 34 and name CA )
  do ( store1 = 32.470 )  ( resid 34 and name CB )
  do ( store1 = 177.370 )  ( resid 34 and name C )
  do ( store1 = 27.540 )  ( resid 34 and name CG )
  do ( store1 = 50.860 )  ( resid 34 and name CD )
  do ( store1 = 4.494 )  ( resid 34 and name HA )
  do ( store1 = 2.331 )  ( resid 34 and name HB2 )
  do ( store1 = 2.003 )  ( resid 34 and name HG* )
  do ( store1 = 1.780 )  ( resid 34 and name HB1 )
  do ( store1 = 3.805 )  ( resid 34 and name HD2 )
  do ( store1 = 3.510 )  ( resid 34 and name HD1 )
  do ( store1 = 107.000 )  ( resid 35 and name N )
  do ( store1 = 7.884 )  ( resid 35 and name HN )
  do ( store1 = 46.130 )  ( resid 35 and name CA )
  do ( store1 = 173.390 )  ( resid 35 and name C )
  do ( store1 = 3.723 )  ( resid 35 and name HA* )
  do ( store1 = 115.830 )  ( resid 36 and name N )
  do ( store1 = 7.757 )  ( resid 36 and name HN )
  do ( store1 = 55.930 )  ( resid 36 and name CA )
  do ( store1 = 30.450 )  ( resid 36 and name CB )
  do ( store1 = 175.880 )  ( resid 36 and name C )
  do ( store1 = 3.169 )  ( resid 36 and name HB2 )
  do ( store1 = 2.925 )  ( resid 36 and name HB1 )
  do ( store1 = 4.574 )  ( resid 36 and name HA )
  do ( store1 = 6.940 )  ( resid 36 and name HD2 )
  do ( store1 = 122.620 )  ( resid 37 and name N )
  do ( store1 = 7.431 )  ( resid 37 and name HN )
  do ( store1 = 55.680 )  ( resid 37 and name CA )
  do ( store1 = 42.310 )  ( resid 37 and name CB )
  do ( store1 = 176.800 )  ( resid 37 and name C )
  do ( store1 = 4.081 )  ( resid 37 and name HA )
  do ( store1 = 1.419 )  ( resid 37 and name HB* )
  do ( store1 = 0.762 )  ( resid 37 and name HD2* )
  do ( store1 = 0.635 )  ( resid 37 and name HD1* )
  do ( store1 = 1.090 )  ( resid 37 and name HG )
  do ( store1 = 26.900 )  ( resid 37 and name CG )
  do ( store1 = 25.300 )  ( resid 37 and name CD2 )
  do ( store1 = 23.500 )  ( resid 37 and name CD1 )
  do ( store1 = 116.370 )  ( resid 38 and name N )
  do ( store1 = 8.500 )  ( resid 38 and name HN )
  do ( store1 = 53.770 )  ( resid 38 and name CA )
  do ( store1 = 39.140 )  ( resid 38 and name CB )
  do ( store1 = 174.950 )  ( resid 38 and name C )
  do ( store1 = 4.539 )  ( resid 38 and name HA )
  do ( store1 = 2.697 )  ( resid 38 and name HB* )
  do ( store1 = 112.350 )  ( resid 38 and name ND2 )
  do ( store1 = 7.469 )  ( resid 38 and name HD22 )
  do ( store1 = 6.780 )  ( resid 38 and name HD21 )
  do ( store1 = 112.010 )  ( resid 39 and name N )
  do ( store1 = 7.531 )  ( resid 39 and name HN )
  do ( store1 = 57.740 )  ( resid 39 and name CA )
  do ( store1 = 64.300 )  ( resid 39 and name CB )
  do ( store1 = 172.680 )  ( resid 39 and name C )
  do ( store1 = 4.352 )  ( resid 39 and name HA )
  do ( store1 = 3.703 )  ( resid 39 and name HB* )
  do ( store1 = 123.030 )  ( resid 40 and name N )
  do ( store1 = 7.881 )  ( resid 40 and name HN )
  do ( store1 = 58.770 )  ( resid 40 and name CA )
  do ( store1 = 41.050 )  ( resid 40 and name CB )
  do ( store1 = 173.770 )  ( resid 40 and name C )
  do ( store1 = 2.845 )  ( resid 40 and name HB2 )
  do ( store1 = 2.496 )  ( resid 40 and name HB1 )
  do ( store1 = 4.347 )  ( resid 40 and name HA )
  do ( store1 = 6.546 )  ( resid 40 and name HE* )
  do ( store1 = 6.712 )  ( resid 40 and name HD* )
  do ( store1 = 118.230 )  ( resid 40 and name CE* )
  do ( store1 = 132.810 )  ( resid 40 and name CD* )
  do ( store1 = 121.710 )  ( resid 41 and name N )
  do ( store1 = 7.344 )  ( resid 41 and name HN )
  do ( store1 = 61.450 )  ( resid 41 and name CA )
  do ( store1 = 70.480 )  ( resid 41 and name CB )
  do ( store1 = 172.400 )  ( resid 41 and name C )
  do ( store1 = 21.240 )  ( resid 41 and name CG2 )
  do ( store1 = 3.644 )  ( resid 41 and name HB )
  do ( store1 = 0.895 )  ( resid 41 and name HG2* )
  do ( store1 = 4.144 )  ( resid 41 and name HA )
  do ( store1 = 125.910 )  ( resid 42 and name N )
  do ( store1 = 8.056 )  ( resid 42 and name HN )
  do ( store1 = 60.430 )  ( resid 42 and name CA )
  do ( store1 = 38.290 )  ( resid 42 and name CB )
  do ( store1 = 175.500 )  ( resid 42 and name C )
  do ( store1 = 26.940 )  ( resid 42 and name CG1 )
  do ( store1 = 17.300 )  ( resid 42 and name CG2 )
  do ( store1 = 12.740 )  ( resid 42 and name CD1 )
  do ( store1 = 3.731 )  ( resid 42 and name HA )
  do ( store1 = 1.195 )  ( resid 42 and name HB )
  do ( store1 = 0.158 )  ( resid 42 and name HG2* )
  do ( store1 = -0.030 )  ( resid 42 and name HD1* )
  do ( store1 = 0.457 )  ( resid 42 and name HG11 )
  do ( store1 = 1.020 )  ( resid 42 and name HG12 )
  do ( store1 = 127.960 )  ( resid 43 and name N )
  do ( store1 = 8.371 )  ( resid 43 and name HN )
  do ( store1 = 56.320 )  ( resid 43 and name CA )
  do ( store1 = 33.450 )  ( resid 43 and name CB )
  do ( store1 = 4.230 )  ( resid 43 and name HA )
  do ( store1 = 1.710 )  ( resid 43 and name HB* )
  do ( store1 = 1.380 )  ( resid 43 and name HG2 )
  do ( store1 = 1.290 )  ( resid 43 and name HG1 )
  do ( store1 = 2.910 )  ( resid 43 and name HE* )
  do ( store1 = 1.600 )  ( resid 43 and name HD* )
  do ( store1 = 25.050 )  ( resid 43 and name CG )
  do ( store1 = 28.900 )  ( resid 43 and name CD )
  do ( store1 = 42.080 )  ( resid 43 and name CE )
  do ( store1 = 45.900 )  ( resid 44 and name CA )
  do ( store1 = 175.310 )  ( resid 44 and name C )
  do ( store1 = 4.101 )  ( resid 44 and name HA2 )
  do ( store1 = 3.733 )  ( resid 44 and name HA1 )
  do ( store1 = 120.050 )  ( resid 45 and name N )
  do ( store1 = 7.738 )  ( resid 45 and name HN )
  do ( store1 = 54.580 )  ( resid 45 and name CA )
  do ( store1 = 41.820 )  ( resid 45 and name CB )
  do ( store1 = 177.020 )  ( resid 45 and name C )
  do ( store1 = 25.990 )  ( resid 45 and name CD2 )
  do ( store1 = 20.680 )  ( resid 45 and name CD1 )
  do ( store1 = 4.243 )  ( resid 45 and name HA )
  do ( store1 = 1.576 )  ( resid 45 and name HB2 )
  do ( store1 = 1.014 )  ( resid 45 and name HB1 )
  do ( store1 = 0.388 )  ( resid 45 and name HD2* )
  do ( store1 = -0.203 )  ( resid 45 and name HD1* )
  do ( store1 = 1.090 )  ( resid 45 and name HG )
  do ( store1 = 26.050 )  ( resid 45 and name CG )
  do ( store1 = 124.710 )  ( resid 46 and name N )
  do ( store1 = 8.650 )  ( resid 46 and name HN )
  do ( store1 = 53.460 )  ( resid 46 and name CA )
  do ( store1 = 33.650 )  ( resid 46 and name CB )
  do ( store1 = 4.740 )  ( resid 46 and name HA )
  do ( store1 = 1.710 )  ( resid 46 and name HB1 )
  do ( store1 = 1.520 )  ( resid 46 and name HG2 )
  do ( store1 = 1.820 )  ( resid 46 and name HB2 )
  do ( store1 = 1.440 )  ( resid 46 and name HG1 )
  do ( store1 = 1.640 )  ( resid 46 and name HD* )
  do ( store1 = 2.970 )  ( resid 46 and name HE* )
  do ( store1 = 24.900 )  ( resid 46 and name CG )
  do ( store1 = 29.300 )  ( resid 46 and name CD )
  do ( store1 = 42.400 )  ( resid 46 and name CE )
  do ( store1 = 63.270 )  ( resid 47 and name CA )
  do ( store1 = 32.090 )  ( resid 47 and name CB )
  do ( store1 = 177.430 )  ( resid 47 and name C )
  do ( store1 = 27.580 )  ( resid 47 and name CG )
  do ( store1 = 51.230 )  ( resid 47 and name CD )
  do ( store1 = 4.506 )  ( resid 47 and name HA )
  do ( store1 = 2.207 )  ( resid 47 and name HB2 )
  do ( store1 = 1.880 )  ( resid 47 and name HB1 )
  do ( store1 = 2.050 )  ( resid 47 and name HG2 )
  do ( store1 = 1.940 )  ( resid 47 and name HG1 )
  do ( store1 = 3.920 )  ( resid 47 and name HD2 )
  do ( store1 = 3.670 )  ( resid 47 and name HD1 )
  do ( store1 = 111.390 )  ( resid 48 and name N )
  do ( store1 = 8.704 )  ( resid 48 and name HN )
  do ( store1 = 45.730 )  ( resid 48 and name CA )
  do ( store1 = 173.610 )  ( resid 48 and name C )
  do ( store1 = 4.094 )  ( resid 48 and name HA2 )
  do ( store1 = 3.594 )  ( resid 48 and name HA1 )
  do ( store1 = 121.490 )  ( resid 49 and name N )
  do ( store1 = 7.123 )  ( resid 49 and name HN )
  do ( store1 = 62.000 )  ( resid 49 and name CA )
  do ( store1 = 33.570 )  ( resid 49 and name CB )
  do ( store1 = 174.640 )  ( resid 49 and name C )
  do ( store1 = 22.410 )  ( resid 49 and name CG2 )
  do ( store1 = 20.010 )  ( resid 49 and name CG1 )
  do ( store1 = 3.828 )  ( resid 49 and name HA )
  do ( store1 = 1.853 )  ( resid 49 and name HB )
  do ( store1 = 0.691 )  ( resid 49 and name HG2* )
  do ( store1 = 0.086 )  ( resid 49 and name HG1* )
  do ( store1 = 125.900 )  ( resid 50 and name N )
  do ( store1 = 8.097 )  ( resid 50 and name HN )
  do ( store1 = 62.160 )  ( resid 50 and name CA )
  do ( store1 = 31.630 )  ( resid 50 and name CB )
  do ( store1 = 174.900 )  ( resid 50 and name C )
  do ( store1 = 21.700 )  ( resid 50 and name CG2 )
  do ( store1 = 4.045 )  ( resid 50 and name HA )
  do ( store1 = 1.716 )  ( resid 50 and name HB )
  do ( store1 = 0.740 )  ( resid 50 and name HG2* )
  do ( store1 = 0.784 )  ( resid 50 and name HG1* )
  do ( store1 = 21.000 )  ( resid 50 and name CG1 )
  do ( store1 = 128.610 )  ( resid 51 and name N )
  do ( store1 = 9.220 )  ( resid 51 and name HN )
  do ( store1 = 58.010 )  ( resid 51 and name CA )
  do ( store1 = 40.100 )  ( resid 51 and name CB )
  do ( store1 = 174.750 )  ( resid 51 and name C )
  do ( store1 = 2.062 )  ( resid 51 and name HB2 )
  do ( store1 = 0.841 )  ( resid 51 and name HB1 )
  do ( store1 = 4.411 )  ( resid 51 and name HA )
  do ( store1 = 6.553 )  ( resid 51 and name HD* )
  do ( store1 = 6.866 )  ( resid 51 and name HE* )
  do ( store1 = 118.120 )  ( resid 51 and name CE* )
  do ( store1 = 132.950 )  ( resid 51 and name CD* )
  do ( store1 = 118.750 )  ( resid 52 and name N )
  do ( store1 = 9.026 )  ( resid 52 and name HN )
  do ( store1 = 54.720 )  ( resid 52 and name CA )
  do ( store1 = 32.420 )  ( resid 52 and name CB )
  do ( store1 = 175.470 )  ( resid 52 and name C )
  do ( store1 = 36.400 )  ( resid 52 and name CG )
  do ( store1 = 5.176 )  ( resid 52 and name HA )
  do ( store1 = 2.183 )  ( resid 52 and name HG* )
  do ( store1 = 2.070 )  ( resid 52 and name HB2 )
  do ( store1 = 1.970 )  ( resid 52 and name HB1 )
  do ( store1 = 2.000 )  ( resid 52 and name HB* )
  do ( store1 = 108.850 )  ( resid 53 and name N )
  do ( store1 = 9.246 )  ( resid 53 and name HN )
  do ( store1 = 43.560 )  ( resid 53 and name CA )
  do ( store1 = 173.560 )  ( resid 53 and name C )
  do ( store1 = 5.873 )  ( resid 53 and name HA2 )
  do ( store1 = 3.000 )  ( resid 53 and name HA1 )
  do ( store1 = 119.610 )  ( resid 54 and name N )
  do ( store1 = 9.191 )  ( resid 54 and name HN )
  do ( store1 = 54.350 )  ( resid 54 and name CA )
  do ( store1 = 32.120 )  ( resid 54 and name CB )
  do ( store1 = 173.900 )  ( resid 54 and name C )
  do ( store1 = 33.570 )  ( resid 54 and name CG )
  do ( store1 = 4.976 )  ( resid 54 and name HA )
  do ( store1 = 1.898 )  ( resid 54 and name HG* )
  do ( store1 = 1.561 )  ( resid 54 and name HB* )
  do ( store1 = 110.120 )  ( resid 54 and name NE2 )
  do ( store1 = 6.355 )  ( resid 54 and name HE2* )
  do ( store1 = 125.270 )  ( resid 55 and name N )
  do ( store1 = 9.206 )  ( resid 55 and name HN )
  do ( store1 = 53.340 )  ( resid 55 and name CA )
  do ( store1 = 45.420 )  ( resid 55 and name CB )
  do ( store1 = 175.210 )  ( resid 55 and name C )
  do ( store1 = 26.320 )  ( resid 55 and name CD2 )
  do ( store1 = 24.180 )  ( resid 55 and name CD1 )
  do ( store1 = 5.374 )  ( resid 55 and name HA )
  do ( store1 = 2.035 )  ( resid 55 and name HB2 )
  do ( store1 = 1.473 )  ( resid 55 and name HG )
  do ( store1 = 1.241 )  ( resid 55 and name HB1 )
  do ( store1 = 0.679 )  ( resid 55 and name HD2* )
  do ( store1 = 0.737 )  ( resid 55 and name HD1* )
  do ( store1 = 27.750 )  ( resid 55 and name CG )
  do ( store1 = 130.520 )  ( resid 56 and name N )
  do ( store1 = 9.862 )  ( resid 56 and name HN )
  do ( store1 = 60.520 )  ( resid 56 and name CA )
  do ( store1 = 39.380 )  ( resid 56 and name CB )
  do ( store1 = 175.680 )  ( resid 56 and name C )
  do ( store1 = 28.300 )  ( resid 56 and name CG1 )
  do ( store1 = 18.060 )  ( resid 56 and name CG2 )
  do ( store1 = 13.630 )  ( resid 56 and name CD1 )
  do ( store1 = 4.887 )  ( resid 56 and name HA )
  do ( store1 = 0.662 )  ( resid 56 and name HG2* )
  do ( store1 = 0.988 )  ( resid 56 and name HG11 )
  do ( store1 = 1.385 )  ( resid 56 and name HG12 )
  do ( store1 = 1.894 )  ( resid 56 and name HB )
  do ( store1 = 0.618 )  ( resid 56 and name HD1* )
  do ( store1 = 122.370 )  ( resid 57 and name N )
  do ( store1 = 9.069 )  ( resid 57 and name HN )
  do ( store1 = 56.760 )  ( resid 57 and name CA )
  do ( store1 = 64.330 )  ( resid 57 and name CB )
  do ( store1 = 173.870 )  ( resid 57 and name C )
  do ( store1 = 4.745 )  ( resid 57 and name HA )
  do ( store1 = 3.716 )  ( resid 57 and name HB* )
  do ( store1 = 126.070 )  ( resid 58 and name N )
  do ( store1 = 8.335 )  ( resid 58 and name HN )
  do ( store1 = 61.170 )  ( resid 58 and name CA )
  do ( store1 = 37.610 )  ( resid 58 and name CB )
  do ( store1 = 175.680 )  ( resid 58 and name C )
  do ( store1 = 27.850 )  ( resid 58 and name CG1 )
  do ( store1 = 17.260 )  ( resid 58 and name CG2 )
  do ( store1 = 12.800 )  ( resid 58 and name CD1 )
  do ( store1 = 4.256 )  ( resid 58 and name HA )
  do ( store1 = 1.726 )  ( resid 58 and name HB )
  do ( store1 = 1.263 )  ( resid 58 and name HG12 )
  do ( store1 = 0.764 )  ( resid 58 and name HG2* )
  do ( store1 = 0.862 )  ( resid 58 and name HG11 )
  do ( store1 = 0.606 )  ( resid 58 and name HD1* )
  do ( store1 = 125.780 )  ( resid 59 and name N )
  do ( store1 = 8.458 )  ( resid 59 and name HN )
  do ( store1 = 54.850 )  ( resid 59 and name CA )
  do ( store1 = 30.260 )  ( resid 59 and name CB )
  do ( store1 = 176.530 )  ( resid 59 and name C )
  do ( store1 = 33.980 )  ( resid 59 and name CG )
  do ( store1 = 4.577 )  ( resid 59 and name HA )
  do ( store1 = 2.216 )  ( resid 59 and name HB2 )
  do ( store1 = 1.848 )  ( resid 59 and name HB1 )
  do ( store1 = 2.280 )  ( resid 59 and name HG2 )
  do ( store1 = 2.200 )  ( resid 59 and name HG1 )
  do ( store1 = 111.250 )  ( resid 59 and name NE2 )
  do ( store1 = 7.269 )  ( resid 59 and name HE22 )
  do ( store1 = 6.714 )  ( resid 59 and name HE21 )
  do ( store1 = 120.530 )  ( resid 60 and name N )
  do ( store1 = 8.357 )  ( resid 60 and name HN )
  do ( store1 = 58.010 )  ( resid 60 and name CA )
  do ( store1 = 28.760 )  ( resid 60 and name CB )
  do ( store1 = 176.200 )  ( resid 60 and name C )
  do ( store1 = 33.140 )  ( resid 60 and name CG )
  do ( store1 = 3.840 )  ( resid 60 and name HA )
  do ( store1 = 1.927 )  ( resid 60 and name HG2 )
  do ( store1 = 1.750 )  ( resid 60 and name HB2 )
  do ( store1 = 1.593 )  ( resid 60 and name HB1 )
  do ( store1 = 1.758 )  ( resid 60 and name HG1 )
  do ( store1 = 111.330 )  ( resid 60 and name NE2 )
  do ( store1 = 7.185 )  ( resid 60 and name HE22 )
  do ( store1 = 6.675 )  ( resid 60 and name HE21 )
  do ( store1 = 115.890 )  ( resid 61 and name N )
  do ( store1 = 8.116 )  ( resid 61 and name HN )
  do ( store1 = 57.750 )  ( resid 61 and name CA )
  do ( store1 = 36.820 )  ( resid 61 and name CB )
  do ( store1 = 176.270 )  ( resid 61 and name C )
  do ( store1 = 3.183 )  ( resid 61 and name HB2 )
  do ( store1 = 2.947 )  ( resid 61 and name HB1 )
  do ( store1 = 4.460 )  ( resid 61 and name HA )
  do ( store1 = 6.722 )  ( resid 61 and name HE* )
  do ( store1 = 7.032 )  ( resid 61 and name HD* )
  do ( store1 = 133.130 )  ( resid 61 and name CD* )
  do ( store1 = 118.270 )  ( resid 61 and name CE* )
  do ( store1 = 107.580 )  ( resid 62 and name N )
  do ( store1 = 7.923 )  ( resid 62 and name HN )
  do ( store1 = 45.440 )  ( resid 62 and name CA )
  do ( store1 = 173.950 )  ( resid 62 and name C )
  do ( store1 = 4.128 )  ( resid 62 and name HA2 )
  do ( store1 = 3.542 )  ( resid 62 and name HA1 )
  do ( store1 = 120.270 )  ( resid 63 and name N )
  do ( store1 = 7.610 )  ( resid 63 and name HN )
  do ( store1 = 56.630 )  ( resid 63 and name CA )
  do ( store1 = 31.270 )  ( resid 63 and name CB )
  do ( store1 = 174.240 )  ( resid 63 and name C )
  do ( store1 = 2.960 )  ( resid 63 and name HB* )
  do ( store1 = 4.500 )  ( resid 63 and name HA )
  do ( store1 = 122.080 )  ( resid 64 and name N )
  do ( store1 = 8.093 )  ( resid 64 and name HN )
  do ( store1 = 54.450 )  ( resid 64 and name CA )
  do ( store1 = 31.280 )  ( resid 64 and name CB )
  do ( store1 = 33.700 )  ( resid 64 and name CG )
  do ( store1 = 5.030 )  ( resid 64 and name HA )
  do ( store1 = 2.185 )  ( resid 64 and name HG2 )
  do ( store1 = 2.050 )  ( resid 64 and name HG1 )
  do ( store1 = 1.730 )  ( resid 64 and name HB1 )
  do ( store1 = 1.785 )  ( resid 64 and name HB2 )
  do ( store1 = 110.000 )  ( resid 64 and name NE2 )
  do ( store1 = 7.189 )  ( resid 64 and name HE22 )
  do ( store1 = 6.537 )  ( resid 64 and name HE21 )
  do ( store1 = 1.757 )  ( resid 64 and name HB* )
  do ( store1 = 55.260 )  ( resid 65 and name CA )
  do ( store1 = 32.710 )  ( resid 65 and name CB )
  do ( store1 = 174.930 )  ( resid 65 and name C )
  do ( store1 = 36.350 )  ( resid 65 and name CG )
  do ( store1 = 4.570 )  ( resid 65 and name HA )
  do ( store1 = 2.170 )  ( resid 65 and name HG* )
  do ( store1 = 2.020 )  ( resid 65 and name HB2 )
  do ( store1 = 1.860 )  ( resid 65 and name HB1 )
  do ( store1 = 124.860 )  ( resid 66 and name N )
  do ( store1 = 8.747 )  ( resid 66 and name HN )
  do ( store1 = 62.000 )  ( resid 66 and name CA )
  do ( store1 = 34.130 )  ( resid 66 and name CB )
  do ( store1 = 21.480 )  ( resid 66 and name CG2 )
  do ( store1 = 20.840 )  ( resid 66 and name CG1 )
  do ( store1 = 4.840 )  ( resid 66 and name HA )
  do ( store1 = 0.730 )  ( resid 66 and name HG1* )
  do ( store1 = 0.830 )  ( resid 66 and name HG2* )
  do ( store1 = 1.920 )  ( resid 66 and name HB )
  do ( store1 = 71.090 )  ( resid 67 and name CB )
  do ( store1 = 173.020 )  ( resid 67 and name C )
  do ( store1 = 21.640 )  ( resid 67 and name CG2 )
  do ( store1 = 1.270 )  ( resid 67 and name HG2* )
  do ( store1 = 4.092 )  ( resid 67 and name HB )
  do ( store1 = 4.680 )  ( resid 67 and name HA )
  do ( store1 = 8.908 )  ( resid 67 and name HN )
  do ( store1 = 126.000 )  ( resid 68 and name N )
  do ( store1 = 8.759 )  ( resid 68 and name HN )
  do ( store1 = 55.540 )  ( resid 68 and name CA )
  do ( store1 = 32.550 )  ( resid 68 and name CB )
  do ( store1 = 175.440 )  ( resid 68 and name C )
  do ( store1 = 28.250 )  ( resid 68 and name CG )
  do ( store1 = 43.350 )  ( resid 68 and name CD )
  do ( store1 = 5.146 )  ( resid 68 and name HA )
  do ( store1 = 2.022 )  ( resid 68 and name HB2 )
  do ( store1 = 1.749 )  ( resid 68 and name HB1 )
  do ( store1 = 1.495 )  ( resid 68 and name HG1 )
  do ( store1 = 3.198 )  ( resid 68 and name HD* )
  do ( store1 = 1.634 )  ( resid 68 and name HG2 )
  do ( store1 = 118.950 )  ( resid 69 and name N )
  do ( store1 = 7.991 )  ( resid 69 and name HN )
  do ( store1 = 56.290 )  ( resid 69 and name CA )
  do ( store1 = 39.860 )  ( resid 69 and name CB )
  do ( store1 = 172.300 )  ( resid 69 and name C )
  do ( store1 = 4.938 )  ( resid 69 and name HA )
  do ( store1 = 3.294 )  ( resid 69 and name HB2 )
  do ( store1 = 3.118 )  ( resid 69 and name HB1 )
  do ( store1 = 6.895 )  ( resid 69 and name HD* )
  do ( store1 = 6.837 )  ( resid 69 and name HE* )
  do ( store1 = 6.672 )  ( resid 69 and name HZ )
  do ( store1 = 128.030 )  ( resid 69 and name CZ )
  do ( store1 = 130.600 )  ( resid 69 and name CE* )
  do ( store1 = 132.920 )  ( resid 69 and name CD* )
  do ( store1 = 3.190 )  ( resid 69 and name HB* )
  do ( store1 = 120.110 )  ( resid 70 and name N )
  do ( store1 = 8.570 )  ( resid 70 and name HN )
  do ( store1 = 52.760 )  ( resid 70 and name CA )
  do ( store1 = 42.900 )  ( resid 70 and name CB )
  do ( store1 = 176.710 )  ( resid 70 and name C )
  do ( store1 = 5.983 )  ( resid 70 and name HA )
  do ( store1 = 2.538 )  ( resid 70 and name HB* )
  do ( store1 = 116.700 )  ( resid 71 and name N )
  do ( store1 = 9.475 )  ( resid 71 and name HN )
  do ( store1 = 57.100 )  ( resid 71 and name CA )
  do ( store1 = 41.750 )  ( resid 71 and name CB )
  do ( store1 = 172.220 )  ( resid 71 and name C )
  do ( store1 = 3.265 )  ( resid 71 and name HB* )
  do ( store1 = 5.290 )  ( resid 71 and name HA )
  do ( store1 = 6.420 )  ( resid 71 and name HZ )
  do ( store1 = 6.740 )  ( resid 71 and name HE* )
  do ( store1 = 6.888 )  ( resid 71 and name HD* )
  do ( store1 = 129.050 )  ( resid 71 and name CZ )
  do ( store1 = 130.670 )  ( resid 71 and name CE* )
  do ( store1 = 132.920 )  ( resid 71 and name CD* )
  do ( store1 = 110.540 )  ( resid 72 and name N )
  do ( store1 = 8.623 )  ( resid 72 and name HN )
  do ( store1 = 59.680 )  ( resid 72 and name CA )
  do ( store1 = 72.550 )  ( resid 72 and name CB )
  do ( store1 = 175.230 )  ( resid 72 and name C )
  do ( store1 = 21.070 )  ( resid 72 and name CG2 )
  do ( store1 = 5.007 )  ( resid 72 and name HA )
  do ( store1 = 4.473 )  ( resid 72 and name HB )
  do ( store1 = 1.165 )  ( resid 72 and name HG2* )
  do ( store1 = 111.590 )  ( resid 73 and name N )
  do ( store1 = 9.434 )  ( resid 73 and name HN )
  do ( store1 = 63.160 )  ( resid 73 and name CA )
  do ( store1 = 69.190 )  ( resid 73 and name CB )
  do ( store1 = 175.600 )  ( resid 73 and name C )
  do ( store1 = 23.150 )  ( resid 73 and name CG2 )
  do ( store1 = 4.340 )  ( resid 73 and name HA )
  do ( store1 = 1.123 )  ( resid 73 and name HG2* )
  do ( store1 = 4.310 )  ( resid 73 and name HB )
  do ( store1 = 112.180 )  ( resid 74 and name N )
  do ( store1 = 8.116 )  ( resid 74 and name HN )
  do ( store1 = 61.630 )  ( resid 74 and name CA )
  do ( store1 = 69.700 )  ( resid 74 and name CB )
  do ( store1 = 174.900 )  ( resid 74 and name C )
  do ( store1 = 21.500 )  ( resid 74 and name CG2 )
  do ( store1 = 4.301 )  ( resid 74 and name HB )
  do ( store1 = 4.486 )  ( resid 74 and name HA )
  do ( store1 = 1.144 )  ( resid 74 and name HG2* )
  do ( store1 = 118.450 )  ( resid 75 and name N )
  do ( store1 = 8.067 )  ( resid 75 and name HN )
  do ( store1 = 59.180 )  ( resid 75 and name CA )
  do ( store1 = 64.390 )  ( resid 75 and name CB )
  do ( store1 = 174.090 )  ( resid 75 and name C )
  do ( store1 = 3.895 )  ( resid 75 and name HB* )
  do ( store1 = 4.540 )  ( resid 75 and name HA )
  do ( store1 = 114.140 )  ( resid 76 and name N )
  do ( store1 = 8.201 )  ( resid 76 and name HN )
  do ( store1 = 61.630 )  ( resid 76 and name CA )
  do ( store1 = 70.210 )  ( resid 76 and name CB )
  do ( store1 = 174.290 )  ( resid 76 and name C )
  do ( store1 = 21.710 )  ( resid 76 and name CG2 )
  do ( store1 = 4.219 )  ( resid 76 and name HB )
  do ( store1 = 4.573 )  ( resid 76 and name HA )
  do ( store1 = 1.139 )  ( resid 76 and name HG2* )
  do ( store1 = 117.660 )  ( resid 77 and name N )
  do ( store1 = 8.414 )  ( resid 77 and name HN )
  do ( store1 = 58.140 )  ( resid 77 and name CA )
  do ( store1 = 64.230 )  ( resid 77 and name CB )
  do ( store1 = 174.160 )  ( resid 77 and name C )
  do ( store1 = 4.540 )  ( resid 77 and name HA )
  do ( store1 = 3.800 )  ( resid 77 and name HB* )
  do ( store1 = 117.530 )  ( resid 78 and name N )
  do ( store1 = 8.197 )  ( resid 78 and name HN )
  do ( store1 = 59.890 )  ( resid 78 and name CA )
  do ( store1 = 69.600 )  ( resid 78 and name CB )
  do ( store1 = 4.114 )  ( resid 78 and name HB )
  do ( store1 = 1.154 )  ( resid 78 and name HG2* )
  do ( store1 = 4.580 )  ( resid 78 and name HA )
  do ( store1 = 21.600 )  ( resid 78 and name CG2 )
  do ( store1 = 63.900 )  ( resid 79 and name CA )
  do ( store1 = 32.150 )  ( resid 79 and name CB )
  do ( store1 = 177.590 )  ( resid 79 and name C )
  do ( store1 = 27.560 )  ( resid 79 and name CG )
  do ( store1 = 4.330 )  ( resid 79 and name HA )
  do ( store1 = 2.220 )  ( resid 79 and name HB2 )
  do ( store1 = 1.880 )  ( resid 79 and name HB1 )
  do ( store1 = 1.978 )  ( resid 79 and name HG* )
  do ( store1 = 3.642 )  ( resid 79 and name HD1 )
  do ( store1 = 3.784 )  ( resid 79 and name HD2 )
  do ( store1 = 51.000 )  ( resid 79 and name CD )
  do ( store1 = 109.600 )  ( resid 80 and name N )
  do ( store1 = 8.480 )  ( resid 80 and name HN )
  do ( store1 = 45.300 )  ( resid 80 and name CA )
  do ( store1 = 3.917 )  ( resid 80 and name HA* )
  do ( store1 = 58.300 )  ( resid 81 and name CA )
  do ( store1 = 63.900 )  ( resid 81 and name CB )
  do ( store1 = 4.352 )  ( resid 81 and name HA )
  do ( store1 = 3.757 )  ( resid 81 and name HB* )
  do ( store1 = 56.140 )  ( resid 82 and name CA )
  do ( store1 = 30.800 )  ( resid 82 and name CB )
  do ( store1 = 176.350 )  ( resid 82 and name C )
  do ( store1 = 27.140 )  ( resid 82 and name CG )
  do ( store1 = 43.380 )  ( resid 82 and name CD )
  do ( store1 = 4.320 )  ( resid 82 and name HA )
  do ( store1 = 1.770 )  ( resid 82 and name HB2 )
  do ( store1 = 1.650 )  ( resid 82 and name HB1 )
  do ( store1 = 1.530 )  ( resid 82 and name HG* )
  do ( store1 = 3.080 )  ( resid 82 and name HD* )
  do ( store1 = 116.470 )  ( resid 83 and name N )
  do ( store1 = 8.200 )  ( resid 83 and name HN )
  do ( store1 = 58.200 )  ( resid 83 and name CA )
  do ( store1 = 63.700 )  ( resid 83 and name CB )
  do ( store1 = 4.350 )  ( resid 83 and name HA )
  do ( store1 = 3.750 )  ( resid 83 and name HB* )
  do ( store1 = 56.250 )  ( resid 88 and name CA )
  do ( store1 = 30.690 )  ( resid 88 and name CB )
  do ( store1 = 174.110 )  ( resid 88 and name C )
  do ( store1 = 4.510 )  ( resid 88 and name HA )
  do ( store1 = 2.970 )  ( resid 88 and name HB* )
  do ( store1 = 125.600 )  ( resid 89 and name N )
  do ( store1 = 7.880 )  ( resid 89 and name HN )
  do ( store1 = 57.400 )  ( resid 89 and name CA )
  do ( store1 = 30.920 )  ( resid 89 and name CB )
  do ( store1 = 4.344 )  ( resid 89 and name HA )
  do ( store1 = 3.079 )  ( resid 89 and name HB2 )
  do ( store1 = 2.944 )  ( resid 89 and name HB1 )
  do ( store1 = 7.017 )  ( resid 19 and name HH2 )
  do ( store1 = 7.330 )  ( resid 19 and name HZ2 )
  do ( store1 = 7.161 )  ( resid 19 and name HE3 )
  do ( store1 = 6.805 )  ( resid 19 and name HZ3 )
  do ( store1 = 114.900 )  ( resid 19 and name CZ2 )
  do ( store1 = 121.700 )  ( resid 19 and name CE3 )
  do ( store1 = 121.630 )  ( resid 19 and name CZ3 )
  do ( store1 = 124.020 )  ( resid 19 and name CH2 )
  do ( store1 = 125.460 )  ( resid 19 and name CD1 )
  do ( store1 = 6.618 )  ( resid 19 and name HD1 )
  do ( store1 = 128.510 )  ( resid 19 and name NE1 )
  do ( store1 = 9.836 )  ( resid 19 and name HE1 )
  do ( store1 = 6.938 )  ( resid 28 and name HH2 )
  do ( store1 = 7.298 )  ( resid 28 and name HZ2 )
  do ( store1 = 7.219 )  ( resid 28 and name HE3 )
  do ( store1 = 6.924 )  ( resid 28 and name HZ3 )
  do ( store1 = 114.760 )  ( resid 28 and name CZ2 )
  do ( store1 = 119.420 )  ( resid 28 and name CE3 )
  do ( store1 = 121.590 )  ( resid 28 and name CZ3 )
  do ( store1 = 124.310 )  ( resid 28 and name CH2 )
  do ( store1 = 128.000 )  ( resid 28 and name CD1 )
  do ( store1 = 7.291 )  ( resid 28 and name HD1 )
  do ( store1 = 130.350 )  ( resid 28 and name NE1 )
  do ( store1 = 10.004 )  ( resid 28 and name HE1 )


REMARK noe peaks generated by Felix 99.0 from ana_0418.dba database             
REMARK using 0.150E+00 seconds mixing time                                      
REMARK vweak < 4.2 , upper limit 6.0                                            
REMARK weak < 3.6 , upper limit 5.0                                             
REMARK medium < 3.0 , upper limit 3.6                                           
REMARK strong < 2.5 , upper limit 2.7                                           
REMARK dnoe: 2.922093 position 4.507861 3.708524                                
ASSI { 2 }                                                                      
     ( attr rmsd >= 3.648524 and attr rmsd <= 3.768524 )                        
     (( attr rmsd >= 4.467861 and attr rmsd <= 4.547861 )                       
     and bondedto ( attr rmsd >= 49.91522 and attr rmsd <= 51.51522 ))
      3.0 3.0 0.5999999                                                         
      peak 2 ppm1 3.708524 ppm2 4.507861 volume 12200000 weight 1.0             
REMARK dnoe: 3.010607 position 4.508025 3.554088                                
ASSI { 3 }                                                                      
     ( attr rmsd >= 3.494088 and attr rmsd <= 3.614088 )                        
     (( attr rmsd >= 4.468025 and attr rmsd <= 4.548025 )                       
     and bondedto ( attr rmsd >= 49.91522 and attr rmsd <= 51.51522 ))
      3.6 3.6 1.4                                                               
      peak 3 ppm1 3.554088 ppm2 4.508025 volume 10200000 weight 1.0             
REMARK dnoe: 2.795897 position 4.506759 1.265165                                
ASSI { 4 }                                                                      
     ( attr rmsd >= 1.205165 and attr rmsd <= 1.325165 )                        
     (( attr rmsd >= 4.466759 and attr rmsd <= 4.546759 )                       
     and bondedto ( attr rmsd >= 49.93885 and attr rmsd <= 51.53885 ))
      3.0 3.0 0.5999999                                                         
      peak 4 ppm1 1.265165 ppm2 4.506759 volume 15899999 weight 1.0             
REMARK dnoe: 2.823181 position 3.931607 4.765886                                
ASSI { 5 }                                                                      
     ( attr rmsd >= 4.705886 and attr rmsd <= 4.825886 )                        
     (( attr rmsd >= 3.891607 and attr rmsd <= 3.971607 )                       
     and bondedto ( attr rmsd >= 50.01738 and attr rmsd <= 51.61738 ))
      3.0 3.0 0.5999999                                                         
      peak 5 ppm1 4.765886 ppm2 3.931607 volume 15000001 weight 1.0             
REMARK dnoe: 2.807795 position 3.689429 4.765886                                
ASSI { 6 }                                                                      
     ( attr rmsd >= 4.705886 and attr rmsd <= 4.825886 )                        
     (( attr rmsd >= 3.649429 and attr rmsd <= 3.729429 )                       
     and bondedto ( attr rmsd >= 50.01738 and attr rmsd <= 51.61738 ))
      3.0 3.0 0.5999999                                                         
      peak 6 ppm1 4.765886 ppm2 3.689429 volume 15500000 weight 1.0             
REMARK dnoe: 2.58762 position 3.927738 3.690888                                 
ASSI { 7 }                                                                      
     ( attr rmsd >= 3.630888 and attr rmsd <= 3.750888 )                        
     (( attr rmsd >= 3.887738 and attr rmsd <= 3.967738 )                       
     and bondedto ( attr rmsd >= 50.02831 and attr rmsd <= 51.62831 ))
      3.0 3.0 0.5999999                                                         
      peak 7 ppm1 3.690888 ppm2 3.927738 volume 25300000 weight 1.0             
REMARK dnoe: 2.536763 position 3.685888 3.917612                                
ASSI { 8 }                                                                      
     ( attr rmsd >= 3.857612 and attr rmsd <= 3.977612 )                        
     (( attr rmsd >= 3.645888 and attr rmsd <= 3.725888 )                       
     and bondedto ( attr rmsd >= 50.07447 and attr rmsd <= 51.67447 ))
      3.0 3.0 0.5999999                                                         
      peak 8 ppm1 3.917612 ppm2 3.685888 volume 28500000 weight 1.0             
REMARK dnoe: 2.914185 position 3.525216 4.25379                                 
ASSI { 9 }                                                                      
     ( attr rmsd >= 4.19379 and attr rmsd <= 4.31379 )                          
     (( attr rmsd >= 3.485216 and attr rmsd <= 3.565216 )                       
     and bondedto ( attr rmsd >= 50.01891 and attr rmsd <= 51.61891 ))
      3.0 3.0 0.5999999                                                         
      peak 9 ppm1 4.25379 ppm2 3.525216 volume 12400000 weight 1.0              
REMARK dnoe: 2.422271 position 3.521042 3.798385                                
ASSI { 10 }                                                                     
     ( attr rmsd >= 3.738385 and attr rmsd <= 3.858385 )                        
     (( attr rmsd >= 3.481042 and attr rmsd <= 3.561042 )                       
     and bondedto ( attr rmsd >= 50.00797 and attr rmsd <= 51.60797 ))
      2.5 2.5 0.2                                                               
      peak 10 ppm1 3.798385 ppm2 3.521042 volume 37600000 weight 1.0            
REMARK dnoe: 3.127241 position 3.797902 4.593899                                
ASSI { 11 }                                                                     
     ( attr rmsd >= 4.533899 and attr rmsd <= 4.653899 )                        
     (( attr rmsd >= 3.757902 and attr rmsd <= 3.837902 )                       
     and bondedto ( attr rmsd >= 50.06069 and attr rmsd <= 51.66069 ))
      3.6 3.6 1.4                                                               
      peak 11 ppm1 4.593899 ppm2 3.797902 volume 8120000 weight 1.0             
REMARK dnoe: 2.859246 position 3.808572 4.271384                                
ASSI { 12 }                                                                     
     ( attr rmsd >= 4.211384 and attr rmsd <= 4.331384 )                        
     (( attr rmsd >= 3.768572 and attr rmsd <= 3.848572 )                       
     and bondedto ( attr rmsd >= 50.03072 and attr rmsd <= 51.63072 ))
      3.0 3.0 0.5999999                                                         
      peak 12 ppm1 4.271384 ppm2 3.808572 volume 13900000 weight 1.0            
REMARK dnoe: 2.327284 position 3.803835 3.516945                                
ASSI { 13 }                                                                     
     ( attr rmsd >= 3.456945 and attr rmsd <= 3.576945 )                        
     (( attr rmsd >= 3.763835 and attr rmsd <= 3.843835 )                       
     and bondedto ( attr rmsd >= 49.68598 and attr rmsd <= 51.28598 ))
      2.5 2.5 0.2                                                               
      peak 13 ppm1 3.516945 ppm2 3.803835 volume 47800000 weight 1.0            
REMARK dnoe: 1.699687 position 3.708398 3.565796                                
ASSI { 14 }                                                                     
     ( attr rmsd >= 3.505796 and attr rmsd <= 3.625796 )                        
     (( attr rmsd >= 3.668398 and attr rmsd <= 3.748398 )                       
     and bondedto ( attr rmsd >= 49.76691 and attr rmsd <= 51.36691 ))
      2.5 2.5 0.2                                                               
      peak 14 ppm1 3.565796 ppm2 3.708398 volume 315000000 weight 1.0           
REMARK dnoe: 3.023084 position 3.644219 4.591944                                
ASSI { 15 }                                                                     
     ( attr rmsd >= 4.531944 and attr rmsd <= 4.651944 )                        
     (( attr rmsd >= 3.604219 and attr rmsd <= 3.684219 )                       
     and bondedto ( attr rmsd >= 50.07097 and attr rmsd <= 51.67097 ))
      3.6 3.6 1.4                                                               
      peak 15 ppm1 4.591944 ppm2 3.644219 volume 9950000 weight 1.0             
REMARK dnoe: 2.316899 position 3.712197 4.520923                                
ASSI { 16 }                                                                     
     ( attr rmsd >= 4.460923 and attr rmsd <= 4.580923 )                        
     (( attr rmsd >= 3.672197 and attr rmsd <= 3.752197 )                       
     and bondedto ( attr rmsd >= 49.81285 and attr rmsd <= 51.41285 ))
      2.5 2.5 0.2                                                               
      peak 16 ppm1 4.520923 ppm2 3.712197 volume 49100000 weight 1.0            
REMARK dnoe: 2.397419 position 3.581025 4.531342                                
ASSI { 17 }                                                                     
     ( attr rmsd >= 4.471342 and attr rmsd <= 4.591342 )                        
     (( attr rmsd >= 3.541025 and attr rmsd <= 3.621025 )                       
     and bondedto ( attr rmsd >= 49.78310 and attr rmsd <= 51.38310 ))
      2.5 2.5 0.2                                                               
      peak 17 ppm1 4.531342 ppm2 3.581025 volume 40000000 weight 1.0            
REMARK dnoe: 3.020559 position 3.646095 4.1209                                  
ASSI { 18 }                                                                     
     ( attr rmsd >= 4.0609 and attr rmsd <= 4.1809 )                            
     (( attr rmsd >= 3.606095 and attr rmsd <= 3.686095 )                       
     and bondedto ( attr rmsd >= 50.03531 and attr rmsd <= 51.63531 ))
      3.6 3.6 1.4                                                               
      peak 18 ppm1 4.1209 ppm2 3.646095 volume 10000000 weight 1.0              
REMARK dnoe: 1.867577 position 3.644102 3.798385                                
ASSI { 19 }                                                                     
     ( attr rmsd >= 3.738385 and attr rmsd <= 3.858385 )                        
     (( attr rmsd >= 3.604102 and attr rmsd <= 3.684102 )                       
     and bondedto ( attr rmsd >= 50.03094 and attr rmsd <= 51.63094 ))
      2.5 2.5 0.2                                                               
      peak 19 ppm1 3.798385 ppm2 3.644102 volume 179000000 weight 1.0           
REMARK dnoe: 3.172449 position 3.801279 4.12481                                 
ASSI { 20 }                                                                     
     ( attr rmsd >= 4.06481 and attr rmsd <= 4.18481 )                          
     (( attr rmsd >= 3.761279 and attr rmsd <= 3.841279 )                       
     and bondedto ( attr rmsd >= 50.02131 and attr rmsd <= 51.62131 ))
      3.6 3.6 1.4                                                               
      peak 20 ppm1 4.12481 ppm2 3.801279 volume 7450000 weight 1.0              
REMARK dnoe: 2.095894 position 3.798113 3.649856                                
ASSI { 21 }                                                                     
     ( attr rmsd >= 3.589856 and attr rmsd <= 3.709856 )                        
     (( attr rmsd >= 3.758113 and attr rmsd <= 3.838113 )                       
     and bondedto ( attr rmsd >= 49.86513 and attr rmsd <= 51.46513 ))
      2.5 2.5 0.2                                                               
      peak 21 ppm1 3.649856 ppm2 3.798113 volume 89600000 weight 1.0            
REMARK dnoe: 2.951012 position 3.929028 2.05926                                 
ASSI { 22 }                                                                     
     ( attr rmsd >= 1.99926 and attr rmsd <= 2.11926 )                          
     (( attr rmsd >= 3.889028 and attr rmsd <= 3.969028 )                       
     and bondedto ( attr rmsd >= 49.99856 and attr rmsd <= 51.59856 ))
      3.0 3.0 0.5999999                                                         
      peak 22 ppm1 2.05926 ppm2 3.929028 volume 11500000 weight 1.0             
REMARK dnoe: 2.601515 position 3.929028 1.924737                                
ASSI { 23 }                                                                     
     ( attr rmsd >= 1.864737 and attr rmsd <= 1.984737 )                        
     (( attr rmsd >= 3.889028 and attr rmsd <= 3.969028 )                       
     and bondedto ( attr rmsd >= 49.99397 and attr rmsd <= 51.59397 ))
      3.0 3.0 0.5999999                                                         
      peak 23 ppm1 1.924737 ppm2 3.929028 volume 24500000 weight 1.0            
REMARK dnoe: 2.548829 position 3.79877 1.86942                                  
ASSI { 24 }                                                                     
     ( attr rmsd >= 1.80942 and attr rmsd <= 1.92942 )                          
     (( attr rmsd >= 3.75877 and attr rmsd <= 3.83877 )                         
     and bondedto ( attr rmsd >= 50.00885 and attr rmsd <= 51.60885 ))
      3.0 3.0 0.5999999                                                         
      peak 24 ppm1 1.86942 ppm2 3.79877 volume 27700002 weight 1.0              
REMARK dnoe: 2.07628 position 3.674819 1.92783                                  
ASSI { 25 }                                                                     
     ( attr rmsd >= 1.86783 and attr rmsd <= 1.98783 )                          
     (( attr rmsd >= 3.634819 and attr rmsd <= 3.714819 )                       
     and bondedto ( attr rmsd >= 49.73695 and attr rmsd <= 51.33695 ))
      2.5 2.5 0.2                                                               
      peak 25 ppm1 1.92783 ppm2 3.674819 volume 94800000 weight 1.0             
REMARK dnoe: 2.085172 position 3.599057 1.942761                                
ASSI { 26 }                                                                     
     ( attr rmsd >= 1.882761 and attr rmsd <= 2.002761 )                        
     (( attr rmsd >= 3.559057 and attr rmsd <= 3.639057 )                       
     and bondedto ( attr rmsd >= 49.76079 and attr rmsd <= 51.36079 ))
      2.5 2.5 0.2                                                               
      peak 26 ppm1 1.942761 ppm2 3.599057 volume 92400000 weight 1.0            
REMARK dnoe: 2.411697 position 3.53197 1.999603                                 
ASSI { 27 }                                                                     
     ( attr rmsd >= 1.939603 and attr rmsd <= 2.059603 )                        
     (( attr rmsd >= 3.49197 and attr rmsd <= 3.57197 )                         
     and bondedto ( attr rmsd >= 50.10750 and attr rmsd <= 51.70750 ))
      2.5 2.5 0.2                                                               
      peak 27 ppm1 1.999603 ppm2 3.53197 volume 38600000 weight 1.0             
REMARK dnoe: 2.475531 position 3.79877 1.997197                                 
ASSI { 28 }                                                                     
     ( attr rmsd >= 1.937197 and attr rmsd <= 2.057197 )                        
     (( attr rmsd >= 3.75877 and attr rmsd <= 3.83877 )                         
     and bondedto ( attr rmsd >= 50.00885 and attr rmsd <= 51.60885 ))
      2.5 2.5 0.2                                                               
      peak 28 ppm1 1.997197 ppm2 3.79877 volume 33000002 weight 1.0             
REMARK dnoe: 2.873195 position 3.693743 2.199239                                
ASSI { 29 }                                                                     
     ( attr rmsd >= 2.139239 and attr rmsd <= 2.259239 )                        
     (( attr rmsd >= 3.653743 and attr rmsd <= 3.733743 )                       
     and bondedto ( attr rmsd >= 49.93513 and attr rmsd <= 51.53513 ))
      3.0 3.0 0.5999999                                                         
      peak 29 ppm1 2.199239 ppm2 3.693743 volume 13500001 weight 1.0            
REMARK dnoe: 3.258911 position 3.65381 1.167828                                 
ASSI { 30 }                                                                     
     ( attr rmsd >= 1.107828 and attr rmsd <= 1.227828 )                        
     (( attr rmsd >= 3.61381 and attr rmsd <= 3.69381 )                         
     and bondedto ( attr rmsd >= 50.08278 and attr rmsd <= 51.68278 ))
      3.6 3.6 1.4                                                               
      peak 30 ppm1 1.167828 ppm2 3.65381 volume 6340000 weight 1.0              
REMARK dnoe: 3.412426 position 3.805077 1.16583                                 
ASSI { 31 }                                                                     
     ( attr rmsd >= 1.10583 and attr rmsd <= 1.22583 )                          
     (( attr rmsd >= 3.765077 and attr rmsd <= 3.845077 )                       
     and bondedto ( attr rmsd >= 50.11384 and attr rmsd <= 51.71384 ))
      3.6 3.6 1.4                                                               
      peak 31 ppm1 1.16583 ppm2 3.805077 volume 4810000 weight 1.0              
REMARK dnoe: 3.541418 position 3.811385 0.7695882                               
ASSI { 32 }                                                                     
     ( attr rmsd >= 0.7095882 and attr rmsd <= 0.8295882 )                      
     (( attr rmsd >= 3.771385 and attr rmsd <= 3.851385 )                       
     and bondedto ( attr rmsd >= 50.14228 and attr rmsd <= 51.74228 ))
      3.6 3.6 1.4                                                               
      peak 32 ppm1 0.7695882 ppm2 3.811385 volume 3850000 weight 1.0            
REMARK dnoe: 3.197244 position 3.527772 0.7573857                               
ASSI { 33 }                                                                     
     ( attr rmsd >= 0.6973857 and attr rmsd <= 0.8173857 )                      
     (( attr rmsd >= 3.487772 and attr rmsd <= 3.567772 )                       
     and bondedto ( attr rmsd >= 50.06550 and attr rmsd <= 51.66550 ))
      3.6 3.6 1.4                                                               
      peak 33 ppm1 0.7573857 ppm2 3.527772 volume 7110001 weight 1.0            
REMARK dnoe: 3.220299 position 3.529859 0.5892224                               
ASSI { 34 }                                                                     
     ( attr rmsd >= 0.5292224 and attr rmsd <= 0.6492224 )                      
     (( attr rmsd >= 3.489859 and attr rmsd <= 3.569859 )                       
     and bondedto ( attr rmsd >= 50.01519 and attr rmsd <= 51.61519 ))
      3.6 3.6 1.4                                                               
      peak 34 ppm1 0.5892224 ppm2 3.529859 volume 6810000 weight 1.0            
REMARK dnoe: 3.253799 position 3.809275 0.5955377                               
ASSI { 35 }                                                                     
     ( attr rmsd >= 0.5355377 and attr rmsd <= 0.6555377 )                      
     (( attr rmsd >= 3.769275 and attr rmsd <= 3.849275 )                       
     and bondedto ( attr rmsd >= 50.14228 and attr rmsd <= 51.74228 ))
      3.6 3.6 1.4                                                               
      peak 35 ppm1 0.5955377 ppm2 3.809275 volume 6400000 weight 1.0            
REMARK dnoe: 3.606762 position 3.803225 2.223084                                
ASSI { 36 }                                                                     
     ( attr rmsd >= 2.163084 and attr rmsd <= 2.283084 )                        
     (( attr rmsd >= 3.763225 and attr rmsd <= 3.843225 )                       
     and bondedto ( attr rmsd >= 50.04691 and attr rmsd <= 51.64691 ))
      4.2 4.2 1.8                                                               
      peak 36 ppm1 2.223084 ppm2 3.803225 volume 3450000 weight 1.0             
REMARK dnoe: 3.564952 position 3.926073 1.685703                                
ASSI { 37 }                                                                     
     ( attr rmsd >= 1.625703 and attr rmsd <= 1.745703 )                        
     (( attr rmsd >= 3.886073 and attr rmsd <= 3.966073 )                       
     and bondedto ( attr rmsd >= 50.12368 and attr rmsd <= 51.72368 ))
      3.6 3.6 1.4                                                               
      peak 37 ppm1 1.685703 ppm2 3.926073 volume 3700000 weight 1.0             
REMARK dnoe: 3.26408 position 3.688186 1.679087                                 
ASSI { 38 }                                                                     
     ( attr rmsd >= 1.619087 and attr rmsd <= 1.739087 )                        
     (( attr rmsd >= 3.648186 and attr rmsd <= 3.728186 )                       
     and bondedto ( attr rmsd >= 50.13550 and attr rmsd <= 51.73550 ))
      3.6 3.6 1.4                                                               
      peak 38 ppm1 1.679087 ppm2 3.688186 volume 6280000 weight 1.0             
REMARK dnoe: 3.553834 position 3.930365 2.214642                                
ASSI { 39 }                                                                     
     ( attr rmsd >= 2.154642 and attr rmsd <= 2.274642 )                        
     (( attr rmsd >= 3.890365 and attr rmsd <= 3.970365 )                       
     and bondedto ( attr rmsd >= 50.06200 and attr rmsd <= 51.66200 ))
      3.6 3.6 1.4                                                               
      peak 39 ppm1 2.214642 ppm2 3.930365 volume 3770000 weight 1.0             
REMARK dnoe: 2.959654 position 1.514883 9.413229                                
ASSI { 40 }                                                                     
     ( attr rmsd >= 9.353229 and attr rmsd <= 9.473229 )                        
     (( attr rmsd >= 1.474883 and attr rmsd <= 1.554883 )                       
     and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
      3.0 3.0 0.5999999                                                         
      peak 40 ppm1 9.413229 ppm2 1.514883 volume 11300000 weight 1.0            
REMARK dnoe: 3.516007 position 1.521097 9.090994                                
ASSI { 41 }                                                                     
     ( attr rmsd >= 9.030993 and attr rmsd <= 9.150994 )                        
     (( attr rmsd >= 1.481097 and attr rmsd <= 1.561097 )                       
     and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
      3.6 3.6 1.4                                                               
      peak 41 ppm1 9.090994 ppm2 1.521097 volume 4020000 weight 1.0             
REMARK dnoe: 2.726206 position 1.518611 8.49808                                 
ASSI { 42 }                                                                     
     ( attr rmsd >= 8.43808 and attr rmsd <= 8.558081 )                         
     (( attr rmsd >= 1.478611 and attr rmsd <= 1.558611 )                       
     and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
      3.0 3.0 0.5999999                                                         
      peak 42 ppm1 8.49808 ppm2 1.518611 volume 18500000 weight 1.0             
REMARK dnoe: 3.360874 position 1.514883 6.577558                                
ASSI { 43 }                                                                     
     ( attr rmsd >= 6.517558 and attr rmsd <= 6.637558 )                        
     (( attr rmsd >= 1.474883 and attr rmsd <= 1.554883 )                       
     and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
      3.6 3.6 1.4                                                               
      peak 43 ppm1 6.577558 ppm2 1.514883 volume 5270000 weight 1.0             
REMARK dnoe: 2.596243 position 1.511061 6.805636                                
ASSI { 45 }                                                                     
     ( attr rmsd >= 6.745636 and attr rmsd <= 6.865636 )                        
     (( attr rmsd >= 1.471061 and attr rmsd <= 1.551061 )                       
     and bondedto ( attr rmsd >= 21.90138 and attr rmsd <= 23.50138 ))
      3.0 3.0 0.5999999                                                         
      peak 45 ppm1 6.805636 ppm2 1.511061 volume 24800000 weight 1.0            
REMARK dnoe: 3.118973 position 0.7149749 6.875453                               
ASSI { 46 }                                                                     
     ( attr rmsd >= 6.815453 and attr rmsd <= 6.935453 )                        
     (( attr rmsd >= 0.6749749 and attr rmsd <= 0.7549749 )                     
     and bondedto ( attr rmsd >= 22.06631 and attr rmsd <= 23.66631 ))
      3.6 3.6 1.4                                                               
      peak 46 ppm1 6.875453 ppm2 0.7149749 volume 8250000 weight 1.0            
REMARK dnoe: 2.855832 position 0.7148812 7.140396                               
ASSI { 47 }                                                                     
     ( attr rmsd >= 7.080396 and attr rmsd <= 7.200396 )                        
     (( attr rmsd >= 0.6748812 and attr rmsd <= 0.7548812 )                     
     and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
      3.0 3.0 0.5999999                                                         
      peak 47 ppm1 7.140396 ppm2 0.7148812 volume 14000000 weight 1.0           
REMARK dnoe: 3.736686 position 0.7174137 6.577558                               
ASSI { 48 }                                                                     
     ( attr rmsd >= 6.517558 and attr rmsd <= 6.637558 )                        
     (( attr rmsd >= 0.6774137 and attr rmsd <= 0.7574137 )                     
     and bondedto ( attr rmsd >= 22.19865 and attr rmsd <= 23.79865 ))
      4.2 4.2 1.8                                                               
      peak 48 ppm1 6.577558 ppm2 0.7174137 volume 0.279e+07 weight 1.0          
REMARK dnoe: 3.383729 position 0.7149749 8.102676                               
ASSI { 49 }                                                                     
     ( attr rmsd >= 8.042676 and attr rmsd <= 8.162677 )                        
     (( attr rmsd >= 0.6749749 and attr rmsd <= 0.7549749 )                     
     and bondedto ( attr rmsd >= 22.04882 and attr rmsd <= 23.64882 ))
      3.6 3.6 1.4                                                               
      peak 49 ppm1 8.102676 ppm2 0.7149749 volume 5060000 weight 1.0            
REMARK dnoe: 2.784343 position 1.511061 7.029053                                
ASSI { 50 }                                                                     
     ( attr rmsd >= 6.969053 and attr rmsd <= 7.089053 )                        
     (( attr rmsd >= 1.471061 and attr rmsd <= 1.551061 )                       
     and bondedto ( attr rmsd >= 22.00026 and attr rmsd <= 23.60026 ))
      3.0 3.0 0.5999999                                                         
      peak 50 ppm1 7.029053 ppm2 1.511061 volume 16300000 weight 1.0            
REMARK dnoe: 3.221087 position 1.509701 7.318699                                
ASSI { 51 }                                                                     
     ( attr rmsd >= 7.258699 and attr rmsd <= 7.378699 )                        
     (( attr rmsd >= 1.469701 and attr rmsd <= 1.549701 )                       
     and bondedto ( attr rmsd >= 22.02235 and attr rmsd <= 23.62235 ))
      3.6 3.6 1.4                                                               
      peak 51 ppm1 7.318699 ppm2 1.509701 volume 6800000 weight 1.0             
REMARK dnoe: 3.920995 position 1.145166 9.456194                                
ASSI { 52 }                                                                     
     ( attr rmsd >= 9.396194 and attr rmsd <= 9.516194 )                        
     (( attr rmsd >= 1.105166 and attr rmsd <= 1.185166 )                       
     and bondedto ( attr rmsd >= 22.28680 and attr rmsd <= 23.88680 ))
      4.2 4.2 1.8                                                               
      peak 52 ppm1 9.456194 ppm2 1.145166 volume 0.209e+07 weight 1.0           
REMARK dnoe: 3.656084 position 1.14465 8.635568                                 
ASSI { 53 }                                                                     
     ( attr rmsd >= 8.575567 and attr rmsd <= 8.695568 )                        
     (( attr rmsd >= 1.10465 and attr rmsd <= 1.18465 )                         
     and bondedto ( attr rmsd >= 22.30890 and attr rmsd <= 23.90890 ))
      4.2 4.2 1.8                                                               
      peak 53 ppm1 8.635568 ppm2 1.14465 volume 3180000 weight 1.0              
REMARK dnoe: 3.5131 position 1.14465 6.895496                                   
ASSI { 54 }                                                                     
     ( attr rmsd >= 6.835496 and attr rmsd <= 6.955496 )                        
     (( attr rmsd >= 1.10465 and attr rmsd <= 1.18465 )                         
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      3.6 3.6 1.4                                                               
      peak 54 ppm1 6.895496 ppm2 1.14465 volume 0.404e+07 weight 1.0            
REMARK dnoe: 4.418966 position 1.14465 6.586151                                 
ASSI { 55 }                                                                     
     ( attr rmsd >= 6.526151 and attr rmsd <= 6.646151 )                        
     (( attr rmsd >= 1.10465 and attr rmsd <= 1.18465 )                         
     and bondedto ( attr rmsd >= 22.33099 and attr rmsd <= 23.93099 ))
      4.2 4.2 1.8                                                               
      peak 55 ppm1 6.586151 ppm2 1.14465 volume 1020000 weight 1.0              
REMARK dnoe: 3.620893 position 1.150372 6.760158                                
ASSI { 56 }                                                                     
     ( attr rmsd >= 6.700158 and attr rmsd <= 6.820158 )                        
     (( attr rmsd >= 1.110372 and attr rmsd <= 1.190372 )                       
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      4.2 4.2 1.8                                                               
      peak 56 ppm1 6.760158 ppm2 1.150372 volume 3370000 weight 1.0             
REMARK dnoe: 3.310483 position 1.509795 7.179064                                
ASSI { 57 }                                                                     
     ( attr rmsd >= 7.119064 and attr rmsd <= 7.239064 )                        
     (( attr rmsd >= 1.469795 and attr rmsd <= 1.549795 )                       
     and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
      3.6 3.6 1.4                                                               
      peak 57 ppm1 7.179064 ppm2 1.509795 volume 5770000 weight 1.0             
REMARK dnoe: 2.363231 position 1.510803 4.788636                                
ASSI { 58 }                                                                     
     ( attr rmsd >= 4.728636 and attr rmsd <= 4.848636 )                        
     (( attr rmsd >= 1.470803 and attr rmsd <= 1.550803 )                       
     and bondedto ( attr rmsd >= 21.89941 and attr rmsd <= 23.49941 ))
      2.5 2.5 0.2                                                               
      peak 58 ppm1 4.788636 ppm2 1.510803 volume 43600000 weight 1.0            
REMARK dnoe: 2.498781 position 0.7176721 3.832113                               
ASSI { 59 }                                                                     
     ( attr rmsd >= 3.772113 and attr rmsd <= 3.892113 )                        
     (( attr rmsd >= 0.6776721 and attr rmsd <= 0.7576721 )                     
     and bondedto ( attr rmsd >= 22.19865 and attr rmsd <= 23.79865 ))
      2.5 2.5 0.2                                                               
      peak 59 ppm1 3.832113 ppm2 0.7176721 volume 31200000 weight 1.0           
REMARK dnoe: 3.080376 position 0.7143888 4.719334                               
ASSI { 60 }                                                                     
     ( attr rmsd >= 4.659334 and attr rmsd <= 4.779334 )                        
     (( attr rmsd >= 0.6743888 and attr rmsd <= 0.7543888 )                     
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      3.6 3.6 1.4                                                               
      peak 60 ppm1 4.719334 ppm2 0.7143888 volume 8890000 weight 1.0            
REMARK dnoe: 2.955311 position 1.143947 4.712889                                
ASSI { 62 }                                                                     
     ( attr rmsd >= 4.652889 and attr rmsd <= 4.772889 )                        
     (( attr rmsd >= 1.103947 and attr rmsd <= 1.183947 )                       
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      3.0 3.0 0.5999999                                                         
      peak 62 ppm1 4.712889 ppm2 1.143947 volume 11400000 weight 1.0            
REMARK dnoe: 2.781506 position 1.142564 4.498066                                
ASSI { 63 }                                                                     
     ( attr rmsd >= 4.438066 and attr rmsd <= 4.558066 )                        
     (( attr rmsd >= 1.102564 and attr rmsd <= 1.182564 )                       
     and bondedto ( attr rmsd >= 22.26471 and attr rmsd <= 23.86471 ))
      3.0 3.0 0.5999999                                                         
      peak 63 ppm1 4.498066 ppm2 1.142564 volume 16400000 weight 1.0            
REMARK dnoe: 2.770357 position 1.145166 4.311169                                
ASSI { 64 }                                                                     
     ( attr rmsd >= 4.251169 and attr rmsd <= 4.371169 )                        
     (( attr rmsd >= 1.105166 and attr rmsd <= 1.185166 )                       
     and bondedto ( attr rmsd >= 22.24284 and attr rmsd <= 23.84284 ))
      3.0 3.0 0.5999999                                                         
      peak 64 ppm1 4.311169 ppm2 1.145166 volume 16800000 weight 1.0            
REMARK dnoe: 3.373801 position 1.511624 5.624557                                
ASSI { 65 }                                                                     
     ( attr rmsd >= 5.564557 and attr rmsd <= 5.684557 )                        
     (( attr rmsd >= 1.471624 and attr rmsd <= 1.551624 )                       
     and bondedto ( attr rmsd >= 22.00835 and attr rmsd <= 23.60835 ))
      3.6 3.6 1.4                                                               
      peak 65 ppm1 5.624557 ppm2 1.511624 volume 5150000 weight 1.0             
REMARK dnoe: 4.00878 position 1.514086 4.290718                                 
ASSI { 66 }                                                                     
     ( attr rmsd >= 4.230718 and attr rmsd <= 4.350718 )                        
     (( attr rmsd >= 1.474086 and attr rmsd <= 1.554086 )                       
     and bondedto ( attr rmsd >= 21.95694 and attr rmsd <= 23.55694 ))
      4.2 4.2 1.8                                                               
      peak 66 ppm1 4.290718 ppm2 1.514086 volume 1830000 weight 1.0             
REMARK dnoe: 3.78574 position 1.510803 3.955744                                 
ASSI { 67 }                                                                     
     ( attr rmsd >= 3.895744 and attr rmsd <= 4.015744 )                        
     (( attr rmsd >= 1.470803 and attr rmsd <= 1.550803 )                       
     and bondedto ( attr rmsd >= 21.87994 and attr rmsd <= 23.47994 ))
      4.2 4.2 1.8                                                               
      peak 67 ppm1 3.955744 ppm2 1.510803 volume 0.258e+07 weight 1.0           
REMARK dnoe: 3.606762 position 0.7209315 2.987856                               
ASSI { 68 }                                                                     
     ( attr rmsd >= 2.927856 and attr rmsd <= 3.047856 )                        
     (( attr rmsd >= 0.6809314 and attr rmsd <= 0.7609315 )                     
     and bondedto ( attr rmsd >= 22.26471 and attr rmsd <= 23.86471 ))
      4.2 4.2 1.8                                                               
      peak 68 ppm1 2.987856 ppm2 0.7209315 volume 3450000 weight 1.0            
REMARK dnoe: 3.933644 position 1.15811 4.97927                                  
ASSI { 69 }                                                                     
     ( attr rmsd >= 4.91927 and attr rmsd <= 5.03927 )                          
     (( attr rmsd >= 1.11811 and attr rmsd <= 1.19811 )                         
     and bondedto ( attr rmsd >= 22.35309 and attr rmsd <= 23.95309 ))
      4.2 4.2 1.8                                                               
      peak 69 ppm1 4.97927 ppm2 1.15811 volume 2050000 weight 1.0               
REMARK dnoe: 3.693818 position 1.144346 3.927043                                
ASSI { 70 }                                                                     
     ( attr rmsd >= 3.867043 and attr rmsd <= 3.987043 )                        
     (( attr rmsd >= 1.104346 and attr rmsd <= 1.184346 )                       
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      4.2 4.2 1.8                                                               
      peak 70 ppm1 3.927043 ppm2 1.144346 volume 2990000 weight 1.0             
REMARK dnoe: 3.652266 position 1.151685 2.190861                                
ASSI { 72 }                                                                     
     ( attr rmsd >= 2.130861 and attr rmsd <= 2.250861 )                        
     (( attr rmsd >= 1.111685 and attr rmsd <= 1.191685 )                       
     and bondedto ( attr rmsd >= 22.35309 and attr rmsd <= 23.95309 ))
      4.2 4.2 1.8                                                               
      peak 72 ppm1 2.190861 ppm2 1.151685 volume 3200000 weight 1.0             
REMARK dnoe: 3.708431 position 1.154194 1.93522                                 
ASSI { 73 }                                                                     
     ( attr rmsd >= 1.87522 and attr rmsd <= 1.99522 )                          
     (( attr rmsd >= 1.114194 and attr rmsd <= 1.194194 )                       
     and bondedto ( attr rmsd >= 22.26471 and attr rmsd <= 23.86471 ))
      4.2 4.2 1.8                                                               
      peak 73 ppm1 1.93522 ppm2 1.154194 volume 2920000 weight 1.0              
REMARK dnoe: 3.523349 position 1.140242 1.767658                                
ASSI { 74 }                                                                     
     ( attr rmsd >= 1.707658 and attr rmsd <= 1.827658 )                        
     (( attr rmsd >= 1.100242 and attr rmsd <= 1.180242 )                       
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      3.6 3.6 1.4                                                               
      peak 74 ppm1 1.767658 ppm2 1.140242 volume 0.397e+07 weight 1.0           
REMARK dnoe: 3.251264 position 1.148613 1.58291                                 
ASSI { 75 }                                                                     
     ( attr rmsd >= 1.52291 and attr rmsd <= 1.64291 )                          
     (( attr rmsd >= 1.108613 and attr rmsd <= 1.188613 )                       
     and bondedto ( attr rmsd >= 22.33099 and attr rmsd <= 23.93099 ))
      3.6 3.6 1.4                                                               
      peak 75 ppm1 1.58291 ppm2 1.148613 volume 6430000 weight 1.0              
REMARK dnoe: 3.21794 position 1.145823 1.385273                                 
ASSI { 76 }                                                                     
     ( attr rmsd >= 1.325273 and attr rmsd <= 1.445273 )                        
     (( attr rmsd >= 1.105823 and attr rmsd <= 1.185823 )                       
     and bondedto ( attr rmsd >= 22.30890 and attr rmsd <= 23.90890 ))
      3.6 3.6 1.4                                                               
      peak 76 ppm1 1.385273 ppm2 1.145823 volume 6840000 weight 1.0             
REMARK dnoe: 3.496003 position 1.143173 0.4035287                               
ASSI { 78 }                                                                     
     ( attr rmsd >= 0.3435287 and attr rmsd <= 0.4635287 )                      
     (( attr rmsd >= 1.103173 and attr rmsd <= 1.183173 )                       
     and bondedto ( attr rmsd >= 22.33099 and attr rmsd <= 23.93099 ))
      3.6 3.6 1.4                                                               
      peak 78 ppm1 0.4035287 ppm2 1.143173 volume 4160000 weight 1.0            
REMARK dnoe: 3.58293 position 1.140242 -0.1700506                               
ASSI { 79 }                                                                     
     ( attr rmsd >= -0.2300506 and attr rmsd <= -0.1100506 )                    
     (( attr rmsd >= 1.100242 and attr rmsd <= 1.180242 )                       
     and bondedto ( attr rmsd >= 22.30890 and attr rmsd <= 23.90890 ))
      3.6 3.6 1.4                                                               
      peak 79 ppm1 -0.1700506 ppm2 1.140242 volume 3590000 weight 1.0           
REMARK dnoe: 3.173159 position 1.509115 -0.0411563                              
ASSI { 80 }                                                                     
     ( attr rmsd >= -0.1011563 and attr rmsd <= 0.0188437 )                     
     (( attr rmsd >= 1.469115 and attr rmsd <= 1.549115 )                       
     and bondedto ( attr rmsd >= 22.00026 and attr rmsd <= 23.60026 ))
      3.6 3.6 1.4                                                               
      peak 80 ppm1 -0.0411563 ppm2 1.509115 volume 7440000 weight 1.0           
REMARK dnoe: 2.968476 position 1.509138 0.2638931                               
ASSI { 81 }                                                                     
     ( attr rmsd >= 0.2038931 and attr rmsd <= 0.3238931 )                      
     (( attr rmsd >= 1.469138 and attr rmsd <= 1.549138 )                       
     and bondedto ( attr rmsd >= 22.11050 and attr rmsd <= 23.71050 ))
      3.0 3.0 0.5999999                                                         
      peak 81 ppm1 0.2638931 ppm2 1.509138 volume 11100000 weight 1.0           
REMARK dnoe: 2.930154 position 1.508833 0.5517569                               
ASSI { 82 }                                                                     
     ( attr rmsd >= 0.4917569 and attr rmsd <= 0.6117569 )                      
     (( attr rmsd >= 1.468833 and attr rmsd <= 1.548833 )                       
     and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
      3.0 3.0 0.5999999                                                         
      peak 82 ppm1 0.5517569 ppm2 1.508833 volume 12000000 weight 1.0           
REMARK dnoe: 2.804787 position 1.510006 1.082371                                
ASSI { 83 }                                                                     
     ( attr rmsd >= 1.022371 and attr rmsd <= 1.142371 )                        
     (( attr rmsd >= 1.470006 and attr rmsd <= 1.550006 )                       
     and bondedto ( attr rmsd >= 21.95607 and attr rmsd <= 23.55607 ))
      3.0 3.0 0.5999999                                                         
      peak 83 ppm1 1.082371 ppm2 1.510006 volume 15600000 weight 1.0            
REMARK dnoe: 3.025623 position 1.511085 0.9685144                               
ASSI { 84 }                                                                     
     ( attr rmsd >= 0.9085144 and attr rmsd <= 1.028514 )                       
     (( attr rmsd >= 1.471085 and attr rmsd <= 1.551085 )                       
     and bondedto ( attr rmsd >= 22.06631 and attr rmsd <= 23.66631 ))
      3.6 3.6 1.4                                                               
      peak 84 ppm1 0.9685144 ppm2 1.511085 volume 9900000 weight 1.0            
REMARK dnoe: 2.59277 position 1.509842 1.782696                                 
ASSI { 85 }                                                                     
     ( attr rmsd >= 1.722696 and attr rmsd <= 1.842696 )                        
     (( attr rmsd >= 1.469842 and attr rmsd <= 1.549842 )                       
     and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
      3.0 3.0 0.5999999                                                         
      peak 85 ppm1 1.782696 ppm2 1.509842 volume 25000000 weight 1.0            
REMARK dnoe: 2.30683 position 0.7142951 0.1049242                               
ASSI { 87 }                                                                     
     ( attr rmsd >= 0.0449242 and attr rmsd <= 0.1649242 )                      
     (( attr rmsd >= 0.6742951 and attr rmsd <= 0.7542951 )                     
     and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
      2.5 2.5 0.2                                                               
      peak 87 ppm1 0.1049242 ppm2 0.7142951 volume 50400000 weight 1.0          
REMARK dnoe: 2.991367 position 0.7116926 1.050148                               
ASSI { 88 }                                                                     
     ( attr rmsd >= 0.990148 and attr rmsd <= 1.110148 )                        
     (( attr rmsd >= 0.6716926 and attr rmsd <= 0.7516926 )                     
     and bondedto ( attr rmsd >= 22.13260 and attr rmsd <= 23.73260 ))
      3.0 3.0 0.5999999                                                         
      peak 88 ppm1 1.050148 ppm2 0.7116926 volume 10600000 weight 1.0           
REMARK dnoe: 2.820057 position 0.7139902 1.438978                               
ASSI { 89 }                                                                     
     ( attr rmsd >= 1.378978 and attr rmsd <= 1.498978 )                        
     (( attr rmsd >= 0.6739902 and attr rmsd <= 0.7539902 )                     
     and bondedto ( attr rmsd >= 22.15446 and attr rmsd <= 23.75446 ))
      3.0 3.0 0.5999999                                                         
      peak 89 ppm1 1.438978 ppm2 0.7139902 volume 15099999 weight 1.0           
REMARK dnoe: 2.386604 position 0.7145298 1.69247                                
ASSI { 91 }                                                                     
     ( attr rmsd >= 1.63247 and attr rmsd <= 1.75247 )                          
     (( attr rmsd >= 0.6745298 and attr rmsd <= 0.7545298 )                     
     and bondedto ( attr rmsd >= 22.13260 and attr rmsd <= 23.73260 ))
      2.5 2.5 0.2                                                               
      peak 91 ppm1 1.69247 ppm2 0.7145298 volume 41100000 weight 1.0            
REMARK dnoe: 2.281161 position 0.7149284 1.849291                               
ASSI { 92 }                                                                     
     ( attr rmsd >= 1.789291 and attr rmsd <= 1.909291 )                        
     (( attr rmsd >= 0.6749284 and attr rmsd <= 0.7549284 )                     
     and bondedto ( attr rmsd >= 22.22075 and attr rmsd <= 23.82075 ))
      2.5 2.5 0.2                                                               
      peak 92 ppm1 1.849291 ppm2 0.7149284 volume 53899996 weight 1.0           
REMARK dnoe: 3.178882 position 1.518729 0.1650743                               
ASSI { 93 }                                                                     
     ( attr rmsd >= 0.1050743 and attr rmsd <= 0.2250743 )                      
     (( attr rmsd >= 1.478729 and attr rmsd <= 1.558729 )                       
     and bondedto ( attr rmsd >= 22.04444 and attr rmsd <= 23.64444 ))
      3.6 3.6 1.4                                                               
      peak 93 ppm1 0.1650743 ppm2 1.518729 volume 7360000 weight 1.0            
REMARK dnoe: 2.736156 position 3.969453 4.978755                                
ASSI { 94 }                                                                     
     ( attr rmsd >= 4.918755 and attr rmsd <= 5.038755 )                        
     (( attr rmsd >= 3.929453 and attr rmsd <= 4.009453 )                       
     and bondedto ( attr rmsd >= 49.77172 and attr rmsd <= 51.37172 ))
      3.0 3.0 0.5999999                                                         
      peak 94 ppm1 4.978755 ppm2 3.969453 volume 18100000 weight 1.0            
REMARK dnoe: 2.938374 position 3.431773 4.978776                                
ASSI { 95 }                                                                     
     ( attr rmsd >= 4.918776 and attr rmsd <= 5.038776 )                        
     (( attr rmsd >= 3.391773 and attr rmsd <= 3.471773 )                       
     and bondedto ( attr rmsd >= 49.76757 and attr rmsd <= 51.36757 ))
      3.0 3.0 0.5999999                                                         
      peak 95 ppm1 4.978776 ppm2 3.431773 volume 11800000 weight 1.0            
REMARK dnoe: 3.483554 position 3.983077 6.902307                                
ASSI { 96 }                                                                     
     ( attr rmsd >= 6.842307 and attr rmsd <= 6.962307 )                        
     (( attr rmsd >= 3.943077 and attr rmsd <= 4.023077 )                       
     and bondedto ( attr rmsd >= 49.63370 and attr rmsd <= 51.23370 ))
      3.6 3.6 1.4                                                               
      peak 96 ppm1 6.902307 ppm2 3.983077 volume 4250000 weight 1.0             
REMARK dnoe: 3.917877 position 3.436604 6.89163                                 
ASSI { 97 }                                                                     
     ( attr rmsd >= 6.83163 and attr rmsd <= 6.95163 )                          
     (( attr rmsd >= 3.396604 and attr rmsd <= 3.476604 )                       
     and bondedto ( attr rmsd >= 49.71945 and attr rmsd <= 51.31945 ))
      4.2 4.2 1.8                                                               
      peak 97 ppm1 6.89163 ppm2 3.436604 volume 2100000 weight 1.0              
REMARK dnoe: 3.560158 position 3.977613 6.588514                                
ASSI { 98 }                                                                     
     ( attr rmsd >= 6.528514 and attr rmsd <= 6.648514 )                        
     (( attr rmsd >= 3.937613 and attr rmsd <= 4.017613 )                       
     and bondedto ( attr rmsd >= 49.76079 and attr rmsd <= 51.36079 ))
      3.6 3.6 1.4                                                               
      peak 98 ppm1 6.588514 ppm2 3.977613 volume 3730000 weight 1.0             
REMARK dnoe: 3.569793 position 3.432031 6.591887                                
ASSI { 99 }                                                                     
     ( attr rmsd >= 6.531887 and attr rmsd <= 6.651887 )                        
     (( attr rmsd >= 3.392031 and attr rmsd <= 3.472031 )                       
     and bondedto ( attr rmsd >= 49.59914 and attr rmsd <= 51.19914 ))
      3.6 3.6 1.4                                                               
      peak 99 ppm1 6.591887 ppm2 3.432031 volume 0.367e+07 weight 1.0           
REMARK dnoe: 2.570956 position 3.968563 3.431445                                
ASSI { 100 }                                                                    
     ( attr rmsd >= 3.371445 and attr rmsd <= 3.491445 )                        
     (( attr rmsd >= 3.928563 and attr rmsd <= 4.008563 )                       
     and bondedto ( attr rmsd >= 49.76210 and attr rmsd <= 51.36210 ))
      3.0 3.0 0.5999999                                                         
      peak 100 ppm1 3.431445 ppm2 3.968563 volume 26300002 weight 1.0           
REMARK dnoe: 2.387573 position 3.431867 3.968654                                
ASSI { 101 }                                                                    
     ( attr rmsd >= 3.908654 and attr rmsd <= 4.028654 )                        
     (( attr rmsd >= 3.391867 and attr rmsd <= 3.471867 )                       
     and bondedto ( attr rmsd >= 49.76757 and attr rmsd <= 51.36757 ))
      2.5 2.5 0.2                                                               
      peak 101 ppm1 3.968654 ppm2 3.431867 volume 41000000 weight 1.0           
REMARK dnoe: 2.784343 position 3.969852 2.137155                                
ASSI { 102 }                                                                    
     ( attr rmsd >= 2.077155 and attr rmsd <= 2.197155 )                        
     (( attr rmsd >= 3.929852 and attr rmsd <= 4.009852 )                       
     and bondedto ( attr rmsd >= 49.80279 and attr rmsd <= 51.40279 ))
      3.0 3.0 0.5999999                                                         
      peak 102 ppm1 2.137155 ppm2 3.969852 volume 16300000 weight 1.0           
REMARK dnoe: 2.579194 position 3.955408 1.853588                                
ASSI { 104 }                                                                    
     ( attr rmsd >= 1.793588 and attr rmsd <= 1.913588 )                        
     (( attr rmsd >= 3.915408 and attr rmsd <= 3.995408 )                       
     and bondedto ( attr rmsd >= 49.80279 and attr rmsd <= 51.40279 ))
      3.0 3.0 0.5999999                                                         
      peak 104 ppm1 1.853588 ppm2 3.955408 volume 25799998 weight 1.0           
REMARK dnoe: 2.72867 position 3.974659 1.533501                                 
ASSI { 105 }                                                                    
     ( attr rmsd >= 1.473501 and attr rmsd <= 1.593501 )                        
     (( attr rmsd >= 3.934659 and attr rmsd <= 4.014659 )                       
     and bondedto ( attr rmsd >= 49.75860 and attr rmsd <= 51.35860 ))
      3.0 3.0 0.5999999                                                         
      peak 105 ppm1 1.533501 ppm2 3.974659 volume 18400000 weight 1.0           
REMARK dnoe: 2.792977 position 3.972244 1.224155                                
ASSI { 106 }                                                                    
     ( attr rmsd >= 1.164155 and attr rmsd <= 1.284155 )                        
     (( attr rmsd >= 3.932244 and attr rmsd <= 4.012244 )                       
     and bondedto ( attr rmsd >= 49.82488 and attr rmsd <= 51.42488 ))
      3.0 3.0 0.5999999                                                         
      peak 106 ppm1 1.224155 ppm2 3.972244 volume 16000000 weight 1.0           
REMARK dnoe: 3.214815 position 3.969852 0.7503185                               
ASSI { 107 }                                                                    
     ( attr rmsd >= 0.6903185 and attr rmsd <= 0.8103185 )                      
     (( attr rmsd >= 3.929852 and attr rmsd <= 4.009852 )                       
     and bondedto ( attr rmsd >= 49.78354 and attr rmsd <= 51.38354 ))
      3.6 3.6 1.4                                                               
      peak 107 ppm1 0.7503185 ppm2 3.969852 volume 6880000 weight 1.0           
REMARK dnoe: 2.906424 position 3.437753 0.7503185                               
ASSI { 108 }                                                                    
     ( attr rmsd >= 0.6903185 and attr rmsd <= 0.8103185 )                      
     (( attr rmsd >= 3.397753 and attr rmsd <= 3.477753 )                       
     and bondedto ( attr rmsd >= 49.70589 and attr rmsd <= 51.30589 ))
      3.0 3.0 0.5999999                                                         
      peak 108 ppm1 0.7503185 ppm2 3.437753 volume 12600000 weight 1.0          
REMARK dnoe: 2.700088 position 3.432922 1.226303                                
ASSI { 109 }                                                                    
     ( attr rmsd >= 1.166303 and attr rmsd <= 1.286303 )                        
     (( attr rmsd >= 3.392922 and attr rmsd <= 3.472922 )                       
     and bondedto ( attr rmsd >= 49.75860 and attr rmsd <= 51.35860 ))
      3.0 3.0 0.5999999                                                         
      peak 109 ppm1 1.226303 ppm2 3.432922 volume 19600000 weight 1.0           
REMARK dnoe: 2.829504 position 3.435337 1.546025                                
ASSI { 110 }                                                                    
     ( attr rmsd >= 1.486025 and attr rmsd <= 1.606025 )                        
     (( attr rmsd >= 3.395337 and attr rmsd <= 3.475337 )                       
     and bondedto ( attr rmsd >= 49.75160 and attr rmsd <= 51.35160 ))
      3.0 3.0 0.5999999                                                         
      peak 110 ppm1 1.546025 ppm2 3.435337 volume 14800000 weight 1.0           
REMARK dnoe: 3.062274 position 3.432922 1.396014                                
ASSI { 111 }                                                                    
     ( attr rmsd >= 1.336014 and attr rmsd <= 1.456014 )                        
     (( attr rmsd >= 3.392922 and attr rmsd <= 3.472922 )                       
     and bondedto ( attr rmsd >= 49.78070 and attr rmsd <= 51.38070 ))
      3.6 3.6 1.4                                                               
      peak 111 ppm1 1.396014 ppm2 3.432922 volume 9210000 weight 1.0            
REMARK dnoe: 2.427681 position 3.432922 1.847143                                
ASSI { 112 }                                                                    
     ( attr rmsd >= 1.787143 and attr rmsd <= 1.907143 )                        
     (( attr rmsd >= 3.392922 and attr rmsd <= 3.472922 )                       
     and bondedto ( attr rmsd >= 49.69254 and attr rmsd <= 51.29254 ))
      2.5 2.5 0.2                                                               
      peak 112 ppm1 1.847143 ppm2 3.432922 volume 37100000 weight 1.0           
REMARK dnoe: 2.880351 position 3.435337 2.126714                                
ASSI { 113 }                                                                    
     ( attr rmsd >= 2.066714 and attr rmsd <= 2.186714 )                        
     (( attr rmsd >= 3.395337 and attr rmsd <= 3.475337 )                       
     and bondedto ( attr rmsd >= 49.69998 and attr rmsd <= 51.29998 ))
      3.0 3.0 0.5999999                                                         
      peak 113 ppm1 2.126714 ppm2 3.435337 volume 13300000 weight 1.0           
REMARK dnoe: 3.940077 position 3.952992 0.2560525                               
ASSI { 114 }                                                                    
     ( attr rmsd >= 0.1960525 and attr rmsd <= 0.3160525 )                      
     (( attr rmsd >= 3.912992 and attr rmsd <= 3.992992 )                       
     and bondedto ( attr rmsd >= 49.74132 and attr rmsd <= 51.34132 ))
      4.2 4.2 1.8                                                               
      peak 114 ppm1 0.2560525 ppm2 3.952992 volume 2030000 weight 1.0           
REMARK dnoe: 3.803135 position 3.437753 0.2760091                               
ASSI { 115 }                                                                    
     ( attr rmsd >= 0.2160091 and attr rmsd <= 0.3360091 )                      
     (( attr rmsd >= 3.397753 and attr rmsd <= 3.477753 )                       
     and bondedto ( attr rmsd >= 49.74635 and attr rmsd <= 51.34635 ))
      4.2 4.2 1.8                                                               
      peak 115 ppm1 0.2760091 ppm2 3.437753 volume 0.251e+07 weight 1.0         
REMARK dnoe: 2.839178 position 3.709383 1.260674                                
ASSI { 116 }                                                                    
     ( attr rmsd >= 1.200674 and attr rmsd <= 1.320674 )                        
     (( attr rmsd >= 3.669383 and attr rmsd <= 3.749383 )                       
     and bondedto ( attr rmsd >= 49.71463 and attr rmsd <= 51.31463 ))
      3.0 3.0 0.5999999                                                         
      peak 116 ppm1 1.260674 ppm2 3.709383 volume 14500000 weight 1.0           
REMARK dnoe: 2.784343 position 3.550166 1.264971                                
ASSI { 117 }                                                                    
     ( attr rmsd >= 1.204971 and attr rmsd <= 1.324971 )                        
     (( attr rmsd >= 3.510166 and attr rmsd <= 3.590166 )                       
     and bondedto ( attr rmsd >= 49.73651 and attr rmsd <= 51.33651 ))
      3.0 3.0 0.5999999                                                         
      peak 117 ppm1 1.264971 ppm2 3.550166 volume 16300000 weight 1.0           
REMARK dnoe: 2.577532 position 3.714636 1.784844                                
ASSI { 118 }                                                                    
     ( attr rmsd >= 1.724844 and attr rmsd <= 1.844844 )                        
     (( attr rmsd >= 3.674636 and attr rmsd <= 3.754636 )                       
     and bondedto ( attr rmsd >= 49.80279 and attr rmsd <= 51.40279 ))
      3.0 3.0 0.5999999                                                         
      peak 118 ppm1 1.784844 ppm2 3.714636 volume 25900000 weight 1.0           
REMARK dnoe: 2.47804 position 3.558138 1.784844                                 
ASSI { 119 }                                                                    
     ( attr rmsd >= 1.724844 and attr rmsd <= 1.844844 )                        
     (( attr rmsd >= 3.518138 and attr rmsd <= 3.598138 )                       
     and bondedto ( attr rmsd >= 49.73651 and attr rmsd <= 51.33651 ))
      2.5 2.5 0.2                                                               
      peak 119 ppm1 1.784844 ppm2 3.558138 volume 32800000 weight 1.0           
REMARK dnoe: 3.252952 position 3.558138 2.18012                                 
ASSI { 120 }                                                                    
     ( attr rmsd >= 2.12012 and attr rmsd <= 2.24012 )                          
     (( attr rmsd >= 3.518138 and attr rmsd <= 3.598138 )                       
     and bondedto ( attr rmsd >= 49.64836 and attr rmsd <= 51.24836 ))
      3.6 3.6 1.4                                                               
      peak 120 ppm1 2.18012 ppm2 3.558138 volume 0.641e+07 weight 1.0           
REMARK dnoe: 2.336332 position 3.553941 1.924544                                
ASSI { 121 }                                                                    
     ( attr rmsd >= 1.864544 and attr rmsd <= 1.984544 )                        
     (( attr rmsd >= 3.513941 and attr rmsd <= 3.593941 )                       
     and bondedto ( attr rmsd >= 49.56020 and attr rmsd <= 51.16020 ))
      2.5 2.5 0.2                                                               
      peak 121 ppm1 1.924544 ppm2 3.553941 volume 46700000 weight 1.0           
REMARK dnoe: 2.189698 position 3.71222 1.933073                                 
ASSI { 122 }                                                                    
     ( attr rmsd >= 1.873073 and attr rmsd <= 1.993073 )                        
     (( attr rmsd >= 3.67222 and attr rmsd <= 3.75222 )                         
     and bondedto ( attr rmsd >= 49.84676 and attr rmsd <= 51.44676 ))
      2.5 2.5 0.2                                                               
      peak 122 ppm1 1.933073 ppm2 3.71222 volume 68900000 weight 1.0            
REMARK dnoe: 1.627297 position 3.57141 3.710243                                 
ASSI { 123 }                                                                    
     ( attr rmsd >= 3.650243 and attr rmsd <= 3.770243 )                        
     (( attr rmsd >= 3.53141 and attr rmsd <= 3.61141 )                         
     and bondedto ( attr rmsd >= 49.78310 and attr rmsd <= 51.38310 ))
      2.5 2.5 0.2                                                               
      peak 123 ppm1 3.710243 ppm2 3.57141 volume 409000000 weight 1.0           
REMARK dnoe: 3.253799 position 0.7544632 9.479802                               
ASSI { 124 }                                                                    
     ( attr rmsd >= 9.419802 and attr rmsd <= 9.539803 )                        
     (( attr rmsd >= 0.7144632 and attr rmsd <= 0.7944632 )                     
     and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
      3.6 3.6 1.4                                                               
      peak 124 ppm1 9.479802 ppm2 0.7544632 volume 6400000 weight 1.0           
REMARK dnoe: 2.711742 position 0.752564 9.232068                                
ASSI { 125 }                                                                    
     ( attr rmsd >= 9.172068 and attr rmsd <= 9.292068 )                        
     (( attr rmsd >= 0.712564 and attr rmsd <= 0.792564 )                       
     and bondedto ( attr rmsd >= 21.21409 and attr rmsd <= 22.81409 ))
      3.0 3.0 0.5999999                                                         
      peak 125 ppm1 9.232068 ppm2 0.752564 volume 19100000 weight 1.0           
REMARK dnoe: 3.015554 position 1.067738 9.007835                                
ASSI { 126 }                                                                    
     ( attr rmsd >= 8.947835 and attr rmsd <= 9.067836 )                        
     (( attr rmsd >= 1.027738 and attr rmsd <= 1.107738 )                       
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.6 3.6 1.4                                                               
      peak 126 ppm1 9.007835 ppm2 1.067738 volume 10100000 weight 1.0           
REMARK dnoe: 2.778689 position 1.285578 6.909654                                
ASSI { 128 }                                                                    
     ( attr rmsd >= 6.849654 and attr rmsd <= 6.969654 )                        
     (( attr rmsd >= 1.245578 and attr rmsd <= 1.325578 )                       
     and bondedto ( attr rmsd >= 21.30465 and attr rmsd <= 22.90465 ))
      3.0 3.0 0.5999999                                                         
      peak 128 ppm1 6.909654 ppm2 1.285578 volume 16500001 weight 1.0           
REMARK dnoe: 3.254647 position 1.283092 6.726903                                
ASSI { 129 }                                                                    
     ( attr rmsd >= 6.666903 and attr rmsd <= 6.786903 )                        
     (( attr rmsd >= 1.243092 and attr rmsd <= 1.323092 )                       
     and bondedto ( attr rmsd >= 21.54286 and attr rmsd <= 23.14286 ))
      3.6 3.6 1.4                                                               
      peak 129 ppm1 6.726903 ppm2 1.283092 volume 6390000 weight 1.0            
REMARK dnoe: 3.060615 position 1.144275 6.889202                                
ASSI { 130 }                                                                    
     ( attr rmsd >= 6.829202 and attr rmsd <= 6.949202 )                        
     (( attr rmsd >= 1.104275 and attr rmsd <= 1.184275 )                       
     and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
      3.6 3.6 1.4                                                               
      peak 130 ppm1 6.889202 ppm2 1.144275 volume 9240000 weight 1.0            
REMARK dnoe: 3.204801 position 0.7551429 5.979446                               
ASSI { 131 }                                                                    
     ( attr rmsd >= 5.919446 and attr rmsd <= 6.039446 )                        
     (( attr rmsd >= 0.7151429 and attr rmsd <= 0.7951429 )                     
     and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
      3.6 3.6 1.4                                                               
      peak 131 ppm1 5.979446 ppm2 0.7551429 volume 7010000 weight 1.0           
REMARK dnoe: 3.112096 position 1.285578 8.772925                                
ASSI { 132 }                                                                    
     ( attr rmsd >= 8.712925 and attr rmsd <= 8.832926 )                        
     (( attr rmsd >= 1.245578 and attr rmsd <= 1.325578 )                       
     and bondedto ( attr rmsd >= 21.30181 and attr rmsd <= 22.90181 ))
      3.6 3.6 1.4                                                               
      peak 132 ppm1 8.772925 ppm2 1.285578 volume 8360001 weight 1.0            
REMARK dnoe: 3.096251 position 1.067762 8.512366                                
ASSI { 133 }                                                                    
     ( attr rmsd >= 8.452366 and attr rmsd <= 8.572367 )                        
     (( attr rmsd >= 1.027762 and attr rmsd <= 1.107762 )                       
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.6 3.6 1.4                                                               
      peak 133 ppm1 8.512366 ppm2 1.067762 volume 8620000 weight 1.0            
REMARK dnoe: 3.247069 position 0.7600906 8.943753                               
ASSI { 134 }                                                                    
     ( attr rmsd >= 8.883753 and attr rmsd <= 9.003754 )                        
     (( attr rmsd >= 0.7200906 and attr rmsd <= 0.8000906 )                     
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.6 3.6 1.4                                                               
      peak 134 ppm1 8.943753 ppm2 0.7600906 volume 6480000 weight 1.0           
REMARK dnoe: 3.316256 position 0.7551429 8.578575                               
ASSI { 135 }                                                                    
     ( attr rmsd >= 8.518575 and attr rmsd <= 8.638576 )                        
     (( attr rmsd >= 0.7151429 and attr rmsd <= 0.7951429 )                     
     and bondedto ( attr rmsd >= 21.27993 and attr rmsd <= 22.87993 ))
      3.6 3.6 1.4                                                               
      peak 135 ppm1 8.578575 ppm2 0.7551429 volume 5710000 weight 1.0           
REMARK dnoe: 3.124043 position 0.7625766 8.119432                               
ASSI { 136 }                                                                    
     ( attr rmsd >= 8.059432 and attr rmsd <= 8.179433 )                        
     (( attr rmsd >= 0.7225766 and attr rmsd <= 0.8025766 )                     
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.6 3.6 1.4                                                               
      peak 136 ppm1 8.119432 ppm2 0.7625766 volume 0.817e+07 weight 1.0         
REMARK dnoe: 2.910286 position 1.151193 8.619155                                
ASSI { 137 }                                                                    
     ( attr rmsd >= 8.559155 and attr rmsd <= 8.679155 )                        
     (( attr rmsd >= 1.111193 and attr rmsd <= 1.191193 )                       
     and bondedto ( attr rmsd >= 21.23597 and attr rmsd <= 22.83597 ))
      3.0 3.0 0.5999999                                                         
      peak 137 ppm1 8.619155 ppm2 1.151193 volume 12500000 weight 1.0           
REMARK dnoe: 3.599839 position 1.181465 8.225662                                
ASSI { 138 }                                                                    
     ( attr rmsd >= 8.165662 and attr rmsd <= 8.285663 )                        
     (( attr rmsd >= 1.141465 and attr rmsd <= 1.221465 )                       
     and bondedto ( attr rmsd >= 21.24580 and attr rmsd <= 22.84580 ))
      3.6 3.6 1.4                                                               
      peak 138 ppm1 8.225662 ppm2 1.181465 volume 3490000 weight 1.0            
REMARK dnoe: 2.492169 position 0.8044558 4.319548                               
ASSI { 139 }                                                                    
     ( attr rmsd >= 4.259548 and attr rmsd <= 4.379548 )                        
     (( attr rmsd >= 0.7644558 and attr rmsd <= 0.8444558 )                     
     and bondedto ( attr rmsd >= 20.92929 and attr rmsd <= 22.52929 ))
      2.5 2.5 0.2                                                               
      peak 139 ppm1 4.319548 ppm2 0.8044558 volume 31700000 weight 1.0          
REMARK dnoe: 2.53234 position 0.7534785 4.035379                                
ASSI { 140 }                                                                    
     ( attr rmsd >= 3.975379 and attr rmsd <= 4.095379 )                        
     (( attr rmsd >= 0.7134785 and attr rmsd <= 0.7934785 )                     
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.0 3.0 0.5999999                                                         
      peak 140 ppm1 4.035379 ppm2 0.7534785 volume 28799998 weight 1.0          
REMARK dnoe: 2.859246 position 0.7565498 3.82599                                
ASSI { 141 }                                                                    
     ( attr rmsd >= 3.76599 and attr rmsd <= 3.88599 )                          
     (( attr rmsd >= 0.7165498 and attr rmsd <= 0.7965498 )                     
     and bondedto ( attr rmsd >= 21.03888 and attr rmsd <= 22.63888 ))
      3.0 3.0 0.5999999                                                         
      peak 141 ppm1 3.82599 ppm2 0.7565498 volume 13900000 weight 1.0           
REMARK dnoe: 2.527969 position 0.9023075 3.644356                               
ASSI { 142 }                                                                    
     ( attr rmsd >= 3.584356 and attr rmsd <= 3.704356 )                        
     (( attr rmsd >= 0.8623075 and attr rmsd <= 0.9423075 )                     
     and bondedto ( attr rmsd >= 20.86366 and attr rmsd <= 22.46366 ))
      3.0 3.0 0.5999999                                                         
      peak 142 ppm1 3.644356 ppm2 0.9023075 volume 29100000 weight 1.0          
REMARK dnoe: 4.066329 position 1.281568 5.174352                                
ASSI { 143 }                                                                    
     ( attr rmsd >= 5.114352 and attr rmsd <= 5.234352 )                        
     (( attr rmsd >= 1.241568 and attr rmsd <= 1.321568 )                       
     and bondedto ( attr rmsd >= 21.34599 and attr rmsd <= 22.94599 ))
      4.2 4.2 1.8                                                               
      peak 143 ppm1 5.174352 ppm2 1.281568 volume 1680000 weight 1.0            
REMARK dnoe: 3.279043 position 1.283608 4.95622                                 
ASSI { 144 }                                                                    
     ( attr rmsd >= 4.89622 and attr rmsd <= 5.01622 )                          
     (( attr rmsd >= 1.243608 and attr rmsd <= 1.323608 )                       
     and bondedto ( attr rmsd >= 21.36021 and attr rmsd <= 22.96021 ))
      3.6 3.6 1.4                                                               
      peak 144 ppm1 4.95622 ppm2 1.283608 volume 6110000 weight 1.0             
REMARK dnoe: 2.490861 position 1.281568 4.694823                                
ASSI { 145 }                                                                    
     ( attr rmsd >= 4.634823 and attr rmsd <= 4.754823 )                        
     (( attr rmsd >= 1.241568 and attr rmsd <= 1.321568 )                       
     and bondedto ( attr rmsd >= 21.30552 and attr rmsd <= 22.90552 ))
      2.5 2.5 0.2                                                               
      peak 145 ppm1 4.694823 ppm2 1.281568 volume 31799998 weight 1.0           
REMARK dnoe: 2.606863 position 1.282201 4.102726                                
ASSI { 146 }                                                                    
     ( attr rmsd >= 4.042726 and attr rmsd <= 4.162726 )                        
     (( attr rmsd >= 1.242201 and attr rmsd <= 1.322201 )                       
     and bondedto ( attr rmsd >= 21.30246 and attr rmsd <= 22.90246 ))
      3.0 3.0 0.5999999                                                         
      peak 146 ppm1 4.102726 ppm2 1.282201 volume 24200000 weight 1.0           
REMARK dnoe: 2.473039 position 1.067504 3.968547                                
ASSI { 147 }                                                                    
     ( attr rmsd >= 3.908547 and attr rmsd <= 4.028547 )                        
     (( attr rmsd >= 1.027504 and attr rmsd <= 1.107504 )                       
     and bondedto ( attr rmsd >= 21.26942 and attr rmsd <= 22.86942 ))
      2.5 2.5 0.2                                                               
      peak 147 ppm1 3.968547 ppm2 1.067504 volume 33199998 weight 1.0           
REMARK dnoe: 2.429869 position 1.069521 4.762514                                
ASSI { 148 }                                                                    
     ( attr rmsd >= 4.702514 and attr rmsd <= 4.822514 )                        
     (( attr rmsd >= 1.029521 and attr rmsd <= 1.109521 )                       
     and bondedto ( attr rmsd >= 21.27512 and attr rmsd <= 22.87512 ))
      2.5 2.5 0.2                                                               
      peak 148 ppm1 4.762514 ppm2 1.069521 volume 36900000 weight 1.0           
REMARK dnoe: 2.139438 position 1.146995 4.69347                                 
ASSI { 149 }                                                                    
     ( attr rmsd >= 4.63347 and attr rmsd <= 4.75347 )                          
     (( attr rmsd >= 1.106995 and attr rmsd <= 1.186995 )                       
     and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
      2.5 2.5 0.2                                                               
      peak 149 ppm1 4.69347 ppm2 1.146995 volume 79200000 weight 1.0            
REMARK dnoe: 2.206005 position 1.177596 4.120836                                
ASSI { 150 }                                                                    
     ( attr rmsd >= 4.060836 and attr rmsd <= 4.180836 )                        
     (( attr rmsd >= 1.137596 and attr rmsd <= 1.217596 )                       
     and bondedto ( attr rmsd >= 21.10472 and attr rmsd <= 22.70472 ))
      2.5 2.5 0.2                                                               
      peak 150 ppm1 4.120836 ppm2 1.177596 volume 65899996 weight 1.0           
REMARK dnoe: 2.165257 position 1.140876 4.249042                                
ASSI { 151 }                                                                    
     ( attr rmsd >= 4.189042 and attr rmsd <= 4.309042 )                        
     (( attr rmsd >= 1.100876 and attr rmsd <= 1.180876 )                       
     and bondedto ( attr rmsd >= 21.23597 and attr rmsd <= 22.83597 ))
      2.5 2.5 0.2                                                               
      peak 151 ppm1 4.249042 ppm2 1.140876 volume 73700000 weight 1.0           
REMARK dnoe: 2.169199 position 1.151076 4.550311                                
ASSI { 152 }                                                                    
     ( attr rmsd >= 4.490311 and attr rmsd <= 4.610311 )                        
     (( attr rmsd >= 1.111076 and attr rmsd <= 1.191076 )                       
     and bondedto ( attr rmsd >= 21.23597 and attr rmsd <= 22.83597 ))
      2.5 2.5 0.2                                                               
      peak 152 ppm1 4.550311 ppm2 1.151076 volume 72900000 weight 1.0           
REMARK dnoe: 2.902597 position 1.079721 3.573852                                
ASSI { 153 }                                                                    
     ( attr rmsd >= 3.513852 and attr rmsd <= 3.633852 )                        
     (( attr rmsd >= 1.039721 and attr rmsd <= 1.119721 )                       
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.0 3.0 0.5999999                                                         
      peak 153 ppm1 3.573852 ppm2 1.079721 volume 12700000 weight 1.0           
REMARK dnoe: 3.430492 position 1.065839 3.787515                                
ASSI { 154 }                                                                    
     ( attr rmsd >= 3.727515 and attr rmsd <= 3.847515 )                        
     (( attr rmsd >= 1.025839 and attr rmsd <= 1.105839 )                       
     and bondedto ( attr rmsd >= 21.17033 and attr rmsd <= 22.77033 ))
      3.6 3.6 1.4                                                               
      peak 154 ppm1 3.787515 ppm2 1.065839 volume 4660000 weight 1.0            
REMARK dnoe: 2.922093 position 1.169436 3.646505                                
ASSI { 155 }                                                                    
     ( attr rmsd >= 3.586505 and attr rmsd <= 3.706505 )                        
     (( attr rmsd >= 1.129436 and attr rmsd <= 1.209436 )                       
     and bondedto ( attr rmsd >= 21.10472 and attr rmsd <= 22.70472 ))
      3.0 3.0 0.5999999                                                         
      peak 155 ppm1 3.646505 ppm2 1.169436 volume 12200000 weight 1.0           
REMARK dnoe: 2.702391 position 1.171476 3.815292                                
ASSI { 156 }                                                                    
     ( attr rmsd >= 3.755292 and attr rmsd <= 3.875292 )                        
     (( attr rmsd >= 1.131476 and attr rmsd <= 1.211476 )                       
     and bondedto ( attr rmsd >= 21.14847 and attr rmsd <= 22.74847 ))
      3.0 3.0 0.5999999                                                         
      peak 156 ppm1 3.815292 ppm2 1.171476 volume 19500000 weight 1.0           
REMARK dnoe: 2.638701 position 1.151076 3.902897                                
ASSI { 157 }                                                                    
     ( attr rmsd >= 3.842897 and attr rmsd <= 3.962897 )                        
     (( attr rmsd >= 1.111076 and attr rmsd <= 1.191076 )                       
     and bondedto ( attr rmsd >= 21.14847 and attr rmsd <= 22.74847 ))
      3.0 3.0 0.5999999                                                         
      peak 157 ppm1 3.902897 ppm2 1.151076 volume 22500000 weight 1.0           
REMARK dnoe: 3.420773 position 1.067481 4.252888                                
ASSI { 158 }                                                                    
     ( attr rmsd >= 4.192888 and attr rmsd <= 4.312888 )                        
     (( attr rmsd >= 1.027481 and attr rmsd <= 1.107481 )                       
     and bondedto ( attr rmsd >= 21.20927 and attr rmsd <= 22.80927 ))
      3.6 3.6 1.4                                                               
      peak 158 ppm1 4.252888 ppm2 1.067481 volume 4740000 weight 1.0            
REMARK dnoe: 3.326035 position 1.07156 4.422126                                 
ASSI { 159 }                                                                    
     ( attr rmsd >= 4.362126 and attr rmsd <= 4.482126 )                        
     (( attr rmsd >= 1.03156 and attr rmsd <= 1.11156 )                         
     and bondedto ( attr rmsd >= 21.21212 and attr rmsd <= 22.81212 ))
      3.6 3.6 1.4                                                               
      peak 159 ppm1 4.422126 ppm2 1.07156 volume 5610000 weight 1.0             
REMARK dnoe: 3.403057 position 1.283115 3.309683                                
ASSI { 160 }                                                                    
     ( attr rmsd >= 3.249683 and attr rmsd <= 3.369683 )                        
     (( attr rmsd >= 1.243115 and attr rmsd <= 1.323115 )                       
     and bondedto ( attr rmsd >= 21.34555 and attr rmsd <= 22.94555 ))
      3.6 3.6 1.4                                                               
      peak 160 ppm1 3.309683 ppm2 1.283115 volume 4890000 weight 1.0            
REMARK dnoe: 3.347252 position 1.281568 3.142916                                
ASSI { 161 }                                                                    
     ( attr rmsd >= 3.082916 and attr rmsd <= 3.202916 )                        
     (( attr rmsd >= 1.241568 and attr rmsd <= 1.321568 )                       
     and bondedto ( attr rmsd >= 21.36743 and attr rmsd <= 22.96743 ))
      3.6 3.6 1.4                                                               
      peak 161 ppm1 3.142916 ppm2 1.281568 volume 5400000 weight 1.0            
REMARK dnoe: 2.402451 position 0.7534313 2.538274                               
ASSI { 162 }                                                                    
     ( attr rmsd >= 2.478274 and attr rmsd <= 2.598274 )                        
     (( attr rmsd >= 0.7134313 and attr rmsd <= 0.7934313 )                     
     and bondedto ( attr rmsd >= 21.16881 and attr rmsd <= 22.76881 ))
      2.5 2.5 0.2                                                               
      peak 162 ppm1 2.538274 ppm2 0.7534313 volume 39500000 weight 1.0          
REMARK dnoe: 2.816956 position 0.758004 2.879972                                
ASSI { 163 }                                                                    
     ( attr rmsd >= 2.819972 and attr rmsd <= 2.939972 )                        
     (( attr rmsd >= 0.718004 and attr rmsd <= 0.798004 )                       
     and bondedto ( attr rmsd >= 21.27424 and attr rmsd <= 22.87424 ))
      3.0 3.0 0.5999999                                                         
      peak 163 ppm1 2.879972 ppm2 0.758004 volume 15200000 weight 1.0           
REMARK dnoe: 2.996096 position 1.069404 2.749209                                
ASSI { 164 }                                                                    
     ( attr rmsd >= 2.689209 and attr rmsd <= 2.809209 )                        
     (( attr rmsd >= 1.029404 and attr rmsd <= 1.109404 )                       
     and bondedto ( attr rmsd >= 21.21475 and attr rmsd <= 22.81475 ))
      3.0 3.0 0.5999999                                                         
      peak 164 ppm1 2.749209 ppm2 1.069404 volume 10500000 weight 1.0           
REMARK dnoe: 2.691012 position 1.150583 3.298985                                
ASSI { 165 }                                                                    
     ( attr rmsd >= 3.238985 and attr rmsd <= 3.358985 )                        
     (( attr rmsd >= 1.110583 and attr rmsd <= 1.190583 )                       
     and bondedto ( attr rmsd >= 21.21409 and attr rmsd <= 22.81409 ))
      3.0 3.0 0.5999999                                                         
      peak 165 ppm1 3.298985 ppm2 1.150583 volume 20000000 weight 1.0           
REMARK dnoe: 2.261987 position 0.8053238 2.253525                               
ASSI { 166 }                                                                    
     ( attr rmsd >= 2.193525 and attr rmsd <= 2.313525 )                        
     (( attr rmsd >= 0.7653238 and attr rmsd <= 0.8453238 )                     
     and bondedto ( attr rmsd >= 20.92929 and attr rmsd <= 22.52929 ))
      2.5 2.5 0.2                                                               
      peak 166 ppm1 2.253525 ppm2 0.8053238 volume 56699996 weight 1.0          
REMARK dnoe: 2.221439 position 0.7527981 1.714275                               
ASSI { 167 }                                                                    
     ( attr rmsd >= 1.654275 and attr rmsd <= 1.774275 )                        
     (( attr rmsd >= 0.7127981 and attr rmsd <= 0.7927981 )                     
     and bondedto ( attr rmsd >= 21.12659 and attr rmsd <= 22.72659 ))
      2.5 2.5 0.2                                                               
      peak 167 ppm1 1.714275 ppm2 0.7527981 volume 63200004 weight 1.0          
REMARK dnoe: 2.361429 position 0.7548146 1.479258                               
ASSI { 168 }                                                                    
     ( attr rmsd >= 1.419258 and attr rmsd <= 1.539258 )                        
     (( attr rmsd >= 0.7148146 and attr rmsd <= 0.7948146 )                     
     and bondedto ( attr rmsd >= 21.19221 and attr rmsd <= 22.79221 ))
      2.5 2.5 0.2                                                               
      peak 168 ppm1 1.479258 ppm2 0.7548146 volume 43800000 weight 1.0          
REMARK dnoe: 2.332188 position 0.7588248 1.203639                               
ASSI { 169 }                                                                    
     ( attr rmsd >= 1.143639 and attr rmsd <= 1.263639 )                        
     (( attr rmsd >= 0.7188248 and attr rmsd <= 0.7988248 )                     
     and bondedto ( attr rmsd >= 21.21409 and attr rmsd <= 22.81409 ))
      2.5 2.5 0.2                                                               
      peak 169 ppm1 1.203639 ppm2 0.7588248 volume 47200000 weight 1.0          
REMARK dnoe: 2.249595 position 0.8390665 1.90869                                
ASSI { 171 }                                                                    
     ( attr rmsd >= 1.84869 and attr rmsd <= 1.96869 )                          
     (( attr rmsd >= 0.7990665 and attr rmsd <= 0.8790665 )                     
     and bondedto ( attr rmsd >= 20.88554 and attr rmsd <= 22.48554 ))
      2.5 2.5 0.2                                                               
      peak 171 ppm1 1.90869 ppm2 0.8390665 volume 58600004 weight 1.0           
REMARK dnoe: 2.551909 position 1.069755 0.6810808                               
ASSI { 172 }                                                                    
     ( attr rmsd >= 0.6210808 and attr rmsd <= 0.7410808 )                      
     (( attr rmsd >= 1.029755 and attr rmsd <= 1.109755 )                       
     and bondedto ( attr rmsd >= 21.27227 and attr rmsd <= 22.87227 ))
      3.0 3.0 0.5999999                                                         
      peak 172 ppm1 0.6810808 ppm2 1.069755 volume 27500000 weight 1.0          
REMARK dnoe: 2.652637 position 1.071772 1.305272                                
ASSI { 173 }                                                                    
     ( attr rmsd >= 1.245272 and attr rmsd <= 1.365272 )                        
     (( attr rmsd >= 1.031772 and attr rmsd <= 1.111772 )                       
     and bondedto ( attr rmsd >= 21.25346 and attr rmsd <= 22.85346 ))
      3.0 3.0 0.5999999                                                         
      peak 173 ppm1 1.305272 ppm2 1.071772 volume 21800000 weight 1.0           
REMARK dnoe: 2.469334 position 1.069755 1.477002                                
ASSI { 174 }                                                                    
     ( attr rmsd >= 1.417002 and attr rmsd <= 1.537002 )                        
     (( attr rmsd >= 1.029755 and attr rmsd <= 1.109755 )                       
     and bondedto ( attr rmsd >= 21.28190 and attr rmsd <= 22.88190 ))
      2.5 2.5 0.2                                                               
      peak 174 ppm1 1.477002 ppm2 1.069755 volume 33500000 weight 1.0           
REMARK dnoe: 2.714116 position 1.071772 1.717067                                
ASSI { 175 }                                                                    
     ( attr rmsd >= 1.657067 and attr rmsd <= 1.777067 )                        
     (( attr rmsd >= 1.031772 and attr rmsd <= 1.111772 )                       
     and bondedto ( attr rmsd >= 21.23574 and attr rmsd <= 22.83574 ))
      3.0 3.0 0.5999999                                                         
      peak 175 ppm1 1.717067 ppm2 1.071772 volume 19000000 weight 1.0           
REMARK dnoe: 3.06673 position 1.069755 1.998422                                 
ASSI { 176 }                                                                    
     ( attr rmsd >= 1.938422 and attr rmsd <= 2.058422 )                        
     (( attr rmsd >= 1.029755 and attr rmsd <= 1.109755 )                       
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.6 3.6 1.4                                                               
      peak 176 ppm1 1.998422 ppm2 1.069755 volume 9130000 weight 1.0            
REMARK dnoe: 2.558149 position 1.154405 0.6438947                               
ASSI { 186 }                                                                    
     ( attr rmsd >= 1.974705 and attr rmsd <= 2.094705 )                        
     (( attr rmsd >= 1.244405 and attr rmsd <= 1.324405 )                       
     and bondedto ( attr rmsd >= 21.31143 and attr rmsd <= 22.91143 ))
      3.0 3.0 0.5999999                                                         
      peak 186 ppm1 2.034705 ppm2 1.284405 volume 13300000 weight 1.0           


REMARK dnoe: 2.733645 position 1.149997 1.944995                                
ASSI { 189 }                                                                    
     ( attr rmsd >= 8.939994 and attr rmsd <= 9.059995 )                        
     (( attr rmsd >= 1.119024 and attr rmsd <= 1.199024 )                       
     and bondedto ( attr rmsd >= 21.10406 and attr rmsd <= 22.70406 ))
      3.6 3.6 1.4                                                               
      peak 189 ppm1 8.999994 ppm2 1.159024 volume 0.36e+07 weight 1.0           
REMARK dnoe: 3.347252 position 1.172039 9.2676                                  
ASSI { 190 }                                                                    
     ( attr rmsd >= 9.2076 and attr rmsd <= 9.3276 )                            
     (( attr rmsd >= 1.132039 and attr rmsd <= 1.212039 )                       
     and bondedto ( attr rmsd >= 21.25806 and attr rmsd <= 22.85806 ))
      3.6 3.6 1.4                                                               
      peak 190 ppm1 9.2676 ppm2 1.172039 volume 5400000 weight 1.0              
REMARK dnoe: 2.883976 position 0.8338139 8.763172                               
ASSI { 191 }                                                                    
     ( attr rmsd >= 8.703172 and attr rmsd <= 8.823173 )                        
     (( attr rmsd >= 0.7938139 and attr rmsd <= 0.8738139 )                     
     and bondedto ( attr rmsd >= 20.95116 and attr rmsd <= 22.55116 ))
      3.0 3.0 0.5999999                                                         
      peak 191 ppm1 8.763172 ppm2 0.8338139 volume 13200000 weight 1.0          
REMARK dnoe: 2.67996 position 0.9033394 4.131491                                
ASSI { 194 }                                                                    
     ( attr rmsd >= 4.071491 and attr rmsd <= 4.191491 )                        
     (( attr rmsd >= 0.8633394 and attr rmsd <= 0.9433394 )                     
     and bondedto ( attr rmsd >= 20.86366 and attr rmsd <= 22.46366 ))
      3.0 3.0 0.5999999                                                         
      peak 194 ppm1 4.131491 ppm2 0.9033394 volume 20500000 weight 1.0          
REMARK dnoe: 2.630963 position 0.8361819 4.853921                               
ASSI { 195 }                                                                    
     ( attr rmsd >= 4.793921 and attr rmsd <= 4.913921 )                        
     (( attr rmsd >= 0.7961819 and attr rmsd <= 0.8761819 )                     
     and bondedto ( attr rmsd >= 20.90741 and attr rmsd <= 22.50741 ))
      3.0 3.0 0.5999999                                                         
      peak 195 ppm1 4.853921 ppm2 0.8361819 volume 22900000 weight 1.0          
REMARK dnoe: 2.873195 position 0.8361819 4.558968                               
ASSI { 196 }                                                                    
     ( attr rmsd >= 4.498968 and attr rmsd <= 4.618968 )                        
     (( attr rmsd >= 0.7961819 and attr rmsd <= 0.8761819 )                     
     and bondedto ( attr rmsd >= 20.90741 and attr rmsd <= 22.50741 ))
      3.0 3.0 0.5999999                                                         
      peak 196 ppm1 4.558968 ppm2 0.8361819 volume 13500001 weight 1.0          
REMARK dnoe: 2.852446 position 0.8318439 3.718987                               
ASSI { 197 }                                                                    
     ( attr rmsd >= 3.658987 and attr rmsd <= 3.778987 )                        
     (( attr rmsd >= 0.7918439 and attr rmsd <= 0.8718439 )                     
     and bondedto ( attr rmsd >= 20.95116 and attr rmsd <= 22.55116 ))
      3.0 3.0 0.5999999                                                         
      peak 197 ppm1 3.718987 ppm2 0.8318439 volume 14100000 weight 1.0          
REMARK dnoe: 3.279939 position 0.9017451 7.349075                               
ASSI { 199 }                                                                    
     ( attr rmsd >= 7.289075 and attr rmsd <= 7.409075 )                        
     (( attr rmsd >= 0.8617451 and attr rmsd <= 0.9417451 )                     
     and bondedto ( attr rmsd >= 20.89844 and attr rmsd <= 22.49844 ))
      3.6 3.6 1.4                                                               
      peak 199 ppm1 7.349075 ppm2 0.9017451 volume 6100000 weight 1.0           
REMARK dnoe: 3.596413 position 0.9019089 3.224011                               
ASSI { 202 }                                                                    
     ( attr rmsd >= 2.846094 and attr rmsd <= 2.966094 )                        
     (( attr rmsd >= 0.8619089 and attr rmsd <= 0.9419089 )                     
     and bondedto ( attr rmsd >= 20.75407 and attr rmsd <= 22.35407 ))
      4.2 4.2 1.8                                                               
      peak 202 ppm1 2.906094 ppm2 0.9019089 volume 2540000 weight 1.0           
REMARK dnoe: 3.16262 position 1.182614 9.453659                                 
ASSI { 203 }                                                                    
     ( attr rmsd >= 9.393659 and attr rmsd <= 9.513659 )                        
     (( attr rmsd >= 1.142614 and attr rmsd <= 1.222614 )                       
     and bondedto ( attr rmsd >= 20.66133 and attr rmsd <= 22.26133 ))
      3.6 3.6 1.4                                                               
      peak 203 ppm1 9.453659 ppm2 1.182614 volume 7590000 weight 1.0            
REMARK dnoe: 3.06172 position 1.180762 9.22949                                  
ASSI { 204 }                                                                    
     ( attr rmsd >= 9.16949 and attr rmsd <= 9.289491 )                         
     (( attr rmsd >= 1.140762 and attr rmsd <= 1.220762 )                       
     and bondedto ( attr rmsd >= 20.67970 and attr rmsd <= 22.27970 ))
      3.6 3.6 1.4                                                               
      peak 204 ppm1 9.22949 ppm2 1.180762 volume 9220000 weight 1.0             
REMARK dnoe: 2.823181 position 1.180762 8.627168                                
ASSI { 205 }                                                                    
     ( attr rmsd >= 8.567167 and attr rmsd <= 8.687168 )                        
     (( attr rmsd >= 1.140762 and attr rmsd <= 1.220762 )                       
     and bondedto ( attr rmsd >= 20.71514 and attr rmsd <= 22.31514 ))
      3.0 3.0 0.5999999                                                         
      peak 205 ppm1 8.627168 ppm2 1.180762 volume 15000001 weight 1.0           
REMARK dnoe: 3.451805 position 1.178909 8.111012                                
ASSI { 206 }                                                                    
     ( attr rmsd >= 8.051012 and attr rmsd <= 8.171013 )                        
     (( attr rmsd >= 1.138909 and attr rmsd <= 1.218909 )                       
     and bondedto ( attr rmsd >= 20.81970 and attr rmsd <= 22.41970 ))
      3.6 3.6 1.4                                                               
      peak 206 ppm1 8.111012 ppm2 1.178909 volume 4490000 weight 1.0            
REMARK dnoe: 3.260627 position 0.9021201 8.062504                               
ASSI { 207 }                                                                    
     ( attr rmsd >= 8.002503 and attr rmsd <= 8.122504 )                        
     (( attr rmsd >= 0.8621201 and attr rmsd <= 0.9421201 )                     
     and bondedto ( attr rmsd >= 20.77092 and attr rmsd <= 22.37092 ))
      3.6 3.6 1.4                                                               
      peak 207 ppm1 8.062504 ppm2 0.9021201 volume 6320001 weight 1.0           
REMARK dnoe: 2.572589 position 0.7869391 8.100142                               
ASSI { 208 }                                                                    
     ( attr rmsd >= 8.040141 and attr rmsd <= 8.160142 )                        
     (( attr rmsd >= 0.7469391 and attr rmsd <= 0.8269391 )                     
     and bondedto ( attr rmsd >= 20.63267 and attr rmsd <= 22.23267 ))
      3.0 3.0 0.5999999                                                         
      peak 208 ppm1 8.100142 ppm2 0.7869391 volume 26200000 weight 1.0          
REMARK dnoe: 2.553459 position 0.7825077 9.226376                               
ASSI { 209 }                                                                    
     ( attr rmsd >= 9.166375 and attr rmsd <= 9.286376 )                        
     (( attr rmsd >= 0.7425077 and attr rmsd <= 0.8225077 )                     
     and bondedto ( attr rmsd >= 20.76764 and attr rmsd <= 22.36764 ))
      3.0 3.0 0.5999999                                                         
      peak 209 ppm1 9.226376 ppm2 0.7825077 volume 27399998 weight 1.0          
REMARK dnoe: 3.439156 position 1.174079 5.290765                                
ASSI { 210 }                                                                    
     ( attr rmsd >= 5.230765 and attr rmsd <= 5.350765 )                        
     (( attr rmsd >= 1.134079 and attr rmsd <= 1.214079 )                       
     and bondedto ( attr rmsd >= 20.71601 and attr rmsd <= 22.31601 ))
      3.6 3.6 1.4                                                               
      peak 210 ppm1 5.290765 ppm2 1.174079 volume 4590000 weight 1.0            
REMARK dnoe: 2.667106 position 1.180738 5.000753                                
ASSI { 211 }                                                                    
     ( attr rmsd >= 4.940753 and attr rmsd <= 5.060753 )                        
     (( attr rmsd >= 1.140738 and attr rmsd <= 1.220738 )                       
     and bondedto ( attr rmsd >= 20.66111 and attr rmsd <= 22.26111 ))
      3.0 3.0 0.5999999                                                         
      peak 211 ppm1 5.000753 ppm2 1.180738 volume 21100000 weight 1.0           
REMARK dnoe: 2.24076 position 1.180738 4.704618                                 
ASSI { 212 }                                                                    
     ( attr rmsd >= 4.644618 and attr rmsd <= 4.764618 )                        
     (( attr rmsd >= 1.140738 and attr rmsd <= 1.220738 )                       
     and bondedto ( attr rmsd >= 20.75954 and attr rmsd <= 22.35954 ))
      2.5 2.5 0.2                                                               
      peak 212 ppm1 4.704618 ppm2 1.180738 volume 60000004 weight 1.0           
REMARK dnoe: 2.234596 position 1.17851 4.472308                                 
ASSI { 213 }                                                                    
     ( attr rmsd >= 4.412308 and attr rmsd <= 4.532308 )                        
     (( attr rmsd >= 1.13851 and attr rmsd <= 1.21851 )                         
     and bondedto ( attr rmsd >= 20.75954 and attr rmsd <= 22.35954 ))
      2.5 2.5 0.2                                                               
      peak 213 ppm1 4.472308 ppm2 1.17851 volume 61000000 weight 1.0            
REMARK dnoe: 2.353438 position 1.180738 4.04307                                 
ASSI { 214 }                                                                    
     ( attr rmsd >= 3.98307 and attr rmsd <= 4.10307 )                          
     (( attr rmsd >= 1.140738 and attr rmsd <= 1.220738 )                       
     and bondedto ( attr rmsd >= 20.71403 and attr rmsd <= 22.31403 ))
      2.5 2.5 0.2                                                               
      peak 214 ppm1 4.04307 ppm2 1.180738 volume 44700000 weight 1.0            
REMARK dnoe: 2.393447 position 0.786869 4.038644                                
ASSI { 215 }                                                                    
     ( attr rmsd >= 3.978644 and attr rmsd <= 4.098644 )                        
     (( attr rmsd >= 0.746869 and attr rmsd <= 0.826869 )                       
     and bondedto ( attr rmsd >= 20.64602 and attr rmsd <= 22.24602 ))
      2.5 2.5 0.2                                                               
      peak 215 ppm1 4.038644 ppm2 0.786869 volume 40400000 weight 1.0           
REMARK dnoe: 2.773115 position 0.786869 3.824035                                
ASSI { 216 }                                                                    
     ( attr rmsd >= 3.764035 and attr rmsd <= 3.884035 )                        
     (( attr rmsd >= 0.746869 and attr rmsd <= 0.826869 )                       
     and bondedto ( attr rmsd >= 20.66876 and attr rmsd <= 22.26876 ))
      3.0 3.0 0.5999999                                                         
      peak 216 ppm1 3.824035 ppm2 0.786869 volume 16700000 weight 1.0           
REMARK dnoe: 2.051102 position 0.7847352 1.709506                               
ASSI { 217 }                                                                    
     ( attr rmsd >= 1.649506 and attr rmsd <= 1.769506 )                        
     (( attr rmsd >= 0.7447352 and attr rmsd <= 0.8247352 )                     
     and bondedto ( attr rmsd >= 20.60051 and attr rmsd <= 22.20051 ))
      2.5 2.5 0.2                                                               
      peak 217 ppm1 1.709506 ppm2 0.7847352 volume 102000000 weight 1.0         
REMARK dnoe: 2.359637 position 1.178253 0.7669671                               
ASSI { 218 }                                                                    
     ( attr rmsd >= 0.7069671 and attr rmsd <= 0.8269671 )                      
     (( attr rmsd >= 1.138253 and attr rmsd <= 1.218253 )                       
     and bondedto ( attr rmsd >= 20.66876 and attr rmsd <= 22.26876 ))
      2.5 2.5 0.2                                                               
      peak 218 ppm1 0.7669671 ppm2 1.178253 volume 44000000 weight 1.0          
REMARK dnoe: 3.424395 position 0.7858608 0.1046872                              
ASSI { 219 }                                                                    
     ( attr rmsd >= 0.0446872 and attr rmsd <= 0.1646872 )                      
     (( attr rmsd >= 0.7458608 and attr rmsd <= 0.8258608 )                     
     and bondedto ( attr rmsd >= 20.64602 and attr rmsd <= 22.24602 ))
      3.6 3.6 1.4                                                               
      peak 219 ppm1 0.1046872 ppm2 0.7858608 volume 4710000 weight 1.0          
REMARK dnoe: 2.175714 position 0.7860019 1.176421                               
ASSI { 220 }                                                                    
     ( attr rmsd >= 1.116421 and attr rmsd <= 1.236421 )                        
     (( attr rmsd >= 0.7460019 and attr rmsd <= 0.8260019 )                     
     and bondedto ( attr rmsd >= 20.60051 and attr rmsd <= 22.20051 ))
      2.5 2.5 0.2                                                               
      peak 220 ppm1 1.176421 ppm2 0.7860019 volume 71600000 weight 1.0          
REMARK dnoe: 2.303037 position 0.7408397 1.904952                               
ASSI { 221 }                                                                    
     ( attr rmsd >= 1.844952 and attr rmsd <= 1.964952 )                        
     (( attr rmsd >= 0.7008397 and attr rmsd <= 0.7808397 )                     
     and bondedto ( attr rmsd >= 20.23674 and attr rmsd <= 21.83674 ))
      2.5 2.5 0.2                                                               
      peak 221 ppm1 1.904952 ppm2 0.7408397 volume 50900000 weight 1.0          
REMARK dnoe: 3.1266 position 0.742434 8.761539                                  
ASSI { 222 }                                                                    
     ( attr rmsd >= 8.701539 and attr rmsd <= 8.82154 )                         
     (( attr rmsd >= 0.702434 and attr rmsd <= 0.782434 )                       
     and bondedto ( attr rmsd >= 20.21421 and attr rmsd <= 21.81421 ))
      3.6 3.6 1.4                                                               
      peak 222 ppm1 8.761539 ppm2 0.742434 volume 8130000 weight 1.0            
REMARK dnoe: 3.231467 position 0.7399716 8.898769                               
ASSI { 223 }                                                                    
     ( attr rmsd >= 8.838769 and attr rmsd <= 8.95877 )                         
     (( attr rmsd >= 0.6999716 and attr rmsd <= 0.7799716 )                     
     and bondedto ( attr rmsd >= 20.18359 and attr rmsd <= 21.78359 ))
      3.6 3.6 1.4                                                               
      peak 223 ppm1 8.898769 ppm2 0.7399716 volume 6670000 weight 1.0           
REMARK dnoe: 3.352445 position 0.742434 9.053936                                
ASSI { 224 }                                                                    
     ( attr rmsd >= 8.993936 and attr rmsd <= 9.113936 )                        
     (( attr rmsd >= 0.702434 and attr rmsd <= 0.782434 )                       
     and bondedto ( attr rmsd >= 20.16717 and attr rmsd <= 21.76717 ))
      3.6 3.6 1.4                                                               
      peak 224 ppm1 9.053936 ppm2 0.742434 volume 5350001 weight 1.0            
REMARK dnoe: 3.124043 position 0.7523293 9.192089                               
ASSI { 225 }                                                                    
     ( attr rmsd >= 9.132089 and attr rmsd <= 9.25209 )                         
     (( attr rmsd >= 0.7123293 and attr rmsd <= 0.7923293 )                     
     and bondedto ( attr rmsd >= 20.25687 and attr rmsd <= 21.85687 ))
      3.6 3.6 1.4                                                               
      peak 225 ppm1 9.192089 ppm2 0.7523293 volume 0.817e+07 weight 1.0         
REMARK dnoe: 3.082112 position 0.8312106 8.896105                               
ASSI { 226 }                                                                    
     ( attr rmsd >= 8.836104 and attr rmsd <= 8.956105 )                        
     (( attr rmsd >= 0.7912106 and attr rmsd <= 0.8712106 )                     
     and bondedto ( attr rmsd >= 20.91485 and attr rmsd <= 22.51485 ))
      3.6 3.6 1.4                                                               
      peak 226 ppm1 8.896105 ppm2 0.8312106 volume 8860000 weight 1.0           
REMARK dnoe: 2.996096 position 0.8352208 9.080618                               
ASSI { 227 }                                                                    
     ( attr rmsd >= 9.020617 and attr rmsd <= 9.140618 )                        
     (( attr rmsd >= 0.7952208 and attr rmsd <= 0.8752208 )                     
     and bondedto ( attr rmsd >= 20.93344 and attr rmsd <= 22.53344 ))
      3.0 3.0 0.5999999                                                         
      peak 227 ppm1 9.080618 ppm2 0.8352208 volume 10500000 weight 1.0          
REMARK dnoe: 4.201853 position 0.739362 6.658095                                
ASSI { 228 }                                                                    
     ( attr rmsd >= 6.598095 and attr rmsd <= 6.718095 )                        
     (( attr rmsd >= 0.699362 and attr rmsd <= 0.779362 )                       
     and bondedto ( attr rmsd >= 20.22974 and attr rmsd <= 21.82974 ))
      4.2 4.2 1.8                                                               
      peak 228 ppm1 6.658095 ppm2 0.739362 volume 1380000 weight 1.0            
REMARK dnoe: 3.808209 position -0.2029967 6.61324                               
ASSI { 229 }                                                                    
     ( attr rmsd >= 6.55324 and attr rmsd <= 6.67324 )                          
     (( attr rmsd >= -0.2429967 and attr rmsd <= -0.1629967 )                   
     and bondedto ( attr rmsd >= 20.19102 and attr rmsd <= 21.79102 ))
      4.2 4.2 1.8                                                               
      peak 229 ppm1 6.61324 ppm2 -0.2029967 volume 2490000 weight 1.0           
REMARK dnoe: 3.544494 position -0.19418 6.780458                                
ASSI { 230 }                                                                    
     ( attr rmsd >= 6.720458 and attr rmsd <= 6.840458 )                        
     (( attr rmsd >= -0.23418 and attr rmsd <= -0.15418 )                       
     and bondedto ( attr rmsd >= 20.09719 and attr rmsd <= 21.69719 ))
      3.6 3.6 1.4                                                               
      peak 230 ppm1 6.780458 ppm2 -0.19418 volume 0.383e+07 weight 1.0          
REMARK dnoe: 2.736156 position 0.7382598 4.700838                               
ASSI { 231 }                                                                    
     ( attr rmsd >= 4.640838 and attr rmsd <= 4.760838 )                        
     (( attr rmsd >= 0.6982598 and attr rmsd <= 0.7782598 )                     
     and bondedto ( attr rmsd >= 20.22821 and attr rmsd <= 21.82821 ))
      3.0 3.0 0.5999999                                                         
      peak 231 ppm1 4.700838 ppm2 0.7382598 volume 18100000 weight 1.0          
REMARK dnoe: 2.601515 position 0.738307 4.849452                                
ASSI { 232 }                                                                    
     ( attr rmsd >= 4.789452 and attr rmsd <= 4.909452 )                        
     (( attr rmsd >= 0.698307 and attr rmsd <= 0.778307 )                       
     and bondedto ( attr rmsd >= 20.23455 and attr rmsd <= 21.83455 ))
      3.0 3.0 0.5999999                                                         
      peak 232 ppm1 4.849452 ppm2 0.738307 volume 24500000 weight 1.0           
REMARK dnoe: 3.205563 position 0.7396667 5.135383                               
ASSI { 233 }                                                                    
     ( attr rmsd >= 5.075383 and attr rmsd <= 5.195383 )                        
     (( attr rmsd >= 0.6996667 and attr rmsd <= 0.7796667 )                     
     and bondedto ( attr rmsd >= 20.21531 and attr rmsd <= 21.81531 ))
      3.6 3.6 1.4                                                               
      peak 233 ppm1 5.135383 ppm2 0.7396667 volume 7000000 weight 1.0           
REMARK dnoe: 3.042237 position 0.739362 4.578581                                
ASSI { 234 }                                                                    
     ( attr rmsd >= 4.518581 and attr rmsd <= 4.638581 )                        
     (( attr rmsd >= 0.699362 and attr rmsd <= 0.779362 )                       
     and bondedto ( attr rmsd >= 20.06066 and attr rmsd <= 21.66066 ))
      3.6 3.6 1.4                                                               
      peak 234 ppm1 4.578581 ppm2 0.739362 volume 9580000 weight 1.0            
REMARK dnoe: 3.754849 position -0.196619 4.226207                               
ASSI { 235 }                                                                    
     ( attr rmsd >= 4.166207 and attr rmsd <= 4.286207 )                        
     (( attr rmsd >= -0.236619 and attr rmsd <= -0.156619 )                     
     and bondedto ( attr rmsd >= 20.25227 and attr rmsd <= 21.85227 ))
      4.2 4.2 1.8                                                               
      peak 235 ppm1 4.226207 ppm2 -0.196619 volume 2710000 weight 1.0           
REMARK dnoe: 3.330004 position 0.7418945 3.20008                                
ASSI { 236 }                                                                    
     ( attr rmsd >= 3.14008 and attr rmsd <= 3.26008 )                          
     (( attr rmsd >= 0.7018945 and attr rmsd <= 0.7818945 )                     
     and bondedto ( attr rmsd >= 20.26671 and attr rmsd <= 21.86671 ))
      3.6 3.6 1.4                                                               
      peak 236 ppm1 3.20008 ppm2 0.7418945 volume 5570000 weight 1.0            
REMARK dnoe: 3.114585 position -0.1828542 0.1496072                             
ASSI { 237 }                                                                    
     ( attr rmsd >= 0.0896072 and attr rmsd <= 0.2096072 )                      
     (( attr rmsd >= -0.2228542 and attr rmsd <= -0.1428542 )                   
     and bondedto ( attr rmsd >= 20.17396 and attr rmsd <= 21.77396 ))
      3.6 3.6 1.4                                                               
      peak 237 ppm1 0.1496072 ppm2 -0.1828542 volume 8320000 weight 1.0         
REMARK dnoe: 2.801802 position -0.1908975 0.4085984                             
ASSI { 238 }                                                                    
     ( attr rmsd >= 0.3485984 and attr rmsd <= 0.4685984 )                      
     (( attr rmsd >= -0.2308975 and attr rmsd <= -0.1508975 )                   
     and bondedto ( attr rmsd >= 20.24156 and attr rmsd <= 21.84156 ))
      3.0 3.0 0.5999999                                                         
      peak 238 ppm1 0.4085984 ppm2 -0.1908975 volume 15700001 weight 1.0        
REMARK dnoe: 2.891324 position -0.1962676 1.072983                              
ASSI { 239 }                                                                    
     ( attr rmsd >= 1.012983 and attr rmsd <= 1.132983 )                        
     (( attr rmsd >= -0.2362676 and attr rmsd <= -0.1562676 )                   
     and bondedto ( attr rmsd >= 20.14990 and attr rmsd <= 21.74990 ))
      3.0 3.0 0.5999999                                                         
      peak 239 ppm1 1.072983 ppm2 -0.1962676 volume 13000000 weight 1.0         
REMARK dnoe: 2.481838 position 0.7399952 1.543468                               
ASSI { 240 }                                                                    
     ( attr rmsd >= 1.483468 and attr rmsd <= 1.603468 )                        
     (( attr rmsd >= 0.6999952 and attr rmsd <= 0.7799952 )                     
     and bondedto ( attr rmsd >= 20.23521 and attr rmsd <= 21.83521 ))
      2.5 2.5 0.2                                                               
      peak 240 ppm1 1.543468 ppm2 0.7399952 volume 32499998 weight 1.0          
REMARK dnoe: 2.4718 position 0.7417305 1.634661                                 
ASSI { 241 }                                                                    
     ( attr rmsd >= 1.574661 and attr rmsd <= 1.694661 )                        
     (( attr rmsd >= 0.7017305 and attr rmsd <= 0.7817305 )                     
     and bondedto ( attr rmsd >= 20.23981 and attr rmsd <= 21.83981 ))
      2.5 2.5 0.2                                                               
      peak 241 ppm1 1.634661 ppm2 0.7417305 volume 33300000 weight 1.0          
REMARK dnoe: 2.59277 position 0.7417305 1.327506                                
ASSI { 242 }                                                                    
     ( attr rmsd >= 1.267506 and attr rmsd <= 1.387506 )                        
     (( attr rmsd >= 0.7017305 and attr rmsd <= 0.7817305 )                     
     and bondedto ( attr rmsd >= 20.24199 and attr rmsd <= 21.84199 ))
      3.0 3.0 0.5999999                                                         
      peak 242 ppm1 1.327506 ppm2 0.7417305 volume 25000000 weight 1.0          
REMARK dnoe: 2.146728 position 0.7417305 0.9803517                              
ASSI { 243 }                                                                    
     ( attr rmsd >= 0.9203517 and attr rmsd <= 1.040352 )                       
     (( attr rmsd >= 0.7017305 and attr rmsd <= 0.7817305 )                     
     and bondedto ( attr rmsd >= 20.22581 and attr rmsd <= 21.82581 ))
      2.5 2.5 0.2                                                               
      peak 243 ppm1 0.9803517 ppm2 0.7417305 volume 77600000 weight 1.0         
REMARK dnoe: 3.507336 position 0.7399952 2.188713                               
ASSI { 244 }                                                                    
     ( attr rmsd >= 2.128713 and attr rmsd <= 2.248713 )                        
     (( attr rmsd >= 0.6999952 and attr rmsd <= 0.7799952 )                     
     and bondedto ( attr rmsd >= 20.14706 and attr rmsd <= 21.74706 ))
      3.6 3.6 1.4                                                               
      peak 244 ppm1 2.188713 ppm2 0.7399952 volume 4080000 weight 1.0           
REMARK dnoe: 2.303037 position 0.1053071 0.7080841                              
ASSI { 245 }                                                                    
     ( attr rmsd >= 0.6480841 and attr rmsd <= 0.7680841 )                      
     (( attr rmsd >= 0.0653071 and attr rmsd <= 0.1453071 )                     
     and bondedto ( attr rmsd >= 19.58532 and attr rmsd <= 21.18532 ))
      2.5 2.5 0.2                                                               
      peak 245 ppm1 0.7080841 ppm2 0.1053071 volume 50900000 weight 1.0         
REMARK dnoe: 3.353491 position 0.1049085 1.198182                               
ASSI { 246 }                                                                    
     ( attr rmsd >= 1.138182 and attr rmsd <= 1.258182 )                        
     (( attr rmsd >= 0.0649085 and attr rmsd <= 0.1449085 )                     
     and bondedto ( attr rmsd >= 19.57242 and attr rmsd <= 21.17242 ))
      3.6 3.6 1.4                                                               
      peak 246 ppm1 1.198182 ppm2 0.1049085 volume 5340000 weight 1.0           
REMARK dnoe: 2.764899 position 0.1058702 1.583275                               
ASSI { 247 }                                                                    
     ( attr rmsd >= 1.523275 and attr rmsd <= 1.643275 )                        
     (( attr rmsd >= 0.0658702 and attr rmsd <= 0.1458702 )                     
     and bondedto ( attr rmsd >= 19.56279 and attr rmsd <= 21.16279 ))
      3.0 3.0 0.5999999                                                         
      peak 247 ppm1 1.583275 ppm2 0.1058702 volume 17000000 weight 1.0          
REMARK dnoe: 2.364136 position 0.1053071 1.863964                               
ASSI { 249 }                                                                    
     ( attr rmsd >= 1.803964 and attr rmsd <= 1.923964 )                        
     (( attr rmsd >= 0.0653071 and attr rmsd <= 0.1453071 )                     
     and bondedto ( attr rmsd >= 19.59167 and attr rmsd <= 21.19167 ))
      2.5 2.5 0.2                                                               
      peak 249 ppm1 1.863964 ppm2 0.1053071 volume 43500000 weight 1.0          
REMARK dnoe: 3.220299 position 0.1034312 2.119496                               
ASSI { 250 }                                                                    
     ( attr rmsd >= 2.059496 and attr rmsd <= 2.179496 )                        
     (( attr rmsd >= 0.0634312 and attr rmsd <= 0.1434312 )                     
     and bondedto ( attr rmsd >= 19.64351 and attr rmsd <= 21.24351 ))
      3.6 3.6 1.4                                                               
      peak 250 ppm1 2.119496 ppm2 0.1034312 volume 6810000 weight 1.0           
REMARK dnoe: 2.662915 position 0.1054015 3.835593                               
ASSI { 251 }                                                                    
     ( attr rmsd >= 3.775593 and attr rmsd <= 3.895593 )                        
     (( attr rmsd >= 0.0654015 and attr rmsd <= 0.1454015 )                     
     and bondedto ( attr rmsd >= 19.59167 and attr rmsd <= 21.19167 ))
      3.0 3.0 0.5999999                                                         
      peak 251 ppm1 3.835593 ppm2 0.1054015 volume 21300000 weight 1.0          
REMARK dnoe: 2.996096 position 0.1087775 3.971705                               
ASSI { 252 }                                                                    
     ( attr rmsd >= 3.911705 and attr rmsd <= 4.031705 )                        
     (( attr rmsd >= 0.0687775 and attr rmsd <= 0.1487775 )                     
     and bondedto ( attr rmsd >= 19.56302 and attr rmsd <= 21.16302 ))
      3.0 3.0 0.5999999                                                         
      peak 252 ppm1 3.971705 ppm2 0.1087775 volume 10500000 weight 1.0          
REMARK dnoe: 3.462164 position 0.1054478 4.424661                               
ASSI { 253 }                                                                    
     ( attr rmsd >= 4.364661 and attr rmsd <= 4.484661 )                        
     (( attr rmsd >= 0.0654478 and attr rmsd <= 0.1454478 )                     
     and bondedto ( attr rmsd >= 19.59669 and attr rmsd <= 21.19669 ))
      3.6 3.6 1.4                                                               
      peak 253 ppm1 4.424661 ppm2 0.1054478 volume 4410000 weight 1.0           
REMARK dnoe: 3.137631 position 0.1031265 6.572251                               
ASSI { 255 }                                                                    
     ( attr rmsd >= 6.512251 and attr rmsd <= 6.632251 )                        
     (( attr rmsd >= 0.0631265 and attr rmsd <= 0.1431265 )                     
     and bondedto ( attr rmsd >= 19.59123 and attr rmsd <= 21.19123 ))
      3.6 3.6 1.4                                                               
      peak 255 ppm1 6.572251 ppm2 0.1031265 volume 7960000 weight 1.0           
REMARK dnoe: 3.14894 position 0.1045332 6.869567                                
ASSI { 256 }                                                                    
     ( attr rmsd >= 6.809567 and attr rmsd <= 6.929567 )                        
     (( attr rmsd >= 0.0645332 and attr rmsd <= 0.1445332 )                     
     and bondedto ( attr rmsd >= 19.59932 and attr rmsd <= 21.19932 ))
      3.6 3.6 1.4                                                               
      peak 256 ppm1 6.869567 ppm2 0.1045332 volume 7790000 weight 1.0           
REMARK dnoe: 3.738923 position 0.1053777 7.144413                               
ASSI { 257 }                                                                    
     ( attr rmsd >= 7.084413 and attr rmsd <= 7.204413 )                        
     (( attr rmsd >= 0.0653777 and attr rmsd <= 0.1453777 )                     
     and bondedto ( attr rmsd >= 19.58707 and attr rmsd <= 21.18707 ))
      4.2 4.2 1.8                                                               
      peak 257 ppm1 7.144413 ppm2 0.1053777 volume 2780000 weight 1.0           
REMARK dnoe: 2.972957 position 0.105237 8.11215                                 
ASSI { 258 }                                                                    
     ( attr rmsd >= 8.05215 and attr rmsd <= 8.172151 )                         
     (( attr rmsd >= 0.065237 and attr rmsd <= 0.145237 )                       
     and bondedto ( attr rmsd >= 19.59582 and attr rmsd <= 21.19582 ))
      3.0 3.0 0.5999999                                                         
      peak 258 ppm1 8.11215 ppm2 0.105237 volume 11000000 weight 1.0            
REMARK dnoe: 3.37599 position 0.1129518 8.947276                                
ASSI { 259 }                                                                    
     ( attr rmsd >= 8.887276 and attr rmsd <= 9.007277 )                        
     (( attr rmsd >= 0.0729518 and attr rmsd <= 0.1529518 )                     
     and bondedto ( attr rmsd >= 19.70060 and attr rmsd <= 21.30060 ))
      3.6 3.6 1.4                                                               
      peak 259 ppm1 8.947276 ppm2 0.1129518 volume 5130000 weight 1.0           
REMARK dnoe: 3.648475 position 0.1087775 9.233486                               
ASSI { 260 }                                                                    
     ( attr rmsd >= 9.173486 and attr rmsd <= 9.293487 )                        
     (( attr rmsd >= 0.0687775 and attr rmsd <= 0.1487775 )                     
     and bondedto ( attr rmsd >= 19.59932 and attr rmsd <= 21.19932 ))
      4.2 4.2 1.8                                                               
      peak 260 ppm1 9.233486 ppm2 0.1087775 volume 3220000 weight 1.0           
REMARK dnoe: 2.964042 position 0.7300999 8.03578                                
ASSI { 261 }                                                                    
     ( attr rmsd >= 7.97578 and attr rmsd <= 8.09578 )                          
     (( attr rmsd >= 0.6900999 and attr rmsd <= 0.7700999 )                     
     and bondedto ( attr rmsd >= 18.34986 and attr rmsd <= 19.94986 ))
      3.0 3.0 0.5999999                                                         
      peak 261 ppm1 8.03578 ppm2 0.7300999 volume 11200000 weight 1.0           
REMARK dnoe: 3.320143 position 0.7269342 7.876123                               
ASSI { 262 }                                                                    
     ( attr rmsd >= 7.816123 and attr rmsd <= 7.936123 )                        
     (( attr rmsd >= 0.6869342 and attr rmsd <= 0.7669342 )                     
     and bondedto ( attr rmsd >= 18.34986 and attr rmsd <= 19.94986 ))
      3.6 3.6 1.4                                                               
      peak 262 ppm1 7.876123 ppm2 0.7269342 volume 0.567e+07 weight 1.0         
REMARK dnoe: 2.741228 position 0.7282007 4.330676                               
ASSI { 264 }                                                                    
     ( attr rmsd >= 4.270676 and attr rmsd <= 4.390676 )                        
     (( attr rmsd >= 0.6882007 and attr rmsd <= 0.7682007 )                     
     and bondedto ( attr rmsd >= 18.27833 and attr rmsd <= 19.87833 ))
      3.0 3.0 0.5999999                                                         
      peak 264 ppm1 4.330676 ppm2 0.7282007 volume 17900000 weight 1.0          
REMARK dnoe: 3.67362 position 0.7236516 4.019331                                
ASSI { 265 }                                                                    
     ( attr rmsd >= 3.959331 and attr rmsd <= 4.079331 )                        
     (( attr rmsd >= 0.6836516 and attr rmsd <= 0.7636516 )                     
     and bondedto ( attr rmsd >= 18.29036 and attr rmsd <= 19.89036 ))
      4.2 4.2 1.8                                                               
      peak 265 ppm1 4.019331 ppm2 0.7236516 volume 0.309e+07 weight 1.0         
REMARK dnoe: 3.675606 position 0.7304749 3.704808                               
ASSI { 266 }                                                                    
     ( attr rmsd >= 3.644808 and attr rmsd <= 3.764808 )                        
     (( attr rmsd >= 0.6904749 and attr rmsd <= 0.7704749 )                     
     and bondedto ( attr rmsd >= 18.22780 and attr rmsd <= 19.82780 ))
      4.2 4.2 1.8                                                               
      peak 266 ppm1 3.704808 ppm2 0.7304749 volume 3080000 weight 1.0           
REMARK dnoe: 2.358744 position 0.7286458 2.255694                               
ASSI { 267 }                                                                    
     ( attr rmsd >= 2.195694 and attr rmsd <= 2.315694 )                        
     (( attr rmsd >= 0.6886458 and attr rmsd <= 0.7686458 )                     
     and bondedto ( attr rmsd >= 18.27199 and attr rmsd <= 19.87199 ))
      2.5 2.5 0.2                                                               
      peak 267 ppm1 2.255694 ppm2 0.7286458 volume 44100000 weight 1.0          
REMARK dnoe: 1.96236 position 0.6761675 0.987849                                
ASSI { 268 }                                                                    
     ( attr rmsd >= 0.927849 and attr rmsd <= 1.047849 )                        
     (( attr rmsd >= 0.6361675 and attr rmsd <= 0.7161675 )                     
     and bondedto ( attr rmsd >= 17.59257 and attr rmsd <= 19.19257 ))
      2.5 2.5 0.2                                                               
      peak 268 ppm1 0.987849 ppm2 0.6761675 volume 133000000 weight 1.0         
REMARK dnoe: 2.19129 position 0.6761675 1.355197                                
ASSI { 269 }                                                                    
     ( attr rmsd >= 1.295197 and attr rmsd <= 1.415197 )                        
     (( attr rmsd >= 0.6361675 and attr rmsd <= 0.7161675 )                     
     and bondedto ( attr rmsd >= 17.58601 and attr rmsd <= 19.18601 ))
      2.5 2.5 0.2                                                               
      peak 269 ppm1 1.355197 ppm2 0.6761675 volume 68600000 weight 1.0          
REMARK dnoe: 2.130564 position 0.6761675 1.880784                               
ASSI { 270 }                                                                    
     ( attr rmsd >= 1.820784 and attr rmsd <= 1.940784 )                        
     (( attr rmsd >= 0.6361675 and attr rmsd <= 0.7161675 )                     
     and bondedto ( attr rmsd >= 17.60525 and attr rmsd <= 19.20525 ))
      2.5 2.5 0.2                                                               
      peak 270 ppm1 1.880784 ppm2 0.6761675 volume 81200000 weight 1.0          
REMARK dnoe: 2.022399 position 0.6737995 1.689011                               
ASSI { 272 }                                                                    
     ( attr rmsd >= 2.138337 and attr rmsd <= 2.258337 )                        
     (( attr rmsd >= 0.6337995 and attr rmsd <= 0.7137995 )                     
     and bondedto ( attr rmsd >= 17.63063 and attr rmsd <= 19.23063 ))
      3.0 3.0 0.5999999                                                         
      peak 272 ppm1 2.198337 ppm2 0.6737995 volume 23300000 weight 1.0          
REMARK dnoe: 2.669218 position 0.6725097 2.046564                               
ASSI { 273 }                                                                    
     ( attr rmsd >= 1.986564 and attr rmsd <= 2.106564 )                        
     (( attr rmsd >= 0.6325096 and attr rmsd <= 0.7125097 )                     
     and bondedto ( attr rmsd >= 17.59257 and attr rmsd <= 19.19257 ))
      3.0 3.0 0.5999999                                                         
      peak 273 ppm1 2.046564 ppm2 0.6725097 volume 21000000 weight 1.0          
REMARK dnoe: 2.942544 position 1.273385 3.545366                                
ASSI { 275 }                                                                    
     ( attr rmsd >= 3.485366 and attr rmsd <= 3.605366 )                        
     (( attr rmsd >= 1.233385 and attr rmsd <= 1.313385 )                       
     and bondedto ( attr rmsd >= 17.72885 and attr rmsd <= 19.32885 ))
      3.0 3.0 0.5999999                                                         
      peak 275 ppm1 3.545366 ppm2 1.273385 volume 11700000 weight 1.0           
REMARK dnoe: 3.158473 position 1.274439 3.69368                                 
ASSI { 276 }                                                                    
     ( attr rmsd >= 3.63368 and attr rmsd <= 3.75368 )                          
     (( attr rmsd >= 1.234439 and attr rmsd <= 1.314439 )                       
     and bondedto ( attr rmsd >= 17.69340 and attr rmsd <= 19.29340 ))
      3.6 3.6 1.4                                                               
      peak 276 ppm1 3.69368 ppm2 1.274439 volume 7650000 weight 1.0             
REMARK dnoe: 2.682145 position 1.268858 4.498968                                
ASSI { 277 }                                                                    
     ( attr rmsd >= 4.438968 and attr rmsd <= 4.558968 )                        
     (( attr rmsd >= 1.228858 and attr rmsd <= 1.308858 )                       
     and bondedto ( attr rmsd >= 17.69932 and attr rmsd <= 19.29932 ))
      3.0 3.0 0.5999999                                                         
      peak 277 ppm1 4.498968 ppm2 1.268858 volume 20400000 weight 1.0           
REMARK dnoe: 2.654671 position 0.6755109 4.875747                               
ASSI { 279 }                                                                    
     ( attr rmsd >= 4.815747 and attr rmsd <= 4.935747 )                        
     (( attr rmsd >= 0.6355109 and attr rmsd <= 0.7155109 )                     
     and bondedto ( attr rmsd >= 17.59739 and attr rmsd <= 19.19739 ))
      3.0 3.0 0.5999999                                                         
      peak 279 ppm1 4.875747 ppm2 0.6755109 volume 21700000 weight 1.0          
REMARK dnoe: 2.792977 position 0.6755109 4.734629                               
ASSI { 280 }                                                                    
     ( attr rmsd >= 4.674629 and attr rmsd <= 4.794629 )                        
     (( attr rmsd >= 0.6355109 and attr rmsd <= 0.7155109 )                     
     and bondedto ( attr rmsd >= 17.57770 and attr rmsd <= 19.17770 ))
      3.0 3.0 0.5999999                                                         
      peak 280 ppm1 4.734629 ppm2 0.6755109 volume 16000000 weight 1.0          
REMARK dnoe: 3.062829 position 0.6732135 4.576111                               
ASSI { 281 }                                                                    
     ( attr rmsd >= 4.516111 and attr rmsd <= 4.636111 )                        
     (( attr rmsd >= 0.6332135 and attr rmsd <= 0.7132135 )                     
     and bondedto ( attr rmsd >= 17.59739 and attr rmsd <= 19.19739 ))
      3.6 3.6 1.4                                                               
      peak 281 ppm1 4.576111 ppm2 0.6732135 volume 9200000 weight 1.0           
REMARK dnoe: 3.635421 position 0.6718764 5.047584                               
ASSI { 282 }                                                                    
     ( attr rmsd >= 4.987584 and attr rmsd <= 5.107584 )                        
     (( attr rmsd >= 0.6318763 and attr rmsd <= 0.7118764 )                     
     and bondedto ( attr rmsd >= 17.68269 and attr rmsd <= 19.28269 ))
      4.2 4.2 1.8                                                               
      peak 282 ppm1 5.047584 ppm2 0.6718764 volume 3290000 weight 1.0           
REMARK dnoe: 2.934244 position 0.6678901 2.938403                               
ASSI { 283 }                                                                    
     ( attr rmsd >= 2.878403 and attr rmsd <= 2.998403 )                        
     (( attr rmsd >= 0.6278901 and attr rmsd <= 0.7078901 )                     
     and bondedto ( attr rmsd >= 17.60460 and attr rmsd <= 19.20460 ))
      3.0 3.0 0.5999999                                                         
      peak 283 ppm1 2.938403 ppm2 0.6678901 volume 11900000 weight 1.0          
REMARK dnoe: 2.977485 position 0.6731896 5.452763                               
ASSI { 284 }                                                                    
     ( attr rmsd >= 5.392763 and attr rmsd <= 5.512763 )                        
     (( attr rmsd >= 0.6331896 and attr rmsd <= 0.7131896 )                     
     and bondedto ( attr rmsd >= 17.62166 and attr rmsd <= 19.22166 ))
      3.0 3.0 0.5999999                                                         
      peak 284 ppm1 5.452763 ppm2 0.6731896 volume 10900000 weight 1.0          
REMARK dnoe: 3.361938 position 0.6764021 8.335158                               
ASSI { 285 }                                                                    
     ( attr rmsd >= 8.275158 and attr rmsd <= 8.395159 )                        
     (( attr rmsd >= 0.6364021 and attr rmsd <= 0.7164021 )                     
     and bondedto ( attr rmsd >= 17.57507 and attr rmsd <= 19.17507 ))
      3.6 3.6 1.4                                                               
      peak 285 ppm1 8.335158 ppm2 0.6764021 volume 5260000 weight 1.0           
REMARK dnoe: 2.591045 position 0.6734009 9.08197                                
ASSI { 286 }                                                                    
     ( attr rmsd >= 9.02197 and attr rmsd <= 9.141971 )                         
     (( attr rmsd >= 0.6334009 and attr rmsd <= 0.7134009 )                     
     and bondedto ( attr rmsd >= 17.58142 and attr rmsd <= 19.18142 ))
      3.0 3.0 0.5999999                                                         
      peak 286 ppm1 9.08197 ppm2 0.6734009 volume 25099998 weight 1.0           
REMARK dnoe: 3.149615 position 0.6718292 9.876797                               
ASSI { 287 }                                                                    
     ( attr rmsd >= 9.816796 and attr rmsd <= 9.936797 )                        
     (( attr rmsd >= 0.6318292 and attr rmsd <= 0.7118292 )                     
     and bondedto ( attr rmsd >= 17.62429 and attr rmsd <= 19.22429 ))
      3.6 3.6 1.4                                                               
      peak 287 ppm1 9.876797 ppm2 0.6718292 volume 7780000 weight 1.0           
REMARK dnoe: 2.669218 position 3.730276 7.897026                                
ASSI { 288 }                                                                    
     ( attr rmsd >= 7.837026 and attr rmsd <= 7.957026 )                        
     (( attr rmsd >= 3.690276 and attr rmsd <= 3.770276 )                       
     and bondedto ( attr rmsd >= 45.60751 and attr rmsd <= 47.20751 ))
      3.0 3.0 0.5999999                                                         
      peak 288 ppm1 7.897026 ppm2 3.730276 volume 21000000 weight 1.0           
REMARK dnoe: 2.934244 position 3.724109 6.855754                                
ASSI { 289 }                                                                    
     ( attr rmsd >= 6.795754 and attr rmsd <= 6.915754 )                        
     (( attr rmsd >= 3.684109 and attr rmsd <= 3.764109 )                       
     and bondedto ( attr rmsd >= 45.58476 and attr rmsd <= 47.18476 ))
      3.0 3.0 0.5999999                                                         
      peak 289 ppm1 6.855754 ppm2 3.724109 volume 11900000 weight 1.0           
REMARK dnoe: 2.914185 position 3.721037 6.670555                                
ASSI { 290 }                                                                    
     ( attr rmsd >= 6.610555 and attr rmsd <= 6.730555 )                        
     (( attr rmsd >= 3.681037 and attr rmsd <= 3.761037 )                       
     and bondedto ( attr rmsd >= 45.58476 and attr rmsd <= 47.18476 ))
      3.0 3.0 0.5999999                                                         
      peak 290 ppm1 6.670555 ppm2 3.721037 volume 12400000 weight 1.0           
REMARK dnoe: 2.144889 position 3.743196 4.100922                                
ASSI { 291 }                                                                    
     ( attr rmsd >= 4.040922 and attr rmsd <= 4.160922 )                        
     (( attr rmsd >= 3.703196 and attr rmsd <= 3.783196 )                       
     and bondedto ( attr rmsd >= 45.24374 and attr rmsd <= 46.84374 ))
      2.5 2.5 0.2                                                               
      peak 291 ppm1 4.100922 ppm2 3.743196 volume 78000000 weight 1.0           
REMARK dnoe: 1.980123 position 3.602973 4.099031                                
ASSI { 292 }                                                                    
     ( attr rmsd >= 4.039031 and attr rmsd <= 4.159031 )                        
     (( attr rmsd >= 3.562973 and attr rmsd <= 3.642973 )                       
     and bondedto ( attr rmsd >= 45.08449 and attr rmsd <= 46.68449 ))
      2.5 2.5 0.2                                                               
      peak 292 ppm1 4.099031 ppm2 3.602973 volume 126000000 weight 1.0          
REMARK dnoe: 2.136749 position 4.106699 3.731231                                
ASSI { 293 }                                                                    
     ( attr rmsd >= 3.671231 and attr rmsd <= 3.791231 )                        
     (( attr rmsd >= 4.066699 and attr rmsd <= 4.146699 )                       
     and bondedto ( attr rmsd >= 45.22098 and attr rmsd <= 46.82098 ))
      2.5 2.5 0.2                                                               
      peak 293 ppm1 3.731231 ppm2 4.106699 volume 79800000 weight 1.0           
REMARK dnoe: 2.034808 position 4.094482 3.591703                                
ASSI { 294 }                                                                    
     ( attr rmsd >= 3.531703 and attr rmsd <= 3.651703 )                        
     (( attr rmsd >= 4.054482 and attr rmsd <= 4.134482 )                       
     and bondedto ( attr rmsd >= 45.19824 and attr rmsd <= 46.79824 ))
      2.5 2.5 0.2                                                               
      peak 294 ppm1 3.591703 ppm2 4.094482 volume 107000000 weight 1.0          
REMARK dnoe: 2.972957 position 1.845253 9.126289                                
ASSI { 295 }                                                                    
     ( attr rmsd >= 9.066289 and attr rmsd <= 9.18629 )                         
     (( attr rmsd >= 1.805253 and attr rmsd <= 1.885253 )                       
     and bondedto ( attr rmsd >= 45.14202 and attr rmsd <= 46.74202 ))
      3.0 3.0 0.5999999                                                         
      peak 295 ppm1 9.126289 ppm2 1.845253 volume 11000000 weight 1.0           
REMARK dnoe: 3.000879 position 1.097847 9.126289                                
ASSI { 296 }                                                                    
     ( attr rmsd >= 9.066289 and attr rmsd <= 9.18629 )                         
     (( attr rmsd >= 1.057847 and attr rmsd <= 1.137847 )                       
     and bondedto ( attr rmsd >= 45.05321 and attr rmsd <= 46.65321 ))
      3.6 3.6 1.4                                                               
      peak 296 ppm1 9.126289 ppm2 1.097847 volume 10400000 weight 1.0           
REMARK dnoe: 3.258911 position 3.606021 8.699993                                
ASSI { 297 }                                                                    
     ( attr rmsd >= 8.639993 and attr rmsd <= 8.759994 )                        
     (( attr rmsd >= 3.566021 and attr rmsd <= 3.646021 )                       
     and bondedto ( attr rmsd >= 45.12824 and attr rmsd <= 46.72824 ))
      3.6 3.6 1.4                                                               
      peak 297 ppm1 8.699993 ppm2 3.606021 volume 6340000 weight 1.0            
REMARK dnoe: 3.145584 position 4.104284 8.699993                                
ASSI { 298 }                                                                    
     ( attr rmsd >= 8.639993 and attr rmsd <= 8.759994 )                        
     (( attr rmsd >= 4.064284 and attr rmsd <= 4.144284 )                       
     and bondedto ( attr rmsd >= 45.07814 and attr rmsd <= 46.67814 ))
      3.6 3.6 1.4                                                               
      peak 298 ppm1 8.699993 ppm2 4.104284 volume 7840000 weight 1.0            
REMARK dnoe: 3.276367 position 4.095514 7.150406                                
ASSI { 299 }                                                                    
     ( attr rmsd >= 7.090406 and attr rmsd <= 7.210406 )                        
     (( attr rmsd >= 4.055514 and attr rmsd <= 4.135514 )                       
     and bondedto ( attr rmsd >= 45.12824 and attr rmsd <= 46.72824 ))
      3.6 3.6 1.4                                                               
      peak 299 ppm1 7.150406 ppm2 4.095514 volume 6140000 weight 1.0            
REMARK dnoe: 3.505905 position 3.607897 7.153521                                
ASSI { 300 }                                                                    
     ( attr rmsd >= 7.093521 and attr rmsd <= 7.213521 )                        
     (( attr rmsd >= 3.567897 and attr rmsd <= 3.647897 )                       
     and bondedto ( attr rmsd >= 45.15317 and attr rmsd <= 46.75317 ))
      3.6 3.6 1.4                                                               
      peak 300 ppm1 7.153521 ppm2 3.607897 volume 4090000 weight 1.0            
REMARK dnoe: 3.289901 position 1.845581 6.833326                                
ASSI { 301 }                                                                    
     ( attr rmsd >= 6.773326 and attr rmsd <= 6.893326 )                        
     (( attr rmsd >= 1.805581 and attr rmsd <= 1.885581 )                       
     and bondedto ( attr rmsd >= 45.20305 and attr rmsd <= 46.80305 ))
      3.6 3.6 1.4                                                               
      peak 301 ppm1 6.833326 ppm2 1.845581 volume 5990000 weight 1.0            
REMARK dnoe: 3.586267 position 1.098245 6.830212                                
ASSI { 302 }                                                                    
     ( attr rmsd >= 6.770212 and attr rmsd <= 6.890212 )                        
     (( attr rmsd >= 1.058245 and attr rmsd <= 1.138245 )                       
     and bondedto ( attr rmsd >= 45.20305 and attr rmsd <= 46.80305 ))
      3.6 3.6 1.4                                                               
      peak 302 ppm1 6.830212 ppm2 1.098245 volume 3570000 weight 1.0            
REMARK dnoe: 3.068975 position 1.845253 5.414739                                
ASSI { 303 }                                                                    
     ( attr rmsd >= 5.354739 and attr rmsd <= 5.474739 )                        
     (( attr rmsd >= 1.805253 and attr rmsd <= 1.885253 )                       
     and bondedto ( attr rmsd >= 45.11183 and attr rmsd <= 46.71183 ))
      3.6 3.6 1.4                                                               
      peak 303 ppm1 5.414739 ppm2 1.845253 volume 9090000 weight 1.0            
REMARK dnoe: 3.015554 position 1.094494 5.414739                                
ASSI { 304 }                                                                    
     ( attr rmsd >= 5.354739 and attr rmsd <= 5.474739 )                        
     (( attr rmsd >= 1.054494 and attr rmsd <= 1.134494 )                       
     and bondedto ( attr rmsd >= 45.10505 and attr rmsd <= 46.70505 ))
      3.6 3.6 1.4                                                               
      peak 304 ppm1 5.414739 ppm2 1.094494 volume 10100000 weight 1.0           
REMARK dnoe: 3.434186 position 1.100895 4.727067                                
ASSI { 305 }                                                                    
     ( attr rmsd >= 4.667067 and attr rmsd <= 4.787067 )                        
     (( attr rmsd >= 1.060895 and attr rmsd <= 1.140895 )                       
     and bondedto ( attr rmsd >= 45.10308 and attr rmsd <= 46.70308 ))
      3.6 3.6 1.4                                                               
      peak 305 ppm1 4.727067 ppm2 1.100895 volume 4630000 weight 1.0            
REMARK dnoe: 3.429266 position 1.850881 4.723953                                
ASSI { 306 }                                                                    
     ( attr rmsd >= 4.663953 and attr rmsd <= 4.783953 )                        
     (( attr rmsd >= 1.810881 and attr rmsd <= 1.890881 )                       
     and bondedto ( attr rmsd >= 45.12824 and attr rmsd <= 46.72824 ))
      3.6 3.6 1.4                                                               
      peak 306 ppm1 4.723953 ppm2 1.850881 volume 4670000 weight 1.0            
REMARK dnoe: 2.887634 position 4.106113 4.506143                                
ASSI { 307 }                                                                    
     ( attr rmsd >= 4.446143 and attr rmsd <= 4.566143 )                        
     (( attr rmsd >= 4.066113 and attr rmsd <= 4.146113 )                       
     and bondedto ( attr rmsd >= 45.05321 and attr rmsd <= 46.65321 ))
      3.0 3.0 0.5999999                                                         
      peak 307 ppm1 4.506143 ppm2 4.106113 volume 13100000 weight 1.0           
REMARK dnoe: 2.930154 position 3.613196 4.49059                                 
ASSI { 308 }                                                                    
     ( attr rmsd >= 4.43059 and attr rmsd <= 4.55059 )                          
     (( attr rmsd >= 3.573196 and attr rmsd <= 3.653196 )                       
     and bondedto ( attr rmsd >= 45.07814 and attr rmsd <= 46.67814 ))
      3.0 3.0 0.5999999                                                         
      peak 308 ppm1 4.49059 ppm2 3.613196 volume 12000000 weight 1.0            
REMARK dnoe: 2.385638 position 1.091398 1.835736                                
ASSI { 309 }                                                                    
     ( attr rmsd >= 1.775736 and attr rmsd <= 1.895736 )                        
     (( attr rmsd >= 1.051398 and attr rmsd <= 1.131398 )                       
     and bondedto ( attr rmsd >= 45.10724 and attr rmsd <= 46.70724 ))
      2.5 2.5 0.2                                                               
      peak 309 ppm1 1.835736 ppm2 1.091398 volume 41200000 weight 1.0           
REMARK dnoe: 2.394435 position 1.845487 1.083231                                
ASSI { 310 }                                                                    
     ( attr rmsd >= 1.023231 and attr rmsd <= 1.143231 )                        
     (( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )                       
     and bondedto ( attr rmsd >= 45.06174 and attr rmsd <= 46.66174 ))
      2.5 2.5 0.2                                                               
      peak 310 ppm1 1.083231 ppm2 1.845487 volume 40300000 weight 1.0           
REMARK dnoe: 3.098652 position 1.845487 1.512599                                
ASSI { 311 }                                                                    
     ( attr rmsd >= 1.452599 and attr rmsd <= 1.572599 )                        
     (( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )                       
     and bondedto ( attr rmsd >= 45.06174 and attr rmsd <= 46.66174 ))
      3.6 3.6 1.4                                                               
      peak 311 ppm1 1.512599 ppm2 1.845487 volume 8580000 weight 1.0            
REMARK dnoe: 3.331002 position 1.091352 1.508173                                
ASSI { 312 }                                                                    
     ( attr rmsd >= 1.448173 and attr rmsd <= 1.568173 )                        
     (( attr rmsd >= 1.051352 and attr rmsd <= 1.131352 )                       
     and bondedto ( attr rmsd >= 44.99349 and attr rmsd <= 46.59349 ))
      3.6 3.6 1.4                                                               
      peak 312 ppm1 1.508173 ppm2 1.091352 volume 5560000 weight 1.0            
REMARK dnoe: 2.538249 position 1.845487 0.9637022                               
ASSI { 313 }                                                                    
     ( attr rmsd >= 0.9037022 and attr rmsd <= 1.023702 )                       
     (( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )                       
     and bondedto ( attr rmsd >= 45.06174 and attr rmsd <= 46.66174 ))
      3.0 3.0 0.5999999                                                         
      peak 313 ppm1 0.9637022 ppm2 1.845487 volume 28400000 weight 1.0          
REMARK dnoe: 2.675627 position 1.094728 0.9437881                               
ASSI { 314 }                                                                    
     ( attr rmsd >= 0.8837881 and attr rmsd <= 1.003788 )                       
     (( attr rmsd >= 1.054728 and attr rmsd <= 1.134728 )                       
     and bondedto ( attr rmsd >= 45.01624 and attr rmsd <= 46.61624 ))
      3.0 3.0 0.5999999                                                         
      peak 314 ppm1 0.9437881 ppm2 1.094728 volume 20700000 weight 1.0          
REMARK dnoe: 2.500118 position 1.842111 0.7025416                               
ASSI { 315 }                                                                    
     ( attr rmsd >= 0.6425416 and attr rmsd <= 0.7625416 )                      
     (( attr rmsd >= 1.802111 and attr rmsd <= 1.882111 )                       
     and bondedto ( attr rmsd >= 44.97096 and attr rmsd <= 46.57096 ))
      3.0 3.0 0.5999999                                                         
      peak 315 ppm1 0.7025416 ppm2 1.842111 volume 31099998 weight 1.0          
REMARK dnoe: 2.682145 position 1.094728 0.6981163                               
ASSI { 316 }                                                                    
     ( attr rmsd >= 0.6381163 and attr rmsd <= 0.7581163 )                      
     (( attr rmsd >= 1.054728 and attr rmsd <= 1.134728 )                       
     and bondedto ( attr rmsd >= 45.01624 and attr rmsd <= 46.61624 ))
      3.0 3.0 0.5999999                                                         
      peak 316 ppm1 0.6981163 ppm2 1.094728 volume 20400000 weight 1.0          
REMARK dnoe: 2.603289 position 1.091352 0.5387602                               
ASSI { 317 }                                                                    
     ( attr rmsd >= 0.4787602 and attr rmsd <= 0.5987602 )                      
     (( attr rmsd >= 1.051352 and attr rmsd <= 1.131352 )                       
     and bondedto ( attr rmsd >= 45.10724 and attr rmsd <= 46.70724 ))
      3.0 3.0 0.5999999                                                         
      peak 317 ppm1 0.5387602 ppm2 1.091352 volume 24400000 weight 1.0          
REMARK dnoe: 2.512385 position 1.845487 0.5498233                               
ASSI { 318 }                                                                    
     ( attr rmsd >= 0.4898233 and attr rmsd <= 0.6098233 )                      
     (( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )                       
     and bondedto ( attr rmsd >= 45.10724 and attr rmsd <= 46.70724 ))
      3.0 3.0 0.5999999                                                         
      peak 318 ppm1 0.5498233 ppm2 1.845487 volume 30199998 weight 1.0          
REMARK dnoe: 2.959654 position 1.845487 0.2532597                               
ASSI { 319 }                                                                    
     ( attr rmsd >= 0.1932597 and attr rmsd <= 0.3132597 )                      
     (( attr rmsd >= 1.805487 and attr rmsd <= 1.885487 )                       
     and bondedto ( attr rmsd >= 45.03899 and attr rmsd <= 46.63899 ))
      3.0 3.0 0.5999999                                                         
      peak 319 ppm1 0.2532597 ppm2 1.845487 volume 11300000 weight 1.0          
REMARK dnoe: 3.024606 position 1.094728 0.2554722                               
ASSI { 320 }                                                                    
     ( attr rmsd >= 0.1954722 and attr rmsd <= 0.3154722 )                      
     (( attr rmsd >= 1.054728 and attr rmsd <= 1.134728 )                       
     and bondedto ( attr rmsd >= 45.01624 and attr rmsd <= 46.61624 ))
      3.6 3.6 1.4                                                               
      peak 320 ppm1 0.2554722 ppm2 1.094728 volume 9920000 weight 1.0           
REMARK dnoe: 2.358744 position 2.044333 0.6927667                               
ASSI { 321 }                                                                    
     ( attr rmsd >= 0.6327667 and attr rmsd <= 0.7527667 )                      
     (( attr rmsd >= 2.004333 and attr rmsd <= 2.084333 )                       
     and bondedto ( attr rmsd >= 44.67522 and attr rmsd <= 46.27522 ))
      2.5 2.5 0.2                                                               
      peak 321 ppm1 0.6927667 ppm2 2.044333 volume 44100000 weight 1.0          
REMARK dnoe: 2.356081 position 2.038025 1.272361                                
ASSI { 322 }                                                                    
     ( attr rmsd >= 1.212361 and attr rmsd <= 1.332361 )                        
     (( attr rmsd >= 1.998025 and attr rmsd <= 2.078025 )                       
     and bondedto ( attr rmsd >= 44.62994 and attr rmsd <= 46.22994 ))
      2.5 2.5 0.2                                                               
      peak 322 ppm1 1.272361 ppm2 2.038025 volume 44400000 weight 1.0           
REMARK dnoe: 2.652637 position 2.041191 1.460396                                
ASSI { 323 }                                                                    
     ( attr rmsd >= 1.400396 and attr rmsd <= 1.520396 )                        
     (( attr rmsd >= 2.001191 and attr rmsd <= 2.081191 )                       
     and bondedto ( attr rmsd >= 44.58444 and attr rmsd <= 46.18444 ))
      3.0 3.0 0.5999999                                                         
      peak 323 ppm1 1.460396 ppm2 2.041191 volume 21800000 weight 1.0           
REMARK dnoe: 2.39842 position 1.276948 0.6883416                                
ASSI { 324 }                                                                    
     ( attr rmsd >= 0.6283416 and attr rmsd <= 0.7483416 )                      
     (( attr rmsd >= 1.236948 and attr rmsd <= 1.316948 )                       
     and bondedto ( attr rmsd >= 44.72072 and attr rmsd <= 46.32072 ))
      2.5 2.5 0.2                                                               
      peak 324 ppm1 0.6883416 ppm2 1.276948 volume 39900000 weight 1.0          
REMARK dnoe: 2.832704 position 1.276948 1.464822                                
ASSI { 325 }                                                                    
     ( attr rmsd >= 1.404822 and attr rmsd <= 1.524822 )                        
     (( attr rmsd >= 1.236948 and attr rmsd <= 1.316948 )                       
     and bondedto ( attr rmsd >= 44.62994 and attr rmsd <= 46.22994 ))
      3.0 3.0 0.5999999                                                         
      peak 325 ppm1 1.464822 ppm2 1.276948 volume 14700000 weight 1.0           
REMARK dnoe: 2.460838 position 1.270617 2.031161                                
ASSI { 326 }                                                                    
     ( attr rmsd >= 1.971161 and attr rmsd <= 2.091161 )                        
     (( attr rmsd >= 1.230617 and attr rmsd <= 1.310617 )                       
     and bondedto ( attr rmsd >= 44.69797 and attr rmsd <= 46.29797 ))
      2.5 2.5 0.2                                                               
      peak 326 ppm1 2.031161 ppm2 1.270617 volume 34200000 weight 1.0           
REMARK dnoe: 3.435424 position 2.046513 4.123005                                
ASSI { 327 }                                                                    
     ( attr rmsd >= 4.063005 and attr rmsd <= 4.183005 )                        
     (( attr rmsd >= 2.006513 and attr rmsd <= 2.086513 )                       
     and bondedto ( attr rmsd >= 44.58597 and attr rmsd <= 46.18597 ))
      3.6 3.6 1.4                                                               
      peak 327 ppm1 4.123005 ppm2 2.046513 volume 4620000 weight 1.0            
REMARK dnoe: 3.370537 position 1.264591 4.143435                                
ASSI { 328 }                                                                    
     ( attr rmsd >= 4.083435 and attr rmsd <= 4.203435 )                        
     (( attr rmsd >= 1.224591 and attr rmsd <= 1.304591 )                       
     and bondedto ( attr rmsd >= 44.63388 and attr rmsd <= 46.23388 ))
      3.6 3.6 1.4                                                               
      peak 328 ppm1 4.143435 ppm2 1.264591 volume 5180000 weight 1.0            
REMARK dnoe: 2.629053 position 3.557036 0.7495232                               
ASSI { 329 }                                                                    
     ( attr rmsd >= 0.6895232 and attr rmsd <= 0.8095232 )                      
     (( attr rmsd >= 3.517036 and attr rmsd <= 3.597036 )                       
     and bondedto ( attr rmsd >= 44.71700 and attr rmsd <= 46.31700 ))
      3.0 3.0 0.5999999                                                         
      peak 329 ppm1 0.7495232 ppm2 3.557036 volume 23000000 weight 1.0          
REMARK dnoe: 2.741228 position 4.117204 0.7378583                               
ASSI { 330 }                                                                    
     ( attr rmsd >= 0.6778583 and attr rmsd <= 0.7978583 )                      
     (( attr rmsd >= 4.077204 and attr rmsd <= 4.157204 )                       
     and bondedto ( attr rmsd >= 44.72991 and attr rmsd <= 46.32991 ))
      3.0 3.0 0.5999999                                                         
      peak 330 ppm1 0.7378583 ppm2 4.117204 volume 17900000 weight 1.0          
REMARK dnoe: 1.927719 position 4.13812 3.55093                                  
ASSI { 331 }                                                                    
     ( attr rmsd >= 3.49093 and attr rmsd <= 3.61093 )                          
     (( attr rmsd >= 4.09812 and attr rmsd <= 4.17812 )                         
     and bondedto ( attr rmsd >= 44.72072 and attr rmsd <= 46.32072 ))
      2.5 2.5 0.2                                                               
      peak 331 ppm1 3.55093 ppm2 4.13812 volume 148000000 weight 1.0            
REMARK dnoe: 2.022399 position 3.54414 4.123005                                 
ASSI { 332 }                                                                    
     ( attr rmsd >= 4.063005 and attr rmsd <= 4.183005 )                        
     (( attr rmsd >= 3.50414 and attr rmsd <= 3.58414 )                         
     and bondedto ( attr rmsd >= 44.65794 and attr rmsd <= 46.25794 ))
      2.5 2.5 0.2                                                               
      peak 332 ppm1 4.123005 ppm2 3.54414 volume 111000000 weight 1.0           
REMARK dnoe: 3.146254 position 2.036313 5.392419                                
ASSI { 333 }                                                                    
     ( attr rmsd >= 5.332419 and attr rmsd <= 5.452419 )                        
     (( attr rmsd >= 1.996313 and attr rmsd <= 2.076313 )                       
     and bondedto ( attr rmsd >= 44.77781 and attr rmsd <= 46.37781 ))
      3.6 3.6 1.4                                                               
      peak 333 ppm1 5.392419 ppm2 2.036313 volume 7830000 weight 1.0            
REMARK dnoe: 3.205563 position 1.264591 5.392419                                
ASSI { 334 }                                                                    
     ( attr rmsd >= 5.332419 and attr rmsd <= 5.452419 )                        
     (( attr rmsd >= 1.224591 and attr rmsd <= 1.304591 )                       
     and bondedto ( attr rmsd >= 44.70584 and attr rmsd <= 46.30584 ))
      3.6 3.6 1.4                                                               
      peak 334 ppm1 5.392419 ppm2 1.264591 volume 7000000 weight 1.0            
REMARK dnoe: 3.366218 position 4.135026 7.925447                                
ASSI { 335 }                                                                    
     ( attr rmsd >= 7.865447 and attr rmsd <= 7.985447 )                        
     (( attr rmsd >= 4.095026 and attr rmsd <= 4.175026 )                       
     and bondedto ( attr rmsd >= 44.80187 and attr rmsd <= 46.40187 ))
      3.6 3.6 1.4                                                               
      peak 335 ppm1 7.925447 ppm2 4.135026 volume 5220000 weight 1.0            
REMARK dnoe: 3.34622 position 3.554316 7.925447                                 
ASSI { 336 }                                                                    
     ( attr rmsd >= 7.865447 and attr rmsd <= 7.985447 )                        
     (( attr rmsd >= 3.514316 and attr rmsd <= 3.594316 )                       
     and bondedto ( attr rmsd >= 44.92174 and attr rmsd <= 46.52174 ))
      3.6 3.6 1.4                                                               
      peak 336 ppm1 7.925447 ppm2 3.554316 volume 5410000 weight 1.0            
REMARK dnoe: 3.101672 position 2.051602 6.860287                                
ASSI { 337 }                                                                    
     ( attr rmsd >= 6.800287 and attr rmsd <= 6.920287 )                        
     (( attr rmsd >= 2.011602 and attr rmsd <= 2.091602 )                       
     and bondedto ( attr rmsd >= 44.65794 and attr rmsd <= 46.25794 ))
      3.6 3.6 1.4                                                               
      peak 337 ppm1 6.860287 ppm2 2.051602 volume 8530000 weight 1.0            
REMARK dnoe: 2.991367 position 1.267124 6.863209                                
ASSI { 338 }                                                                    
     ( attr rmsd >= 6.803209 and attr rmsd <= 6.923209 )                        
     (( attr rmsd >= 1.227124 and attr rmsd <= 1.307124 )                       
     and bondedto ( attr rmsd >= 44.63388 and attr rmsd <= 46.23388 ))
      3.0 3.0 0.5999999                                                         
      peak 338 ppm1 6.863209 ppm2 1.267124 volume 10600000 weight 1.0           
REMARK dnoe: 2.914185 position 2.036313 9.226976                                
ASSI { 339 }                                                                    
     ( attr rmsd >= 9.166976 and attr rmsd <= 9.286977 )                        
     (( attr rmsd >= 1.996313 and attr rmsd <= 2.076313 )                       
     and bondedto ( attr rmsd >= 44.65794 and attr rmsd <= 46.25794 ))
      3.0 3.0 0.5999999                                                         
      peak 339 ppm1 9.226976 ppm2 2.036313 volume 12400000 weight 1.0           
REMARK dnoe: 3.015554 position 1.256947 9.200704                                
ASSI { 340 }                                                                    
     ( attr rmsd >= 9.140703 and attr rmsd <= 9.260704 )                        
     (( attr rmsd >= 1.216947 and attr rmsd <= 1.296947 )                       
     and bondedto ( attr rmsd >= 44.60982 and attr rmsd <= 46.20982 ))
      3.6 3.6 1.4                                                               
      peak 340 ppm1 9.200704 ppm2 1.256947 volume 10100000 weight 1.0           
REMARK dnoe: 3.49321 position 0.7130523 9.854412                                
ASSI { 341 }                                                                    
     ( attr rmsd >= 9.794412 and attr rmsd <= 9.914412 )                        
     (( attr rmsd >= 0.6730523 and attr rmsd <= 0.7530523 )                     
     and bondedto ( attr rmsd >= 16.88691 and attr rmsd <= 18.48691 ))
      3.6 3.6 1.4                                                               
      peak 341 ppm1 9.854412 ppm2 0.7130523 volume 0.418e+07 weight 1.0         
REMARK dnoe: 3.401898 position 0.1688299 9.847216                               
ASSI { 342 }                                                                    
     ( attr rmsd >= 9.787215 and attr rmsd <= 9.907216 )                        
     (( attr rmsd >= 0.1288299 and attr rmsd <= 0.2088299 )                     
     and bondedto ( attr rmsd >= 16.92147 and attr rmsd <= 18.52147 ))
      3.6 3.6 1.4                                                               
      peak 342 ppm1 9.847216 ppm2 0.1688299 volume 4900000 weight 1.0           
REMARK dnoe: 3.197244 position 0.7093947 9.386633                               
ASSI { 343 }                                                                    
     ( attr rmsd >= 9.326632 and attr rmsd <= 9.446633 )                        
     (( attr rmsd >= 0.6693947 and attr rmsd <= 0.7493947 )                     
     and bondedto ( attr rmsd >= 16.96587 and attr rmsd <= 18.56587 ))
      3.6 3.6 1.4                                                               
      peak 343 ppm1 9.386633 ppm2 0.7093947 volume 7110001 weight 1.0           
REMARK dnoe: 2.608662 position 0.7093947 9.119823                               
ASSI { 344 }                                                                    
     ( attr rmsd >= 9.059823 and attr rmsd <= 9.179824 )                        
     (( attr rmsd >= 0.6693947 and attr rmsd <= 0.7493947 )                     
     and bondedto ( attr rmsd >= 16.95997 and attr rmsd <= 18.55997 ))
      3.0 3.0 0.5999999                                                         
      peak 344 ppm1 9.119823 ppm2 0.7093947 volume 24100000 weight 1.0          
REMARK dnoe: 2.982062 position 0.7613337 8.459541                               
ASSI { 345 }                                                                    
     ( attr rmsd >= 8.399541 and attr rmsd <= 8.519542 )                        
     (( attr rmsd >= 0.7213337 and attr rmsd <= 0.8013337 )                     
     and bondedto ( attr rmsd >= 16.95449 and attr rmsd <= 18.55449 ))
      3.0 3.0 0.5999999                                                         
      peak 345 ppm1 8.459541 ppm2 0.7613337 volume 10800000 weight 1.0          
REMARK dnoe: 3.03437 position 0.7623656 8.353655                                
ASSI { 346 }                                                                    
     ( attr rmsd >= 8.293654 and attr rmsd <= 8.413655 )                        
     (( attr rmsd >= 0.7223656 and attr rmsd <= 0.8023656 )                     
     and bondedto ( attr rmsd >= 16.93130 and attr rmsd <= 18.53130 ))
      3.6 3.6 1.4                                                               
      peak 346 ppm1 8.353655 ppm2 0.7623656 volume 9730000 weight 1.0           
REMARK dnoe: 3.966568 position 0.3295245 8.336769                               
ASSI { 347 }                                                                    
     ( attr rmsd >= 8.276769 and attr rmsd <= 8.39677 )                         
     (( attr rmsd >= 0.2895245 and attr rmsd <= 0.3695245 )                     
     and bondedto ( attr rmsd >= 16.83200 and attr rmsd <= 18.43200 ))
      4.2 4.2 1.8                                                               
      peak 347 ppm1 8.336769 ppm2 0.3295245 volume 0.195e+07 weight 1.0         
REMARK dnoe: 4.116865 position 0.3350115 8.523859                               
ASSI { 348 }                                                                    
     ( attr rmsd >= 8.463859 and attr rmsd <= 8.583859 )                        
     (( attr rmsd >= 0.2950115 and attr rmsd <= 0.3750115 )                     
     and bondedto ( attr rmsd >= 16.93547 and attr rmsd <= 18.53547 ))
      4.2 4.2 1.8                                                               
      peak 348 ppm1 8.523859 ppm2 0.3350115 volume 1560000 weight 1.0           
REMARK dnoe: 4.212089 position 0.1724644 8.387232                               
ASSI { 349 }                                                                    
     ( attr rmsd >= 8.327231 and attr rmsd <= 8.447232 )                        
     (( attr rmsd >= 0.1324644 and attr rmsd <= 0.2124644 )                     
     and bondedto ( attr rmsd >= 16.97747 and attr rmsd <= 18.57747 ))
      4.2 4.2 1.8                                                               
      peak 349 ppm1 8.387232 ppm2 0.1724644 volume 0.136e+07 weight 1.0         
REMARK dnoe: 3.210937 position 0.3290558 7.708969                               
ASSI { 350 }                                                                    
     ( attr rmsd >= 7.648969 and attr rmsd <= 7.768969 )                        
     (( attr rmsd >= 0.2890558 and attr rmsd <= 0.3690558 )                     
     and bondedto ( attr rmsd >= 16.88494 and attr rmsd <= 18.48494 ))
      3.6 3.6 1.4                                                               
      peak 350 ppm1 7.708969 ppm2 0.3290558 volume 6930000 weight 1.0           
REMARK dnoe: 3.259768 position 0.1716909 7.342759                               
ASSI { 351 }                                                                    
     ( attr rmsd >= 7.282759 and attr rmsd <= 7.402759 )                        
     (( attr rmsd >= 0.1316909 and attr rmsd <= 0.2116909 )                     
     and bondedto ( attr rmsd >= 16.99102 and attr rmsd <= 18.59102 ))
      3.6 3.6 1.4                                                               
      peak 351 ppm1 7.342759 ppm2 0.1716909 volume 6330000 weight 1.0           
REMARK dnoe: 3.133055 position 0.5906968 6.852962                               
ASSI { 352 }                                                                    
     ( attr rmsd >= 6.792962 and attr rmsd <= 6.912962 )                        
     (( attr rmsd >= 0.5506968 and attr rmsd <= 0.6306968 )                     
     and bondedto ( attr rmsd >= 16.72854 and attr rmsd <= 18.32854 ))
      3.6 3.6 1.4                                                               
      peak 352 ppm1 6.852962 ppm2 0.5906968 volume 0.803e+07 weight 1.0         
REMARK dnoe: 3.267558 position 0.5943551 6.718331                               
ASSI { 353 }                                                                    
     ( attr rmsd >= 6.658331 and attr rmsd <= 6.778331 )                        
     (( attr rmsd >= 0.5543551 and attr rmsd <= 0.6343551 )                     
     and bondedto ( attr rmsd >= 16.71060 and attr rmsd <= 18.31060 ))
      3.6 3.6 1.4                                                               
      peak 353 ppm1 6.718331 ppm2 0.5943551 volume 6240000 weight 1.0           
REMARK dnoe: 3.593009 position 0.5961604 6.564819                               
ASSI { 354 }                                                                    
     ( attr rmsd >= 6.504819 and attr rmsd <= 6.624819 )                        
     (( attr rmsd >= 0.5561604 and attr rmsd <= 0.6361604 )                     
     and bondedto ( attr rmsd >= 16.77731 and attr rmsd <= 18.37731 ))
      3.6 3.6 1.4                                                               
      peak 354 ppm1 6.564819 ppm2 0.5961604 volume 0.353e+07 weight 1.0         
REMARK dnoe: 3.776045 position 0.3331823 6.840137                               
ASSI { 355 }                                                                    
     ( attr rmsd >= 6.780137 and attr rmsd <= 6.900137 )                        
     (( attr rmsd >= 0.2931823 and attr rmsd <= 0.3731823 )                     
     and bondedto ( attr rmsd >= 16.81210 and attr rmsd <= 18.41210 ))
      4.2 4.2 1.8                                                               
      peak 355 ppm1 6.840137 ppm2 0.3331823 volume 2620000 weight 1.0           
REMARK dnoe: 3.976831 position 0.3258901 6.682886                               
ASSI { 356 }                                                                    
     ( attr rmsd >= 6.622886 and attr rmsd <= 6.742886 )                        
     (( attr rmsd >= 0.2858901 and attr rmsd <= 0.3658901 )                     
     and bondedto ( attr rmsd >= 16.72941 and attr rmsd <= 18.32941 ))
      4.2 4.2 1.8                                                               
      peak 356 ppm1 6.682886 ppm2 0.3258901 volume 1920000 weight 1.0           
REMARK dnoe: 3.556986 position 0.1670008 6.574335                               
ASSI { 357 }                                                                    
     ( attr rmsd >= 6.514335 and attr rmsd <= 6.634335 )                        
     (( attr rmsd >= 0.1270008 and attr rmsd <= 0.2070008 )                     
     and bondedto ( attr rmsd >= 16.86984 and attr rmsd <= 18.46984 ))
      3.6 3.6 1.4                                                               
      peak 357 ppm1 6.574335 ppm2 0.1670008 volume 3750000 weight 1.0           
REMARK dnoe: 3.700031 position 0.1706357 6.73236                                
ASSI { 358 }                                                                    
     ( attr rmsd >= 6.67236 and attr rmsd <= 6.79236 )                          
     (( attr rmsd >= 0.1306357 and attr rmsd <= 0.2106357 )                     
     and bondedto ( attr rmsd >= 16.86984 and attr rmsd <= 18.46984 ))
      4.2 4.2 1.8                                                               
      peak 358 ppm1 6.73236 ppm2 0.1706357 volume 2960000 weight 1.0            
REMARK dnoe: 3.458254 position 0.1742935 6.876764                               
ASSI { 359 }                                                                    
     ( attr rmsd >= 6.816764 and attr rmsd <= 6.936764 )                        
     (( attr rmsd >= 0.1342935 and attr rmsd <= 0.2142935 )                     
     and bondedto ( attr rmsd >= 16.91665 and attr rmsd <= 18.51665 ))
      3.6 3.6 1.4                                                               
      peak 359 ppm1 6.876764 ppm2 0.1742935 volume 4440000 weight 1.0           
REMARK dnoe: 3.553834 position 0.1724644 7.02699                                
ASSI { 360 }                                                                    
     ( attr rmsd >= 6.96699 and attr rmsd <= 7.08699 )                          
     (( attr rmsd >= 0.1324644 and attr rmsd <= 0.2124644 )                     
     and bondedto ( attr rmsd >= 16.99672 and attr rmsd <= 18.59672 ))
      3.6 3.6 1.4                                                               
      peak 360 ppm1 7.02699 ppm2 0.1724644 volume 3770000 weight 1.0            
REMARK dnoe: 3.31336 position 0.5986929 9.003946                                
ASSI { 361 }                                                                    
     ( attr rmsd >= 8.943946 and attr rmsd <= 9.063947 )                        
     (( attr rmsd >= 0.5586929 and attr rmsd <= 0.6386929 )                     
     and bondedto ( attr rmsd >= 16.77906 and attr rmsd <= 18.37906 ))
      3.6 3.6 1.4                                                               
      peak 361 ppm1 9.003946 ppm2 0.5986929 volume 5740000 weight 1.0           
REMARK dnoe: 3.218725 position 0.7089961 5.644536                               
ASSI { 362 }                                                                    
     ( attr rmsd >= 5.584536 and attr rmsd <= 5.704536 )                        
     (( attr rmsd >= 0.6689961 and attr rmsd <= 0.7489961 )                     
     and bondedto ( attr rmsd >= 16.78191 and attr rmsd <= 18.38191 ))
      3.6 3.6 1.4                                                               
      peak 362 ppm1 5.644536 ppm2 0.7089961 volume 6830001 weight 1.0           
REMARK dnoe: 3.280836 position 0.7117863 5.44997                                
ASSI { 363 }                                                                    
     ( attr rmsd >= 5.38997 and attr rmsd <= 5.50997 )                          
     (( attr rmsd >= 0.6717863 and attr rmsd <= 0.7517864 )                     
     and bondedto ( attr rmsd >= 16.81691 and attr rmsd <= 18.41691 ))
      3.6 3.6 1.4                                                               
      peak 363 ppm1 5.44997 ppm2 0.7117863 volume 6090001 weight 1.0            
REMARK dnoe: 2.658771 position 0.7641237 4.259182                               
ASSI { 364 }                                                                    
     ( attr rmsd >= 4.199182 and attr rmsd <= 4.319182 )                        
     (( attr rmsd >= 0.7241237 and attr rmsd <= 0.8041237 )                     
     and bondedto ( attr rmsd >= 16.91183 and attr rmsd <= 18.51183 ))
      3.0 3.0 0.5999999                                                         
      peak 364 ppm1 4.259182 ppm2 0.7641237 volume 21500000 weight 1.0          
REMARK dnoe: 2.773115 position 0.5954099 4.272264                               
ASSI { 365 }                                                                    
     ( attr rmsd >= 4.212264 and attr rmsd <= 4.332264 )                        
     (( attr rmsd >= 0.5554099 and attr rmsd <= 0.63541 )                       
     and bondedto ( attr rmsd >= 16.73269 and attr rmsd <= 18.33269 ))
      3.0 3.0 0.5999999                                                         
      peak 365 ppm1 4.272264 ppm2 0.5954099 volume 16700000 weight 1.0          
REMARK dnoe: 3.370537 position 0.3393025 4.322512                               
ASSI { 366 }                                                                    
     ( attr rmsd >= 4.262512 and attr rmsd <= 4.382512 )                        
     (( attr rmsd >= 0.2993025 and attr rmsd <= 0.3793025 )                     
     and bondedto ( attr rmsd >= 16.78802 and attr rmsd <= 18.38802 ))
      3.6 3.6 1.4                                                               
      peak 366 ppm1 4.322512 ppm2 0.3393025 volume 5180000 weight 1.0           
REMARK dnoe: 2.845758 position 0.7620835 4.13699                                
ASSI { 367 }                                                                    
     ( attr rmsd >= 4.07699 and attr rmsd <= 4.19699 )                          
     (( attr rmsd >= 0.7220834 and attr rmsd <= 0.8020835 )                     
     and bondedto ( attr rmsd >= 16.94619 and attr rmsd <= 18.54619 ))
      3.0 3.0 0.5999999                                                         
      peak 367 ppm1 4.13699 ppm2 0.7620835 volume 14300001 weight 1.0           
REMARK dnoe: 2.951012 position 0.5893135 4.081716                               
ASSI { 368 }                                                                    
     ( attr rmsd >= 4.021716 and attr rmsd <= 4.141716 )                        
     (( attr rmsd >= 0.5493135 and attr rmsd <= 0.6293135 )                     
     and bondedto ( attr rmsd >= 16.76966 and attr rmsd <= 18.36966 ))
      3.0 3.0 0.5999999                                                         
      peak 368 ppm1 4.081716 ppm2 0.5893135 volume 11500000 weight 1.0          
REMARK dnoe: 2.377061 position 0.6987252 4.737572                               
ASSI { 369 }                                                                    
     ( attr rmsd >= 4.677572 and attr rmsd <= 4.797572 )                        
     (( attr rmsd >= 0.6587252 and attr rmsd <= 0.7387252 )                     
     and bondedto ( attr rmsd >= 16.88122 and attr rmsd <= 18.48122 ))
      2.5 2.5 0.2                                                               
      peak 369 ppm1 4.737572 ppm2 0.6987252 volume 42100000 weight 1.0          
REMARK dnoe: 3.426825 position 0.1766853 4.101007                               
ASSI { 370 }                                                                    
     ( attr rmsd >= 4.041007 and attr rmsd <= 4.161007 )                        
     (( attr rmsd >= 0.1366853 and attr rmsd <= 0.2166853 )                     
     and bondedto ( attr rmsd >= 16.95559 and attr rmsd <= 18.55559 ))
      3.6 3.6 1.4                                                               
      peak 370 ppm1 4.101007 ppm2 0.1766853 volume 4690000 weight 1.0           
REMARK dnoe: 3.656084 position 0.170589 4.251599                                
ASSI { 371 }                                                                    
     ( attr rmsd >= 4.191599 and attr rmsd <= 4.311599 )                        
     (( attr rmsd >= 0.130589 and attr rmsd <= 0.210589 )                       
     and bondedto ( attr rmsd >= 16.95144 and attr rmsd <= 18.55144 ))
      4.2 4.2 1.8                                                               
      peak 371 ppm1 4.251599 ppm2 0.170589 volume 3180000 weight 1.0            
REMARK dnoe: 2.756849 position 0.7641237 3.584615                               
ASSI { 372 }                                                                    
     ( attr rmsd >= 3.524615 and attr rmsd <= 3.644615 )                        
     (( attr rmsd >= 0.7241237 and attr rmsd <= 0.8041237 )                     
     and bondedto ( attr rmsd >= 16.93043 and attr rmsd <= 18.53043 ))
      3.0 3.0 0.5999999                                                         
      peak 372 ppm1 3.584615 ppm2 0.7641237 volume 17300000 weight 1.0          
REMARK dnoe: 2.778689 position 0.5954099 3.790265                               
ASSI { 373 }                                                                    
     ( attr rmsd >= 3.730265 and attr rmsd <= 3.850265 )                        
     (( attr rmsd >= 0.5554099 and attr rmsd <= 0.63541 )                       
     and bondedto ( attr rmsd >= 16.78082 and attr rmsd <= 18.38082 ))
      3.0 3.0 0.5999999                                                         
      peak 373 ppm1 3.790265 ppm2 0.5954099 volume 16500001 weight 1.0          
REMARK dnoe: 2.914185 position 0.5974498 3.532541                               
ASSI { 374 }                                                                    
     ( attr rmsd >= 3.472541 and attr rmsd <= 3.592541 )                        
     (( attr rmsd >= 0.5574498 and attr rmsd <= 0.6374498 )                     
     and bondedto ( attr rmsd >= 16.77293 and attr rmsd <= 18.37293 ))
      3.0 3.0 0.5999999                                                         
      peak 374 ppm1 3.532541 ppm2 0.5974498 volume 12400000 weight 1.0          
REMARK dnoe: 2.880351 position 0.3332062 3.659781                               
ASSI { 375 }                                                                    
     ( attr rmsd >= 3.599781 and attr rmsd <= 3.719781 )                        
     (( attr rmsd >= 0.2932062 and attr rmsd <= 0.3732062 )                     
     and bondedto ( attr rmsd >= 16.92300 and attr rmsd <= 18.52300 ))
      3.0 3.0 0.5999999                                                         
      peak 375 ppm1 3.659781 ppm2 0.3332062 volume 13300000 weight 1.0          
REMARK dnoe: 2.754202 position 0.1726055 3.734926                               
ASSI { 376 }                                                                    
     ( attr rmsd >= 3.674926 and attr rmsd <= 3.794926 )                        
     (( attr rmsd >= 0.1326055 and attr rmsd <= 0.2126055 )                     
     and bondedto ( attr rmsd >= 16.96347 and attr rmsd <= 18.56347 ))
      3.0 3.0 0.5999999                                                         
      peak 376 ppm1 3.734926 ppm2 0.1726055 volume 17400000 weight 1.0          
REMARK dnoe: 2.977485 position 0.3372631 3.757462                               
ASSI { 377 }                                                                    
     ( attr rmsd >= 3.697462 and attr rmsd <= 3.817462 )                        
     (( attr rmsd >= 0.2972631 and attr rmsd <= 0.3772631 )                     
     and bondedto ( attr rmsd >= 16.92300 and attr rmsd <= 18.52300 ))
      3.0 3.0 0.5999999                                                         
      peak 377 ppm1 3.757462 ppm2 0.3372631 volume 10900000 weight 1.0          
REMARK dnoe: 3.176012 position 0.7115049 2.655589                               
ASSI { 378 }                                                                    
     ( attr rmsd >= 2.595589 and attr rmsd <= 2.715589 )                        
     (( attr rmsd >= 0.6715049 and attr rmsd <= 0.7515049 )                     
     and bondedto ( attr rmsd >= 16.87465 and attr rmsd <= 18.47465 ))
      3.6 3.6 1.4                                                               
      peak 378 ppm1 2.655589 ppm2 0.7115049 volume 7400000 weight 1.0           
REMARK dnoe: 3.354539 position 0.7615912 2.755374                               
ASSI { 379 }                                                                    
     ( attr rmsd >= 2.695374 and attr rmsd <= 2.815374 )                        
     (( attr rmsd >= 0.7215912 and attr rmsd <= 0.8015912 )                     
     and bondedto ( attr rmsd >= 16.93021 and attr rmsd <= 18.53021 ))
      3.6 3.6 1.4                                                               
      peak 379 ppm1 2.755374 ppm2 0.7615912 volume 5330000 weight 1.0           
REMARK dnoe: 3.228248 position 0.5940967 2.853505                               
ASSI { 380 }                                                                    
     ( attr rmsd >= 2.793505 and attr rmsd <= 2.913505 )                        
     (( attr rmsd >= 0.5540967 and attr rmsd <= 0.6340967 )                     
     and bondedto ( attr rmsd >= 16.72678 and attr rmsd <= 18.32678 ))
      3.6 3.6 1.4                                                               
      peak 380 ppm1 2.853505 ppm2 0.5940967 volume 6710000 weight 1.0           
REMARK dnoe: 3.031263 position 0.5958319 2.665169                               
ASSI { 381 }                                                                    
     ( attr rmsd >= 2.605169 and attr rmsd <= 2.725169 )                        
     (( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )                     
     and bondedto ( attr rmsd >= 16.72001 and attr rmsd <= 18.32001 ))
      3.6 3.6 1.4                                                               
      peak 381 ppm1 2.665169 ppm2 0.5958319 volume 9790000 weight 1.0           
REMARK dnoe: 3.115209 position 0.5958319 2.510883                               
ASSI { 382 }                                                                    
     ( attr rmsd >= 2.450883 and attr rmsd <= 2.570883 )                        
     (( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )                     
     and bondedto ( attr rmsd >= 16.77469 and attr rmsd <= 18.37469 ))
      3.6 3.6 1.4                                                               
      peak 382 ppm1 2.510883 ppm2 0.5958319 volume 0.831e+07 weight 1.0         
REMARK dnoe: 2.849088 position 0.763303 2.192407                                
ASSI { 383 }                                                                    
     ( attr rmsd >= 2.132407 and attr rmsd <= 2.252407 )                        
     (( attr rmsd >= 0.723303 and attr rmsd <= 0.803303 )                       
     and bondedto ( attr rmsd >= 16.86262 and attr rmsd <= 18.46262 ))
      3.0 3.0 0.5999999                                                         
      peak 383 ppm1 2.192407 ppm2 0.763303 volume 14200000 weight 1.0           
REMARK dnoe: 2.125792 position 0.7615912 1.721192                               
ASSI { 384 }                                                                    
     ( attr rmsd >= 1.661192 and attr rmsd <= 1.781192 )                        
     (( attr rmsd >= 0.7215912 and attr rmsd <= 0.8015912 )                     
     and bondedto ( attr rmsd >= 16.91183 and attr rmsd <= 18.51183 ))
      2.5 2.5 0.2                                                               
      peak 384 ppm1 1.721192 ppm2 0.7615912 volume 82300000 weight 1.0          
REMARK dnoe: 2.341372 position 0.7615912 1.27264                                
ASSI { 385 }                                                                    
     ( attr rmsd >= 1.21264 and attr rmsd <= 1.33264 )                          
     (( attr rmsd >= 0.7215912 and attr rmsd <= 0.8015912 )                     
     and bondedto ( attr rmsd >= 16.88734 and attr rmsd <= 18.48734 ))
      2.5 2.5 0.2                                                               
      peak 385 ppm1 1.27264 ppm2 0.7615912 volume 46100000 weight 1.0           
REMARK dnoe: 2.386604 position 0.701164 1.928969                                
ASSI { 386 }                                                                    
     ( attr rmsd >= 1.868969 and attr rmsd <= 1.988969 )                        
     (( attr rmsd >= 0.661164 and attr rmsd <= 0.741164 )                       
     and bondedto ( attr rmsd >= 16.93240 and attr rmsd <= 18.53240 ))
      2.5 2.5 0.2                                                               
      peak 386 ppm1 1.928969 ppm2 0.701164 volume 41100000 weight 1.0           
REMARK dnoe: 2.308359 position 0.701164 1.642351                                
ASSI { 387 }                                                                    
     ( attr rmsd >= 1.582351 and attr rmsd <= 1.702351 )                        
     (( attr rmsd >= 0.661164 and attr rmsd <= 0.741164 )                       
     and bondedto ( attr rmsd >= 16.89784 and attr rmsd <= 18.49784 ))
      2.5 2.5 0.2                                                               
      peak 387 ppm1 1.642351 ppm2 0.701164 volume 50199996 weight 1.0           
REMARK dnoe: 2.344775 position 0.7097933 1.382737                               
ASSI { 388 }                                                                    
     ( attr rmsd >= 1.322737 and attr rmsd <= 1.442737 )                        
     (( attr rmsd >= 0.6697933 and attr rmsd <= 0.7497934 )                     
     and bondedto ( attr rmsd >= 16.90353 and attr rmsd <= 18.50353 ))
      2.5 2.5 0.2                                                               
      peak 388 ppm1 1.382737 ppm2 0.7097933 volume 45700000 weight 1.0          
REMARK dnoe: 3.99081 position 0.5950584 2.108154                                
ASSI { 389 }                                                                    
     ( attr rmsd >= 2.048154 and attr rmsd <= 2.168154 )                        
     (( attr rmsd >= 0.5550584 and attr rmsd <= 0.6350584 )                     
     and bondedto ( attr rmsd >= 16.78169 and attr rmsd <= 18.38169 ))
      4.2 4.2 1.8                                                               
      peak 389 ppm1 2.108154 ppm2 0.5950584 volume 0.188e+07 weight 1.0         
REMARK dnoe: 3.196495 position 0.5958319 1.975908                               
ASSI { 390 }                                                                    
     ( attr rmsd >= 1.915908 and attr rmsd <= 2.035908 )                        
     (( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )                     
     and bondedto ( attr rmsd >= 16.81582 and attr rmsd <= 18.41582 ))
      3.6 3.6 1.4                                                               
      peak 390 ppm1 1.975908 ppm2 0.5958319 volume 7120000 weight 1.0           
REMARK dnoe: 2.356966 position 0.5958319 1.67174                                
ASSI { 391 }                                                                    
     ( attr rmsd >= 1.61174 and attr rmsd <= 1.73174 )                          
     (( attr rmsd >= 0.5558318 and attr rmsd <= 0.6358319 )                     
     and bondedto ( attr rmsd >= 16.73597 and attr rmsd <= 18.33597 ))
      2.5 2.5 0.2                                                               
      peak 391 ppm1 1.67174 ppm2 0.5958319 volume 44300000 weight 1.0           
REMARK dnoe: 2.599749 position 0.5975437 1.416658                               
ASSI { 392 }                                                                    
     ( attr rmsd >= 1.356658 and attr rmsd <= 1.476658 )                        
     (( attr rmsd >= 0.5575437 and attr rmsd <= 0.6375437 )                     
     and bondedto ( attr rmsd >= 16.76002 and attr rmsd <= 18.36002 ))
      3.0 3.0 0.5999999                                                         
      peak 392 ppm1 1.416658 ppm2 0.5975437 volume 24600000 weight 1.0          
REMARK dnoe: 2.964042 position 0.5958319 1.246561                               
ASSI { 394 }                                                                    
     ( attr rmsd >= 1.564822 and attr rmsd <= 1.684822 )                        
     (( attr rmsd >= 0.2968173 and attr rmsd <= 0.3768173 )                     
     and bondedto ( attr rmsd >= 16.82281 and attr rmsd <= 18.42281 ))
      3.0 3.0 0.5999999                                                         
      peak 394 ppm1 1.624822 ppm2 0.3368173 volume 22800000 weight 1.0          
REMARK dnoe: 3.024097 position 0.3368173 1.264434                               
ASSI { 395 }                                                                    
     ( attr rmsd >= 1.204434 and attr rmsd <= 1.324434 )                        
     (( attr rmsd >= 0.2968173 and attr rmsd <= 0.3768173 )                     
     and bondedto ( attr rmsd >= 16.77513 and attr rmsd <= 18.37513 ))
      3.6 3.6 1.4                                                               
      peak 395 ppm1 1.264434 ppm2 0.3368173 volume 9930000 weight 1.0           
REMARK dnoe: 2.640661 position 0.1727929 1.194036                               
ASSI { 396 }                                                                    
     ( attr rmsd >= 1.134036 and attr rmsd <= 1.254036 )                        
     (( attr rmsd >= 0.1327929 and attr rmsd <= 0.2127929 )                     
     and bondedto ( attr rmsd >= 16.95515 and attr rmsd <= 18.55515 ))
      3.0 3.0 0.5999999                                                         
      peak 396 ppm1 1.194036 ppm2 0.1727929 volume 22400000 weight 1.0          
REMARK dnoe: 2.895048 position 0.1704478 1.593844                               
ASSI { 398 }                                                                    
     ( attr rmsd >= 1.704328 and attr rmsd <= 1.824328 )                        
     (( attr rmsd >= 0.1327929 and attr rmsd <= 0.2127929 )                     
     and bondedto ( attr rmsd >= 16.91709 and attr rmsd <= 18.51709 ))
      3.0 3.0 0.5999999                                                         
      peak 398 ppm1 1.764328 ppm2 0.1727929 volume 11000000 weight 1.0          
REMARK dnoe: 2.137643 position 0.7097933 1.749613                               
ASSI { 399 }                                                                    
     ( attr rmsd >= 1.689613 and attr rmsd <= 1.809613 )                        
     (( attr rmsd >= 0.6697933 and attr rmsd <= 0.7497934 )                     
     and bondedto ( attr rmsd >= 16.93612 and attr rmsd <= 18.53612 ))
      2.5 2.5 0.2                                                               
      peak 399 ppm1 1.749613 ppm2 0.7097933 volume 79600000 weight 1.0          
REMARK dnoe: 2.20937 position 0.7035789 1.034895                                
ASSI { 400 }                                                                    
     ( attr rmsd >= 0.9748949 and attr rmsd <= 1.094895 )                       
     (( attr rmsd >= 0.6635789 and attr rmsd <= 0.7435789 )                     
     and bondedto ( attr rmsd >= 16.81231 and attr rmsd <= 18.41231 ))
      2.5 2.5 0.2                                                               
      peak 400 ppm1 1.034895 ppm2 0.7035789 volume 65300000 weight 1.0          
REMARK dnoe: 2.500118 position 0.5938625 0.9652705                              
ASSI { 401 }                                                                    
     ( attr rmsd >= 0.9052705 and attr rmsd <= 1.02527 )                        
     (( attr rmsd >= 0.5538625 and attr rmsd <= 0.6338625 )                     
     and bondedto ( attr rmsd >= 16.73444 and attr rmsd <= 18.33444 ))
      3.0 3.0 0.5999999                                                         
      peak 401 ppm1 0.9652705 ppm2 0.5938625 volume 31099998 weight 1.0         
REMARK dnoe: 2.368695 position 0.5955744 0.2754507                              
ASSI { 402 }                                                                    
     ( attr rmsd >= 0.2154507 and attr rmsd <= 0.3354507 )                      
     (( attr rmsd >= 0.5555744 and attr rmsd <= 0.6355744 )                     
     and bondedto ( attr rmsd >= 16.73510 and attr rmsd <= 18.33510 ))
      2.5 2.5 0.2                                                               
      peak 402 ppm1 0.2754507 ppm2 0.5955744 volume 43000000 weight 1.0         
REMARK dnoe: 2.855832 position 0.3350115 0.9731762                              
ASSI { 404 }                                                                    
     ( attr rmsd >= 0.9131762 and attr rmsd <= 1.033176 )                       
     (( attr rmsd >= 0.2950115 and attr rmsd <= 0.3750115 )                     
     and bondedto ( attr rmsd >= 16.77906 and attr rmsd <= 18.37906 ))
      3.0 3.0 0.5999999                                                         
      peak 404 ppm1 0.9731762 ppm2 0.3350115 volume 14000000 weight 1.0         
REMARK dnoe: 2.458447 position 0.3367233 0.6630783                              
ASSI { 405 }                                                                    
     ( attr rmsd >= 0.6030783 and attr rmsd <= 0.7230783 )                      
     (( attr rmsd >= 0.2967233 and attr rmsd <= 0.3767233 )                     
     and bondedto ( attr rmsd >= 16.77382 and attr rmsd <= 18.37382 ))
      2.5 2.5 0.2                                                               
      peak 405 ppm1 0.6630783 ppm2 0.3367233 volume 34400000 weight 1.0         
REMARK dnoe: 2.489558 position 0.1738715 1.047247                               
ASSI { 406 }                                                                    
     ( attr rmsd >= 0.987247 and attr rmsd <= 1.107247 )                        
     (( attr rmsd >= 0.1338715 and attr rmsd <= 0.2138715 )                     
     and bondedto ( attr rmsd >= 16.95492 and attr rmsd <= 18.55492 ))
      2.5 2.5 0.2                                                               
      peak 406 ppm1 1.047247 ppm2 0.1738715 volume 31900000 weight 1.0          
REMARK dnoe: 3.170325 position 0.1755834 0.8641319                              
ASSI { 407 }                                                                    
     ( attr rmsd >= 0.8041319 and attr rmsd <= 0.9241319 )                      
     (( attr rmsd >= 0.1355834 and attr rmsd <= 0.2155834 )                     
     and bondedto ( attr rmsd >= 16.90178 and attr rmsd <= 18.50178 ))
      3.6 3.6 1.4                                                               
      peak 407 ppm1 0.8641319 ppm2 0.1755834 volume 7480001 weight 1.0          
REMARK dnoe: 2.58762 position 0.1653128 -0.1897063                              
ASSI { 408 }                                                                    
     ( attr rmsd >= -0.2497063 and attr rmsd <= -0.1297063 )                    
     (( attr rmsd >= 0.1253128 and attr rmsd <= 0.2053128 )                     
     and bondedto ( attr rmsd >= 16.95492 and attr rmsd <= 18.55492 ))
      3.0 3.0 0.5999999                                                         
      peak 408 ppm1 -0.1897063 ppm2 0.1653128 volume 25300000 weight 1.0        
REMARK dnoe: 2.367779 position 0.1721597 0.416676                               
ASSI { 410 }                                                                    
     ( attr rmsd >= -0.0424018 and attr rmsd <= 0.0775982 )                     
     (( attr rmsd >= 0.1309638 and attr rmsd <= 0.2109638 )                     
     and bondedto ( attr rmsd >= 16.95492 and attr rmsd <= 18.55492 ))
      2.5 2.5 0.2                                                               
      peak 410 ppm1 0.0175982 ppm2 0.1709638 volume 128000008 weight 1.0        
REMARK dnoe: 2.26735 position 0.7670083 1.064326                                
ASSI { 411 }                                                                    
     ( attr rmsd >= 1.004326 and attr rmsd <= 1.124326 )                        
     (( attr rmsd >= 0.7270083 and attr rmsd <= 0.8070083 )                     
     and bondedto ( attr rmsd >= 16.93655 and attr rmsd <= 18.53655 ))
      2.5 2.5 0.2                                                               
      peak 411 ppm1 1.064326 ppm2 0.7670083 volume 55900000 weight 1.0          
REMARK dnoe: 3.31144 position 1.275753 6.678868                                 
ASSI { 412 }                                                                    
     ( attr rmsd >= 6.618868 and attr rmsd <= 6.738868 )                        
     (( attr rmsd >= 1.235753 and attr rmsd <= 1.315753 )                       
     and bondedto ( attr rmsd >= 44.74325 and attr rmsd <= 46.34325 ))
      3.6 3.6 1.4                                                               
      peak 412 ppm1 6.678868 ppm2 1.275753 volume 5760000 weight 1.0            
REMARK dnoe: 3.231467 position 2.031882 6.699965                                
ASSI { 413 }                                                                    
     ( attr rmsd >= 6.639965 and attr rmsd <= 6.759965 )                        
     (( attr rmsd >= 1.991882 and attr rmsd <= 2.071882 )                       
     and bondedto ( attr rmsd >= 44.74128 and attr rmsd <= 46.34128 ))
      3.6 3.6 1.4                                                               
      peak 413 ppm1 6.699965 ppm2 2.031882 volume 6670000 weight 1.0            
REMARK dnoe: 2.184966 position 4.039401 3.671446                                
ASSI { 414 }                                                                    
     ( attr rmsd >= 3.611446 and attr rmsd <= 3.731446 )                        
     (( attr rmsd >= 3.999401 and attr rmsd <= 4.079401 )                       
     and bondedto ( attr rmsd >= 43.56138 and attr rmsd <= 45.16138 ))
      2.5 2.5 0.2                                                               
      peak 414 ppm1 3.671446 ppm2 4.039401 volume 69800000 weight 1.0           
REMARK dnoe: 2.207683 position 3.68849 4.034219                                 
ASSI { 415 }                                                                    
     ( attr rmsd >= 3.974219 and attr rmsd <= 4.094219 )                        
     (( attr rmsd >= 3.64849 and attr rmsd <= 3.72849 )                         
     and bondedto ( attr rmsd >= 43.60688 and attr rmsd <= 45.20688 ))
      2.5 2.5 0.2                                                               
      peak 415 ppm1 4.034219 ppm2 3.68849 volume 65600000 weight 1.0            
REMARK dnoe: 3.281734 position 4.040926 8.073524                                
ASSI { 416 }                                                                    
     ( attr rmsd >= 8.013524 and attr rmsd <= 8.133525 )                        
     (( attr rmsd >= 4.000926 and attr rmsd <= 4.080926 )                       
     and bondedto ( attr rmsd >= 43.59419 and attr rmsd <= 45.19419 ))
      3.6 3.6 1.4                                                               
      peak 416 ppm1 8.073524 ppm2 4.040926 volume 6080000 weight 1.0            
REMARK dnoe: 3.170325 position 3.684082 8.073095                                
ASSI { 417 }                                                                    
     ( attr rmsd >= 8.013095 and attr rmsd <= 8.133096 )                        
     (( attr rmsd >= 3.644082 and attr rmsd <= 3.724082 )                       
     and bondedto ( attr rmsd >= 43.61191 and attr rmsd <= 45.21191 ))
      3.6 3.6 1.4                                                               
      peak 417 ppm1 8.073095 ppm2 3.684082 volume 7480001 weight 1.0            
REMARK dnoe: 3.166106 position 3.673413 7.878938                                
ASSI { 418 }                                                                    
     ( attr rmsd >= 7.818938 and attr rmsd <= 7.938938 )                        
     (( attr rmsd >= 3.633413 and attr rmsd <= 3.713413 )                       
     and bondedto ( attr rmsd >= 43.60841 and attr rmsd <= 45.20841 ))
      3.6 3.6 1.4                                                               
      peak 418 ppm1 7.878938 ppm2 3.673413 volume 7540000 weight 1.0            
REMARK dnoe: 3.24126 position 4.041769 7.878615                                 
ASSI { 419 }                                                                    
     ( attr rmsd >= 7.818615 and attr rmsd <= 7.938615 )                        
     (( attr rmsd >= 4.001769 and attr rmsd <= 4.081769 )                       
     and bondedto ( attr rmsd >= 43.61256 and attr rmsd <= 45.21256 ))
      3.6 3.6 1.4                                                               
      peak 419 ppm1 7.878615 ppm2 4.041769 volume 0.655e+07 weight 1.0          
REMARK dnoe: 3.301954 position 4.043012 1.630794                                
ASSI { 420 }                                                                    
     ( attr rmsd >= 1.570794 and attr rmsd <= 1.690794 )                        
     (( attr rmsd >= 4.003012 and attr rmsd <= 4.083012 )                       
     and bondedto ( attr rmsd >= 43.63422 and attr rmsd <= 45.23422 ))
      3.6 3.6 1.4                                                               
      peak 420 ppm1 1.630794 ppm2 4.043012 volume 5860001 weight 1.0            
REMARK dnoe: 3.419572 position 3.676367 1.630794                                
ASSI { 421 }                                                                    
     ( attr rmsd >= 1.570794 and attr rmsd <= 1.690794 )                        
     (( attr rmsd >= 3.636367 and attr rmsd <= 3.716367 )                       
     and bondedto ( attr rmsd >= 43.63859 and attr rmsd <= 45.23859 ))
      3.6 3.6 1.4                                                               
      peak 421 ppm1 1.630794 ppm2 3.676367 volume 4750000 weight 1.0            
REMARK dnoe: 3.310483 position 3.691445 0.7722085                               
ASSI { 422 }                                                                    
     ( attr rmsd >= 0.7122085 and attr rmsd <= 0.8322085 )                      
     (( attr rmsd >= 3.651445 and attr rmsd <= 3.731445 )                       
     and bondedto ( attr rmsd >= 43.59660 and attr rmsd <= 45.19660 ))
      3.6 3.6 1.4                                                               
      peak 422 ppm1 0.7722085 ppm2 3.691445 volume 5770000 weight 1.0           
REMARK dnoe: 3.549142 position 4.030467 0.7304468                               
ASSI { 423 }                                                                    
     ( attr rmsd >= 0.6704468 and attr rmsd <= 0.7904468 )                      
     (( attr rmsd >= 3.990467 and attr rmsd <= 4.070467 )                       
     and bondedto ( attr rmsd >= 43.60272 and attr rmsd <= 45.20272 ))
      3.6 3.6 1.4                                                               
      peak 423 ppm1 0.7304468 ppm2 4.030467 volume 3800000 weight 1.0           
REMARK dnoe: 2.484393 position 5.873095 9.211424                                
ASSI { 424 }                                                                    
     ( attr rmsd >= 9.151423 and attr rmsd <= 9.271424 )                        
     (( attr rmsd >= 5.833095 and attr rmsd <= 5.913095 )                       
     and bondedto ( attr rmsd >= 42.94889 and attr rmsd <= 44.54889 ))
      2.5 2.5 0.2                                                               
      peak 424 ppm1 9.211424 ppm2 5.873095 volume 32300002 weight 1.0           
REMARK dnoe: 2.500118 position 3.012017 9.221004                                
ASSI { 425 }                                                                    
     ( attr rmsd >= 9.161003 and attr rmsd <= 9.281004 )                        
     (( attr rmsd >= 2.972017 and attr rmsd <= 3.052017 )                       
     and bondedto ( attr rmsd >= 42.87934 and attr rmsd <= 44.47934 ))
      3.0 3.0 0.5999999                                                         
      peak 425 ppm1 9.221004 ppm2 3.012017 volume 31099998 weight 1.0           
REMARK dnoe: 2.453715 position 3.011688 5.872421                                
ASSI { 427 }                                                                    
     ( attr rmsd >= 5.812421 and attr rmsd <= 5.932421 )                        
     (( attr rmsd >= 2.971688 and attr rmsd <= 3.051688 )                       
     and bondedto ( attr rmsd >= 42.87934 and attr rmsd <= 44.47934 ))
      2.5 2.5 0.2                                                               
      peak 427 ppm1 5.872421 ppm2 3.011688 volume 34800000 weight 1.0           
REMARK dnoe: 2.910286 position 5.873869 6.602284                                
ASSI { 428 }                                                                    
     ( attr rmsd >= 6.542284 and attr rmsd <= 6.662284 )                        
     (( attr rmsd >= 5.833869 and attr rmsd <= 5.913869 )                       
     and bondedto ( attr rmsd >= 42.83383 and attr rmsd <= 44.43383 ))
      3.0 3.0 0.5999999                                                         
      peak 428 ppm1 6.602284 ppm2 5.873869 volume 12500000 weight 1.0           
REMARK dnoe: 2.942544 position 3.015323 6.606709                                
ASSI { 429 }                                                                    
     ( attr rmsd >= 6.546709 and attr rmsd <= 6.666709 )                        
     (( attr rmsd >= 2.975323 and attr rmsd <= 3.055323 )                       
     and bondedto ( attr rmsd >= 42.92483 and attr rmsd <= 44.52483 ))
      3.0 3.0 0.5999999                                                         
      peak 429 ppm1 6.606709 ppm2 3.015323 volume 11700000 weight 1.0           
REMARK dnoe: 2.721325 position 3.015323 6.75932                                 
ASSI { 430 }                                                                    
     ( attr rmsd >= 6.69932 and attr rmsd <= 6.81932 )                          
     (( attr rmsd >= 2.975323 and attr rmsd <= 3.055323 )                       
     and bondedto ( attr rmsd >= 42.92483 and attr rmsd <= 44.52483 ))
      3.0 3.0 0.5999999                                                         
      peak 430 ppm1 6.75932 ppm2 3.015323 volume 18700000 weight 1.0            
REMARK dnoe: 2.702391 position 5.877714 6.772596                                
ASSI { 431 }                                                                    
     ( attr rmsd >= 6.712596 and attr rmsd <= 6.832596 )                        
     (( attr rmsd >= 5.837714 and attr rmsd <= 5.917714 )                       
     and bondedto ( attr rmsd >= 42.90208 and attr rmsd <= 44.50208 ))
      3.0 3.0 0.5999999                                                         
      peak 431 ppm1 6.772596 ppm2 5.877714 volume 19500000 weight 1.0           
REMARK dnoe: 2.910286 position 5.877714 6.905293                                
ASSI { 432 }                                                                    
     ( attr rmsd >= 6.845293 and attr rmsd <= 6.965293 )                        
     (( attr rmsd >= 5.837714 and attr rmsd <= 5.917714 )                       
     and bondedto ( attr rmsd >= 42.85659 and attr rmsd <= 44.45659 ))
      3.0 3.0 0.5999999                                                         
      peak 432 ppm1 6.905293 ppm2 5.877714 volume 12500000 weight 1.0           
REMARK dnoe: 2.709383 position 3.015323 6.878762                                
ASSI { 433 }                                                                    
     ( attr rmsd >= 6.818762 and attr rmsd <= 6.938762 )                        
     (( attr rmsd >= 2.975323 and attr rmsd <= 3.055323 )                       
     and bondedto ( attr rmsd >= 42.85659 and attr rmsd <= 44.45659 ))
      3.0 3.0 0.5999999                                                         
      peak 433 ppm1 6.878762 ppm2 3.015323 volume 19200000 weight 1.0           
REMARK dnoe: 2.723758 position 5.873798 3.003452                                
ASSI { 434 }                                                                    
     ( attr rmsd >= 2.943452 and attr rmsd <= 3.063452 )                        
     (( attr rmsd >= 5.833798 and attr rmsd <= 5.913798 )                       
     and bondedto ( attr rmsd >= 42.95327 and attr rmsd <= 44.55327 ))
      3.0 3.0 0.5999999                                                         
      peak 434 ppm1 3.003452 ppm2 5.873798 volume 18600000 weight 1.0           
REMARK dnoe: 3.1266 position 3.203547 0.7319081                                 
ASSI { 435 }                                                                    
     ( attr rmsd >= 0.6719081 and attr rmsd <= 0.7919081 )                      
     (( attr rmsd >= 3.163547 and attr rmsd <= 3.243547 )                       
     and bondedto ( attr rmsd >= 42.71375 and attr rmsd <= 44.31375 ))
      3.6 3.6 1.4                                                               
      peak 435 ppm1 0.7319081 ppm2 3.203547 volume 8130000 weight 1.0           
REMARK dnoe: 2.759514 position 2.659652 0.6495876                               
ASSI { 436 }                                                                    
     ( attr rmsd >= 0.5895876 and attr rmsd <= 0.7095876 )                      
     (( attr rmsd >= 2.619652 and attr rmsd <= 2.699652 )                       
     and bondedto ( attr rmsd >= 42.67481 and attr rmsd <= 44.27481 ))
      3.0 3.0 0.5999999                                                         
      peak 436 ppm1 0.6495876 ppm2 2.659652 volume 17200000 weight 1.0          
REMARK dnoe: 2.553459 position 2.477221 0.6672893                               
ASSI { 437 }                                                                    
     ( attr rmsd >= 0.6072893 and attr rmsd <= 0.7272893 )                      
     (( attr rmsd >= 2.437221 and attr rmsd <= 2.517221 )                       
     and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
      3.0 3.0 0.5999999                                                         
      peak 437 ppm1 0.6672893 ppm2 2.477221 volume 27399998 weight 1.0          
REMARK dnoe: 2.392461 position 3.201623 1.501019                                
ASSI { 439 }                                                                    
     ( attr rmsd >= 1.441019 and attr rmsd <= 1.561019 )                        
     (( attr rmsd >= 3.161623 and attr rmsd <= 3.241623 )                       
     and bondedto ( attr rmsd >= 42.68028 and attr rmsd <= 44.28028 ))
      2.5 2.5 0.2                                                               
      peak 439 ppm1 1.501019 ppm2 3.201623 volume 40500000 weight 1.0           
REMARK dnoe: 2.121517 position 3.197426 1.649914                                
ASSI { 440 }                                                                    
     ( attr rmsd >= 1.589914 and attr rmsd <= 1.709914 )                        
     (( attr rmsd >= 3.157426 and attr rmsd <= 3.237426 )                       
     and bondedto ( attr rmsd >= 42.69559 and attr rmsd <= 44.29559 ))
      2.5 2.5 0.2                                                               
      peak 440 ppm1 1.649914 ppm2 3.197426 volume 83300000 weight 1.0           
REMARK dnoe: 2.364136 position 3.204766 1.769184                                
ASSI { 441 }                                                                    
     ( attr rmsd >= 1.709184 and attr rmsd <= 1.829184 )                        
     (( attr rmsd >= 3.164766 and attr rmsd <= 3.244766 )                       
     and bondedto ( attr rmsd >= 42.62931 and attr rmsd <= 44.22931 ))
      2.5 2.5 0.2                                                               
      peak 441 ppm1 1.769184 ppm2 3.204766 volume 43500000 weight 1.0           
REMARK dnoe: 2.632883 position 3.202397 2.035565                                
ASSI { 442 }                                                                    
     ( attr rmsd >= 1.975565 and attr rmsd <= 2.095565 )                        
     (( attr rmsd >= 3.162397 and attr rmsd <= 3.242397 )                       
     and bondedto ( attr rmsd >= 42.67831 and attr rmsd <= 44.27831 ))
      3.0 3.0 0.5999999                                                         
      peak 442 ppm1 2.035565 ppm2 3.202397 volume 22800000 weight 1.0           
REMARK dnoe: 2.188112 position 3.154468 1.758657                                
ASSI { 443 }                                                                    
     ( attr rmsd >= 1.698657 and attr rmsd <= 1.818657 )                        
     (( attr rmsd >= 3.114468 and attr rmsd <= 3.194468 )                       
     and bondedto ( attr rmsd >= 42.71068 and attr rmsd <= 44.31068 ))
      2.5 2.5 0.2                                                               
      peak 443 ppm1 1.758657 ppm2 3.154468 volume 69200000 weight 1.0           
REMARK dnoe: 2.236433 position 3.105249 1.544521                                
ASSI { 444 }                                                                    
     ( attr rmsd >= 1.484521 and attr rmsd <= 1.604521 )                        
     (( attr rmsd >= 3.065249 and attr rmsd <= 3.145249 )                       
     and bondedto ( attr rmsd >= 42.68487 and attr rmsd <= 44.28487 ))
      2.5 2.5 0.2                                                               
      peak 444 ppm1 1.544521 ppm2 3.105249 volume 60700000 weight 1.0           
REMARK dnoe: 2.693261 position 3.111533 1.795736                                
ASSI { 445 }                                                                    
     ( attr rmsd >= 1.735736 and attr rmsd <= 1.855736 )                        
     (( attr rmsd >= 3.071533 and attr rmsd <= 3.151533 )                       
     and bondedto ( attr rmsd >= 42.67481 and attr rmsd <= 44.27481 ))
      3.0 3.0 0.5999999                                                         
      peak 445 ppm1 1.795736 ppm2 3.111533 volume 19900000 weight 1.0           
REMARK dnoe: 2.473039 position 2.652781 1.406303                                
ASSI { 446 }                                                                    
     ( attr rmsd >= 1.346303 and attr rmsd <= 1.466303 )                        
     (( attr rmsd >= 2.612781 and attr rmsd <= 2.692781 )                       
     and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
      2.5 2.5 0.2                                                               
      peak 446 ppm1 1.406303 ppm2 2.652781 volume 33199998 weight 1.0           
REMARK dnoe: 2.792977 position 2.655854 1.747056                                
ASSI { 447 }                                                                    
     ( attr rmsd >= 1.687056 and attr rmsd <= 1.807056 )                        
     (( attr rmsd >= 2.615854 and attr rmsd <= 2.695854 )                       
     and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
      3.0 3.0 0.5999999                                                         
      peak 447 ppm1 1.747056 ppm2 2.655854 volume 16000000 weight 1.0           
REMARK dnoe: 3.137631 position 2.664225 1.890881                                
ASSI { 448 }                                                                    
     ( attr rmsd >= 1.830881 and attr rmsd <= 1.950881 )                        
     (( attr rmsd >= 2.624225 and attr rmsd <= 2.704225 )                       
     and bondedto ( attr rmsd >= 42.69756 and attr rmsd <= 44.29756 ))
      3.6 3.6 1.4                                                               
      peak 448 ppm1 1.890881 ppm2 2.664225 volume 7960000 weight 1.0            
REMARK dnoe: 3.152322 position 2.47776 1.910795                                 
ASSI { 449 }                                                                    
     ( attr rmsd >= 1.850795 and attr rmsd <= 1.970795 )                        
     (( attr rmsd >= 2.43776 and attr rmsd <= 2.51776 )                         
     and bondedto ( attr rmsd >= 42.65206 and attr rmsd <= 44.25206 ))
      3.6 3.6 1.4                                                               
      peak 449 ppm1 1.910795 ppm2 2.47776 volume 7740000 weight 1.0             
REMARK dnoe: 2.839178 position 2.478815 1.740418                                
ASSI { 450 }                                                                    
     ( attr rmsd >= 1.680418 and attr rmsd <= 1.800418 )                        
     (( attr rmsd >= 2.438815 and attr rmsd <= 2.518815 )                       
     and bondedto ( attr rmsd >= 42.67481 and attr rmsd <= 44.27481 ))
      3.0 3.0 0.5999999                                                         
      peak 450 ppm1 1.740418 ppm2 2.478815 volume 14500000 weight 1.0           
REMARK dnoe: 2.47804 position 2.477221 1.399665                                 
ASSI { 451 }                                                                    
     ( attr rmsd >= 1.339665 and attr rmsd <= 1.459665 )                        
     (( attr rmsd >= 2.437221 and attr rmsd <= 2.517221 )                       
     and bondedto ( attr rmsd >= 42.62931 and attr rmsd <= 44.22931 ))
      2.5 2.5 0.2                                                               
      peak 451 ppm1 1.399665 ppm2 2.477221 volume 32800000 weight 1.0           
REMARK dnoe: 2.062028 position 2.656229 2.46925                                 
ASSI { 452 }                                                                    
     ( attr rmsd >= 2.40925 and attr rmsd <= 2.52925 )                          
     (( attr rmsd >= 2.616229 and attr rmsd <= 2.696229 )                       
     and bondedto ( attr rmsd >= 42.70653 and attr rmsd <= 44.30653 ))
      2.5 2.5 0.2                                                               
      peak 452 ppm1 2.46925 ppm2 2.656229 volume 98800000 weight 1.0            
REMARK dnoe: 2.016389 position 2.477221 2.641067                                
ASSI { 453 }                                                                    
     ( attr rmsd >= 2.581067 and attr rmsd <= 2.701067 )                        
     (( attr rmsd >= 2.437221 and attr rmsd <= 2.517221 )                       
     and bondedto ( attr rmsd >= 42.69625 and attr rmsd <= 44.29625 ))
      2.5 2.5 0.2                                                               
      peak 453 ppm1 2.641067 ppm2 2.477221 volume 113000000 weight 1.0          
REMARK dnoe: 2.19938 position 3.153437 1.628646                                 
ASSI { 458 }                                                                    
     ( attr rmsd >= 1.568646 and attr rmsd <= 1.688646 )                        
     (( attr rmsd >= 3.113437 and attr rmsd <= 3.193437 )                       
     and bondedto ( attr rmsd >= 42.71418 and attr rmsd <= 44.31418 ))
      2.5 2.5 0.2                                                               
      peak 458 ppm1 1.628646 ppm2 3.153437 volume 67100000 weight 1.0           
REMARK dnoe: 2.25868 position 3.110689 1.659387                                 
ASSI { 459 }                                                                    
     ( attr rmsd >= 1.599387 and attr rmsd <= 1.719387 )                        
     (( attr rmsd >= 3.070689 and attr rmsd <= 3.150689 )                       
     and bondedto ( attr rmsd >= 42.71418 and attr rmsd <= 44.31418 ))
      2.5 2.5 0.2                                                               
      peak 459 ppm1 1.659387 ppm2 3.110689 volume 57200004 weight 1.0           
REMARK dnoe: 3.447976 position 1.918694 0.2782869                               
ASSI { 460 }                                                                    
     ( attr rmsd >= 0.2182869 and attr rmsd <= 0.3382869 )                      
     (( attr rmsd >= 1.878694 and attr rmsd <= 1.958694 )                       
     and bondedto ( attr rmsd >= 42.31104 and attr rmsd <= 43.91104 ))
      3.6 3.6 1.4                                                               
      peak 460 ppm1 0.2782869 ppm2 1.918694 volume 4520000 weight 1.0           
REMARK dnoe: 3.421978 position 0.7818277 0.2782869                              
ASSI { 461 }                                                                    
     ( attr rmsd >= 0.2182869 and attr rmsd <= 0.3382869 )                      
     (( attr rmsd >= 0.7418277 and attr rmsd <= 0.8218277 )                     
     and bondedto ( attr rmsd >= 42.31104 and attr rmsd <= 43.91104 ))
      3.6 3.6 1.4                                                               
      peak 461 ppm1 0.2782869 ppm2 0.7818277 volume 4730000 weight 1.0          
REMARK dnoe: 2.444438 position 1.913465 0.7689004                               
ASSI { 462 }                                                                    
     ( attr rmsd >= 0.7089004 and attr rmsd <= 0.8289004 )                      
     (( attr rmsd >= 1.873465 and attr rmsd <= 1.953465 )                       
     and bondedto ( attr rmsd >= 42.28916 and attr rmsd <= 43.88916 ))
      2.5 2.5 0.2                                                               
      peak 462 ppm1 0.7689004 ppm2 1.913465 volume 35600000 weight 1.0          
REMARK dnoe: 2.762197 position 0.7844539 1.908389                               
ASSI { 463 }                                                                    
     ( attr rmsd >= 1.848389 and attr rmsd <= 1.968389 )                        
     (( attr rmsd >= 0.7444539 and attr rmsd <= 0.8244539 )                     
     and bondedto ( attr rmsd >= 42.28523 and attr rmsd <= 43.88523 ))
      3.0 3.0 0.5999999                                                         
      peak 463 ppm1 1.908389 ppm2 0.7844539 volume 17100000 weight 1.0          
REMARK dnoe: 3.316256 position 1.918694 1.246303                                
ASSI { 464 }                                                                    
     ( attr rmsd >= 1.186303 and attr rmsd <= 1.306303 )                        
     (( attr rmsd >= 1.878694 and attr rmsd <= 1.958694 )                       
     and bondedto ( attr rmsd >= 42.28829 and attr rmsd <= 43.88829 ))
      3.6 3.6 1.4                                                               
      peak 464 ppm1 1.246303 ppm2 1.918694 volume 5710000 weight 1.0            
REMARK dnoe: 3.276367 position 1.916044 1.39524                                 
ASSI { 465 }                                                                    
     ( attr rmsd >= 1.33524 and attr rmsd <= 1.45524 )                          
     (( attr rmsd >= 1.876044 and attr rmsd <= 1.956044 )                       
     and bondedto ( attr rmsd >= 42.27582 and attr rmsd <= 43.87582 ))
      3.6 3.6 1.4                                                               
      peak 465 ppm1 1.39524 ppm2 1.916044 volume 6140000 weight 1.0             
REMARK dnoe: 3.505905 position 0.7712526 1.221942                               
ASSI { 466 }                                                                    
     ( attr rmsd >= 1.161942 and attr rmsd <= 1.281942 )                        
     (( attr rmsd >= 0.7312526 and attr rmsd <= 0.8112526 )                     
     and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
      3.6 3.6 1.4                                                               
      peak 466 ppm1 1.221942 ppm2 0.7712526 volume 4090000 weight 1.0           
REMARK dnoe: 3.354539 position 0.7818277 1.396937                               
ASSI { 467 }                                                                    
     ( attr rmsd >= 1.336937 and attr rmsd <= 1.456937 )                        
     (( attr rmsd >= 0.7418277 and attr rmsd <= 0.8218277 )                     
     and bondedto ( attr rmsd >= 42.31104 and attr rmsd <= 43.91104 ))
      3.6 3.6 1.4                                                               
      peak 467 ppm1 1.396937 ppm2 0.7818277 volume 5330000 weight 1.0           
REMARK dnoe: 3.681607 position 0.7686026 2.192192                               
ASSI { 468 }                                                                    
     ( attr rmsd >= 2.132192 and attr rmsd <= 2.252192 )                        
     (( attr rmsd >= 0.7286026 and attr rmsd <= 0.8086026 )                     
     and bondedto ( attr rmsd >= 42.35654 and attr rmsd <= 43.95654 ))
      4.2 4.2 1.8                                                               
      peak 468 ppm1 2.192192 ppm2 0.7686026 volume 3050000 weight 1.0           
REMARK dnoe: 3.479472 position 1.921344 2.207703                                
ASSI { 469 }                                                                    
     ( attr rmsd >= 2.147703 and attr rmsd <= 2.267703 )                        
     (( attr rmsd >= 1.881344 and attr rmsd <= 1.961344 )                       
     and bondedto ( attr rmsd >= 42.37929 and attr rmsd <= 43.97929 ))
      3.6 3.6 1.4                                                               
      peak 469 ppm1 2.207703 ppm2 1.921344 volume 4280000 weight 1.0            
REMARK dnoe: 2.410657 position 2.54351 0.7589755                                
ASSI { 470 }                                                                    
     ( attr rmsd >= 0.6989755 and attr rmsd <= 0.8189755 )                      
     (( attr rmsd >= 2.50351 and attr rmsd <= 2.58351 )                         
     and bondedto ( attr rmsd >= 42.28829 and attr rmsd <= 43.88829 ))
      2.5 2.5 0.2                                                               
      peak 470 ppm1 0.7589755 ppm2 2.54351 volume 38700000 weight 1.0           
REMARK dnoe: 3.475424 position 2.550709 3.823176                                
ASSI { 471 }                                                                    
     ( attr rmsd >= 3.763176 and attr rmsd <= 3.883176 )                        
     (( attr rmsd >= 2.510709 and attr rmsd <= 2.590709 )                       
     and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
      3.6 3.6 1.4                                                               
      peak 471 ppm1 3.823176 ppm2 2.550709 volume 4310000 weight 1.0            
REMARK dnoe: 3.593009 position 1.92927 4.079761                                 
ASSI { 472 }                                                                    
     ( attr rmsd >= 4.019761 and attr rmsd <= 4.139761 )                        
     (( attr rmsd >= 1.88927 and attr rmsd <= 1.96927 )                         
     and bondedto ( attr rmsd >= 42.30141 and attr rmsd <= 43.90141 ))
      3.6 3.6 1.4                                                               
      peak 472 ppm1 4.079761 ppm2 1.92927 volume 0.353e+07 weight 1.0           
REMARK dnoe: 3.373801 position 0.7844539 4.09931                                
ASSI { 473 }                                                                    
     ( attr rmsd >= 4.03931 and attr rmsd <= 4.15931 )                          
     (( attr rmsd >= 0.7444539 and attr rmsd <= 0.8244539 )                     
     and bondedto ( attr rmsd >= 42.25964 and attr rmsd <= 43.85964 ))
      3.6 3.6 1.4                                                               
      peak 473 ppm1 4.09931 ppm2 0.7844539 volume 5150000 weight 1.0            
REMARK dnoe: 3.330004 position 3.205657 5.133492                                
ASSI { 474 }                                                                    
     ( attr rmsd >= 5.073492 and attr rmsd <= 5.193492 )                        
     (( attr rmsd >= 3.165657 and attr rmsd <= 3.245657 )                       
     and bondedto ( attr rmsd >= 42.56106 and attr rmsd <= 44.16106 ))
      3.6 3.6 1.4                                                               
      peak 474 ppm1 5.133492 ppm2 3.205657 volume 5570000 weight 1.0            
REMARK dnoe: 3.622687 position 2.547942 4.928379                                
ASSI { 475 }                                                                    
     ( attr rmsd >= 4.868379 and attr rmsd <= 4.988379 )                        
     (( attr rmsd >= 2.507942 and attr rmsd <= 2.587942 )                       
     and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
      4.2 4.2 1.8                                                               
      peak 475 ppm1 4.928379 ppm2 2.547942 volume 3360000 weight 1.0            
REMARK dnoe: 3.708431 position 2.545292 5.183138                                
ASSI { 476 }                                                                    
     ( attr rmsd >= 5.123138 and attr rmsd <= 5.243138 )                        
     (( attr rmsd >= 2.505292 and attr rmsd <= 2.585292 )                       
     and bondedto ( attr rmsd >= 42.17454 and attr rmsd <= 43.77454 ))
      4.2 4.2 1.8                                                               
      peak 476 ppm1 5.183138 ppm2 2.545292 volume 2920000 weight 1.0            
REMARK dnoe: 2.627153 position 2.545292 5.99023                                 
ASSI { 477 }                                                                    
     ( attr rmsd >= 5.93023 and attr rmsd <= 6.05023 )                          
     (( attr rmsd >= 2.505292 and attr rmsd <= 2.585292 )                       
     and bondedto ( attr rmsd >= 42.28588 and attr rmsd <= 43.88588 ))
      3.0 3.0 0.5999999                                                         
      peak 477 ppm1 5.99023 ppm2 2.545292 volume 23100000 weight 1.0            
REMARK dnoe: 3.470077 position 1.916044 6.442283                                
ASSI { 478 }                                                                    
     ( attr rmsd >= 6.382283 and attr rmsd <= 6.502283 )                        
     (( attr rmsd >= 1.876044 and attr rmsd <= 1.956044 )                       
     and bondedto ( attr rmsd >= 42.24716 and attr rmsd <= 43.84716 ))
      3.6 3.6 1.4                                                               
      peak 478 ppm1 6.442283 ppm2 1.916044 volume 4350000 weight 1.0            
REMARK dnoe: 3.498812 position 1.913395 6.576806                                
ASSI { 479 }                                                                    
     ( attr rmsd >= 6.516806 and attr rmsd <= 6.636806 )                        
     (( attr rmsd >= 1.873395 and attr rmsd <= 1.953395 )                       
     and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
      3.6 3.6 1.4                                                               
      peak 479 ppm1 6.576806 ppm2 1.913395 volume 4140000 weight 1.0            
REMARK dnoe: 3.577964 position 0.7844539 6.442283                               
ASSI { 480 }                                                                    
     ( attr rmsd >= 6.382283 and attr rmsd <= 6.502283 )                        
     (( attr rmsd >= 0.7444539 and attr rmsd <= 0.8244539 )                     
     and bondedto ( attr rmsd >= 42.23907 and attr rmsd <= 43.83907 ))
      3.6 3.6 1.4                                                               
      peak 480 ppm1 6.442283 ppm2 0.7844539 volume 3620000 weight 1.0           
REMARK dnoe: 3.619106 position 0.7818277 6.572381                               
ASSI { 481 }                                                                    
     ( attr rmsd >= 6.512381 and attr rmsd <= 6.632381 )                        
     (( attr rmsd >= 0.7418277 and attr rmsd <= 0.8218277 )                     
     and bondedto ( attr rmsd >= 42.24279 and attr rmsd <= 43.84279 ))
      4.2 4.2 1.8                                                               
      peak 481 ppm1 6.572381 ppm2 0.7818277 volume 3380000 weight 1.0           
REMARK dnoe: 2.711742 position 2.544003 8.579992                                
ASSI { 482 }                                                                    
     ( attr rmsd >= 8.519992 and attr rmsd <= 8.639993 )                        
     (( attr rmsd >= 2.504003 and attr rmsd <= 2.584003 )                       
     and bondedto ( attr rmsd >= 42.24279 and attr rmsd <= 43.84279 ))
      3.0 3.0 0.5999999                                                         
      peak 482 ppm1 8.579992 ppm2 2.544003 volume 19100000 weight 1.0           
REMARK dnoe: 2.898805 position 2.544659 9.481564                                
ASSI { 483 }                                                                    
     ( attr rmsd >= 9.421563 and attr rmsd <= 9.541564 )                        
     (( attr rmsd >= 2.504659 and attr rmsd <= 2.584659 )                       
     and bondedto ( attr rmsd >= 42.22004 and attr rmsd <= 43.82004 ))
      3.0 3.0 0.5999999                                                         
      peak 483 ppm1 9.481564 ppm2 2.544659 volume 12800001 weight 1.0           
REMARK dnoe: 2.429869 position 2.963572 1.095046                                
ASSI { 484 }                                                                    
     ( attr rmsd >= 1.035046 and attr rmsd <= 1.155046 )                        
     (( attr rmsd >= 2.923572 and attr rmsd <= 3.003572 )                       
     and bondedto ( attr rmsd >= 41.76549 and attr rmsd <= 43.36549 ))
      2.5 2.5 0.2                                                               
      peak 484 ppm1 1.095046 ppm2 2.963572 volume 36900000 weight 1.0           
REMARK dnoe: 2.04777 position 2.966666 1.500117                                 
ASSI { 485 }                                                                    
     ( attr rmsd >= 1.440117 and attr rmsd <= 1.560117 )                        
     (( attr rmsd >= 2.926666 and attr rmsd <= 3.006666 )                       
     and bondedto ( attr rmsd >= 41.69725 and attr rmsd <= 43.29725 ))
      2.5 2.5 0.2                                                               
      peak 485 ppm1 1.500117 ppm2 2.966666 volume 103000000 weight 1.0          
REMARK dnoe: 2.266675 position 2.988381 1.65726                                 
ASSI { 486 }                                                                    
     ( attr rmsd >= 1.59726 and attr rmsd <= 1.71726 )                          
     (( attr rmsd >= 2.948381 and attr rmsd <= 3.028381 )                       
     and bondedto ( attr rmsd >= 41.62900 and attr rmsd <= 43.22900 ))
      2.5 2.5 0.2                                                               
      peak 486 ppm1 1.65726 ppm2 2.988381 volume 56000000 weight 1.0            
REMARK dnoe: 2.558149 position 1.446202 0.6346574                               
ASSI { 487 }                                                                    
     ( attr rmsd >= 0.5746574 and attr rmsd <= 0.6946574 )                      
     (( attr rmsd >= 1.406202 and attr rmsd <= 1.486202 )                       
     and bondedto ( attr rmsd >= 41.69725 and attr rmsd <= 43.29725 ))
      3.0 3.0 0.5999999                                                         
      peak 487 ppm1 0.6346574 ppm2 1.446202 volume 27100000 weight 1.0          
REMARK dnoe: 2.400429 position 1.440011 0.7696741                               
ASSI { 488 }                                                                    
     ( attr rmsd >= 0.7096741 and attr rmsd <= 0.8296741 )                      
     (( attr rmsd >= 1.400011 and attr rmsd <= 1.480011 )                       
     and bondedto ( attr rmsd >= 41.65175 and attr rmsd <= 43.25175 ))
      2.5 2.5 0.2                                                               
      peak 488 ppm1 0.7696741 ppm2 1.440011 volume 39700000 weight 1.0          
REMARK dnoe: 2.423346 position 1.443106 1.108322                                
ASSI { 489 }                                                                    
     ( attr rmsd >= 1.048322 and attr rmsd <= 1.168322 )                        
     (( attr rmsd >= 1.403106 and attr rmsd <= 1.483106 )                       
     and bondedto ( attr rmsd >= 41.67449 and attr rmsd <= 43.27449 ))
      2.5 2.5 0.2                                                               
      peak 489 ppm1 1.108322 ppm2 1.443106 volume 37500000 weight 1.0           
REMARK dnoe: 2.891324 position 2.963572 4.121781                                
ASSI { 490 }                                                                    
     ( attr rmsd >= 4.061781 and attr rmsd <= 4.181781 )                        
     (( attr rmsd >= 2.923572 and attr rmsd <= 3.003572 )                       
     and bondedto ( attr rmsd >= 41.83221 and attr rmsd <= 43.43221 ))
      3.0 3.0 0.5999999                                                         
      peak 490 ppm1 4.121781 ppm2 2.963572 volume 13000000 weight 1.0           
REMARK dnoe: 2.726206 position 1.440011 4.078794                                
ASSI { 491 }                                                                    
     ( attr rmsd >= 4.018794 and attr rmsd <= 4.138794 )                        
     (( attr rmsd >= 1.400011 and attr rmsd <= 1.480011 )                       
     and bondedto ( attr rmsd >= 41.78890 and attr rmsd <= 43.38890 ))
      3.0 3.0 0.5999999                                                         
      peak 491 ppm1 4.078794 ppm2 1.440011 volume 18500000 weight 1.0           
REMARK dnoe: 3.228248 position 2.958881 7.345251                                
ASSI { 492 }                                                                    
     ( attr rmsd >= 7.285251 and attr rmsd <= 7.405251 )                        
     (( attr rmsd >= 2.918881 and attr rmsd <= 2.998881 )                       
     and bondedto ( attr rmsd >= 41.76790 and attr rmsd <= 43.36790 ))
      3.6 3.6 1.4                                                               
      peak 492 ppm1 7.345251 ppm2 2.958881 volume 6710000 weight 1.0            
REMARK dnoe: 3.229855 position 1.44177 7.417325                                 
ASSI { 493 }                                                                    
     ( attr rmsd >= 7.357325 and attr rmsd <= 7.477325 )                        
     (( attr rmsd >= 1.40177 and attr rmsd <= 1.48177 )                         
     and bondedto ( attr rmsd >= 41.82040 and attr rmsd <= 43.42040 ))
      3.6 3.6 1.4                                                               
      peak 493 ppm1 7.417325 ppm2 1.44177 volume 6690001 weight 1.0             
REMARK dnoe: 2.930154 position 2.982471 0.714335                                
ASSI { 494 }                                                                    
     ( attr rmsd >= 0.654335 and attr rmsd <= 0.774335 )                        
     (( attr rmsd >= 2.942471 and attr rmsd <= 3.022471 )                       
     and bondedto ( attr rmsd >= 41.62900 and attr rmsd <= 43.22900 ))
      3.0 3.0 0.5999999                                                         
      peak 494 ppm1 0.714335 ppm2 2.982471 volume 12000000 weight 1.0           
REMARK dnoe: 2.364136 position 2.745943 0.6412954                               
ASSI { 495 }                                                                    
     ( attr rmsd >= 0.5812954 and attr rmsd <= 0.7012954 )                      
     (( attr rmsd >= 2.705943 and attr rmsd <= 2.785943 )                       
     and bondedto ( attr rmsd >= 41.26523 and attr rmsd <= 42.86523 ))
      2.5 2.5 0.2                                                               
      peak 495 ppm1 0.6412954 ppm2 2.745943 volume 43500000 weight 1.0          
REMARK dnoe: 2.329727 position 2.759379 1.079686                                
ASSI { 496 }                                                                    
     ( attr rmsd >= 1.019686 and attr rmsd <= 1.139686 )                        
     (( attr rmsd >= 2.719379 and attr rmsd <= 2.799379 )                       
     and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
      2.5 2.5 0.2                                                               
      peak 496 ppm1 1.079686 ppm2 2.759379 volume 47500000 weight 1.0           
REMARK dnoe: 2.454892 position 2.759379 1.469419                                
ASSI { 497 }                                                                    
     ( attr rmsd >= 1.409419 and attr rmsd <= 1.529419 )                        
     (( attr rmsd >= 2.719379 and attr rmsd <= 2.799379 )                       
     and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
      2.5 2.5 0.2                                                               
      peak 497 ppm1 1.469419 ppm2 2.759379 volume 34700000 weight 1.0           
REMARK dnoe: 2.505518 position 2.851088 0.7652488                               
ASSI { 498 }                                                                    
     ( attr rmsd >= 0.7052488 and attr rmsd <= 0.8252488 )                      
     (( attr rmsd >= 2.811088 and attr rmsd <= 2.891088 )                       
     and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
      3.0 3.0 0.5999999                                                         
      peak 498 ppm1 0.7652488 ppm2 2.851088 volume 30700002 weight 1.0          
REMARK dnoe: 2.171189 position 2.874021 1.221405                                
ASSI { 499 }                                                                    
     ( attr rmsd >= 1.161405 and attr rmsd <= 1.281405 )                        
     (( attr rmsd >= 2.834021 and attr rmsd <= 2.914021 )                       
     and bondedto ( attr rmsd >= 41.46997 and attr rmsd <= 43.06997 ))
      2.5 2.5 0.2                                                               
      peak 499 ppm1 1.221405 ppm2 2.874021 volume 72500000 weight 1.0           
REMARK dnoe: 2.099029 position 2.874021 1.480482                                
ASSI { 500 }                                                                    
     ( attr rmsd >= 1.420482 and attr rmsd <= 1.540482 )                        
     (( attr rmsd >= 2.834021 and attr rmsd <= 2.914021 )                       
     and bondedto ( attr rmsd >= 41.51547 and attr rmsd <= 43.11547 ))
      2.5 2.5 0.2                                                               
      peak 500 ppm1 1.480482 ppm2 2.874021 volume 88800000 weight 1.0           
REMARK dnoe: 3.658004 position 2.957944 9.835099                                
ASSI { 501 }                                                                    
     ( attr rmsd >= 9.775099 and attr rmsd <= 9.8951 )                          
     (( attr rmsd >= 2.917944 and attr rmsd <= 2.997944 )                       
     and bondedto ( attr rmsd >= 41.70709 and attr rmsd <= 43.30709 ))
      4.2 4.2 1.8                                                               
      peak 501 ppm1 9.835099 ppm2 2.957944 volume 3170000 weight 1.0            
REMARK dnoe: 3.873084 position 2.958671 7.792063                                
ASSI { 502 }                                                                    
     ( attr rmsd >= 7.732063 and attr rmsd <= 7.852063 )                        
     (( attr rmsd >= 2.918671 and attr rmsd <= 2.998671 )                       
     and bondedto ( attr rmsd >= 41.69506 and attr rmsd <= 43.29506 ))
      4.2 4.2 1.8                                                               
      peak 502 ppm1 7.792063 ppm2 2.958671 volume 2250000 weight 1.0            
REMARK dnoe: 2.773115 position 2.985683 1.82811                                 
ASSI { 503 }                                                                    
     ( attr rmsd >= 1.76811 and attr rmsd <= 1.88811 )                          
     (( attr rmsd >= 2.945683 and attr rmsd <= 3.025683 )                       
     and bondedto ( attr rmsd >= 41.62900 and attr rmsd <= 43.22900 ))
      3.0 3.0 0.5999999                                                         
      peak 503 ppm1 1.82811 ppm2 2.985683 volume 16700000 weight 1.0            
REMARK dnoe: 2.790078 position 2.758841 1.71739                                 
ASSI { 504 }                                                                    
     ( attr rmsd >= 1.65739 and attr rmsd <= 1.77739 )                          
     (( attr rmsd >= 2.718841 and attr rmsd <= 2.798841 )                       
     and bondedto ( attr rmsd >= 41.28797 and attr rmsd <= 42.88797 ))
      3.0 3.0 0.5999999                                                         
      peak 504 ppm1 1.71739 ppm2 2.758841 volume 16100000 weight 1.0            
REMARK dnoe: 2.926104 position 2.921974 0.8870108                               
ASSI { 505 }                                                                    
     ( attr rmsd >= 0.8270108 and attr rmsd <= 0.9470108 )                      
     (( attr rmsd >= 2.881974 and attr rmsd <= 2.961974 )                       
     and bondedto ( attr rmsd >= 41.28797 and attr rmsd <= 42.88797 ))
      3.0 3.0 0.5999999                                                         
      peak 505 ppm1 0.8870108 ppm2 2.921974 volume 12100000 weight 1.0          
REMARK dnoe: 3.253799 position 1.60645 -0.1937881                               
ASSI { 506 }                                                                    
     ( attr rmsd >= -0.2537881 and attr rmsd <= -0.1337881 )                    
     (( attr rmsd >= 1.56645 and attr rmsd <= 1.64645 )                         
     and bondedto ( attr rmsd >= 41.26523 and attr rmsd <= 42.86523 ))
      3.6 3.6 1.4                                                               
      peak 506 ppm1 -0.1937881 ppm2 1.60645 volume 6400000 weight 1.0           
REMARK dnoe: 3.218725 position 1.043962 -0.1959367                              
ASSI { 507 }                                                                    
     ( attr rmsd >= -0.2559367 and attr rmsd <= -0.1359367 )                    
     (( attr rmsd >= 1.003962 and attr rmsd <= 1.083962 )                       
     and bondedto ( attr rmsd >= 41.23548 and attr rmsd <= 42.83548 ))
      3.6 3.6 1.4                                                               
      peak 507 ppm1 -0.1959367 ppm2 1.043962 volume 6830001 weight 1.0          
REMARK dnoe: 2.630963 position 1.602957 0.4041305                               
ASSI { 508 }                                                                    
     ( attr rmsd >= 0.3441305 and attr rmsd <= 0.4641305 )                      
     (( attr rmsd >= 1.562957 and attr rmsd <= 1.642957 )                       
     and bondedto ( attr rmsd >= 41.21973 and attr rmsd <= 42.81973 ))
      3.0 3.0 0.5999999                                                         
      peak 508 ppm1 0.4041305 ppm2 1.602957 volume 22900000 weight 1.0          
REMARK dnoe: 2.691012 position 1.037748 0.404109                                
ASSI { 509 }                                                                    
     ( attr rmsd >= 0.344109 and attr rmsd <= 0.464109 )                        
     (( attr rmsd >= 0.997748 and attr rmsd <= 1.077748 )                       
     and bondedto ( attr rmsd >= 41.20179 and attr rmsd <= 42.80179 ))
      3.0 3.0 0.5999999                                                         
      peak 509 ppm1 0.404109 ppm2 1.037748 volume 20000000 weight 1.0           
REMARK dnoe: 2.120246 position 1.603215 1.048536                                
ASSI { 510 }                                                                    
     ( attr rmsd >= 0.9885359 and attr rmsd <= 1.108536 )                       
     (( attr rmsd >= 1.563215 and attr rmsd <= 1.643215 )                       
     and bondedto ( attr rmsd >= 41.21973 and attr rmsd <= 42.81973 ))
      2.5 2.5 0.2                                                               
      peak 510 ppm1 1.048536 ppm2 1.603215 volume 83600000 weight 1.0           
REMARK dnoe: 2.434287 position 1.02274 1.585982                                 
ASSI { 511 }                                                                    
     ( attr rmsd >= 1.525982 and attr rmsd <= 1.645982 )                        
     (( attr rmsd >= 0.98274 and attr rmsd <= 1.06274 )                         
     and bondedto ( attr rmsd >= 41.20660 and attr rmsd <= 42.80660 ))
      2.5 2.5 0.2                                                               
      peak 511 ppm1 1.585982 ppm2 1.02274 volume 36500000 weight 1.0            
REMARK dnoe: 2.842455 position 2.661458 0.2751498                               
ASSI { 512 }                                                                    
     ( attr rmsd >= 0.2151498 and attr rmsd <= 0.3351498 )                      
     (( attr rmsd >= 2.621458 and attr rmsd <= 2.701458 )                       
     and bondedto ( attr rmsd >= 41.06070 and attr rmsd <= 42.66070 ))
      3.0 3.0 0.5999999                                                         
      peak 512 ppm1 0.2751498 ppm2 2.661458 volume 14399999 weight 1.0          
REMARK dnoe: 2.580864 position 2.615592 0.6388674                               
ASSI { 513 }                                                                    
     ( attr rmsd >= 0.5788674 and attr rmsd <= 0.6988674 )                      
     (( attr rmsd >= 2.575592 and attr rmsd <= 2.655592 )                       
     and bondedto ( attr rmsd >= 41.08345 and attr rmsd <= 42.68345 ))
      3.0 3.0 0.5999999                                                         
      peak 513 ppm1 0.6388674 ppm2 2.615592 volume 25700000 weight 1.0          
REMARK dnoe: 2.606863 position 2.613012 0.749588                                
ASSI { 514 }                                                                    
     ( attr rmsd >= 0.689588 and attr rmsd <= 0.809588 )                        
     (( attr rmsd >= 2.573012 and attr rmsd <= 2.653012 )                       
     and bondedto ( attr rmsd >= 41.03795 and attr rmsd <= 42.63795 ))
      3.0 3.0 0.5999999                                                         
      peak 514 ppm1 0.749588 ppm2 2.613012 volume 24200000 weight 1.0           
REMARK dnoe: 2.575877 position 2.663873 1.677218                                
ASSI { 516 }                                                                    
     ( attr rmsd >= 1.617218 and attr rmsd <= 1.737218 )                        
     (( attr rmsd >= 2.623873 and attr rmsd <= 2.703873 )                       
     and bondedto ( attr rmsd >= 41.19720 and attr rmsd <= 42.79720 ))
      3.0 3.0 0.5999999                                                         
      peak 516 ppm1 1.677218 ppm2 2.663873 volume 26000000 weight 1.0           
REMARK dnoe: 2.458447 position 2.741113 0.7417681                               
ASSI { 517 }                                                                    
     ( attr rmsd >= 0.6817681 and attr rmsd <= 0.8017681 )                      
     (( attr rmsd >= 2.701113 and attr rmsd <= 2.781113 )                       
     and bondedto ( attr rmsd >= 41.26523 and attr rmsd <= 42.86523 ))
      2.5 2.5 0.2                                                               
      peak 517 ppm1 0.7417681 ppm2 2.741113 volume 34400000 weight 1.0          
REMARK dnoe: 2.519385 position 3.291549 5.302043                                
ASSI { 518 }                                                                    
     ( attr rmsd >= 5.242043 and attr rmsd <= 5.362043 )                        
     (( attr rmsd >= 3.251549 and attr rmsd <= 3.331549 )                       
     and bondedto ( attr rmsd >= 41.01520 and attr rmsd <= 42.61520 ))
      3.0 3.0 0.5999999                                                         
      peak 518 ppm1 5.302043 ppm2 3.291549 volume 29700000 weight 1.0           
REMARK dnoe: 2.644611 position 2.671119 5.485116                                
ASSI { 519 }                                                                    
     ( attr rmsd >= 5.425116 and attr rmsd <= 5.545116 )                        
     (( attr rmsd >= 2.631119 and attr rmsd <= 2.711119 )                       
     and bondedto ( attr rmsd >= 41.19720 and attr rmsd <= 42.79720 ))
      3.0 3.0 0.5999999                                                         
      peak 519 ppm1 5.485116 ppm2 2.671119 volume 22200000 weight 1.0           
REMARK dnoe: 2.441021 position 3.274643 6.889847                                
ASSI { 520 }                                                                    
     ( attr rmsd >= 6.829847 and attr rmsd <= 6.949847 )                        
     (( attr rmsd >= 3.234643 and attr rmsd <= 3.314643 )                       
     and bondedto ( attr rmsd >= 41.08345 and attr rmsd <= 42.68345 ))
      2.5 2.5 0.2                                                               
      peak 520 ppm1 6.889847 ppm2 3.274643 volume 35900000 weight 1.0           
REMARK dnoe: 2.615949 position 2.663873 6.840738                                
ASSI { 521 }                                                                    
     ( attr rmsd >= 6.780738 and attr rmsd <= 6.900738 )                        
     (( attr rmsd >= 2.623873 and attr rmsd <= 2.703873 )                       
     and bondedto ( attr rmsd >= 41.15170 and attr rmsd <= 42.75170 ))
      3.0 3.0 0.5999999                                                         
      peak 521 ppm1 6.840738 ppm2 2.663873 volume 23700000 weight 1.0           
REMARK dnoe: 3.179602 position 1.596836 7.722546                                
ASSI { 522 }                                                                    
     ( attr rmsd >= 7.662546 and attr rmsd <= 7.782546 )                        
     (( attr rmsd >= 1.556836 and attr rmsd <= 1.636836 )                       
     and bondedto ( attr rmsd >= 41.22170 and attr rmsd <= 42.82170 ))
      3.6 3.6 1.4                                                               
      peak 522 ppm1 7.722546 ppm2 1.596836 volume 7350000 weight 1.0            
REMARK dnoe: 3.34622 position 1.025648 7.731268                                 
ASSI { 523 }                                                                    
     ( attr rmsd >= 7.671268 and attr rmsd <= 7.791268 )                        
     (( attr rmsd >= 0.985648 and attr rmsd <= 1.065648 )                       
     and bondedto ( attr rmsd >= 41.24248 and attr rmsd <= 42.84248 ))
      3.6 3.6 1.4                                                               
      peak 523 ppm1 7.731268 ppm2 1.025648 volume 5410000 weight 1.0            
REMARK dnoe: 2.898805 position 3.276308 8.592323                                
ASSI { 524 }                                                                    
     ( attr rmsd >= 8.532323 and attr rmsd <= 8.652324 )                        
     (( attr rmsd >= 3.236308 and attr rmsd <= 3.316308 )                       
     and bondedto ( attr rmsd >= 40.92421 and attr rmsd <= 42.52421 ))
      3.0 3.0 0.5999999                                                         
      peak 524 ppm1 8.592323 ppm2 3.276308 volume 12800001 weight 1.0           
REMARK dnoe: 2.991367 position 2.662935 8.579241                                
ASSI { 525 }                                                                    
     ( attr rmsd >= 8.51924 and attr rmsd <= 8.639241 )                         
     (( attr rmsd >= 2.622935 and attr rmsd <= 2.702935 )                       
     and bondedto ( attr rmsd >= 40.96970 and attr rmsd <= 42.56970 ))
      3.0 3.0 0.5999999                                                         
      peak 525 ppm1 8.579241 ppm2 2.662935 volume 10600000 weight 1.0           
REMARK dnoe: 2.887634 position 2.660519 9.202681                                
ASSI { 526 }                                                                    
     ( attr rmsd >= 9.14268 and attr rmsd <= 9.262681 )                         
     (( attr rmsd >= 2.620519 and attr rmsd <= 2.700519 )                       
     and bondedto ( attr rmsd >= 41.08345 and attr rmsd <= 42.68345 ))
      3.0 3.0 0.5999999                                                         
      peak 526 ppm1 9.202681 ppm2 2.660519 volume 13100000 weight 1.0           
REMARK dnoe: 2.167715 position 2.912641 1.608796                                
ASSI { 527 }                                                                    
     ( attr rmsd >= 1.548796 and attr rmsd <= 1.668796 )                        
     (( attr rmsd >= 2.872641 and attr rmsd <= 2.952641 )                       
     and bondedto ( attr rmsd >= 41.35622 and attr rmsd <= 42.95622 ))
      2.5 2.5 0.2                                                               
      peak 527 ppm1 1.608796 ppm2 2.912641 volume 73200000 weight 1.0           
REMARK dnoe: 3.412426 position 0.6404319 9.881995                               
ASSI { 528 }                                                                    
     ( attr rmsd >= 9.821995 and attr rmsd <= 9.941996 )                        
     (( attr rmsd >= 0.6004319 and attr rmsd <= 0.6804319 )                     
     and bondedto ( attr rmsd >= 13.24023 and attr rmsd <= 14.84023 ))
      3.6 3.6 1.4                                                               
      peak 528 ppm1 9.881995 ppm2 0.6404319 volume 4810000 weight 1.0           
REMARK dnoe: 2.906424 position 0.6438551 9.108028                               
ASSI { 530 }                                                                    
     ( attr rmsd >= 9.048028 and attr rmsd <= 9.168029 )                        
     (( attr rmsd >= 0.6038551 and attr rmsd <= 0.6838551 )                     
     and bondedto ( attr rmsd >= 13.21836 and attr rmsd <= 14.81836 ))
      3.0 3.0 0.5999999                                                         
      peak 530 ppm1 9.108028 ppm2 0.6438551 volume 12600000 weight 1.0          
REMARK dnoe: 3.201763 position 0.2570915 9.015783                               
ASSI { 533 }                                                                    
     ( attr rmsd >= 8.955783 and attr rmsd <= 9.075784 )                        
     (( attr rmsd >= 0.2170915 and attr rmsd <= 0.2970915 )                     
     and bondedto ( attr rmsd >= 13.22645 and attr rmsd <= 14.82645 ))
      3.6 3.6 1.4                                                               
      peak 533 ppm1 9.015783 ppm2 0.2570915 volume 7050000 weight 1.0           
REMARK dnoe: 3.120868 position 0.6466222 6.902693                               
ASSI { 534 }                                                                    
     ( attr rmsd >= 6.842693 and attr rmsd <= 6.962693 )                        
     (( attr rmsd >= 0.6066222 and attr rmsd <= 0.6866222 )                     
     and bondedto ( attr rmsd >= 13.18817 and attr rmsd <= 14.78817 ))
      3.6 3.6 1.4                                                               
      peak 534 ppm1 6.902693 ppm2 0.6466222 volume 8220001 weight 1.0           
REMARK dnoe: 3.217157 position 0.2687922 6.576806                               
ASSI { 535 }                                                                    
     ( attr rmsd >= 6.516806 and attr rmsd <= 6.636806 )                        
     (( attr rmsd >= 0.2287922 and attr rmsd <= 0.3087922 )                     
     and bondedto ( attr rmsd >= 13.23236 and attr rmsd <= 14.83236 ))
      3.6 3.6 1.4                                                               
      peak 535 ppm1 6.576806 ppm2 0.2687922 volume 6850000 weight 1.0           
REMARK dnoe: 3.11646 position 0.2661896 6.723272                                
ASSI { 536 }                                                                    
     ( attr rmsd >= 6.663272 and attr rmsd <= 6.783272 )                        
     (( attr rmsd >= 0.2261896 and attr rmsd <= 0.3061896 )                     
     and bondedto ( attr rmsd >= 13.24133 and attr rmsd <= 14.84133 ))
      3.6 3.6 1.4                                                               
      peak 536 ppm1 6.723272 ppm2 0.2661896 volume 8290000 weight 1.0           
REMARK dnoe: 3.084437 position 0.2661896 6.838332                               
ASSI { 537 }                                                                    
     ( attr rmsd >= 6.778332 and attr rmsd <= 6.898332 )                        
     (( attr rmsd >= 0.2261896 and attr rmsd <= 0.3061896 )                     
     and bondedto ( attr rmsd >= 13.16061 and attr rmsd <= 14.76061 ))
      3.6 3.6 1.4                                                               
      peak 537 ppm1 6.838332 ppm2 0.2661896 volume 8820000 weight 1.0           
REMARK dnoe: 3.239613 position 0.6403141 5.391603                               
ASSI { 538 }                                                                    
     ( attr rmsd >= 5.331603 and attr rmsd <= 5.451603 )                        
     (( attr rmsd >= 0.6003141 and attr rmsd <= 0.6803141 )                     
     and bondedto ( attr rmsd >= 13.12845 and attr rmsd <= 14.72845 ))
      3.6 3.6 1.4                                                               
      peak 538 ppm1 5.391603 ppm2 0.6403141 volume 6570000 weight 1.0           
REMARK dnoe: 2.736156 position 0.6336784 4.708077                               
ASSI { 539 }                                                                    
     ( attr rmsd >= 4.648077 and attr rmsd <= 4.768077 )                        
     (( attr rmsd >= 0.5936784 and attr rmsd <= 0.6736784 )                     
     and bondedto ( attr rmsd >= 13.19604 and attr rmsd <= 14.79604 ))
      3.0 3.0 0.5999999                                                         
      peak 539 ppm1 4.708077 ppm2 0.6336784 volume 18100000 weight 1.0          
REMARK dnoe: 2.736156 position 0.6440425 4.869066                               
ASSI { 540 }                                                                    
     ( attr rmsd >= 4.809066 and attr rmsd <= 4.929066 )                        
     (( attr rmsd >= 0.6040425 and attr rmsd <= 0.6840425 )                     
     and bondedto ( attr rmsd >= 13.20589 and attr rmsd <= 14.80589 ))
      3.0 3.0 0.5999999                                                         
      peak 540 ppm1 4.869066 ppm2 0.6440425 volume 18100000 weight 1.0          
REMARK dnoe: 2.660837 position 0.6704459 4.731815                               
ASSI { 541 }                                                                    
     ( attr rmsd >= 4.671815 and attr rmsd <= 4.791815 )                        
     (( attr rmsd >= 0.6304459 and attr rmsd <= 0.7104459 )                     
     and bondedto ( attr rmsd >= 13.19495 and attr rmsd <= 14.79495 ))
      3.0 3.0 0.5999999                                                         
      peak 541 ppm1 4.731815 ppm2 0.6704459 volume 21400000 weight 1.0          
REMARK dnoe: 3.927284 position 0.266377 4.253661                                
ASSI { 542 }                                                                    
     ( attr rmsd >= 4.193661 and attr rmsd <= 4.313661 )                        
     (( attr rmsd >= 0.226377 and attr rmsd <= 0.306377 )                       
     and bondedto ( attr rmsd >= 13.15272 and attr rmsd <= 14.75272 ))
      4.2 4.2 1.8                                                               
      peak 542 ppm1 4.253661 ppm2 0.266377 volume 2070000 weight 1.0            
REMARK dnoe: 2.743789 position 0.6393533 2.653118                               
ASSI { 543 }                                                                    
     ( attr rmsd >= 2.593118 and attr rmsd <= 2.713118 )                        
     (( attr rmsd >= 0.5993533 and attr rmsd <= 0.6793533 )                     
     and bondedto ( attr rmsd >= 13.18861 and attr rmsd <= 14.78861 ))
      3.0 3.0 0.5999999                                                         
      peak 543 ppm1 2.653118 ppm2 0.6393533 volume 17800000 weight 1.0          
REMARK dnoe: 3.086189 position 0.638134 2.470948                                
ASSI { 544 }                                                                    
     ( attr rmsd >= 2.410948 and attr rmsd <= 2.530948 )                        
     (( attr rmsd >= 0.598134 and attr rmsd <= 0.678134 )                       
     and bondedto ( attr rmsd >= 13.20982 and attr rmsd <= 14.80982 ))
      3.6 3.6 1.4                                                               
      peak 544 ppm1 2.470948 ppm2 0.638134 volume 8790000 weight 1.0            
REMARK dnoe: 2.813879 position 0.2636333 2.627296                               
ASSI { 545 }                                                                    
     ( attr rmsd >= 2.567296 and attr rmsd <= 2.687296 )                        
     (( attr rmsd >= 0.2236333 and attr rmsd <= 0.3036333 )                     
     and bondedto ( attr rmsd >= 13.20698 and attr rmsd <= 14.80698 ))
      3.0 3.0 0.5999999                                                         
      peak 545 ppm1 2.627296 ppm2 0.2636333 volume 15300000 weight 1.0          
REMARK dnoe: 2.330545 position 0.6403613 1.902546                               
ASSI { 546 }                                                                    
     ( attr rmsd >= 1.842546 and attr rmsd <= 1.962546 )                        
     (( attr rmsd >= 0.6003613 and attr rmsd <= 0.6803613 )                     
     and bondedto ( attr rmsd >= 13.20392 and attr rmsd <= 14.80392 ))
      2.5 2.5 0.2                                                               
      peak 546 ppm1 1.902546 ppm2 0.6403613 volume 47400000 weight 1.0          
REMARK dnoe: 2.132759 position 0.6524611 1.001318                               
ASSI { 547 }                                                                    
     ( attr rmsd >= 0.941318 and attr rmsd <= 1.061318 )                        
     (( attr rmsd >= 0.6124611 and attr rmsd <= 0.6924611 )                     
     and bondedto ( attr rmsd >= 13.19320 and attr rmsd <= 14.79320 ))
      2.5 2.5 0.2                                                               
      peak 547 ppm1 1.001318 ppm2 0.6524611 volume 80700000 weight 1.0          
REMARK dnoe: 2.314548 position 0.2617106 0.5843887                              
ASSI { 548 }                                                                    
     ( attr rmsd >= 0.5243887 and attr rmsd <= 0.6443887 )                      
     (( attr rmsd >= 0.2217106 and attr rmsd <= 0.3017106 )                     
     and bondedto ( attr rmsd >= 13.24505 and attr rmsd <= 14.84505 ))
      2.5 2.5 0.2                                                               
      peak 548 ppm1 0.5843887 ppm2 0.2617106 volume 49400000 weight 1.0         
REMARK dnoe: 2.400429 position 0.2615232 0.9696963                              
ASSI { 549 }                                                                    
     ( attr rmsd >= 0.9096963 and attr rmsd <= 1.029696 )                       
     (( attr rmsd >= 0.2215232 and attr rmsd <= 0.3015232 )                     
     and bondedto ( attr rmsd >= 13.23542 and attr rmsd <= 14.83542 ))
      2.5 2.5 0.2                                                               
      peak 549 ppm1 0.9696963 ppm2 0.2615232 volume 39700000 weight 1.0         
REMARK dnoe: 2.615949 position 0.2615695 1.670988                               
ASSI { 550 }                                                                    
     ( attr rmsd >= 1.610988 and attr rmsd <= 1.730988 )                        
     (( attr rmsd >= 0.2215695 and attr rmsd <= 0.3015695 )                     
     and bondedto ( attr rmsd >= 13.21661 and attr rmsd <= 14.81661 ))
      3.0 3.0 0.5999999                                                         
      peak 550 ppm1 1.670988 ppm2 0.2615695 volume 23700000 weight 1.0          
REMARK dnoe: 2.922093 position 0.2636333 1.396572                               
ASSI { 552 }                                                                    
     ( attr rmsd >= 1.461299 and attr rmsd <= 1.581299 )                        
     (( attr rmsd >= 0.2228827 and attr rmsd <= 0.3028827 )                     
     and bondedto ( attr rmsd >= 13.21661 and attr rmsd <= 14.81661 ))
      3.0 3.0 0.5999999                                                         
      peak 552 ppm1 1.521299 ppm2 0.2628827 volume 20600000 weight 1.0          
REMARK dnoe: 2.823181 position 0.2599988 1.798485                               
ASSI { 553 }                                                                    
     ( attr rmsd >= 1.738485 and attr rmsd <= 1.858485 )                        
     (( attr rmsd >= 0.2199988 and attr rmsd <= 0.2999988 )                     
     and bondedto ( attr rmsd >= 13.23542 and attr rmsd <= 14.83542 ))
      3.0 3.0 0.5999999                                                         
      peak 553 ppm1 1.798485 ppm2 0.2599988 volume 15000001 weight 1.0          
REMARK dnoe: 2.237663 position 0.6436205 1.610902                               
ASSI { 554 }                                                                    
     ( attr rmsd >= 1.550902 and attr rmsd <= 1.670902 )                        
     (( attr rmsd >= 0.6036205 and attr rmsd <= 0.6836205 )                     
     and bondedto ( attr rmsd >= 13.20392 and attr rmsd <= 14.80392 ))
      2.5 2.5 0.2                                                               
      peak 554 ppm1 1.610902 ppm2 0.6436205 volume 60500000 weight 1.0          
REMARK dnoe: 2.034808 position 0.6443949 1.372576                               
ASSI { 555 }                                                                    
     ( attr rmsd >= 1.312576 and attr rmsd <= 1.432576 )                        
     (( attr rmsd >= 0.6043949 and attr rmsd <= 0.6843949 )                     
     and bondedto ( attr rmsd >= 13.21464 and attr rmsd <= 14.81464 ))
      2.5 2.5 0.2                                                               
      peak 555 ppm1 1.372576 ppm2 0.6443949 volume 107000000 weight 1.0         
REMARK dnoe: 2.72867 position 0.2559185 0.7567627                               
ASSI { 556 }                                                                    
     ( attr rmsd >= 0.6967627 and attr rmsd <= 0.8167627 )                      
     (( attr rmsd >= 0.2159185 and attr rmsd <= 0.2959185 )                     
     and bondedto ( attr rmsd >= 13.22601 and attr rmsd <= 14.82601 ))
      3.0 3.0 0.5999999                                                         
      peak 556 ppm1 0.7567627 ppm2 0.2559185 volume 18400000 weight 1.0         
REMARK dnoe: 2.810826 position 0.2504787 -0.006505                              
ASSI { 557 }                                                                    
     ( attr rmsd >= -0.066505 and attr rmsd <= 0.053495 )                       
     (( attr rmsd >= 0.2104787 and attr rmsd <= 0.2904787 )                     
     and bondedto ( attr rmsd >= 13.23148 and attr rmsd <= 14.83148 ))
      3.0 3.0 0.5999999                                                         
      peak 557 ppm1 -0.006505 ppm2 0.2504787 volume 15400000 weight 1.0         
REMARK dnoe: 2.180306 position 0.6855941 1.038225                               
ASSI { 558 }                                                                    
     ( attr rmsd >= 0.9782251 and attr rmsd <= 1.098225 )                       
     (( attr rmsd >= 0.6455941 and attr rmsd <= 0.7255941 )                     
     and bondedto ( attr rmsd >= 13.13064 and attr rmsd <= 14.73064 ))
      2.5 2.5 0.2                                                               
      peak 558 ppm1 1.038225 ppm2 0.6855941 volume 70700000 weight 1.0          
REMARK dnoe: 2.158477 position 0.6855941 1.360461                               
ASSI { 559 }                                                                    
     ( attr rmsd >= 1.300461 and attr rmsd <= 1.420461 )                        
     (( attr rmsd >= 0.6455941 and attr rmsd <= 0.7255941 )                     
     and bondedto ( attr rmsd >= 13.13786 and attr rmsd <= 14.73786 ))
      2.5 2.5 0.2                                                               
      peak 559 ppm1 1.360461 ppm2 0.6855941 volume 75100000 weight 1.0          
REMARK dnoe: 2.341372 position 0.6835308 1.636681                               
ASSI { 560 }                                                                    
     ( attr rmsd >= 1.576681 and attr rmsd <= 1.696681 )                        
     (( attr rmsd >= 0.6435308 and attr rmsd <= 0.7235308 )                     
     and bondedto ( attr rmsd >= 13.14486 and attr rmsd <= 14.74486 ))
      2.5 2.5 0.2                                                               
      peak 560 ppm1 1.636681 ppm2 0.6835308 volume 46100000 weight 1.0          
REMARK dnoe: 3.101066 position -0.0295234 1.565939                              
ASSI { 562 }                                                                    
     ( attr rmsd >= 1.160181 and attr rmsd <= 1.280181 )                        
     (( attr rmsd >= -0.0720325 and attr rmsd <= 0.0079675 )                    
     and bondedto ( attr rmsd >= 12.37991 and attr rmsd <= 13.97991 ))
      3.0 3.0 0.5999999                                                         
      peak 562 ppm1 1.220181 ppm2 -0.0320325 volume 21600000 weight 1.0         
REMARK dnoe: 2.67996 position -0.0320325 1.006689                               
ASSI { 563 }                                                                    
     ( attr rmsd >= 0.946689 and attr rmsd <= 1.066689 )                        
     (( attr rmsd >= -0.0720325 and attr rmsd <= 0.0079675 )                    
     and bondedto ( attr rmsd >= 12.37881 and attr rmsd <= 13.97881 ))
      3.0 3.0 0.5999999                                                         
      peak 563 ppm1 1.006689 ppm2 -0.0320325 volume 20500000 weight 1.0         
REMARK dnoe: 2.684343 position -0.0320325 0.5286636                             
ASSI { 565 }                                                                    
     ( attr rmsd >= 0.3804783 and attr rmsd <= 0.5004783 )                      
     (( attr rmsd >= -0.0720325 and attr rmsd <= 0.0079675 )                    
     and bondedto ( attr rmsd >= 12.36766 and attr rmsd <= 13.96766 ))
      3.0 3.0 0.5999999                                                         
      peak 565 ppm1 0.4404783 ppm2 -0.0320325 volume 26100000 weight 1.0        
REMARK dnoe: 2.158477 position 0.6235723 0.8686216                              
ASSI { 566 }                                                                    
     ( attr rmsd >= 0.8086216 and attr rmsd <= 0.9286216 )                      
     (( attr rmsd >= 0.5835723 and attr rmsd <= 0.6635723 )                     
     and bondedto ( attr rmsd >= 12.37729 and attr rmsd <= 13.97729 ))
      2.5 2.5 0.2                                                               
      peak 566 ppm1 0.8686216 ppm2 0.6235723 volume 75100000 weight 1.0         
REMARK dnoe: 2.475531 position 0.6251903 1.063381                               
ASSI { 568 }                                                                    
     ( attr rmsd >= 1.214961 and attr rmsd <= 1.334961 )                        
     (( attr rmsd >= 0.5851903 and attr rmsd <= 0.6651903 )                     
     and bondedto ( attr rmsd >= 12.40200 and attr rmsd <= 14.00200 ))
      2.5 2.5 0.2                                                               
      peak 568 ppm1 1.274961 ppm2 0.6251903 volume 50800000 weight 1.0          
REMARK dnoe: 2.597992 position 0.6251903 1.443274                               
ASSI { 569 }                                                                    
     ( attr rmsd >= 1.383274 and attr rmsd <= 1.503274 )                        
     (( attr rmsd >= 0.5851903 and attr rmsd <= 0.6651903 )                     
     and bondedto ( attr rmsd >= 12.41862 and attr rmsd <= 14.01862 ))
      3.0 3.0 0.5999999                                                         
      peak 569 ppm1 1.443274 ppm2 0.6251903 volume 24700000 weight 1.0          
REMARK dnoe: 2.437638 position 0.6235723 1.729398                               
ASSI { 570 }                                                                    
     ( attr rmsd >= 1.669398 and attr rmsd <= 1.789398 )                        
     (( attr rmsd >= 0.5835723 and attr rmsd <= 0.6635723 )                     
     and bondedto ( attr rmsd >= 12.40200 and attr rmsd <= 14.00200 ))
      2.5 2.5 0.2                                                               
      peak 570 ppm1 1.729398 ppm2 0.6235723 volume 36200000 weight 1.0          
REMARK dnoe: 3.031263 position 0.6213446 2.766158                               
ASSI { 571 }                                                                    
     ( attr rmsd >= 2.706158 and attr rmsd <= 2.826158 )                        
     (( attr rmsd >= 0.5813446 and attr rmsd <= 0.6613446 )                     
     and bondedto ( attr rmsd >= 12.39390 and attr rmsd <= 13.99390 ))
      3.6 3.6 1.4                                                               
      peak 571 ppm1 2.766158 ppm2 0.6213446 volume 9790000 weight 1.0           
REMARK dnoe: 3.479472 position -0.0310707 3.73469                               
ASSI { 572 }                                                                    
     ( attr rmsd >= 3.67469 and attr rmsd <= 3.79469 )                          
     (( attr rmsd >= -0.0710707 and attr rmsd <= 0.0089293 )                    
     and bondedto ( attr rmsd >= 12.38188 and attr rmsd <= 13.98188 ))
      3.6 3.6 1.4                                                               
      peak 572 ppm1 3.73469 ppm2 -0.0310707 volume 4280000 weight 1.0           
REMARK dnoe: 3.138288 position 0.6219306 4.254606                               
ASSI { 573 }                                                                    
     ( attr rmsd >= 4.194606 and attr rmsd <= 4.314606 )                        
     (( attr rmsd >= 0.5819306 and attr rmsd <= 0.6619306 )                     
     and bondedto ( attr rmsd >= 12.39872 and attr rmsd <= 13.99872 ))
      3.6 3.6 1.4                                                               
      peak 573 ppm1 4.254606 ppm2 0.6219306 volume 7950000 weight 1.0           
REMARK dnoe: 3.102278 position 0.6219306 4.757057                               
ASSI { 574 }                                                                    
     ( attr rmsd >= 4.697057 and attr rmsd <= 4.817057 )                        
     (( attr rmsd >= 0.5819306 and attr rmsd <= 0.6619306 )                     
     and bondedto ( attr rmsd >= 12.38166 and attr rmsd <= 13.98166 ))
      3.6 3.6 1.4                                                               
      peak 574 ppm1 4.757057 ppm2 0.6219306 volume 8520000 weight 1.0           
REMARK dnoe: 3.04118 position -0.032712 6.5576                                  
ASSI { 575 }                                                                    
     ( attr rmsd >= 6.4976 and attr rmsd <= 6.6176 )                            
     (( attr rmsd >= -0.072712 and attr rmsd <= 0.007288 )                      
     and bondedto ( attr rmsd >= 12.38494 and attr rmsd <= 13.98494 ))
      3.6 3.6 1.4                                                               
      peak 575 ppm1 6.5576 ppm2 -0.032712 volume 9600000 weight 1.0             
REMARK dnoe: 3.086189 position -0.0310707 6.743938                              
ASSI { 576 }                                                                    
     ( attr rmsd >= 6.683938 and attr rmsd <= 6.803938 )                        
     (( attr rmsd >= -0.0710707 and attr rmsd <= 0.0089293 )                    
     and bondedto ( attr rmsd >= 12.37904 and attr rmsd <= 13.97904 ))
      3.6 3.6 1.4                                                               
      peak 576 ppm1 6.743938 ppm2 -0.0310707 volume 8790000 weight 1.0          
REMARK dnoe: 3.41361 position 0.6251192 8.357629                                
ASSI { 577 }                                                                    
     ( attr rmsd >= 8.297628 and attr rmsd <= 8.417629 )                        
     (( attr rmsd >= 0.5851192 and attr rmsd <= 0.6651192 )                     
     and bondedto ( attr rmsd >= 12.37269 and attr rmsd <= 13.97269 ))
      3.6 3.6 1.4                                                               
      peak 577 ppm1 8.357629 ppm2 0.6251192 volume 4800000 weight 1.0           
REMARK dnoe: 3.408891 position 0.6227512 8.461968                               
ASSI { 578 }                                                                    
     ( attr rmsd >= 8.401968 and attr rmsd <= 8.521969 )                        
     (( attr rmsd >= 0.5827512 and attr rmsd <= 0.6627512 )                     
     and bondedto ( attr rmsd >= 12.35934 and attr rmsd <= 13.95934 ))
      3.6 3.6 1.4                                                               
      peak 578 ppm1 8.461968 ppm2 0.6227512 volume 4840000 weight 1.0           
REMARK dnoe: 2.59277 position 0.6642556 0.3286839                               
ASSI { 579 }                                                                    
     ( attr rmsd >= 0.2686839 and attr rmsd <= 0.3886839 )                      
     (( attr rmsd >= 0.6242556 and attr rmsd <= 0.7042556 )                     
     and bondedto ( attr rmsd >= 11.85974 and attr rmsd <= 13.45974 ))
      3.0 3.0 0.5999999                                                         
      peak 579 ppm1 0.3286839 ppm2 0.6642556 volume 25000000 weight 1.0         
REMARK dnoe: 2.235819 position 0.6650524 0.9694812                              
ASSI { 580 }                                                                    
     ( attr rmsd >= 0.9094812 and attr rmsd <= 1.029481 )                       
     (( attr rmsd >= 0.6250524 and attr rmsd <= 0.7050524 )                     
     and bondedto ( attr rmsd >= 11.85974 and attr rmsd <= 13.45974 ))
      2.5 2.5 0.2                                                               
      peak 580 ppm1 0.9694812 ppm2 0.6650524 volume 60800000 weight 1.0         
REMARK dnoe: 2.357854 position 0.6646776 1.270149                               
ASSI { 581 }                                                                    
     ( attr rmsd >= 1.210149 and attr rmsd <= 1.330149 )                        
     (( attr rmsd >= 0.6246776 and attr rmsd <= 0.7046776 )                     
     and bondedto ( attr rmsd >= 11.87002 and attr rmsd <= 13.47002 ))
      2.5 2.5 0.2                                                               
      peak 581 ppm1 1.270149 ppm2 0.6646776 volume 44200000 weight 1.0          
REMARK dnoe: 2.550366 position 0.6639743 1.628517                               
ASSI { 582 }                                                                    
     ( attr rmsd >= 1.568517 and attr rmsd <= 1.688517 )                        
     (( attr rmsd >= 0.6239743 and attr rmsd <= 0.7039743 )                     
     and bondedto ( attr rmsd >= 11.89080 and attr rmsd <= 13.49080 ))
      3.0 3.0 0.5999999                                                         
      peak 582 ppm1 1.628517 ppm2 0.6639743 volume 27600000 weight 1.0          
REMARK dnoe: 2.887634 position 0.6650524 2.214664                               
ASSI { 583 }                                                                    
     ( attr rmsd >= 2.154664 and attr rmsd <= 2.274664 )                        
     (( attr rmsd >= 0.6250524 and attr rmsd <= 0.7050524 )                     
     and bondedto ( attr rmsd >= 11.90130 and attr rmsd <= 13.50130 ))
      3.0 3.0 0.5999999                                                         
      peak 583 ppm1 2.214664 ppm2 0.6650524 volume 13100000 weight 1.0          
REMARK dnoe: 2.751573 position 0.6647477 3.713745                               
ASSI { 584 }                                                                    
     ( attr rmsd >= 3.653745 and attr rmsd <= 3.773745 )                        
     (( attr rmsd >= 0.6247477 and attr rmsd <= 0.7047477 )                     
     and bondedto ( attr rmsd >= 11.82496 and attr rmsd <= 13.42496 ))
      3.0 3.0 0.5999999                                                         
      peak 584 ppm1 3.713745 ppm2 0.6647477 volume 17500000 weight 1.0          
REMARK dnoe: 3.027154 position 0.6639977 3.980083                               
ASSI { 585 }                                                                    
     ( attr rmsd >= 3.920083 and attr rmsd <= 4.040083 )                        
     (( attr rmsd >= 0.6239977 and attr rmsd <= 0.7039977 )                     
     and bondedto ( attr rmsd >= 11.85471 and attr rmsd <= 13.45471 ))
      3.6 3.6 1.4                                                               
      peak 585 ppm1 3.980083 ppm2 0.6639977 volume 9870000 weight 1.0           
REMARK dnoe: 3.224256 position 0.6654282 4.371857                               
ASSI { 586 }                                                                    
     ( attr rmsd >= 4.311857 and attr rmsd <= 4.431857 )                        
     (( attr rmsd >= 0.6254282 and attr rmsd <= 0.7054282 )                     
     and bondedto ( attr rmsd >= 11.83984 and attr rmsd <= 13.43984 ))
      3.6 3.6 1.4                                                               
      peak 586 ppm1 4.371857 ppm2 0.6654282 volume 6760000 weight 1.0           
REMARK dnoe: 3.133055 position 0.6673975 6.68295                                
ASSI { 587 }                                                                    
     ( attr rmsd >= 6.62295 and attr rmsd <= 6.74295 )                          
     (( attr rmsd >= 0.6273975 and attr rmsd <= 0.7073975 )                     
     and bondedto ( attr rmsd >= 11.87090 and attr rmsd <= 13.47090 ))
      3.6 3.6 1.4                                                               
      peak 587 ppm1 6.68295 ppm2 0.6673975 volume 0.803e+07 weight 1.0          
REMARK dnoe: 3.637266 position 0.66993 6.841232                                 
ASSI { 588 }                                                                    
     ( attr rmsd >= 6.781232 and attr rmsd <= 6.901232 )                        
     (( attr rmsd >= 0.62993 and attr rmsd <= 0.70993 )                         
     and bondedto ( attr rmsd >= 11.82890 and attr rmsd <= 13.42890 ))
      4.2 4.2 1.8                                                               
      peak 588 ppm1 6.841232 ppm2 0.66993 volume 3280000 weight 1.0             
REMARK dnoe: 3.716966 position 0.6673975 7.955393                               
ASSI { 589 }                                                                    
     ( attr rmsd >= 7.895393 and attr rmsd <= 8.015393 )                        
     (( attr rmsd >= 0.6273975 and attr rmsd <= 0.7073975 )                     
     and bondedto ( attr rmsd >= 11.78712 and attr rmsd <= 13.38712 ))
      4.2 4.2 1.8                                                               
      peak 589 ppm1 7.955393 ppm2 0.6673975 volume 2880000 weight 1.0           
REMARK dnoe: 3.273707 position 0.6648417 8.517114                               
ASSI { 590 }                                                                    
     ( attr rmsd >= 8.457113 and attr rmsd <= 8.577114 )                        
     (( attr rmsd >= 0.6248417 and attr rmsd <= 0.7048417 )                     
     and bondedto ( attr rmsd >= 11.91290 and attr rmsd <= 13.51290 ))
      3.6 3.6 1.4                                                               
      peak 590 ppm1 8.517114 ppm2 0.6648417 volume 6170000 weight 1.0           
REMARK dnoe: 2.597992 position 4.475642 1.175218                                
ASSI { 591 }                                                                    
     ( attr rmsd >= 1.115218 and attr rmsd <= 1.235218 )                        
     (( attr rmsd >= 4.435642 and attr rmsd <= 4.515642 )                       
     and bondedto ( attr rmsd >= 72.25845 and attr rmsd <= 73.85845 ))
      3.0 3.0 0.5999999                                                         
      peak 591 ppm1 1.175218 ppm2 4.475642 volume 24700000 weight 1.0           
REMARK dnoe: 2.784343 position 4.467951 4.999894                                
ASSI { 593 }                                                                    
     ( attr rmsd >= 4.939894 and attr rmsd <= 5.059894 )                        
     (( attr rmsd >= 4.427951 and attr rmsd <= 4.507951 )                       
     and bondedto ( attr rmsd >= 72.27377 and attr rmsd <= 73.87377 ))
      3.0 3.0 0.5999999                                                         
      peak 593 ppm1 4.999894 ppm2 4.467951 volume 16300000 weight 1.0           
REMARK dnoe: 2.930154 position 4.468771 9.447386                                
ASSI { 594 }                                                                    
     ( attr rmsd >= 9.387385 and attr rmsd <= 9.507386 )                        
     (( attr rmsd >= 4.428771 and attr rmsd <= 4.508771 )                       
     and bondedto ( attr rmsd >= 72.28952 and attr rmsd <= 73.88952 ))
      3.0 3.0 0.5999999                                                         
      peak 594 ppm1 9.447386 ppm2 4.468771 volume 12000000 weight 1.0           
REMARK dnoe: 3.671643 position 4.468396 8.631508                                
ASSI { 595 }                                                                    
     ( attr rmsd >= 8.571507 and attr rmsd <= 8.691508 )                        
     (( attr rmsd >= 4.428396 and attr rmsd <= 4.508396 )                       
     and bondedto ( attr rmsd >= 72.27267 and attr rmsd <= 73.87267 ))
      4.2 4.2 1.8                                                               
      peak 595 ppm1 8.631508 ppm2 4.468396 volume 3100000 weight 1.0            
REMARK dnoe: 2.906424 position 4.112092 0.6759462                               
ASSI { 596 }                                                                    
     ( attr rmsd >= 0.6159462 and attr rmsd <= 0.7359462 )                      
     (( attr rmsd >= 4.072092 and attr rmsd <= 4.152092 )                       
     and bondedto ( attr rmsd >= 70.39585 and attr rmsd <= 71.99585 ))
      3.0 3.0 0.5999999                                                         
      peak 596 ppm1 0.6759462 ppm2 4.112092 volume 12600000 weight 1.0          
REMARK dnoe: 2.464454 position 4.112233 1.274509                                
ASSI { 597 }                                                                    
     ( attr rmsd >= 1.214509 and attr rmsd <= 1.334509 )                        
     (( attr rmsd >= 4.072233 and attr rmsd <= 4.152233 )                       
     and bondedto ( attr rmsd >= 70.34642 and attr rmsd <= 71.94642 ))
      2.5 2.5 0.2                                                               
      peak 597 ppm1 1.274509 ppm2 4.112233 volume 33900000 weight 1.0           
REMARK dnoe: 2.866161 position 4.113992 2.034125                                
ASSI { 598 }                                                                    
     ( attr rmsd >= 1.974125 and attr rmsd <= 2.094125 )                        
     (( attr rmsd >= 4.073992 and attr rmsd <= 4.153992 )                       
     and bondedto ( attr rmsd >= 70.34642 and attr rmsd <= 71.94642 ))
      3.0 3.0 0.5999999                                                         
      peak 598 ppm1 2.034125 ppm2 4.113992 volume 13699999 weight 1.0           
REMARK dnoe: 2.640661 position 4.112772 4.699248                                
ASSI { 599 }                                                                    
     ( attr rmsd >= 4.639248 and attr rmsd <= 4.759248 )                        
     (( attr rmsd >= 4.072772 and attr rmsd <= 4.152772 )                       
     and bondedto ( attr rmsd >= 70.47810 and attr rmsd <= 72.07810 ))
      3.0 3.0 0.5999999                                                         
      peak 599 ppm1 4.699248 ppm2 4.112772 volume 22400000 weight 1.0           
REMARK dnoe: 2.996096 position 4.111647 8.918104                                
ASSI { 600 }                                                                    
     ( attr rmsd >= 8.858104 and attr rmsd <= 8.978105 )                        
     (( attr rmsd >= 4.071647 and attr rmsd <= 4.151647 )                       
     and bondedto ( attr rmsd >= 70.41816 and attr rmsd <= 72.01816 ))
      3.0 3.0 0.5999999                                                         
      peak 600 ppm1 8.918104 ppm2 4.111647 volume 10500000 weight 1.0           
REMARK dnoe: 3.472744 position 4.111389 9.211466                                
ASSI { 601 }                                                                    
     ( attr rmsd >= 9.151465 and attr rmsd <= 9.271466 )                        
     (( attr rmsd >= 4.071389 and attr rmsd <= 4.151389 )                       
     and bondedto ( attr rmsd >= 70.36567 and attr rmsd <= 71.96567 ))
      3.6 3.6 1.4                                                               
      peak 601 ppm1 9.211466 ppm2 4.111389 volume 4330000 weight 1.0            
REMARK dnoe: 2.435401 position 3.645884 0.8969784                               
ASSI { 602 }                                                                    
     ( attr rmsd >= 0.8369784 and attr rmsd <= 0.9569784 )                      
     (( attr rmsd >= 3.605884 and attr rmsd <= 3.685884 )                       
     and bondedto ( attr rmsd >= 69.84681 and attr rmsd <= 71.44681 ))
      2.5 2.5 0.2                                                               
      peak 602 ppm1 0.8969784 ppm2 3.645884 volume 36400000 weight 1.0          
REMARK dnoe: 2.21506 position 4.233088 1.154531                                 
ASSI { 603 }                                                                    
     ( attr rmsd >= 1.094531 and attr rmsd <= 1.214531 )                        
     (( attr rmsd >= 4.193088 and attr rmsd <= 4.273088 )                       
     and bondedto ( attr rmsd >= 69.77047 and attr rmsd <= 71.37047 ))
      2.5 2.5 0.2                                                               
      peak 603 ppm1 1.154531 ppm2 4.233088 volume 64300000 weight 1.0           
REMARK dnoe: 2.124503 position 4.319403 1.13771                                 
ASSI { 604 }                                                                    
     ( attr rmsd >= 1.07771 and attr rmsd <= 1.19771 )                          
     (( attr rmsd >= 4.279403 and attr rmsd <= 4.359403 )                       
     and bondedto ( attr rmsd >= 69.42135 and attr rmsd <= 71.02135 ))
      2.5 2.5 0.2                                                               
      peak 604 ppm1 1.13771 ppm2 4.319403 volume 82600000 weight 1.0            
REMARK dnoe: 2.58762 position 3.973182 1.06845                                  
ASSI { 605 }                                                                    
     ( attr rmsd >= 1.00845 and attr rmsd <= 1.12845 )                          
     (( attr rmsd >= 3.933182 and attr rmsd <= 4.013182 )                       
     and bondedto ( attr rmsd >= 69.86015 and attr rmsd <= 71.46015 ))
      3.0 3.0 0.5999999                                                         
      peak 605 ppm1 1.06845 ppm2 3.973182 volume 25300000 weight 1.0            
REMARK dnoe: 3.210937 position 3.646798 4.120922                                
ASSI { 606 }                                                                    
     ( attr rmsd >= 4.060922 and attr rmsd <= 4.180922 )                        
     (( attr rmsd >= 3.606798 and attr rmsd <= 3.686798 )                       
     and bondedto ( attr rmsd >= 69.84637 and attr rmsd <= 71.44637 ))
      3.6 3.6 1.4                                                               
      peak 606 ppm1 4.120922 ppm2 3.646798 volume 6930000 weight 1.0            
REMARK dnoe: 2.404484 position 4.230696 4.57001                                 
ASSI { 609 }                                                                    
     ( attr rmsd >= 4.51001 and attr rmsd <= 4.63001 )                          
     (( attr rmsd >= 4.190696 and attr rmsd <= 4.270696 )                       
     and bondedto ( attr rmsd >= 69.81443 and attr rmsd <= 71.41443 ))
      2.5 2.5 0.2                                                               
      peak 609 ppm1 4.57001 ppm2 4.230696 volume 39300000 weight 1.0            
REMARK dnoe: 3.569793 position 3.645907 7.36117                                 
ASSI { 610 }                                                                    
     ( attr rmsd >= 7.30117 and attr rmsd <= 7.42117 )                          
     (( attr rmsd >= 3.605907 and attr rmsd <= 3.685907 )                       
     and bondedto ( attr rmsd >= 69.76522 and attr rmsd <= 71.36522 ))
      3.6 3.6 1.4                                                               
      peak 610 ppm1 7.36117 ppm2 3.645907 volume 0.367e+07 weight 1.0           
REMARK dnoe: 3.344162 position 3.646399 8.054427                                
ASSI { 611 }                                                                    
     ( attr rmsd >= 7.994427 and attr rmsd <= 8.114428 )                        
     (( attr rmsd >= 3.606399 and attr rmsd <= 3.686399 )                       
     and bondedto ( attr rmsd >= 69.91287 and attr rmsd <= 71.51287 ))
      3.6 3.6 1.4                                                               
      peak 611 ppm1 8.054427 ppm2 3.646399 volume 5430000 weight 1.0            
REMARK dnoe: 2.394435 position 4.125153 1.176292                                
ASSI { 612 }                                                                    
     ( attr rmsd >= 1.116292 and attr rmsd <= 1.236292 )                        
     (( attr rmsd >= 4.085153 and attr rmsd <= 4.165153 )                       
     and bondedto ( attr rmsd >= 69.13873 and attr rmsd <= 70.73873 ))
      2.5 2.5 0.2                                                               
      peak 612 ppm1 1.176292 ppm2 4.125153 volume 40300000 weight 1.0           
REMARK dnoe: 2.891324 position 4.123114 3.650672                                
ASSI { 613 }                                                                    
     ( attr rmsd >= 3.590672 and attr rmsd <= 3.710672 )                        
     (( attr rmsd >= 4.083114 and attr rmsd <= 4.163114 )                       
     and bondedto ( attr rmsd >= 69.12802 and attr rmsd <= 70.72802 ))
      3.0 3.0 0.5999999                                                         
      peak 613 ppm1 3.650672 ppm2 4.123114 volume 13000000 weight 1.0           
REMARK dnoe: 2.996096 position 4.129163 3.79961                                 
ASSI { 614 }                                                                    
     ( attr rmsd >= 3.73961 and attr rmsd <= 3.85961 )                          
     (( attr rmsd >= 4.089163 and attr rmsd <= 4.169163 )                       
     and bondedto ( attr rmsd >= 69.21661 and attr rmsd <= 70.81661 ))
      3.0 3.0 0.5999999                                                         
      peak 614 ppm1 3.79961 ppm2 4.129163 volume 10500000 weight 1.0            
REMARK dnoe: 2.158477 position 4.321631 4.47798                                 
ASSI { 615 }                                                                    
     ( attr rmsd >= 4.41798 and attr rmsd <= 4.53798 )                          
     (( attr rmsd >= 4.281631 and attr rmsd <= 4.361631 )                       
     and bondedto ( attr rmsd >= 69.40341 and attr rmsd <= 71.00341 ))
      2.5 2.5 0.2                                                               
      peak 615 ppm1 4.47798 ppm2 4.321631 volume 75100000 weight 1.0            
REMARK dnoe: 2.667106 position 4.126466 4.584403                                
ASSI { 616 }                                                                    
     ( attr rmsd >= 4.524403 and attr rmsd <= 4.644403 )                        
     (( attr rmsd >= 4.086466 and attr rmsd <= 4.166466 )                       
     and bondedto ( attr rmsd >= 69.13873 and attr rmsd <= 70.73873 ))
      3.0 3.0 0.5999999                                                         
      peak 616 ppm1 4.584403 ppm2 4.126466 volume 21100000 weight 1.0           
REMARK dnoe: 2.615949 position 3.96868 8.504117                                 
ASSI { 617 }                                                                    
     ( attr rmsd >= 8.444117 and attr rmsd <= 8.564117 )                        
     (( attr rmsd >= 3.92868 and attr rmsd <= 4.00868 )                         
     and bondedto ( attr rmsd >= 68.85502 and attr rmsd <= 70.45502 ))
      3.0 3.0 0.5999999                                                         
      peak 617 ppm1 8.504117 ppm2 3.96868 volume 23700000 weight 1.0            
REMARK dnoe: 3.050789 position 3.970133 1.498012                                
ASSI { 618 }                                                                    
     ( attr rmsd >= 1.438012 and attr rmsd <= 1.558012 )                        
     (( attr rmsd >= 3.930133 and attr rmsd <= 4.010133 )                       
     and bondedto ( attr rmsd >= 68.88696 and attr rmsd <= 70.48696 ))
      3.6 3.6 1.4                                                               
      peak 618 ppm1 1.498012 ppm2 3.970133 volume 9420000 weight 1.0            
REMARK dnoe: 2.352561 position 3.972033 1.075905                                
ASSI { 619 }                                                                    
     ( attr rmsd >= 1.015905 and attr rmsd <= 1.135905 )                        
     (( attr rmsd >= 3.932033 and attr rmsd <= 4.012033 )                       
     and bondedto ( attr rmsd >= 68.81259 and attr rmsd <= 70.41259 ))
      2.5 2.5 0.2                                                               
      peak 619 ppm1 1.075905 ppm2 3.972033 volume 44800000 weight 1.0           
REMARK dnoe: 3.566561 position 3.97154 9.017845                                 
ASSI { 620 }                                                                    
     ( attr rmsd >= 8.957845 and attr rmsd <= 9.077846 )                        
     (( attr rmsd >= 3.93154 and attr rmsd <= 4.01154 )                         
     and bondedto ( attr rmsd >= 68.78809 and attr rmsd <= 70.38809 ))
      3.6 3.6 1.4                                                               
      peak 620 ppm1 9.017845 ppm2 3.97154 volume 3690000 weight 1.0             
REMARK dnoe: 2.634812 position 4.315135 1.158998                                
ASSI { 621 }                                                                    
     ( attr rmsd >= 1.098998 and attr rmsd <= 1.218998 )                        
     (( attr rmsd >= 4.275135 and attr rmsd <= 4.355135 )                       
     and bondedto ( attr rmsd >= 68.53238 and attr rmsd <= 70.13238 ))
      3.0 3.0 0.5999999                                                         
      peak 621 ppm1 1.158998 ppm2 4.315135 volume 22700000 weight 1.0           
REMARK dnoe: 2.419065 position 2.848227 2.487575                                
ASSI { 622 }                                                                    
     ( attr rmsd >= 2.427575 and attr rmsd <= 2.547575 )                        
     (( attr rmsd >= 2.808227 and attr rmsd <= 2.888227 )                       
     and bondedto ( attr rmsd >= 40.35722 and attr rmsd <= 41.95722 ))
      2.5 2.5 0.2                                                               
      peak 622 ppm1 2.487575 ppm2 2.848227 volume 37900000 weight 1.0           
REMARK dnoe: 2.402451 position 2.496214 2.851529                                
ASSI { 623 }                                                                    
     ( attr rmsd >= 2.791529 and attr rmsd <= 2.911529 )                        
     (( attr rmsd >= 2.456214 and attr rmsd <= 2.536214 )                       
     and bondedto ( attr rmsd >= 40.36553 and attr rmsd <= 41.96553 ))
      2.5 2.5 0.2                                                               
      peak 623 ppm1 2.851529 ppm2 2.496214 volume 39500000 weight 1.0           
REMARK dnoe: 3.070102 position 1.914169 1.563232                                
ASSI { 624 }                                                                    
     ( attr rmsd >= 1.503232 and attr rmsd <= 1.623232 )                        
     (( attr rmsd >= 1.874169 and attr rmsd <= 1.954169 )                       
     and bondedto ( attr rmsd >= 40.37931 and attr rmsd <= 41.97931 ))
      3.6 3.6 1.4                                                               
      peak 624 ppm1 1.563232 ppm2 1.914169 volume 9070000 weight 1.0            
REMARK dnoe: 2.470565 position 1.65227 1.891697                                 
ASSI { 625 }                                                                    
     ( attr rmsd >= 1.831697 and attr rmsd <= 1.951697 )                        
     (( attr rmsd >= 1.61227 and attr rmsd <= 1.69227 )                         
     and bondedto ( attr rmsd >= 40.18573 and attr rmsd <= 41.78573 ))
      2.5 2.5 0.2                                                               
      peak 625 ppm1 1.891697 ppm2 1.65227 volume 33400000 weight 1.0            
REMARK dnoe: 2.544257 position 1.632549 1.372941                                
ASSI { 626 }                                                                    
     ( attr rmsd >= 1.312941 and attr rmsd <= 1.432941 )                        
     (( attr rmsd >= 1.592549 and attr rmsd <= 1.672549 )                       
     and bondedto ( attr rmsd >= 40.21460 and attr rmsd <= 41.81460 ))
      3.0 3.0 0.5999999                                                         
      peak 626 ppm1 1.372941 ppm2 1.632549 volume 28000000 weight 1.0           
REMARK dnoe: 2.567712 position 1.631494 1.040652                                
ASSI { 627 }                                                                    
     ( attr rmsd >= 0.980652 and attr rmsd <= 1.100652 )                        
     (( attr rmsd >= 1.591494 and attr rmsd <= 1.671494 )                       
     and bondedto ( attr rmsd >= 40.22182 and attr rmsd <= 41.82182 ))
      3.0 3.0 0.5999999                                                         
      peak 627 ppm1 1.040652 ppm2 1.631494 volume 26499998 weight 1.0           
REMARK dnoe: 2.054473 position 1.647884 0.6719079                               
ASSI { 628 }                                                                    
     ( attr rmsd >= 0.6119079 and attr rmsd <= 0.7319079 )                      
     (( attr rmsd >= 1.607884 and attr rmsd <= 1.687884 )                       
     and bondedto ( attr rmsd >= 40.19251 and attr rmsd <= 41.79251 ))
      2.5 2.5 0.2                                                               
      peak 628 ppm1 0.6719079 ppm2 1.647884 volume 101000000 weight 1.0         
REMARK dnoe: 2.682145 position 1.583588 1.907379                                
ASSI { 629 }                                                                    
     ( attr rmsd >= 1.847379 and attr rmsd <= 1.967379 )                        
     (( attr rmsd >= 1.543588 and attr rmsd <= 1.623588 )                       
     and bondedto ( attr rmsd >= 40.37035 and attr rmsd <= 41.97035 ))
      3.0 3.0 0.5999999                                                         
      peak 629 ppm1 1.907379 ppm2 1.583588 volume 20400000 weight 1.0           
REMARK dnoe: 3.054584 position 2.853011 0.2875023                               
ASSI { 630 }                                                                    
     ( attr rmsd >= 0.2275023 and attr rmsd <= 0.3475023 )                      
     (( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )                       
     and bondedto ( attr rmsd >= 40.41169 and attr rmsd <= 42.01169 ))
      3.6 3.6 1.4                                                               
      peak 630 ppm1 0.2875023 ppm2 2.853011 volume 9350000 weight 1.0           
REMARK dnoe: 3.102885 position 2.500833 0.2711973                               
ASSI { 631 }                                                                    
     ( attr rmsd >= 0.2111973 and attr rmsd <= 0.3311973 )                      
     (( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )                       
     and bondedto ( attr rmsd >= 40.50531 and attr rmsd <= 42.10531 ))
      3.6 3.6 1.4                                                               
      peak 631 ppm1 0.2711973 ppm2 2.500833 volume 8510000 weight 1.0           
REMARK dnoe: 2.515169 position 2.500833 0.6027131                               
ASSI { 632 }                                                                    
     ( attr rmsd >= 0.5427131 and attr rmsd <= 0.6627131 )                      
     (( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )                       
     and bondedto ( attr rmsd >= 40.43028 and attr rmsd <= 42.03028 ))
      3.0 3.0 0.5999999                                                         
      peak 632 ppm1 0.6027131 ppm2 2.500833 volume 30000002 weight 1.0          
REMARK dnoe: 2.536763 position 2.853011 0.6002212                               
ASSI { 633 }                                                                    
     ( attr rmsd >= 0.5402212 and attr rmsd <= 0.6602212 )                      
     (( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )                       
     and bondedto ( attr rmsd >= 40.36160 and attr rmsd <= 41.96160 ))
      3.0 3.0 0.5999999                                                         
      peak 633 ppm1 0.6002212 ppm2 2.853011 volume 28500000 weight 1.0          
REMARK dnoe: 3.179602 position 2.853011 0.8196633                               
ASSI { 634 }                                                                    
     ( attr rmsd >= 0.7596633 and attr rmsd <= 0.8796633 )                      
     (( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )                       
     and bondedto ( attr rmsd >= 40.37406 and attr rmsd <= 41.97406 ))
      3.6 3.6 1.4                                                               
      peak 634 ppm1 0.8196633 ppm2 2.853011 volume 7350000 weight 1.0           
REMARK dnoe: 3.102278 position 2.500833 0.8068814                               
ASSI { 635 }                                                                    
     ( attr rmsd >= 0.7468814 and attr rmsd <= 0.8668814 )                      
     (( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )                       
     and bondedto ( attr rmsd >= 40.23473 and attr rmsd <= 41.83473 ))
      3.6 3.6 1.4                                                               
      peak 635 ppm1 0.8068814 ppm2 2.500833 volume 8520000 weight 1.0           
REMARK dnoe: 3.467425 position 2.500833 0.9978807                               
ASSI { 636 }                                                                    
     ( attr rmsd >= 0.9378807 and attr rmsd <= 1.057881 )                       
     (( attr rmsd >= 2.460833 and attr rmsd <= 2.540833 )                       
     and bondedto ( attr rmsd >= 40.40775 and attr rmsd <= 42.00775 ))
      3.6 3.6 1.4                                                               
      peak 636 ppm1 0.9978807 ppm2 2.500833 volume 4370000 weight 1.0           
REMARK dnoe: 3.479472 position 2.853011 0.9915648                               
ASSI { 637 }                                                                    
     ( attr rmsd >= 0.9315648 and attr rmsd <= 1.051565 )                       
     (( attr rmsd >= 2.813011 and attr rmsd <= 2.893011 )                       
     and bondedto ( attr rmsd >= 40.37406 and attr rmsd <= 41.97406 ))
      3.6 3.6 1.4                                                               
      peak 637 ppm1 0.9915648 ppm2 2.853011 volume 4280000 weight 1.0           
REMARK dnoe: 3.5293 position 2.855637 1.416593                                  
ASSI { 644 }                                                                    
     ( attr rmsd >= 4.295272 and attr rmsd <= 4.415272 )                        
     (( attr rmsd >= 2.808532 and attr rmsd <= 2.888532 )                       
     and bondedto ( attr rmsd >= 40.36728 and attr rmsd <= 41.96728 ))
      3.0 3.0 0.5999999                                                         
      peak 644 ppm1 4.355272 ppm2 2.848532 volume 17700000 weight 1.0           
REMARK dnoe: 2.873195 position 2.496144 4.352265                                
ASSI { 645 }                                                                    
     ( attr rmsd >= 4.292265 and attr rmsd <= 4.412265 )                        
     (( attr rmsd >= 2.456144 and attr rmsd <= 2.536144 )                       
     and bondedto ( attr rmsd >= 40.41191 and attr rmsd <= 42.01191 ))
      3.0 3.0 0.5999999                                                         
      peak 645 ppm1 4.352265 ppm2 2.496144 volume 13500001 weight 1.0           
REMARK dnoe: 2.902597 position 1.647041 4.735166                                
ASSI { 648 }                                                                    
     ( attr rmsd >= 4.675166 and attr rmsd <= 4.795166 )                        
     (( attr rmsd >= 1.607041 and attr rmsd <= 1.687041 )                       
     and bondedto ( attr rmsd >= 40.23188 and attr rmsd <= 41.83188 ))
      3.0 3.0 0.5999999                                                         
      peak 648 ppm1 4.735166 ppm2 1.647041 volume 12700000 weight 1.0           
REMARK dnoe: 3.388208 position 1.632362 9.875744                                
ASSI { 649 }                                                                    
     ( attr rmsd >= 9.815743 and attr rmsd <= 9.935744 )                        
     (( attr rmsd >= 1.592362 and attr rmsd <= 1.672362 )                       
     and bondedto ( attr rmsd >= 40.20869 and attr rmsd <= 41.80869 ))
      3.6 3.6 1.4                                                               
      peak 649 ppm1 9.875744 ppm2 1.632362 volume 0.502e+07 weight 1.0          
REMARK dnoe: 2.898805 position 1.642819 9.210908                                
ASSI { 650 }                                                                    
     ( attr rmsd >= 9.150908 and attr rmsd <= 9.270908 )                        
     (( attr rmsd >= 1.602819 and attr rmsd <= 1.682819 )                       
     and bondedto ( attr rmsd >= 40.27804 and attr rmsd <= 41.87804 ))
      3.0 3.0 0.5999999                                                         
      peak 650 ppm1 9.210908 ppm2 1.642819 volume 12800001 weight 1.0           
REMARK dnoe: 3.216375 position 2.850384 7.875801                                
ASSI { 651 }                                                                    
     ( attr rmsd >= 7.815801 and attr rmsd <= 7.935801 )                        
     (( attr rmsd >= 2.810384 and attr rmsd <= 2.890384 )                       
     and bondedto ( attr rmsd >= 40.41322 and attr rmsd <= 42.01322 ))
      3.6 3.6 1.4                                                               
      peak 651 ppm1 7.875801 ppm2 2.850384 volume 6860000 weight 1.0            
REMARK dnoe: 3.220299 position 2.497222 7.878271                                
ASSI { 652 }                                                                    
     ( attr rmsd >= 7.818271 and attr rmsd <= 7.938271 )                        
     (( attr rmsd >= 2.457222 and attr rmsd <= 2.537222 )                       
     and bondedto ( attr rmsd >= 40.36466 and attr rmsd <= 41.96466 ))
      3.6 3.6 1.4                                                               
      peak 652 ppm1 7.878271 ppm2 2.497222 volume 6810000 weight 1.0            
REMARK dnoe: 2.770357 position 2.849024 6.723079                                
ASSI { 653 }                                                                    
     ( attr rmsd >= 6.663079 and attr rmsd <= 6.783079 )                        
     (( attr rmsd >= 2.809024 and attr rmsd <= 2.889024 )                       
     and bondedto ( attr rmsd >= 40.36816 and attr rmsd <= 41.96816 ))
      3.0 3.0 0.5999999                                                         
      peak 653 ppm1 6.723079 ppm2 2.849024 volume 16800000 weight 1.0           
REMARK dnoe: 2.731149 position 2.495089 6.721747                                
ASSI { 654 }                                                                    
     ( attr rmsd >= 6.661747 and attr rmsd <= 6.781747 )                        
     (( attr rmsd >= 2.455089 and attr rmsd <= 2.535089 )                       
     and bondedto ( attr rmsd >= 40.35241 and attr rmsd <= 41.95241 ))
      3.0 3.0 0.5999999                                                         
      peak 654 ppm1 6.721747 ppm2 2.495089 volume 18300000 weight 1.0           
REMARK dnoe: 3.088536 position 3.315725 8.587598                                
ASSI { 655 }                                                                    
     ( attr rmsd >= 8.527597 and attr rmsd <= 8.647598 )                        
     (( attr rmsd >= 3.275725 and attr rmsd <= 3.355725 )                       
     and bondedto ( attr rmsd >= 39.19351 and attr rmsd <= 40.79351 ))
      3.6 3.6 1.4                                                               
      peak 655 ppm1 8.587598 ppm2 3.315725 volume 8750000 weight 1.0            
REMARK dnoe: 2.996096 position 3.131981 8.587318                                
ASSI { 656 }                                                                    
     ( attr rmsd >= 8.527318 and attr rmsd <= 8.647319 )                        
     (( attr rmsd >= 3.091981 and attr rmsd <= 3.171981 )                       
     and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
      3.0 3.0 0.5999999                                                         
      peak 656 ppm1 8.587318 ppm2 3.131981 volume 10500000 weight 1.0           
REMARK dnoe: 2.726206 position 3.318188 6.914831                                
ASSI { 657 }                                                                    
     ( attr rmsd >= 6.854831 and attr rmsd <= 6.974831 )                        
     (( attr rmsd >= 3.278188 and attr rmsd <= 3.358188 )                       
     and bondedto ( attr rmsd >= 39.19351 and attr rmsd <= 40.79351 ))
      3.0 3.0 0.5999999                                                         
      peak 657 ppm1 6.914831 ppm2 3.318188 volume 18500000 weight 1.0           
REMARK dnoe: 2.7872 position 3.134419 6.917967                                  
ASSI { 658 }                                                                    
     ( attr rmsd >= 6.857967 and attr rmsd <= 6.977967 )                        
     (( attr rmsd >= 3.094419 and attr rmsd <= 3.174419 )                       
     and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
      3.0 3.0 0.5999999                                                         
      peak 658 ppm1 6.917967 ppm2 3.134419 volume 16200000 weight 1.0           
REMARK dnoe: 3.31336 position 2.060958 9.232347                                 
ASSI { 659 }                                                                    
     ( attr rmsd >= 9.172346 and attr rmsd <= 9.292347 )                        
     (( attr rmsd >= 2.020958 and attr rmsd <= 2.100958 )                       
     and bondedto ( attr rmsd >= 39.49821 and attr rmsd <= 41.09821 ))
      3.6 3.6 1.4                                                               
      peak 659 ppm1 9.232347 ppm2 2.060958 volume 5740000 weight 1.0            
REMARK dnoe: 2.986689 position 2.071159 9.039178                                
ASSI { 660 }                                                                    
     ( attr rmsd >= 8.979177 and attr rmsd <= 9.099178 )                        
     (( attr rmsd >= 2.031159 and attr rmsd <= 2.111159 )                       
     and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
      3.0 3.0 0.5999999                                                         
      peak 660 ppm1 9.039178 ppm2 2.071159 volume 10700000 weight 1.0           
REMARK dnoe: 2.951012 position 1.683621 9.00775                                 
ASSI { 661 }                                                                    
     ( attr rmsd >= 8.947749 and attr rmsd <= 9.06775 )                         
     (( attr rmsd >= 1.643621 and attr rmsd <= 1.723621 )                       
     and bondedto ( attr rmsd >= 39.35516 and attr rmsd <= 40.95516 ))
      3.0 3.0 0.5999999                                                         
      peak 661 ppm1 9.00775 ppm2 1.683621 volume 11500000 weight 1.0            
REMARK dnoe: 3.384845 position 1.683621 8.623816                                
ASSI { 662 }                                                                    
     ( attr rmsd >= 8.563815 and attr rmsd <= 8.683816 )                        
     (( attr rmsd >= 1.643621 and attr rmsd <= 1.723621 )                       
     and bondedto ( attr rmsd >= 39.44747 and attr rmsd <= 41.04747 ))
      3.6 3.6 1.4                                                               
      peak 662 ppm1 8.623816 ppm2 1.683621 volume 5050000 weight 1.0            
REMARK dnoe: 3.206327 position 0.8541205 9.236752                               
ASSI { 663 }                                                                    
     ( attr rmsd >= 9.176751 and attr rmsd <= 9.296752 )                        
     (( attr rmsd >= 0.8141205 and attr rmsd <= 0.8941205 )                     
     and bondedto ( attr rmsd >= 39.51659 and attr rmsd <= 41.11659 ))
      3.6 3.6 1.4                                                               
      peak 663 ppm1 9.236752 ppm2 0.8541205 volume 6990000 weight 1.0           
REMARK dnoe: 3.121501 position 0.8575203 9.039178                               
ASSI { 664 }                                                                    
     ( attr rmsd >= 8.979177 and attr rmsd <= 9.099178 )                        
     (( attr rmsd >= 0.8175203 and attr rmsd <= 0.8975203 )                     
     and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
      3.6 3.6 1.4                                                               
      peak 664 ppm1 9.039178 ppm2 0.8575203 volume 8210000 weight 1.0           
REMARK dnoe: 3.05025 position 0.8541205 6.881555                                
ASSI { 665 }                                                                    
     ( attr rmsd >= 6.821555 and attr rmsd <= 6.941555 )                        
     (( attr rmsd >= 0.8141205 and attr rmsd <= 0.8941205 )                     
     and bondedto ( attr rmsd >= 39.47044 and attr rmsd <= 41.07044 ))
      3.6 3.6 1.4                                                               
      peak 665 ppm1 6.881555 ppm2 0.8541205 volume 9430000 weight 1.0           
REMARK dnoe: 3.049711 position 0.8541205 6.576204                               
ASSI { 666 }                                                                    
     ( attr rmsd >= 6.516204 and attr rmsd <= 6.636204 )                        
     (( attr rmsd >= 0.8141205 and attr rmsd <= 0.8941205 )                     
     and bondedto ( attr rmsd >= 39.42428 and attr rmsd <= 41.02428 ))
      3.6 3.6 1.4                                                               
      peak 666 ppm1 6.576204 ppm2 0.8541205 volume 9440000 weight 1.0           
REMARK dnoe: 3.153681 position 1.683621 6.85236                                 
ASSI { 667 }                                                                    
     ( attr rmsd >= 6.79236 and attr rmsd <= 6.91236 )                          
     (( attr rmsd >= 1.643621 and attr rmsd <= 1.723621 )                       
     and bondedto ( attr rmsd >= 39.42428 and attr rmsd <= 41.02428 ))
      3.6 3.6 1.4                                                               
      peak 667 ppm1 6.85236 ppm2 1.683621 volume 7720000 weight 1.0             
REMARK dnoe: 2.996096 position 2.067477 6.89279                                 
ASSI { 668 }                                                                    
     ( attr rmsd >= 6.83279 and attr rmsd <= 6.95279 )                          
     (( attr rmsd >= 2.027477 and attr rmsd <= 2.107477 )                       
     and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
      3.0 3.0 0.5999999                                                         
      peak 668 ppm1 6.89279 ppm2 2.067477 volume 10500000 weight 1.0            
REMARK dnoe: 3.177444 position 2.074558 6.753584                                
ASSI { 669 }                                                                    
     ( attr rmsd >= 6.693584 and attr rmsd <= 6.813584 )                        
     (( attr rmsd >= 2.034558 and attr rmsd <= 2.114558 )                       
     and bondedto ( attr rmsd >= 39.44747 and attr rmsd <= 41.04747 ))
      3.6 3.6 1.4                                                               
      peak 669 ppm1 6.753584 ppm2 2.074558 volume 7380000 weight 1.0            
REMARK dnoe: 2.810826 position 2.074558 6.57846                                 
ASSI { 670 }                                                                    
     ( attr rmsd >= 6.51846 and attr rmsd <= 6.63846 )                          
     (( attr rmsd >= 2.034558 and attr rmsd <= 2.114558 )                       
     and bondedto ( attr rmsd >= 39.47044 and attr rmsd <= 41.07044 ))
      3.0 3.0 0.5999999                                                         
      peak 670 ppm1 6.57846 ppm2 2.074558 volume 15400000 weight 1.0            
REMARK dnoe: 3.202521 position 2.068649 6.434829                                
ASSI { 671 }                                                                    
     ( attr rmsd >= 6.374829 and attr rmsd <= 6.494829 )                        
     (( attr rmsd >= 2.028649 and attr rmsd <= 2.108649 )                       
     and bondedto ( attr rmsd >= 39.53956 and attr rmsd <= 41.13956 ))
      3.6 3.6 1.4                                                               
      peak 671 ppm1 6.434829 ppm2 2.068649 volume 7040000 weight 1.0            
REMARK dnoe: 3.813331 position 0.858341 6.422928                                
ASSI { 672 }                                                                    
     ( attr rmsd >= 6.362928 and attr rmsd <= 6.482928 )                        
     (( attr rmsd >= 0.818341 and attr rmsd <= 0.898341 )                       
     and bondedto ( attr rmsd >= 39.56275 and attr rmsd <= 41.16275 ))
      4.2 4.2 1.8                                                               
      peak 672 ppm1 6.422928 ppm2 0.858341 volume 2470000 weight 1.0            
REMARK dnoe: 2.741228 position 3.308526 4.940086                                
ASSI { 673 }                                                                    
     ( attr rmsd >= 4.880086 and attr rmsd <= 5.000086 )                        
     (( attr rmsd >= 3.268526 and attr rmsd <= 3.348526 )                       
     and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
      3.0 3.0 0.5999999                                                         
      peak 673 ppm1 4.940086 ppm2 3.308526 volume 17900000 weight 1.0           
REMARK dnoe: 2.767618 position 3.134607 4.957423                                
ASSI { 674 }                                                                    
     ( attr rmsd >= 4.897423 and attr rmsd <= 5.017423 )                        
     (( attr rmsd >= 3.094607 and attr rmsd <= 3.174607 )                       
     and bondedto ( attr rmsd >= 39.14735 and attr rmsd <= 40.74735 ))
      3.0 3.0 0.5999999                                                         
      peak 674 ppm1 4.957423 ppm2 3.134607 volume 16900000 weight 1.0           
REMARK dnoe: 3.530799 position 1.681862 4.257614                                
ASSI { 676 }                                                                    
     ( attr rmsd >= 4.197614 and attr rmsd <= 4.317614 )                        
     (( attr rmsd >= 1.641862 and attr rmsd <= 1.721862 )                       
     and bondedto ( attr rmsd >= 39.42428 and attr rmsd <= 41.02428 ))
      3.6 3.6 1.4                                                               
      peak 676 ppm1 4.257614 ppm2 1.681862 volume 3920000 weight 1.0            
REMARK dnoe: 3.112717 position 2.069259 4.423973                                
ASSI { 677 }                                                                    
     ( attr rmsd >= 4.363973 and attr rmsd <= 4.483973 )                        
     (( attr rmsd >= 2.029259 and attr rmsd <= 2.109259 )                       
     and bondedto ( attr rmsd >= 39.40131 and attr rmsd <= 41.00131 ))
      3.6 3.6 1.4                                                               
      peak 677 ppm1 4.423973 ppm2 2.069259 volume 8350000 weight 1.0            
REMARK dnoe: 3.429266 position 1.667276 3.801242                                
ASSI { 678 }                                                                    
     ( attr rmsd >= 3.741242 and attr rmsd <= 3.861242 )                        
     (( attr rmsd >= 1.627276 and attr rmsd <= 1.707276 )                       
     and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
      3.6 3.6 1.4                                                               
      peak 678 ppm1 3.801242 ppm2 1.667276 volume 4670000 weight 1.0            
REMARK dnoe: 3.338043 position 0.8549414 4.443716                               
ASSI { 679 }                                                                    
     ( attr rmsd >= 4.383716 and attr rmsd <= 4.503716 )                        
     (( attr rmsd >= 0.8149414 and attr rmsd <= 0.8949414 )                     
     and bondedto ( attr rmsd >= 39.49340 and attr rmsd <= 41.09340 ))
      3.6 3.6 1.4                                                               
      peak 679 ppm1 4.443716 ppm2 0.8549414 volume 5490000 weight 1.0           
REMARK dnoe: 3.355589 position 0.8507907 4.003069                               
ASSI { 680 }                                                                    
     ( attr rmsd >= 3.943069 and attr rmsd <= 4.063069 )                        
     (( attr rmsd >= 0.8107907 and attr rmsd <= 0.8907907 )                     
     and bondedto ( attr rmsd >= 39.37812 and attr rmsd <= 40.97812 ))
      3.6 3.6 1.4                                                               
      peak 680 ppm1 4.003069 ppm2 0.8507907 volume 5320000 weight 1.0           
REMARK dnoe: 2.505518 position 3.312372 3.132711                                
ASSI { 681 }                                                                    
     ( attr rmsd >= 3.072711 and attr rmsd <= 3.192711 )                        
     (( attr rmsd >= 3.272372 and attr rmsd <= 3.352372 )                       
     and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
      3.0 3.0 0.5999999                                                         
      peak 681 ppm1 3.132711 ppm2 3.312372 volume 30700002 weight 1.0           
REMARK dnoe: 2.437638 position 3.136014 3.304227                                
ASSI { 682 }                                                                    
     ( attr rmsd >= 3.244227 and attr rmsd <= 3.364227 )                        
     (( attr rmsd >= 3.096014 and attr rmsd <= 3.176014 )                       
     and bondedto ( attr rmsd >= 39.17054 and attr rmsd <= 40.77054 ))
      2.5 2.5 0.2                                                               
      peak 682 ppm1 3.304227 ppm2 3.136014 volume 36200000 weight 1.0           
REMARK dnoe: 2.707039 position 1.683058 2.630991                                
ASSI { 683 }                                                                    
     ( attr rmsd >= 2.570991 and attr rmsd <= 2.690991 )                        
     (( attr rmsd >= 1.643058 and attr rmsd <= 1.723058 )                       
     and bondedto ( attr rmsd >= 39.41334 and attr rmsd <= 41.01334 ))
      3.0 3.0 0.5999999                                                         
      peak 683 ppm1 2.630991 ppm2 1.683058 volume 19300000 weight 1.0           
REMARK dnoe: 2.636752 position 0.8536282 2.059797                               
ASSI { 684 }                                                                    
     ( attr rmsd >= 1.999797 and attr rmsd <= 2.119797 )                        
     (( attr rmsd >= 0.8136282 and attr rmsd <= 0.8936282 )                     
     and bondedto ( attr rmsd >= 39.45753 and attr rmsd <= 41.05753 ))
      3.0 3.0 0.5999999                                                         
      peak 684 ppm1 2.059797 ppm2 0.8536282 volume 22600000 weight 1.0          
REMARK dnoe: 2.515169 position 2.069212 0.8426063                               
ASSI { 685 }                                                                    
     ( attr rmsd >= 0.7826063 and attr rmsd <= 0.9026063 )                      
     (( attr rmsd >= 2.029212 and attr rmsd <= 2.109212 )                       
     and bondedto ( attr rmsd >= 39.39475 and attr rmsd <= 40.99475 ))
      3.0 3.0 0.5999999                                                         
      peak 685 ppm1 0.8426063 ppm2 2.069212 volume 30000002 weight 1.0          
REMARK dnoe: 2.671343 position 1.680431 0.9896965                               
ASSI { 686 }                                                                    
     ( attr rmsd >= 0.9296965 and attr rmsd <= 1.049696 )                       
     (( attr rmsd >= 1.640431 and attr rmsd <= 1.720431 )                       
     and bondedto ( attr rmsd >= 39.28582 and attr rmsd <= 40.88582 ))
      3.0 3.0 0.5999999                                                         
      peak 686 ppm1 0.9896965 ppm2 1.680431 volume 20900000 weight 1.0          
REMARK dnoe: 2.597992 position 1.680431 0.2705312                               
ASSI { 688 }                                                                    
     ( attr rmsd >= 0.2105312 and attr rmsd <= 0.3305312 )                      
     (( attr rmsd >= 1.640431 and attr rmsd <= 1.720431 )                       
     and bondedto ( attr rmsd >= 39.40131 and attr rmsd <= 41.00131 ))
      3.0 3.0 0.5999999                                                         
      peak 688 ppm1 0.2705312 ppm2 1.680431 volume 24700000 weight 1.0          
REMARK dnoe: 2.411697 position 1.683058 0.5941629                               
ASSI { 689 }                                                                    
     ( attr rmsd >= 0.5341629 and attr rmsd <= 0.6541629 )                      
     (( attr rmsd >= 1.643058 and attr rmsd <= 1.723058 )                       
     and bondedto ( attr rmsd >= 39.33197 and attr rmsd <= 40.93197 ))
      2.5 2.5 0.2                                                               
      peak 689 ppm1 0.5941629 ppm2 1.683058 volume 38600000 weight 1.0          
REMARK dnoe: 2.91812 position 1.903077 9.870072                                 
ASSI { 690 }                                                                    
     ( attr rmsd >= 9.810072 and attr rmsd <= 9.930073 )                        
     (( attr rmsd >= 1.863077 and attr rmsd <= 1.943077 )                       
     and bondedto ( attr rmsd >= 38.77833 and attr rmsd <= 40.37833 ))
      3.0 3.0 0.5999999                                                         
      peak 690 ppm1 9.870072 ppm2 1.903077 volume 12300000 weight 1.0           
REMARK dnoe: 3.175297 position 1.906548 9.203131                                
ASSI { 691 }                                                                    
     ( attr rmsd >= 9.14313 and attr rmsd <= 9.263131 )                         
     (( attr rmsd >= 1.866548 and attr rmsd <= 1.946548 )                       
     and bondedto ( attr rmsd >= 38.75515 and attr rmsd <= 40.35515 ))
      3.6 3.6 1.4                                                               
      peak 691 ppm1 9.203131 ppm2 1.906548 volume 7410000 weight 1.0            
REMARK dnoe: 2.421199 position 2.719189 4.53392                                 
ASSI { 692 }                                                                    
     ( attr rmsd >= 4.47392 and attr rmsd <= 4.59392 )                          
     (( attr rmsd >= 2.679189 and attr rmsd <= 2.759189 )                       
     and bondedto ( attr rmsd >= 38.40909 and attr rmsd <= 40.00909 ))
      2.5 2.5 0.2                                                               
      peak 692 ppm1 4.53392 ppm2 2.719189 volume 37700000 weight 1.0            
REMARK dnoe: 2.577532 position 1.898364 1.642395                                
ASSI { 693 }                                                                    
     ( attr rmsd >= 1.582395 and attr rmsd <= 1.702395 )                        
     (( attr rmsd >= 1.858364 and attr rmsd <= 1.938364 )                       
     and bondedto ( attr rmsd >= 38.77833 and attr rmsd <= 40.37833 ))
      3.0 3.0 0.5999999                                                         
      peak 693 ppm1 1.642395 ppm2 1.898364 volume 25900000 weight 1.0           
REMARK dnoe: 2.743789 position 1.89942 1.37292                                  
ASSI { 694 }                                                                    
     ( attr rmsd >= 1.31292 and attr rmsd <= 1.43292 )                          
     (( attr rmsd >= 1.85942 and attr rmsd <= 1.93942 )                         
     and bondedto ( attr rmsd >= 38.77833 and attr rmsd <= 40.37833 ))
      3.0 3.0 0.5999999                                                         
      peak 694 ppm1 1.37292 ppm2 1.89942 volume 17800000 weight 1.0             
REMARK dnoe: 2.855832 position 1.897567 1.004669                                
ASSI { 695 }                                                                    
     ( attr rmsd >= 0.9446689 and attr rmsd <= 1.064669 )                       
     (( attr rmsd >= 1.857567 and attr rmsd <= 1.937567 )                       
     and bondedto ( attr rmsd >= 38.70899 and attr rmsd <= 40.30899 ))
      3.0 3.0 0.5999999                                                         
      peak 695 ppm1 1.004669 ppm2 1.897567 volume 14000000 weight 1.0           
REMARK dnoe: 2.217365 position 1.89881 0.6640453                                
ASSI { 696 }                                                                    
     ( attr rmsd >= 0.6040453 and attr rmsd <= 0.7240453 )                      
     (( attr rmsd >= 1.85881 and attr rmsd <= 1.93881 )                         
     and bondedto ( attr rmsd >= 38.71883 and attr rmsd <= 40.31883 ))
      2.5 2.5 0.2                                                               
      peak 696 ppm1 0.6640453 ppm2 1.89881 volume 63900000 weight 1.0           
REMARK dnoe: 3.068413 position 1.630345 7.942052                                
ASSI { 697 }                                                                    
     ( attr rmsd >= 7.882052 and attr rmsd <= 8.002052 )                        
     (( attr rmsd >= 1.590345 and attr rmsd <= 1.670345 )                       
     and bondedto ( attr rmsd >= 37.59668 and attr rmsd <= 39.19668 ))
      3.6 3.6 1.4                                                               
      peak 697 ppm1 7.942052 ppm2 1.630345 volume 9100000 weight 1.0            
REMARK dnoe: 2.842455 position 1.208807 8.056961                                
ASSI { 698 }                                                                    
     ( attr rmsd >= 7.996961 and attr rmsd <= 8.116961 )                        
     (( attr rmsd >= 1.168807 and attr rmsd <= 1.248807 )                       
     and bondedto ( attr rmsd >= 37.62008 and attr rmsd <= 39.22008 ))
      3.0 3.0 0.5999999                                                         
      peak 698 ppm1 8.056961 ppm2 1.208807 volume 14399999 weight 1.0           
REMARK dnoe: 3.507336 position 1.630345 4.55407                                 
ASSI { 700 }                                                                    
     ( attr rmsd >= 4.49407 and attr rmsd <= 4.61407 )                          
     (( attr rmsd >= 1.590345 and attr rmsd <= 1.670345 )                       
     and bondedto ( attr rmsd >= 37.71677 and attr rmsd <= 39.31677 ))
      3.6 3.6 1.4                                                               
      peak 700 ppm1 4.55407 ppm2 1.630345 volume 4080000 weight 1.0             
REMARK dnoe: 3.221087 position 1.630345 3.997398                                
ASSI { 701 }                                                                    
     ( attr rmsd >= 3.937398 and attr rmsd <= 4.057398 )                        
     (( attr rmsd >= 1.590345 and attr rmsd <= 1.670345 )                       
     and bondedto ( attr rmsd >= 37.62446 and attr rmsd <= 39.22446 ))
      3.6 3.6 1.4                                                               
      peak 701 ppm1 3.997398 ppm2 1.630345 volume 6800000 weight 1.0            
REMARK dnoe: 3.205563 position 1.636113 3.649469                                
ASSI { 702 }                                                                    
     ( attr rmsd >= 3.589469 and attr rmsd <= 3.709469 )                        
     (( attr rmsd >= 1.596113 and attr rmsd <= 1.676113 )                       
     and bondedto ( attr rmsd >= 37.71677 and attr rmsd <= 39.31677 ))
      3.6 3.6 1.4                                                               
      peak 702 ppm1 3.649469 ppm2 1.636113 volume 7000000 weight 1.0            
REMARK dnoe: 3.338043 position 1.216192 3.734776                                
ASSI { 703 }                                                                    
     ( attr rmsd >= 3.674776 and attr rmsd <= 3.794776 )                        
     (( attr rmsd >= 1.176192 and attr rmsd <= 1.256192 )                       
     and bondedto ( attr rmsd >= 37.71677 and attr rmsd <= 39.31677 ))
      3.6 3.6 1.4                                                               
      peak 703 ppm1 3.734776 ppm2 1.216192 volume 5490000 weight 1.0            
REMARK dnoe: 2.538249 position 1.628891 1.275197                                
ASSI { 704 }                                                                    
     ( attr rmsd >= 1.215197 and attr rmsd <= 1.335197 )                        
     (( attr rmsd >= 1.588891 and attr rmsd <= 1.668891 )                       
     and bondedto ( attr rmsd >= 37.53237 and attr rmsd <= 39.13237 ))
      3.0 3.0 0.5999999                                                         
      peak 704 ppm1 1.275197 ppm2 1.628891 volume 28400000 weight 1.0           
REMARK dnoe: 2.634812 position 1.627812 0.9721882                               
ASSI { 705 }                                                                    
     ( attr rmsd >= 0.9121882 and attr rmsd <= 1.032188 )                       
     (( attr rmsd >= 1.587812 and attr rmsd <= 1.667812 )                       
     and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
      3.0 3.0 0.5999999                                                         
      peak 705 ppm1 0.9721882 ppm2 1.627812 volume 22700000 weight 1.0          
REMARK dnoe: 2.399423 position 1.629078 0.6669025                               
ASSI { 706 }                                                                    
     ( attr rmsd >= 0.6069025 and attr rmsd <= 0.7269025 )                      
     (( attr rmsd >= 1.589078 and attr rmsd <= 1.669078 )                       
     and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
      2.5 2.5 0.2                                                               
      peak 706 ppm1 0.6669025 ppm2 1.629078 volume 39800000 weight 1.0          
REMARK dnoe: 2.492169 position 1.628305 0.3324437                               
ASSI { 707 }                                                                    
     ( attr rmsd >= 0.2724437 and attr rmsd <= 0.3924437 )                      
     (( attr rmsd >= 1.588305 and attr rmsd <= 1.668305 )                       
     and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
      2.5 2.5 0.2                                                               
      peak 707 ppm1 0.3324437 ppm2 1.628305 volume 31700000 weight 1.0          
REMARK dnoe: 2.608662 position 1.210893 1.03279                                 
ASSI { 708 }                                                                    
     ( attr rmsd >= 0.9727899 and attr rmsd <= 1.09279 )                        
     (( attr rmsd >= 1.170893 and attr rmsd <= 1.250893 )                       
     and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
      3.0 3.0 0.5999999                                                         
      peak 708 ppm1 1.03279 ppm2 1.210893 volume 24100000 weight 1.0            
REMARK dnoe: 2.682145 position 1.209533 0.4199839                               
ASSI { 709 }                                                                    
     ( attr rmsd >= 0.3599839 and attr rmsd <= 0.4799839 )                      
     (( attr rmsd >= 1.169533 and attr rmsd <= 1.249533 )                       
     and bondedto ( attr rmsd >= 37.64764 and attr rmsd <= 39.24764 ))
      3.0 3.0 0.5999999                                                         
      peak 709 ppm1 0.4199839 ppm2 1.209533 volume 20400000 weight 1.0          
REMARK dnoe: 2.58762 position 1.210096 0.1663423                                
ASSI { 710 }                                                                    
     ( attr rmsd >= 0.1063423 and attr rmsd <= 0.2263423 )                      
     (( attr rmsd >= 1.170096 and attr rmsd <= 1.250096 )                       
     and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
      3.0 3.0 0.5999999                                                         
      peak 710 ppm1 0.1663423 ppm2 1.210096 volume 25300000 weight 1.0          
REMARK dnoe: 2.910286 position 1.210096 -0.0379124                              
ASSI { 711 }                                                                    
     ( attr rmsd >= -0.0979124 and attr rmsd <= 0.0220876 )                     
     (( attr rmsd >= 1.170096 and attr rmsd <= 1.250096 )                       
     and bondedto ( attr rmsd >= 37.57830 and attr rmsd <= 39.17830 ))
      3.0 3.0 0.5999999                                                         
      peak 711 ppm1 -0.0379124 ppm2 1.210096 volume 12500000 weight 1.0         
REMARK dnoe: 2.773115 position 1.723577 8.351786                                
ASSI { 712 }                                                                    
     ( attr rmsd >= 8.291785 and attr rmsd <= 8.411786 )                        
     (( attr rmsd >= 1.683577 and attr rmsd <= 1.763577 )                       
     and bondedto ( attr rmsd >= 37.07082 and attr rmsd <= 38.67082 ))
      3.0 3.0 0.5999999                                                         
      peak 712 ppm1 8.351786 ppm2 1.723577 volume 16700000 weight 1.0           
REMARK dnoe: 3.349323 position 1.722405 7.693652                                
ASSI { 713 }                                                                    
     ( attr rmsd >= 7.633652 and attr rmsd <= 7.753652 )                        
     (( attr rmsd >= 1.682405 and attr rmsd <= 1.762405 )                       
     and bondedto ( attr rmsd >= 37.02467 and attr rmsd <= 38.62467 ))
      3.6 3.6 1.4                                                               
      peak 713 ppm1 7.693652 ppm2 1.722405 volume 5380000 weight 1.0            
REMARK dnoe: 3.277258 position 1.725219 4.255208                                
ASSI { 714 }                                                                    
     ( attr rmsd >= 4.195208 and attr rmsd <= 4.315208 )                        
     (( attr rmsd >= 1.685219 and attr rmsd <= 1.765219 )                       
     and bondedto ( attr rmsd >= 37.11697 and attr rmsd <= 38.71697 ))
      3.6 3.6 1.4                                                               
      peak 714 ppm1 4.255208 ppm2 1.725219 volume 6130000 weight 1.0            
REMARK dnoe: 2.986689 position 1.725195 4.731407                                
ASSI { 715 }                                                                    
     ( attr rmsd >= 4.671407 and attr rmsd <= 4.791407 )                        
     (( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )                       
     and bondedto ( attr rmsd >= 37.09379 and attr rmsd <= 38.69379 ))
      3.0 3.0 0.5999999                                                         
      peak 715 ppm1 4.731407 ppm2 1.725195 volume 10700000 weight 1.0           
REMARK dnoe: 1.959912 position 1.96395 1.770559                                 
ASSI { 716 }                                                                    
     ( attr rmsd >= 1.710559 and attr rmsd <= 1.830559 )                        
     (( attr rmsd >= 1.92395 and attr rmsd <= 2.00395 )                         
     and bondedto ( attr rmsd >= 36.54015 and attr rmsd <= 38.14015 ))
      2.5 2.5 0.2                                                               
      peak 716 ppm1 1.770559 ppm2 1.96395 volume 134000000 weight 1.0           
REMARK dnoe: 2.511001 position 1.728384 0.623487                                
ASSI { 717 }                                                                    
     ( attr rmsd >= 0.563487 and attr rmsd <= 0.683487 )                        
     (( attr rmsd >= 1.688384 and attr rmsd <= 1.768384 )                       
     and bondedto ( attr rmsd >= 37.05944 and attr rmsd <= 38.65944 ))
      3.0 3.0 0.5999999                                                         
      peak 717 ppm1 0.623487 ppm2 1.728384 volume 30300000 weight 1.0           
REMARK dnoe: 2.323251 position 1.728384 0.7559683                               
ASSI { 718 }                                                                    
     ( attr rmsd >= 0.6959683 and attr rmsd <= 0.8159683 )                      
     (( attr rmsd >= 1.688384 and attr rmsd <= 1.768384 )                       
     and bondedto ( attr rmsd >= 37.07038 and attr rmsd <= 38.67038 ))
      2.5 2.5 0.2                                                               
      peak 718 ppm1 0.7559683 ppm2 1.728384 volume 48300000 weight 1.0          
REMARK dnoe: 2.716504 position 1.725195 0.8788042                               
ASSI { 719 }                                                                    
     ( attr rmsd >= 0.8188042 and attr rmsd <= 0.9388042 )                      
     (( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )                       
     and bondedto ( attr rmsd >= 37.02467 and attr rmsd <= 38.62467 ))
      3.0 3.0 0.5999999                                                         
      peak 719 ppm1 0.8788042 ppm2 1.725195 volume 18900000 weight 1.0          
REMARK dnoe: 2.704708 position 1.725195 1.089933                                
ASSI { 720 }                                                                    
     ( attr rmsd >= 1.029933 and attr rmsd <= 1.149933 )                        
     (( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )                       
     and bondedto ( attr rmsd >= 37.11697 and attr rmsd <= 38.71697 ))
      3.0 3.0 0.5999999                                                         
      peak 720 ppm1 1.089933 ppm2 1.725195 volume 19400000 weight 1.0           
REMARK dnoe: 2.644611 position 1.725195 1.265293                                
ASSI { 721 }                                                                    
     ( attr rmsd >= 1.205293 and attr rmsd <= 1.325293 )                        
     (( attr rmsd >= 1.685195 and attr rmsd <= 1.765195 )                       
     and bondedto ( attr rmsd >= 37.07519 and attr rmsd <= 38.67519 ))
      3.0 3.0 0.5999999                                                         
      peak 721 ppm1 1.265293 ppm2 1.725195 volume 22200000 weight 1.0           
REMARK dnoe: 2.324054 position 1.722006 1.532448                                
ASSI { 722 }                                                                    
     ( attr rmsd >= 1.472448 and attr rmsd <= 1.592448 )                        
     (( attr rmsd >= 1.682006 and attr rmsd <= 1.762006 )                       
     and bondedto ( attr rmsd >= 37.00148 and attr rmsd <= 38.60148 ))
      2.5 2.5 0.2                                                               
      peak 722 ppm1 1.532448 ppm2 1.722006 volume 48200000 weight 1.0           
REMARK dnoe: 3.139606 position 1.954641 9.410328                                
ASSI { 723 }                                                                    
     ( attr rmsd >= 9.350327 and attr rmsd <= 9.470328 )                        
     (( attr rmsd >= 1.914641 and attr rmsd <= 1.994641 )                       
     and bondedto ( attr rmsd >= 36.60292 and attr rmsd <= 38.20292 ))
      3.6 3.6 1.4                                                               
      peak 723 ppm1 9.410328 ppm2 1.954641 volume 7930000 weight 1.0            
REMARK dnoe: 3.155728 position 1.954641 7.839173                                
ASSI { 724 }                                                                    
     ( attr rmsd >= 7.779173 and attr rmsd <= 7.899173 )                        
     (( attr rmsd >= 1.914641 and attr rmsd <= 1.994641 )                       
     and bondedto ( attr rmsd >= 36.51258 and attr rmsd <= 38.11258 ))
      3.6 3.6 1.4                                                               
      peak 724 ppm1 7.839173 ppm2 1.954641 volume 7690000 weight 1.0            
REMARK dnoe: 3.256348 position 2.897962 7.51131                                 
ASSI { 725 }                                                                    
     ( attr rmsd >= 7.45131 and attr rmsd <= 7.57131 )                          
     (( attr rmsd >= 2.857962 and attr rmsd <= 2.937962 )                       
     and bondedto ( attr rmsd >= 36.51258 and attr rmsd <= 38.11258 ))
      3.6 3.6 1.4                                                               
      peak 725 ppm1 7.51131 ppm2 2.897962 volume 6370000 weight 1.0             
REMARK dnoe: 2.762197 position 2.977172 7.044885                                
ASSI { 726 }                                                                    
     ( attr rmsd >= 6.984885 and attr rmsd <= 7.104885 )                        
     (( attr rmsd >= 2.937172 and attr rmsd <= 3.017172 )                       
     and bondedto ( attr rmsd >= 36.17375 and attr rmsd <= 37.77375 ))
      3.0 3.0 0.5999999                                                         
      peak 726 ppm1 7.044885 ppm2 2.977172 volume 17100000 weight 1.0           
REMARK dnoe: 2.849088 position 3.202702 7.044885                                
ASSI { 727 }                                                                    
     ( attr rmsd >= 6.984885 and attr rmsd <= 7.104885 )                        
     (( attr rmsd >= 3.162702 and attr rmsd <= 3.242702 )                       
     and bondedto ( attr rmsd >= 36.15122 and attr rmsd <= 37.75122 ))
      3.0 3.0 0.5999999                                                         
      peak 727 ppm1 7.044885 ppm2 3.202702 volume 14200000 weight 1.0           
REMARK dnoe: 3.03437 position 2.916111 6.83135                                  
ASSI { 728 }                                                                    
     ( attr rmsd >= 6.77135 and attr rmsd <= 6.89135 )                          
     (( attr rmsd >= 2.876111 and attr rmsd <= 2.956111 )                       
     and bondedto ( attr rmsd >= 36.46752 and attr rmsd <= 38.06752 ))
      3.6 3.6 1.4                                                               
      peak 728 ppm1 6.83135 ppm2 2.916111 volume 9730000 weight 1.0             
REMARK dnoe: 3.527806 position 1.98489 6.124989                                 
ASSI { 729 }                                                                    
     ( attr rmsd >= 6.064989 and attr rmsd <= 6.184989 )                        
     (( attr rmsd >= 1.94489 and attr rmsd <= 2.02489 )                         
     and bondedto ( attr rmsd >= 36.53533 and attr rmsd <= 38.13533 ))
      3.6 3.6 1.4                                                               
      peak 729 ppm1 6.124989 ppm2 1.98489 volume 3940000 weight 1.0             
REMARK dnoe: 3.02869 position 1.966741 5.634268                                 
ASSI { 730 }                                                                    
     ( attr rmsd >= 5.574268 and attr rmsd <= 5.694268 )                        
     (( attr rmsd >= 1.926741 and attr rmsd <= 2.006741 )                       
     and bondedto ( attr rmsd >= 36.55786 and attr rmsd <= 38.15786 ))
      3.6 3.6 1.4                                                               
      peak 730 ppm1 5.634268 ppm2 1.966741 volume 9840000 weight 1.0            
REMARK dnoe: 2.810826 position 3.202702 4.485176                                
ASSI { 733 }                                                                    
     ( attr rmsd >= 4.425176 and attr rmsd <= 4.545176 )                        
     (( attr rmsd >= 3.162702 and attr rmsd <= 3.242702 )                       
     and bondedto ( attr rmsd >= 36.17375 and attr rmsd <= 37.77375 ))
      3.0 3.0 0.5999999                                                         
      peak 733 ppm1 4.485176 ppm2 3.202702 volume 15400000 weight 1.0           
REMARK dnoe: 2.339684 position 2.904011 4.365004                                
ASSI { 734 }                                                                    
     ( attr rmsd >= 4.305004 and attr rmsd <= 4.425004 )                        
     (( attr rmsd >= 2.864011 and attr rmsd <= 2.944011 )                       
     and bondedto ( attr rmsd >= 36.46490 and attr rmsd <= 38.06490 ))
      2.5 2.5 0.2                                                               
      peak 734 ppm1 4.365004 ppm2 2.904011 volume 46300000 weight 1.0           
REMARK dnoe: 2.733645 position 2.979587 4.46842                                 
ASSI { 735 }                                                                    
     ( attr rmsd >= 4.40842 and attr rmsd <= 4.52842 )                          
     (( attr rmsd >= 2.939587 and attr rmsd <= 3.019587 )                       
     and bondedto ( attr rmsd >= 36.19650 and attr rmsd <= 37.79650 ))
      3.0 3.0 0.5999999                                                         
      peak 735 ppm1 4.46842 ppm2 2.979587 volume 18200000 weight 1.0            
REMARK dnoe: 2.133199 position 3.202702 2.960767                                
ASSI { 736 }                                                                    
     ( attr rmsd >= 2.900767 and attr rmsd <= 3.020767 )                        
     (( attr rmsd >= 3.162702 and attr rmsd <= 3.242702 )                       
     and bondedto ( attr rmsd >= 36.17375 and attr rmsd <= 37.77375 ))
      2.5 2.5 0.2                                                               
      peak 736 ppm1 2.960767 ppm2 3.202702 volume 80600000 weight 1.0           
REMARK dnoe: 2.086681 position 2.977172 3.195461                                
ASSI { 737 }                                                                    
     ( attr rmsd >= 3.135461 and attr rmsd <= 3.255461 )                        
     (( attr rmsd >= 2.937172 and attr rmsd <= 3.017172 )                       
     and bondedto ( attr rmsd >= 36.12869 and attr rmsd <= 37.72869 ))
      2.5 2.5 0.2                                                               
      peak 737 ppm1 3.195461 ppm2 2.977172 volume 92000000 weight 1.0           
REMARK dnoe: 2.707039 position 1.963716 0.6919508                               
ASSI { 739 }                                                                    
     ( attr rmsd >= 0.6319508 and attr rmsd <= 0.7519508 )                      
     (( attr rmsd >= 1.923716 and attr rmsd <= 2.003716 )                       
     and bondedto ( attr rmsd >= 36.51258 and attr rmsd <= 38.11258 ))
      3.0 3.0 0.5999999                                                         
      peak 739 ppm1 0.6919508 ppm2 1.963716 volume 19300000 weight 1.0          
REMARK dnoe: 3.511652 position 0.8178217 1.590128                               
ASSI { 740 }                                                                    
     ( attr rmsd >= 1.530128 and attr rmsd <= 1.650128 )                        
     (( attr rmsd >= 0.7778217 and attr rmsd <= 0.8578217 )                     
     and bondedto ( attr rmsd >= 36.59658 and attr rmsd <= 38.19658 ))
      3.6 3.6 1.4                                                               
      peak 740 ppm1 1.590128 ppm2 0.8178217 volume 4050000 weight 1.0           
REMARK dnoe: 3.177444 position 1.606943 0.8132615                               
ASSI { 741 }                                                                    
     ( attr rmsd >= 0.7532615 and attr rmsd <= 0.8732615 )                      
     (( attr rmsd >= 1.566943 and attr rmsd <= 1.646943 )                       
     and bondedto ( attr rmsd >= 36.59264 and attr rmsd <= 38.19264 ))
      3.6 3.6 1.4                                                               
      peak 741 ppm1 0.8132615 ppm2 1.606943 volume 7380000 weight 1.0           
REMARK dnoe: 3.357696 position 3.782965 8.009099                                
ASSI { 742 }                                                                    
     ( attr rmsd >= 7.949099 and attr rmsd <= 8.069099 )                        
     (( attr rmsd >= 3.742965 and attr rmsd <= 3.822965 )                       
     and bondedto ( attr rmsd >= 64.56831 and attr rmsd <= 66.16831 ))
      3.6 3.6 1.4                                                               
      peak 742 ppm1 8.009099 ppm2 3.782965 volume 0.53e+07 weight 1.0           
REMARK dnoe: 3.930455 position 3.525967 8.009228                                
ASSI { 743 }                                                                    
     ( attr rmsd >= 7.949228 and attr rmsd <= 8.069228 )                        
     (( attr rmsd >= 3.485967 and attr rmsd <= 3.565967 )                       
     and bondedto ( attr rmsd >= 64.58690 and attr rmsd <= 66.18690 ))
      4.2 4.2 1.8                                                               
      peak 743 ppm1 8.009228 ppm2 3.525967 volume 2060000 weight 1.0            
REMARK dnoe: 3.591315 position 3.542757 7.583663                                
ASSI { 744 }                                                                    
     ( attr rmsd >= 7.523663 and attr rmsd <= 7.643663 )                        
     (( attr rmsd >= 3.502757 and attr rmsd <= 3.582757 )                       
     and bondedto ( attr rmsd >= 63.97629 and attr rmsd <= 65.57629 ))
      3.6 3.6 1.4                                                               
      peak 744 ppm1 7.583663 ppm2 3.542757 volume 3540000 weight 1.0            
REMARK dnoe: 3.581269 position 3.783669 7.606412                                
ASSI { 745 }                                                                    
     ( attr rmsd >= 7.546412 and attr rmsd <= 7.666412 )                        
     (( attr rmsd >= 3.743669 and attr rmsd <= 3.823669 )                       
     and bondedto ( attr rmsd >= 63.95354 and attr rmsd <= 65.55354 ))
      3.6 3.6 1.4                                                               
      peak 745 ppm1 7.606412 ppm2 3.783669 volume 0.36e+07 weight 1.0           
REMARK dnoe: 2.429869 position 3.78606 4.399139                                 
ASSI { 746 }                                                                    
     ( attr rmsd >= 4.339139 and attr rmsd <= 4.459139 )                        
     (( attr rmsd >= 3.74606 and attr rmsd <= 3.82606 )                         
     and bondedto ( attr rmsd >= 64.57442 and attr rmsd <= 66.17443 ))
      2.5 2.5 0.2                                                               
      peak 746 ppm1 4.399139 ppm2 3.78606 volume 36900000 weight 1.0            
REMARK dnoe: 2.754202 position 3.528312 4.399548                                
ASSI { 747 }                                                                    
     ( attr rmsd >= 4.339548 and attr rmsd <= 4.459548 )                        
     (( attr rmsd >= 3.488312 and attr rmsd <= 3.568312 )                       
     and bondedto ( attr rmsd >= 64.57442 and attr rmsd <= 66.17443 ))
      3.0 3.0 0.5999999                                                         
      peak 747 ppm1 4.399548 ppm2 3.528312 volume 17400000 weight 1.0           
REMARK dnoe: 2.193427 position 3.789648 3.522981                                
ASSI { 748 }                                                                    
     ( attr rmsd >= 3.462981 and attr rmsd <= 3.582981 )                        
     (( attr rmsd >= 3.749648 and attr rmsd <= 3.829648 )                       
     and bondedto ( attr rmsd >= 64.54731 and attr rmsd <= 66.14731 ))
      2.5 2.5 0.2                                                               
      peak 748 ppm1 3.522981 ppm2 3.789648 volume 68200000 weight 1.0           
REMARK dnoe: 2.202675 position 3.529484 3.784916                                
ASSI { 749 }                                                                    
     ( attr rmsd >= 3.724916 and attr rmsd <= 3.844916 )                        
     (( attr rmsd >= 3.489484 and attr rmsd <= 3.569484 )                       
     and bondedto ( attr rmsd >= 64.54731 and attr rmsd <= 66.14731 ))
      2.5 2.5 0.2                                                               
      peak 749 ppm1 3.784916 ppm2 3.529484 volume 66500004 weight 1.0           
REMARK dnoe: 2.938374 position 3.529484 3.940964                                
ASSI { 751 }                                                                    
     ( attr rmsd >= 3.880964 and attr rmsd <= 4.000964 )                        
     (( attr rmsd >= 3.489484 and attr rmsd <= 3.569484 )                       
     and bondedto ( attr rmsd >= 64.06728 and attr rmsd <= 65.66728 ))
      3.0 3.0 0.5999999                                                         
      peak 751 ppm1 3.940964 ppm2 3.529484 volume 11800000 weight 1.0           
REMARK dnoe: 3.030232 position 3.533001 1.923319                                
ASSI { 753 }                                                                    
     ( attr rmsd >= 1.863319 and attr rmsd <= 1.983319 )                        
     (( attr rmsd >= 3.493001 and attr rmsd <= 3.573001 )                       
     and bondedto ( attr rmsd >= 64.04453 and attr rmsd <= 65.64453 ))
      3.6 3.6 1.4                                                               
      peak 753 ppm1 1.923319 ppm2 3.533001 volume 9810000 weight 1.0            
REMARK dnoe: 2.964042 position 3.786131 1.578249                                
ASSI { 754 }                                                                    
     ( attr rmsd >= 1.518249 and attr rmsd <= 1.638249 )                        
     (( attr rmsd >= 3.746131 and attr rmsd <= 3.826131 )                       
     and bondedto ( attr rmsd >= 64.04453 and attr rmsd <= 65.64453 ))
      3.0 3.0 0.5999999                                                         
      peak 754 ppm1 1.578249 ppm2 3.786131 volume 11200000 weight 1.0           
REMARK dnoe: 3.0735 position 3.533001 1.567357                                  
ASSI { 755 }                                                                    
     ( attr rmsd >= 1.507357 and attr rmsd <= 1.627357 )                        
     (( attr rmsd >= 3.493001 and attr rmsd <= 3.573001 )                       
     and bondedto ( attr rmsd >= 64.54599 and attr rmsd <= 66.14599 ))
      3.6 3.6 1.4                                                               
      peak 755 ppm1 1.567357 ppm2 3.533001 volume 9010000 weight 1.0            
REMARK dnoe: 2.869663 position 3.786131 0.7738416                               
ASSI { 756 }                                                                    
     ( attr rmsd >= 0.7138416 and attr rmsd <= 0.8338416 )                      
     (( attr rmsd >= 3.746131 and attr rmsd <= 3.826131 )                       
     and bondedto ( attr rmsd >= 64.02200 and attr rmsd <= 65.62201 ))
      3.0 3.0 0.5999999                                                         
      peak 756 ppm1 0.7738416 ppm2 3.786131 volume 13600001 weight 1.0          
REMARK dnoe: 3.124681 position 3.533001 0.7694373                               
ASSI { 757 }                                                                    
     ( attr rmsd >= 0.7094373 and attr rmsd <= 0.8294373 )                      
     (( attr rmsd >= 3.493001 and attr rmsd <= 3.573001 )                       
     and bondedto ( attr rmsd >= 64.02200 and attr rmsd <= 65.62201 ))
      3.6 3.6 1.4                                                               
      peak 757 ppm1 0.7694373 ppm2 3.533001 volume 8160000 weight 1.0           
REMARK dnoe: 2.829504 position 3.78177 1.923319                                 
ASSI { 758 }                                                                    
     ( attr rmsd >= 1.863319 and attr rmsd <= 1.983319 )                        
     (( attr rmsd >= 3.74177 and attr rmsd <= 3.82177 )                         
     and bondedto ( attr rmsd >= 64.04453 and attr rmsd <= 65.64453 ))
      3.0 3.0 0.5999999                                                         
      peak 758 ppm1 1.923319 ppm2 3.78177 volume 14800000 weight 1.0            
REMARK dnoe: 3.207092 position 2.213211 9.242186                                
ASSI { 759 }                                                                    
     ( attr rmsd >= 9.182185 and attr rmsd <= 9.302186 )                        
     (( attr rmsd >= 2.173211 and attr rmsd <= 2.253211 )                       
     and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
      3.6 3.6 1.4                                                               
      peak 759 ppm1 9.242186 ppm2 2.213211 volume 6980000 weight 1.0            
REMARK dnoe: 2.697799 position 2.206153 9.039221                                
ASSI { 760 }                                                                    
     ( attr rmsd >= 8.97922 and attr rmsd <= 9.099221 )                         
     (( attr rmsd >= 2.166153 and attr rmsd <= 2.246153 )                       
     and bondedto ( attr rmsd >= 35.67699 and attr rmsd <= 37.27699 ))
      3.0 3.0 0.5999999                                                         
      peak 760 ppm1 9.039221 ppm2 2.206153 volume 19700000 weight 1.0           
REMARK dnoe: 3.057863 position 2.193702 8.767126                                
ASSI { 761 }                                                                    
     ( attr rmsd >= 8.707126 and attr rmsd <= 8.827127 )                        
     (( attr rmsd >= 2.153702 and attr rmsd <= 2.233702 )                       
     and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
      3.6 3.6 1.4                                                               
      peak 761 ppm1 8.767126 ppm2 2.193702 volume 9290000 weight 1.0            
REMARK dnoe: 3.523349 position 2.196938 7.271545                                
ASSI { 762 }                                                                    
     ( attr rmsd >= 7.211545 and attr rmsd <= 7.331545 )                        
     (( attr rmsd >= 2.156938 and attr rmsd <= 2.236938 )                       
     and bondedto ( attr rmsd >= 35.69952 and attr rmsd <= 37.29952 ))
      3.6 3.6 1.4                                                               
      peak 762 ppm1 7.271545 ppm2 2.196938 volume 0.397e+07 weight 1.0          
REMARK dnoe: 2.638701 position 2.196938 6.924047                                
ASSI { 763 }                                                                    
     ( attr rmsd >= 6.864047 and attr rmsd <= 6.984047 )                        
     (( attr rmsd >= 2.156938 and attr rmsd <= 2.236938 )                       
     and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
      3.0 3.0 0.5999999                                                         
      peak 763 ppm1 6.924047 ppm2 2.196938 volume 22500000 weight 1.0           
REMARK dnoe: 3.549142 position 2.213211 6.602928                                
ASSI { 764 }                                                                    
     ( attr rmsd >= 6.542928 and attr rmsd <= 6.662928 )                        
     (( attr rmsd >= 2.173211 and attr rmsd <= 2.253211 )                       
     and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
      3.6 3.6 1.4                                                               
      peak 764 ppm1 6.602928 ppm2 2.213211 volume 3800000 weight 1.0            
REMARK dnoe: 2.866161 position 2.163265 4.567883                                
ASSI { 766 }                                                                    
     ( attr rmsd >= 4.507883 and attr rmsd <= 4.627883 )                        
     (( attr rmsd >= 2.123265 and attr rmsd <= 2.203265 )                       
     and bondedto ( attr rmsd >= 35.56411 and attr rmsd <= 37.16411 ))
      3.0 3.0 0.5999999                                                         
      peak 766 ppm1 4.567883 ppm2 2.163265 volume 13699999 weight 1.0           
REMARK dnoe: 3.081532 position 2.206153 5.17723                                 
ASSI { 767 }                                                                    
     ( attr rmsd >= 5.11723 and attr rmsd <= 5.23723 )                          
     (( attr rmsd >= 2.166153 and attr rmsd <= 2.246153 )                       
     and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
      3.6 3.6 1.4                                                               
      peak 767 ppm1 5.17723 ppm2 2.206153 volume 8870000 weight 1.0             
REMARK dnoe: 2.106609 position 2.190348 1.868668                                
ASSI { 768 }                                                                    
     ( attr rmsd >= 1.808668 and attr rmsd <= 1.928668 )                        
     (( attr rmsd >= 2.150348 and attr rmsd <= 2.230348 )                       
     and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
      2.5 2.5 0.2                                                               
      peak 768 ppm1 1.868668 ppm2 2.190348 volume 86900000 weight 1.0           
REMARK dnoe: 2.926104 position 2.209201 1.477109                                
ASSI { 769 }                                                                    
     ( attr rmsd >= 1.417109 and attr rmsd <= 1.537109 )                        
     (( attr rmsd >= 2.169201 and attr rmsd <= 2.249201 )                       
     and bondedto ( attr rmsd >= 35.56411 and attr rmsd <= 37.16411 ))
      3.0 3.0 0.5999999                                                         
      peak 769 ppm1 1.477109 ppm2 2.209201 volume 12100000 weight 1.0           
REMARK dnoe: 2.733645 position 2.21293 1.239515                                 
ASSI { 770 }                                                                    
     ( attr rmsd >= 1.179515 and attr rmsd <= 1.299515 )                        
     (( attr rmsd >= 2.17293 and attr rmsd <= 2.25293 )                         
     and bondedto ( attr rmsd >= 35.76733 and attr rmsd <= 37.36733 ))
      3.0 3.0 0.5999999                                                         
      peak 770 ppm1 1.239515 ppm2 2.21293 volume 18200000 weight 1.0            
REMARK dnoe: 2.955311 position 2.196961 0.7819617                               
ASSI { 771 }                                                                    
     ( attr rmsd >= 0.7219617 and attr rmsd <= 0.8419617 )                      
     (( attr rmsd >= 2.156961 and attr rmsd <= 2.236961 )                       
     and bondedto ( attr rmsd >= 35.72205 and attr rmsd <= 37.32205 ))
      3.0 3.0 0.5999999                                                         
      peak 771 ppm1 0.7819617 ppm2 2.196961 volume 11400000 weight 1.0          
REMARK dnoe: 3.0375 position 1.771155 1.369719                                  
ASSI { 772 }                                                                    
     ( attr rmsd >= 1.309719 and attr rmsd <= 1.429719 )                        
     (( attr rmsd >= 1.731155 and attr rmsd <= 1.811155 )                       
     and bondedto ( attr rmsd >= 35.60918 and attr rmsd <= 37.20918 ))
      3.6 3.6 1.4                                                               
      peak 772 ppm1 1.369719 ppm2 1.771155 volume 9670000 weight 1.0            
REMARK dnoe: 3.322099 position 1.369641 1.756895                                
ASSI { 773 }                                                                    
     ( attr rmsd >= 1.696895 and attr rmsd <= 1.816895 )                        
     (( attr rmsd >= 1.329641 and attr rmsd <= 1.409641 )                       
     and bondedto ( attr rmsd >= 35.72423 and attr rmsd <= 37.32423 ))
      3.6 3.6 1.4                                                               
      peak 773 ppm1 1.756895 ppm2 1.369641 volume 5650000 weight 1.0            
REMARK dnoe: 2.781506 position 3.740945 9.084227                                
ASSI { 774 }                                                                    
     ( attr rmsd >= 9.024226 and attr rmsd <= 9.144227 )                        
     (( attr rmsd >= 3.700945 and attr rmsd <= 3.780945 )                       
     and bondedto ( attr rmsd >= 63.34827 and attr rmsd <= 64.94827 ))
      3.0 3.0 0.5999999                                                         
      peak 774 ppm1 9.084227 ppm2 3.740945 volume 16400000 weight 1.0           
REMARK dnoe: 2.781506 position 3.721787 8.334514                                
ASSI { 775 }                                                                    
     ( attr rmsd >= 8.274513 and attr rmsd <= 8.394514 )                        
     (( attr rmsd >= 3.681787 and attr rmsd <= 3.761787 )                       
     and bondedto ( attr rmsd >= 63.33297 and attr rmsd <= 64.93298 ))
      3.0 3.0 0.5999999                                                         
      peak 775 ppm1 8.334514 ppm2 3.721787 volume 16400000 weight 1.0           
REMARK dnoe: 2.832704 position 3.709008 7.900635                                
ASSI { 776 }                                                                    
     ( attr rmsd >= 7.840635 and attr rmsd <= 7.960635 )                        
     (( attr rmsd >= 3.669008 and attr rmsd <= 3.749008 )                       
     and bondedto ( attr rmsd >= 63.26996 and attr rmsd <= 64.86996 ))
      3.0 3.0 0.5999999                                                         
      peak 776 ppm1 7.900635 ppm2 3.709008 volume 14700000 weight 1.0           
REMARK dnoe: 2.902597 position 3.734567 6.840996                                
ASSI { 777 }                                                                    
     ( attr rmsd >= 6.780996 and attr rmsd <= 6.900996 )                        
     (( attr rmsd >= 3.694567 and attr rmsd <= 3.774567 )                       
     and bondedto ( attr rmsd >= 63.34455 and attr rmsd <= 64.94455 ))
      3.0 3.0 0.5999999                                                         
      peak 777 ppm1 6.840996 ppm2 3.734567 volume 12700000 weight 1.0           
REMARK dnoe: 2.731149 position 3.721787 6.681597                                
ASSI { 778 }                                                                    
     ( attr rmsd >= 6.621597 and attr rmsd <= 6.741597 )                        
     (( attr rmsd >= 3.681787 and attr rmsd <= 3.761787 )                       
     and bondedto ( attr rmsd >= 63.32816 and attr rmsd <= 64.92816 ))
      3.0 3.0 0.5999999                                                         
      peak 778 ppm1 6.681597 ppm2 3.721787 volume 18300000 weight 1.0           
REMARK dnoe: 2.323251 position 3.907103 4.551772                                
ASSI { 780 }                                                                    
     ( attr rmsd >= 4.491772 and attr rmsd <= 4.611772 )                        
     (( attr rmsd >= 3.867103 and attr rmsd <= 3.947103 )                       
     and bondedto ( attr rmsd >= 63.37891 and attr rmsd <= 64.97891 ))
      2.5 2.5 0.2                                                               
      peak 780 ppm1 4.551772 ppm2 3.907103 volume 48300000 weight 1.0           
REMARK dnoe: 2.263988 position 3.815629 4.549967                                
ASSI { 781 }                                                                    
     ( attr rmsd >= 4.489967 and attr rmsd <= 4.609967 )                        
     (( attr rmsd >= 3.775629 and attr rmsd <= 3.855629 )                       
     and bondedto ( attr rmsd >= 63.29337 and attr rmsd <= 64.89337 ))
      2.5 2.5 0.2                                                               
      peak 781 ppm1 4.549967 ppm2 3.815629 volume 56400000 weight 1.0           
REMARK dnoe: 2.072292 position 3.788687 4.35929                                 
ASSI { 782 }                                                                    
     ( attr rmsd >= 4.29929 and attr rmsd <= 4.41929 )                          
     (( attr rmsd >= 3.748687 and attr rmsd <= 3.828687 )                       
     and bondedto ( attr rmsd >= 63.01840 and attr rmsd <= 64.61840 ))
      2.5 2.5 0.2                                                               
      peak 782 ppm1 4.35929 ppm2 3.788687 volume 95900000 weight 1.0            
REMARK dnoe: 1.988092 position 3.738248 4.357485                                
ASSI { 783 }                                                                    
     ( attr rmsd >= 4.297485 and attr rmsd <= 4.417485 )                        
     (( attr rmsd >= 3.698248 and attr rmsd <= 3.778248 )                       
     and bondedto ( attr rmsd >= 63.01840 and attr rmsd <= 64.61840 ))
      2.5 2.5 0.2                                                               
      peak 783 ppm1 4.357485 ppm2 3.738248 volume 123000000 weight 1.0          
REMARK dnoe: 2.504161 position 3.599127 4.317914                                
ASSI { 784 }                                                                    
     ( attr rmsd >= 4.257914 and attr rmsd <= 4.377914 )                        
     (( attr rmsd >= 3.559127 and attr rmsd <= 3.639127 )                       
     and bondedto ( attr rmsd >= 63.09212 and attr rmsd <= 64.69212 ))
      3.0 3.0 0.5999999                                                         
      peak 784 ppm1 4.317914 ppm2 3.599127 volume 30800000 weight 1.0           
REMARK dnoe: 2.823181 position 3.71834 2.186478                                 
ASSI { 785 }                                                                    
     ( attr rmsd >= 2.126478 and attr rmsd <= 2.246478 )                        
     (( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )                         
     and bondedto ( attr rmsd >= 63.35024 and attr rmsd <= 64.95024 ))
      3.0 3.0 0.5999999                                                         
      peak 785 ppm1 2.186478 ppm2 3.71834 volume 15000001 weight 1.0            
REMARK dnoe: 2.630963 position 3.71834 1.843018                                 
ASSI { 786 }                                                                    
     ( attr rmsd >= 1.783018 and attr rmsd <= 1.903018 )                        
     (( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )                         
     and bondedto ( attr rmsd >= 63.34455 and attr rmsd <= 64.94455 ))
      3.0 3.0 0.5999999                                                         
      peak 786 ppm1 1.843018 ppm2 3.71834 volume 22900000 weight 1.0            
REMARK dnoe: 2.938374 position 3.907103 1.553909                                
ASSI { 787 }                                                                    
     ( attr rmsd >= 1.493909 and attr rmsd <= 1.613909 )                        
     (( attr rmsd >= 3.867103 and attr rmsd <= 3.947103 )                       
     and bondedto ( attr rmsd >= 63.45743 and attr rmsd <= 65.05743 ))
      3.0 3.0 0.5999999                                                         
      peak 787 ppm1 1.553909 ppm2 3.907103 volume 11800000 weight 1.0           
REMARK dnoe: 2.829504 position 3.905157 1.179085                                
ASSI { 788 }                                                                    
     ( attr rmsd >= 1.119085 and attr rmsd <= 1.239085 )                        
     (( attr rmsd >= 3.865157 and attr rmsd <= 3.945157 )                       
     and bondedto ( attr rmsd >= 63.36359 and attr rmsd <= 64.96359 ))
      3.0 3.0 0.5999999                                                         
      peak 788 ppm1 1.179085 ppm2 3.905157 volume 14800000 weight 1.0           
REMARK dnoe: 2.914185 position 3.813683 1.193328                                
ASSI { 789 }                                                                    
     ( attr rmsd >= 1.133328 and attr rmsd <= 1.253328 )                        
     (( attr rmsd >= 3.773683 and attr rmsd <= 3.853683 )                       
     and bondedto ( attr rmsd >= 63.23146 and attr rmsd <= 64.83147 ))
      3.0 3.0 0.5999999                                                         
      peak 789 ppm1 1.193328 ppm2 3.813683 volume 12400000 weight 1.0           
REMARK dnoe: 2.930154 position 3.737803 1.255755                                
ASSI { 790 }                                                                    
     ( attr rmsd >= 1.195755 and attr rmsd <= 1.315755 )                        
     (( attr rmsd >= 3.697803 and attr rmsd <= 3.777803 )                       
     and bondedto ( attr rmsd >= 63.20893 and attr rmsd <= 64.80893 ))
      3.0 3.0 0.5999999                                                         
      peak 790 ppm1 1.255755 ppm2 3.737803 volume 12000000 weight 1.0           
REMARK dnoe: 2.442157 position 3.71834 0.6645823                                
ASSI { 791 }                                                                    
     ( attr rmsd >= 0.6045823 and attr rmsd <= 0.7245823 )                      
     (( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )                         
     and bondedto ( attr rmsd >= 63.33602 and attr rmsd <= 64.93602 ))
      2.5 2.5 0.2                                                               
      peak 791 ppm1 0.6645823 ppm2 3.71834 volume 35800000 weight 1.0           
REMARK dnoe: 3.364074 position 3.905157 0.6645823                               
ASSI { 792 }                                                                    
     ( attr rmsd >= 0.6045823 and attr rmsd <= 0.7245823 )                      
     (( attr rmsd >= 3.865157 and attr rmsd <= 3.945157 )                       
     and bondedto ( attr rmsd >= 63.35747 and attr rmsd <= 64.95747 ))
      3.6 3.6 1.4                                                               
      peak 792 ppm1 0.6645823 ppm2 3.905157 volume 5240000 weight 1.0           
REMARK dnoe: 2.656716 position 3.726125 2.017369                                
ASSI { 793 }                                                                    
     ( attr rmsd >= 1.957369 and attr rmsd <= 2.077369 )                        
     (( attr rmsd >= 3.686125 and attr rmsd <= 3.766125 )                       
     and bondedto ( attr rmsd >= 63.33383 and attr rmsd <= 64.93383 ))
      3.0 3.0 0.5999999                                                         
      peak 793 ppm1 2.017369 ppm2 3.726125 volume 21600000 weight 1.0           
REMARK dnoe: 2.751573 position 3.71834 0.8138843                                
ASSI { 794 }                                                                    
     ( attr rmsd >= 0.7538843 and attr rmsd <= 0.8738843 )                      
     (( attr rmsd >= 3.67834 and attr rmsd <= 3.75834 )                         
     and bondedto ( attr rmsd >= 63.30956 and attr rmsd <= 64.90956 ))
      3.0 3.0 0.5999999                                                         
      peak 794 ppm1 0.8138843 ppm2 3.71834 volume 17500000 weight 1.0           
REMARK dnoe: 2.873195 position 3.726125 0.9595997                               
ASSI { 795 }                                                                    
     ( attr rmsd >= 0.8995997 and attr rmsd <= 1.0196 )                         
     (( attr rmsd >= 3.686125 and attr rmsd <= 3.766125 )                       
     and bondedto ( attr rmsd >= 63.33231 and attr rmsd <= 64.93231 ))
      3.0 3.0 0.5999999                                                         
      peak 795 ppm1 0.9595997 ppm2 3.726125 volume 13500001 weight 1.0          
REMARK dnoe: 3.21794 position 3.814598 2.547726                                 
ASSI { 796 }                                                                    
     ( attr rmsd >= 2.487726 and attr rmsd <= 2.607726 )                        
     (( attr rmsd >= 3.774598 and attr rmsd <= 3.854598 )                       
     and bondedto ( attr rmsd >= 63.38962 and attr rmsd <= 64.98962 ))
      3.6 3.6 1.4                                                               
      peak 796 ppm1 2.547726 ppm2 3.814598 volume 6840000 weight 1.0            
REMARK dnoe: 2.968476 position 3.722257 0.3328948                               
ASSI { 797 }                                                                    
     ( attr rmsd >= 0.2728948 and attr rmsd <= 0.3928948 )                      
     (( attr rmsd >= 3.682257 and attr rmsd <= 3.762257 )                       
     and bondedto ( attr rmsd >= 63.32531 and attr rmsd <= 64.92532 ))
      3.0 3.0 0.5999999                                                         
      peak 797 ppm1 0.3328948 ppm2 3.722257 volume 11100000 weight 1.0          
REMARK dnoe: 3.105323 position 3.602902 8.544332                                
ASSI { 798 }                                                                    
     ( attr rmsd >= 8.484331 and attr rmsd <= 8.604332 )                        
     (( attr rmsd >= 3.562902 and attr rmsd <= 3.642902 )                       
     and bondedto ( attr rmsd >= 63.06040 and attr rmsd <= 64.66040 ))
      3.6 3.6 1.4                                                               
      peak 798 ppm1 8.544332 ppm2 3.602902 volume 8470000 weight 1.0            
REMARK dnoe: 2.910286 position 3.602879 7.706863                                
ASSI { 799 }                                                                    
     ( attr rmsd >= 7.646863 and attr rmsd <= 7.766863 )                        
     (( attr rmsd >= 3.562879 and attr rmsd <= 3.642879 )                       
     and bondedto ( attr rmsd >= 63.08295 and attr rmsd <= 64.68295 ))
      3.0 3.0 0.5999999                                                         
      peak 799 ppm1 7.706863 ppm2 3.602879 volume 12500000 weight 1.0           
REMARK dnoe: 3.704215 position 3.601589 6.67715                                 
ASSI { 800 }                                                                    
     ( attr rmsd >= 6.61715 and attr rmsd <= 6.73715 )                          
     (( attr rmsd >= 3.561589 and attr rmsd <= 3.641589 )                       
     and bondedto ( attr rmsd >= 63.10065 and attr rmsd <= 64.70065 ))
      4.2 4.2 1.8                                                               
      peak 800 ppm1 6.67715 ppm2 3.601589 volume 2940000 weight 1.0             
REMARK dnoe: 3.552265 position 3.61268 8.335997                                 
ASSI { 801 }                                                                    
     ( attr rmsd >= 8.275996 and attr rmsd <= 8.395997 )                        
     (( attr rmsd >= 3.57268 and attr rmsd <= 3.65268 )                         
     and bondedto ( attr rmsd >= 63.13062 and attr rmsd <= 64.73062 ))
      3.6 3.6 1.4                                                               
      peak 801 ppm1 8.335997 ppm2 3.61268 volume 3780000 weight 1.0             
REMARK dnoe: 2.938374 position 3.604661 1.740999                                
ASSI { 802 }                                                                    
     ( attr rmsd >= 1.680999 and attr rmsd <= 1.800999 )                        
     (( attr rmsd >= 3.564661 and attr rmsd <= 3.644661 )                       
     and bondedto ( attr rmsd >= 62.98319 and attr rmsd <= 64.58319 ))
      3.0 3.0 0.5999999                                                         
      peak 802 ppm1 1.740999 ppm2 3.604661 volume 11800000 weight 1.0           
REMARK dnoe: 2.942544 position 3.604661 1.090169                                
ASSI { 803 }                                                                    
     ( attr rmsd >= 1.030169 and attr rmsd <= 1.150169 )                        
     (( attr rmsd >= 3.564661 and attr rmsd <= 3.644661 )                       
     and bondedto ( attr rmsd >= 62.95563 and attr rmsd <= 64.55563 ))
      3.0 3.0 0.5999999                                                         
      peak 803 ppm1 1.090169 ppm2 3.604661 volume 11700000 weight 1.0           
REMARK dnoe: 3.046492 position 3.607241 0.7695022                               
ASSI { 804 }                                                                    
     ( attr rmsd >= 0.7095022 and attr rmsd <= 0.8295022 )                      
     (( attr rmsd >= 3.567241 and attr rmsd <= 3.647241 )                       
     and bondedto ( attr rmsd >= 62.96525 and attr rmsd <= 64.56525 ))
      3.6 3.6 1.4                                                               
      peak 804 ppm1 0.7695022 ppm2 3.607241 volume 9500000 weight 1.0           
REMARK dnoe: 3.203279 position 3.607241 0.6222191                               
ASSI { 805 }                                                                    
     ( attr rmsd >= 0.5622191 and attr rmsd <= 0.6822191 )                      
     (( attr rmsd >= 3.567241 and attr rmsd <= 3.647241 )                       
     and bondedto ( attr rmsd >= 62.93726 and attr rmsd <= 64.53726 ))
      3.6 3.6 1.4                                                               
      peak 805 ppm1 0.6222191 ppm2 3.607241 volume 7030000 weight 1.0           
REMARK dnoe: 3.309528 position 3.602082 0.3182011                               
ASSI { 806 }                                                                    
     ( attr rmsd >= 0.2582011 and attr rmsd <= 0.3782011 )                      
     (( attr rmsd >= 3.562082 and attr rmsd <= 3.642082 )                       
     and bondedto ( attr rmsd >= 62.95191 and attr rmsd <= 64.55191 ))
      3.6 3.6 1.4                                                               
      peak 806 ppm1 0.3182011 ppm2 3.602082 volume 5780000 weight 1.0           
REMARK dnoe: 3.282635 position 1.724844 8.614408                                
ASSI { 807 }                                                                    
     ( attr rmsd >= 8.554407 and attr rmsd <= 8.674408 )                        
     (( attr rmsd >= 1.684844 and attr rmsd <= 1.764844 )                       
     and bondedto ( attr rmsd >= 34.23590 and attr rmsd <= 35.83590 ))
      3.6 3.6 1.4                                                               
      peak 807 ppm1 8.614408 ppm2 1.724844 volume 6070000 weight 1.0            
REMARK dnoe: 3.12277 position 1.537699 8.612238                                 
ASSI { 808 }                                                                    
     ( attr rmsd >= 8.552238 and attr rmsd <= 8.672238 )                        
     (( attr rmsd >= 1.497699 and attr rmsd <= 1.577699 )                       
     and bondedto ( attr rmsd >= 34.28052 and attr rmsd <= 35.88052 ))
      3.6 3.6 1.4                                                               
      peak 808 ppm1 8.612238 ppm2 1.537699 volume 8190000 weight 1.0            
REMARK dnoe: 3.67362 position 1.533643 7.708625                                 
ASSI { 809 }                                                                    
     ( attr rmsd >= 7.648625 and attr rmsd <= 7.768625 )                        
     (( attr rmsd >= 1.493643 and attr rmsd <= 1.573643 )                       
     and bondedto ( attr rmsd >= 34.34746 and attr rmsd <= 35.94746 ))
      4.2 4.2 1.8                                                               
      peak 809 ppm1 7.708625 ppm2 1.533643 volume 0.309e+07 weight 1.0          
REMARK dnoe: 3.216375 position 1.73094 7.706455                                 
ASSI { 810 }                                                                    
     ( attr rmsd >= 7.646455 and attr rmsd <= 7.766455 )                        
     (( attr rmsd >= 1.69094 and attr rmsd <= 1.77094 )                         
     and bondedto ( attr rmsd >= 34.32515 and attr rmsd <= 35.92515 ))
      3.6 3.6 1.4                                                               
      peak 810 ppm1 7.706455 ppm2 1.73094 volume 6860000 weight 1.0             
REMARK dnoe: 2.361429 position 1.730166 4.41233                                 
ASSI { 811 }                                                                    
     ( attr rmsd >= 4.35233 and attr rmsd <= 4.47233 )                          
     (( attr rmsd >= 1.690166 and attr rmsd <= 1.770166 )                       
     and bondedto ( attr rmsd >= 34.36956 and attr rmsd <= 35.96956 ))
      2.5 2.5 0.2                                                               
      peak 811 ppm1 4.41233 ppm2 1.730166 volume 43800000 weight 1.0            
REMARK dnoe: 2.429869 position 1.536362 4.41581                                 
ASSI { 812 }                                                                    
     ( attr rmsd >= 4.35581 and attr rmsd <= 4.47581 )                          
     (( attr rmsd >= 1.496362 and attr rmsd <= 1.576362 )                       
     and bondedto ( attr rmsd >= 34.31924 and attr rmsd <= 35.91924 ))
      2.5 2.5 0.2                                                               
      peak 812 ppm1 4.41581 ppm2 1.536362 volume 36900000 weight 1.0            
REMARK dnoe: 2.770357 position 1.770944 5.626791                                
ASSI { 813 }                                                                    
     ( attr rmsd >= 5.566791 and attr rmsd <= 5.686791 )                        
     (( attr rmsd >= 1.730944 and attr rmsd <= 1.810944 )                       
     and bondedto ( attr rmsd >= 33.96838 and attr rmsd <= 35.56838 ))
      3.0 3.0 0.5999999                                                         
      peak 813 ppm1 5.626791 ppm2 1.770944 volume 16800000 weight 1.0           
REMARK dnoe: 2.638701 position 1.726532 1.086797                                
ASSI { 814 }                                                                    
     ( attr rmsd >= 1.026797 and attr rmsd <= 1.146797 )                        
     (( attr rmsd >= 1.686532 and attr rmsd <= 1.766532 )                       
     and bondedto ( attr rmsd >= 34.33280 and attr rmsd <= 35.93280 ))
      3.0 3.0 0.5999999                                                         
      peak 814 ppm1 1.086797 ppm2 1.726532 volume 22500000 weight 1.0           
REMARK dnoe: 2.671343 position 1.535283 1.086797                                
ASSI { 815 }                                                                    
     ( attr rmsd >= 1.026797 and attr rmsd <= 1.146797 )                        
     (( attr rmsd >= 1.495283 and attr rmsd <= 1.575283 )                       
     and bondedto ( attr rmsd >= 34.35643 and attr rmsd <= 35.95643 ))
      3.0 3.0 0.5999999                                                         
      peak 815 ppm1 1.086797 ppm2 1.535283 volume 20900000 weight 1.0           
REMARK dnoe: 2.044475 position 1.726532 1.525402                                
ASSI { 816 }                                                                    
     ( attr rmsd >= 1.465402 and attr rmsd <= 1.585402 )                        
     (( attr rmsd >= 1.686532 and attr rmsd <= 1.766532 )                       
     and bondedto ( attr rmsd >= 34.30328 and attr rmsd <= 35.90328 ))
      2.5 2.5 0.2                                                               
      peak 816 ppm1 1.525402 ppm2 1.726532 volume 104000000 weight 1.0          
REMARK dnoe: 2.204335 position 1.535283 1.718507                                
ASSI { 817 }                                                                    
     ( attr rmsd >= 1.658507 and attr rmsd <= 1.778507 )                        
     (( attr rmsd >= 1.495283 and attr rmsd <= 1.575283 )                       
     and bondedto ( attr rmsd >= 34.32843 and attr rmsd <= 35.92843 ))
      2.5 2.5 0.2                                                               
      peak 817 ppm1 1.718507 ppm2 1.535283 volume 66200000 weight 1.0           
REMARK dnoe: 2.004732 position 1.771366 1.933502                                
ASSI { 818 }                                                                    
     ( attr rmsd >= 1.873502 and attr rmsd <= 1.993502 )                        
     (( attr rmsd >= 1.731366 and attr rmsd <= 1.811366 )                       
     and bondedto ( attr rmsd >= 33.96838 and attr rmsd <= 35.56838 ))
      2.5 2.5 0.2                                                               
      peak 818 ppm1 1.933502 ppm2 1.771366 volume 117000000 weight 1.0          
REMARK dnoe: 2.558149 position 1.747448 0.6842175                               
ASSI { 819 }                                                                    
     ( attr rmsd >= 0.6242175 and attr rmsd <= 0.7442175 )                      
     (( attr rmsd >= 1.707448 and attr rmsd <= 1.787448 )                       
     and bondedto ( attr rmsd >= 34.07972 and attr rmsd <= 35.67972 ))
      3.0 3.0 0.5999999                                                         
      peak 819 ppm1 0.6842175 ppm2 1.747448 volume 27100000 weight 1.0          
REMARK dnoe: 3.392729 position 1.541263 0.6261072                               
ASSI { 820 }                                                                    
     ( attr rmsd >= 0.5661072 and attr rmsd <= 0.6861072 )                      
     (( attr rmsd >= 1.501263 and attr rmsd <= 1.581263 )                       
     and bondedto ( attr rmsd >= 34.36146 and attr rmsd <= 35.96146 ))
      3.6 3.6 1.4                                                               
      peak 820 ppm1 0.6261072 ppm2 1.541263 volume 4980000 weight 1.0           
REMARK dnoe: 2.669218 position 3.971634 8.932905                                
ASSI { 821 }                                                                    
     ( attr rmsd >= 8.872905 and attr rmsd <= 8.992906 )                        
     (( attr rmsd >= 3.931634 and attr rmsd <= 4.011634 )                       
     and bondedto ( attr rmsd >= 62.86485 and attr rmsd <= 64.46485 ))
      3.0 3.0 0.5999999                                                         
      peak 821 ppm1 8.932905 ppm2 3.971634 volume 21000000 weight 1.0           
REMARK dnoe: 3.183949 position 3.971189 6.562606                                
ASSI { 822 }                                                                    
     ( attr rmsd >= 6.502606 and attr rmsd <= 6.622606 )                        
     (( attr rmsd >= 3.931189 and attr rmsd <= 4.011189 )                       
     and bondedto ( attr rmsd >= 62.79660 and attr rmsd <= 64.39660 ))
      3.6 3.6 1.4                                                               
      peak 822 ppm1 6.562606 ppm2 3.971189 volume 0.729e+07 weight 1.0          
REMARK dnoe: 3.57468 position 4.350707 9.45673                                  
ASSI { 823 }                                                                    
     ( attr rmsd >= 9.396729 and attr rmsd <= 9.51673 )                         
     (( attr rmsd >= 4.310707 and attr rmsd <= 4.390707 )                       
     and bondedto ( attr rmsd >= 62.28408 and attr rmsd <= 63.88408 ))
      3.6 3.6 1.4                                                               
      peak 823 ppm1 9.45673 ppm2 4.350707 volume 3640000 weight 1.0             
REMARK dnoe: 2.823181 position 4.35338 8.373912                                 
ASSI { 824 }                                                                    
     ( attr rmsd >= 8.313911 and attr rmsd <= 8.433912 )                        
     (( attr rmsd >= 4.31338 and attr rmsd <= 4.39338 )                         
     and bondedto ( attr rmsd >= 62.16268 and attr rmsd <= 63.76268 ))
      3.0 3.0 0.5999999                                                         
      peak 824 ppm1 8.373912 ppm2 4.35338 volume 15000001 weight 1.0            
REMARK dnoe: 2.855832 position 4.489547 7.902052                                
ASSI { 825 }                                                                    
     ( attr rmsd >= 7.842052 and attr rmsd <= 7.962052 )                        
     (( attr rmsd >= 4.449547 and attr rmsd <= 4.529547 )                       
     and bondedto ( attr rmsd >= 62.21124 and attr rmsd <= 63.81124 ))
      3.0 3.0 0.5999999                                                         
      peak 825 ppm1 7.902052 ppm2 4.489547 volume 14000000 weight 1.0           
REMARK dnoe: 2.17269 position 4.356053 2.196876                                 
ASSI { 826 }                                                                    
     ( attr rmsd >= 2.136876 and attr rmsd <= 2.256876 )                        
     (( attr rmsd >= 4.316053 and attr rmsd <= 4.396053 )                       
     and bondedto ( attr rmsd >= 62.21453 and attr rmsd <= 63.81453 ))
      2.5 2.5 0.2                                                               
      peak 826 ppm1 2.196876 ppm2 4.356053 volume 72200000 weight 1.0           
REMARK dnoe: 2.289013 position 4.356545 1.93593                                 
ASSI { 827 }                                                                    
     ( attr rmsd >= 1.87593 and attr rmsd <= 1.99593 )                          
     (( attr rmsd >= 4.316545 and attr rmsd <= 4.396545 )                       
     and bondedto ( attr rmsd >= 62.25324 and attr rmsd <= 63.85324 ))
      2.5 2.5 0.2                                                               
      peak 827 ppm1 1.93593 ppm2 4.356545 volume 52800000 weight 1.0            
REMARK dnoe: 2.320855 position 4.353778 1.784564                                
ASSI { 828 }                                                                    
     ( attr rmsd >= 1.724564 and attr rmsd <= 1.844564 )                        
     (( attr rmsd >= 4.313778 and attr rmsd <= 4.393778 )                       
     and bondedto ( attr rmsd >= 62.23465 and attr rmsd <= 63.83465 ))
      2.5 2.5 0.2                                                               
      peak 828 ppm1 1.784564 ppm2 4.353778 volume 48600000 weight 1.0           
REMARK dnoe: 2.603289 position 4.348033 1.158547                                
ASSI { 829 }                                                                    
     ( attr rmsd >= 1.098547 and attr rmsd <= 1.218547 )                        
     (( attr rmsd >= 4.308033 and attr rmsd <= 4.388033 )                       
     and bondedto ( attr rmsd >= 62.22130 and attr rmsd <= 63.82130 ))
      3.0 3.0 0.5999999                                                         
      peak 829 ppm1 1.158547 ppm2 4.348033 volume 24400000 weight 1.0           
REMARK dnoe: 2.895048 position 4.49487 1.135433                                 
ASSI { 830 }                                                                    
     ( attr rmsd >= 1.075433 and attr rmsd <= 1.195433 )                        
     (( attr rmsd >= 4.45487 and attr rmsd <= 4.53487 )                         
     and bondedto ( attr rmsd >= 62.20599 and attr rmsd <= 63.80599 ))
      3.0 3.0 0.5999999                                                         
      peak 830 ppm1 1.135433 ppm2 4.49487 volume 12899999 weight 1.0            
REMARK dnoe: 2.748961 position 4.487624 2.337005                                
ASSI { 831 }                                                                    
     ( attr rmsd >= 2.277005 and attr rmsd <= 2.397005 )                        
     (( attr rmsd >= 4.447624 and attr rmsd <= 4.527624 )                       
     and bondedto ( attr rmsd >= 62.21955 and attr rmsd <= 63.81955 ))
      3.0 3.0 0.5999999                                                         
      peak 831 ppm1 2.337005 ppm2 4.487624 volume 17600000 weight 1.0           
REMARK dnoe: 2.866161 position 4.495902 2.208176                                
ASSI { 832 }                                                                    
     ( attr rmsd >= 2.148176 and attr rmsd <= 2.268176 )                        
     (( attr rmsd >= 4.455902 and attr rmsd <= 4.535902 )                       
     and bondedto ( attr rmsd >= 62.20512 and attr rmsd <= 63.80512 ))
      3.0 3.0 0.5999999                                                         
      peak 832 ppm1 2.208176 ppm2 4.495902 volume 13699999 weight 1.0           
REMARK dnoe: 2.673479 position 4.49222 1.996574                                 
ASSI { 833 }                                                                    
     ( attr rmsd >= 1.936574 and attr rmsd <= 2.056574 )                        
     (( attr rmsd >= 4.45222 and attr rmsd <= 4.53222 )                         
     and bondedto ( attr rmsd >= 62.23421 and attr rmsd <= 63.83421 ))
      3.0 3.0 0.5999999                                                         
      peak 833 ppm1 1.996574 ppm2 4.49222 volume 20800000 weight 1.0            
REMARK dnoe: 2.675627 position 4.49222 1.802459                                 
ASSI { 834 }                                                                    
     ( attr rmsd >= 1.742459 and attr rmsd <= 1.862459 )                        
     (( attr rmsd >= 4.45222 and attr rmsd <= 4.53222 )                         
     and bondedto ( attr rmsd >= 62.20030 and attr rmsd <= 63.80030 ))
      3.0 3.0 0.5999999                                                         
      peak 834 ppm1 1.802459 ppm2 4.49222 volume 20700000 weight 1.0            
REMARK dnoe: 2.407557 position 4.344141 1.887508                                
ASSI { 836 }                                                                    
     ( attr rmsd >= 1.827508 and attr rmsd <= 1.947508 )                        
     (( attr rmsd >= 4.304141 and attr rmsd <= 4.384141 )                       
     and bondedto ( attr rmsd >= 62.85829 and attr rmsd <= 64.45829 ))
      2.5 2.5 0.2                                                               
      peak 836 ppm1 1.887508 ppm2 4.344141 volume 39000000 weight 1.0           
REMARK dnoe: 2.194501 position 4.353146 2.227617                                
ASSI { 837 }                                                                    
     ( attr rmsd >= 2.167617 and attr rmsd <= 2.287617 )                        
     (( attr rmsd >= 4.313146 and attr rmsd <= 4.393146 )                       
     and bondedto ( attr rmsd >= 62.75460 and attr rmsd <= 64.35460 ))
      2.5 2.5 0.2                                                               
      peak 837 ppm1 2.227617 ppm2 4.353146 volume 68000000 weight 1.0           
REMARK dnoe: 2.610471 position 4.508283 1.887465                                
ASSI { 838 }                                                                    
     ( attr rmsd >= 1.827465 and attr rmsd <= 1.947465 )                        
     (( attr rmsd >= 4.468283 and attr rmsd <= 4.548283 )                       
     and bondedto ( attr rmsd >= 62.21781 and attr rmsd <= 63.81781 ))
      3.0 3.0 0.5999999                                                         
      peak 838 ppm1 1.887465 ppm2 4.508283 volume 24000000 weight 1.0           
REMARK dnoe: 2.938374 position 1.770452 9.407385                                
ASSI { 839 }                                                                    
     ( attr rmsd >= 9.347384 and attr rmsd <= 9.467385 )                        
     (( attr rmsd >= 1.730452 and attr rmsd <= 1.810452 )                       
     and bondedto ( attr rmsd >= 33.96707 and attr rmsd <= 35.56707 ))
      3.0 3.0 0.5999999                                                         
      peak 839 ppm1 9.407385 ppm2 1.770452 volume 11800000 weight 1.0           
REMARK dnoe: 3.373801 position 1.770452 9.129125                                
ASSI { 840 }                                                                    
     ( attr rmsd >= 9.069124 and attr rmsd <= 9.189125 )                        
     (( attr rmsd >= 1.730452 and attr rmsd <= 1.810452 )                       
     and bondedto ( attr rmsd >= 34.00753 and attr rmsd <= 35.60753 ))
      3.6 3.6 1.4                                                               
      peak 840 ppm1 9.129125 ppm2 1.770452 volume 5150000 weight 1.0            
REMARK dnoe: 2.938374 position 1.770452 7.816939                                
ASSI { 841 }                                                                    
     ( attr rmsd >= 7.756939 and attr rmsd <= 7.876939 )                        
     (( attr rmsd >= 1.730452 and attr rmsd <= 1.810452 )                       
     and bondedto ( attr rmsd >= 33.99135 and attr rmsd <= 35.59135 ))
      3.0 3.0 0.5999999                                                         
      peak 841 ppm1 7.816939 ppm2 1.770452 volume 11800000 weight 1.0           
REMARK dnoe: 3.453088 position 1.773054 6.105268                                
ASSI { 842 }                                                                    
     ( attr rmsd >= 6.045268 and attr rmsd <= 6.165268 )                        
     (( attr rmsd >= 1.733054 and attr rmsd <= 1.813054 )                       
     and bondedto ( attr rmsd >= 33.99441 and attr rmsd <= 35.59441 ))
      3.6 3.6 1.4                                                               
      peak 842 ppm1 6.105268 ppm2 1.773054 volume 4480000 weight 1.0            
REMARK dnoe: 2.982062 position 1.772937 4.122662                                
ASSI { 843 }                                                                    
     ( attr rmsd >= 4.062662 and attr rmsd <= 4.182662 )                        
     (( attr rmsd >= 1.732937 and attr rmsd <= 1.812937 )                       
     and bondedto ( attr rmsd >= 34.05325 and attr rmsd <= 35.65325 ))
      3.0 3.0 0.5999999                                                         
      peak 843 ppm1 4.122662 ppm2 1.772937 volume 10800000 weight 1.0           
REMARK dnoe: 3.068975 position 1.597915 1.235046                                
ASSI { 844 }                                                                    
     ( attr rmsd >= 1.175046 and attr rmsd <= 1.295046 )                        
     (( attr rmsd >= 1.557915 and attr rmsd <= 1.637915 )                       
     and bondedto ( attr rmsd >= 33.72907 and attr rmsd <= 35.32907 ))
      3.6 3.6 1.4                                                               
      peak 844 ppm1 1.235046 ppm2 1.597915 volume 9090000 weight 1.0            
REMARK dnoe: 3.099858 position 1.253031 1.587808                                
ASSI { 845 }                                                                    
     ( attr rmsd >= 1.527808 and attr rmsd <= 1.647808 )                        
     (( attr rmsd >= 1.213031 and attr rmsd <= 1.293031 )                       
     and bondedto ( attr rmsd >= 33.71464 and attr rmsd <= 35.31464 ))
      3.6 3.6 1.4                                                               
      peak 845 ppm1 1.587808 ppm2 1.253031 volume 8560000 weight 1.0            
REMARK dnoe: 2.190228 position 1.922235 0.8334768                               
ASSI { 846 }                                                                    
     ( attr rmsd >= 0.7734768 and attr rmsd <= 0.8934768 )                      
     (( attr rmsd >= 1.882235 and attr rmsd <= 1.962235 )                       
     and bondedto ( attr rmsd >= 33.29990 and attr rmsd <= 34.89990 ))
      2.5 2.5 0.2                                                               
      peak 846 ppm1 0.8334768 ppm2 1.922235 volume 68800000 weight 1.0          
REMARK dnoe: 1.996291 position 1.91309 0.736505                                 
ASSI { 847 }                                                                    
     ( attr rmsd >= 0.676505 and attr rmsd <= 0.796505 )                        
     (( attr rmsd >= 1.87309 and attr rmsd <= 1.95309 )                         
     and bondedto ( attr rmsd >= 33.32309 and attr rmsd <= 34.92309 ))
      2.5 2.5 0.2                                                               
      peak 847 ppm1 0.736505 ppm2 1.91309 volume 120000000 weight 1.0           
REMARK dnoe: 2.484393 position 4.040268 9.221306                                
ASSI { 848 }                                                                    
     ( attr rmsd >= 9.161305 and attr rmsd <= 9.281306 )                        
     (( attr rmsd >= 4.000268 and attr rmsd <= 4.080268 )                       
     and bondedto ( attr rmsd >= 61.22690 and attr rmsd <= 62.82690 ))
      2.5 2.5 0.2                                                               
      peak 848 ppm1 9.221306 ppm2 4.040268 volume 32300002 weight 1.0           
REMARK dnoe: 3.020559 position 4.041254 8.116812                                
ASSI { 849 }                                                                    
     ( attr rmsd >= 8.056811 and attr rmsd <= 8.176812 )                        
     (( attr rmsd >= 4.001254 and attr rmsd <= 4.081254 )                       
     and bondedto ( attr rmsd >= 61.17134 and attr rmsd <= 62.77134 ))
      3.6 3.6 1.4                                                               
      peak 849 ppm1 8.116812 ppm2 4.041254 volume 10000000 weight 1.0           
REMARK dnoe: 2.320855 position 3.835983 8.114341                                
ASSI { 850 }                                                                    
     ( attr rmsd >= 8.05434 and attr rmsd <= 8.174341 )                         
     (( attr rmsd >= 3.795983 and attr rmsd <= 3.875983 )                       
     and bondedto ( attr rmsd >= 61.04337 and attr rmsd <= 62.64337 ))
      2.5 2.5 0.2                                                               
      peak 850 ppm1 8.114341 ppm2 3.835983 volume 48600000 weight 1.0           
REMARK dnoe: 3.207092 position 3.840579 7.130621                                
ASSI { 851 }                                                                    
     ( attr rmsd >= 7.070621 and attr rmsd <= 7.190621 )                        
     (( attr rmsd >= 3.800579 and attr rmsd <= 3.880579 )                       
     and bondedto ( attr rmsd >= 61.03221 and attr rmsd <= 62.63221 ))
      3.6 3.6 1.4                                                               
      peak 851 ppm1 7.130621 ppm2 3.840579 volume 6980000 weight 1.0            
REMARK dnoe: 2.667106 position 4.0413 1.717368                                  
ASSI { 852 }                                                                    
     ( attr rmsd >= 1.657368 and attr rmsd <= 1.777368 )                        
     (( attr rmsd >= 4.0013 and attr rmsd <= 4.0813 )                           
     and bondedto ( attr rmsd >= 61.22865 and attr rmsd <= 62.82865 ))
      3.0 3.0 0.5999999                                                         
      peak 852 ppm1 1.717368 ppm2 4.0413 volume 21100000 weight 1.0             
REMARK dnoe: 2.636752 position 4.040667 1.172662                                
ASSI { 853 }                                                                    
     ( attr rmsd >= 1.112662 and attr rmsd <= 1.232662 )                        
     (( attr rmsd >= 4.000667 and attr rmsd <= 4.080667 )                       
     and bondedto ( attr rmsd >= 61.16258 and attr rmsd <= 62.76258 ))
      3.0 3.0 0.5999999                                                         
      peak 853 ppm1 1.172662 ppm2 4.040667 volume 22600000 weight 1.0           
REMARK dnoe: 2.231558 position 4.040808 0.7632506                               
ASSI { 854 }                                                                    
     ( attr rmsd >= 0.7032506 and attr rmsd <= 0.8232506 )                      
     (( attr rmsd >= 4.000808 and attr rmsd <= 4.080808 )                       
     and bondedto ( attr rmsd >= 61.19255 and attr rmsd <= 62.79255 ))
      2.5 2.5 0.2                                                               
      peak 854 ppm1 0.7632506 ppm2 4.040808 volume 61500000 weight 1.0          
REMARK dnoe: 2.374249 position 3.833638 0.7183309                               
ASSI { 855 }                                                                    
     ( attr rmsd >= 0.6583309 and attr rmsd <= 0.7783309 )                      
     (( attr rmsd >= 3.793638 and attr rmsd <= 3.873638 )                       
     and bondedto ( attr rmsd >= 61.04491 and attr rmsd <= 62.64491 ))
      2.5 2.5 0.2                                                               
      peak 855 ppm1 0.7183309 ppm2 3.833638 volume 42400000 weight 1.0          
REMARK dnoe: 2.553459 position 3.83338 0.1014009                                
ASSI { 856 }                                                                    
     ( attr rmsd >= 0.0414009 and attr rmsd <= 0.1614009 )                      
     (( attr rmsd >= 3.79338 and attr rmsd <= 3.87338 )                         
     and bondedto ( attr rmsd >= 61.01865 and attr rmsd <= 62.61865 ))
      3.0 3.0 0.5999999                                                         
      peak 856 ppm1 0.1014009 ppm2 3.83338 volume 27399998 weight 1.0           
REMARK dnoe: 2.629053 position 1.911238 8.75836                                 
ASSI { 857 }                                                                    
     ( attr rmsd >= 8.698359 and attr rmsd <= 8.81836 )                         
     (( attr rmsd >= 1.871238 and attr rmsd <= 1.951238 )                       
     and bondedto ( attr rmsd >= 33.46177 and attr rmsd <= 35.06177 ))
      3.0 3.0 0.5999999                                                         
      peak 857 ppm1 8.75836 ppm2 1.911238 volume 23000000 weight 1.0            
REMARK dnoe: 2.686553 position 1.863988 7.14394                                 
ASSI { 858 }                                                                    
     ( attr rmsd >= 7.08394 and attr rmsd <= 7.20394 )                          
     (( attr rmsd >= 1.823988 and attr rmsd <= 1.903988 )                       
     and bondedto ( attr rmsd >= 32.95253 and attr rmsd <= 34.55253 ))
      3.0 3.0 0.5999999                                                         
      peak 858 ppm1 7.14394 ppm2 1.863988 volume 20200000 weight 1.0            
REMARK dnoe: 2.41274 position 1.864458 6.880351                                 
ASSI { 859 }                                                                    
     ( attr rmsd >= 6.820351 and attr rmsd <= 6.940351 )                        
     (( attr rmsd >= 1.824458 and attr rmsd <= 1.904458 )                       
     and bondedto ( attr rmsd >= 32.95253 and attr rmsd <= 34.55253 ))
      2.5 2.5 0.2                                                               
      peak 859 ppm1 6.880351 ppm2 1.864458 volume 38500000 weight 1.0           
REMARK dnoe: 3.378189 position 2.307733 7.300611                                
ASSI { 860 }                                                                    
     ( attr rmsd >= 7.240611 and attr rmsd <= 7.360611 )                        
     (( attr rmsd >= 2.267733 and attr rmsd <= 2.347733 )                       
     and bondedto ( attr rmsd >= 33.27671 and attr rmsd <= 34.87671 ))
      3.6 3.6 1.4                                                               
      peak 860 ppm1 7.300611 ppm2 2.307733 volume 5110000 weight 1.0            
REMARK dnoe: 2.883976 position 2.302809 8.458897                                
ASSI { 861 }                                                                    
     ( attr rmsd >= 8.398896 and attr rmsd <= 8.518897 )                        
     (( attr rmsd >= 2.262809 and attr rmsd <= 2.342809 )                       
     and bondedto ( attr rmsd >= 33.04506 and attr rmsd <= 34.64506 ))
      3.0 3.0 0.5999999                                                         
      peak 861 ppm1 8.458897 ppm2 2.302809 volume 13200000 weight 1.0           
REMARK dnoe: 3.044892 position 2.202003 7.281191                                
ASSI { 862 }                                                                    
     ( attr rmsd >= 7.221191 and attr rmsd <= 7.341191 )                        
     (( attr rmsd >= 2.162003 and attr rmsd <= 2.242003 )                       
     and bondedto ( attr rmsd >= 33.18396 and attr rmsd <= 34.78396 ))
      3.6 3.6 1.4                                                               
      peak 862 ppm1 7.281191 ppm2 2.202003 volume 9530000 weight 1.0            
REMARK dnoe: 2.845758 position 2.206903 8.458876                                
ASSI { 863 }                                                                    
     ( attr rmsd >= 8.398875 and attr rmsd <= 8.518876 )                        
     (( attr rmsd >= 2.166903 and attr rmsd <= 2.246903 )                       
     and bondedto ( attr rmsd >= 33.04506 and attr rmsd <= 34.64506 ))
      3.0 3.0 0.5999999                                                         
      peak 863 ppm1 8.458876 ppm2 2.206903 volume 14300001 weight 1.0           
REMARK dnoe: 2.711742 position 3.620395 6.591994                                
ASSI { 864 }                                                                    
     ( attr rmsd >= 6.531994 and attr rmsd <= 6.651994 )                        
     (( attr rmsd >= 3.580395 and attr rmsd <= 3.660395 )                       
     and bondedto ( attr rmsd >= 33.34605 and attr rmsd <= 34.94605 ))
      3.0 3.0 0.5999999                                                         
      peak 864 ppm1 6.591994 ppm2 3.620395 volume 19100000 weight 1.0           
REMARK dnoe: 2.707039 position 3.251124 6.603251                                
ASSI { 865 }                                                                    
     ( attr rmsd >= 6.543251 and attr rmsd <= 6.663251 )                        
     (( attr rmsd >= 3.211124 and attr rmsd <= 3.291124 )                       
     and bondedto ( attr rmsd >= 33.39242 and attr rmsd <= 34.99242 ))
      3.0 3.0 0.5999999                                                         
      peak 865 ppm1 6.603251 ppm2 3.251124 volume 19300000 weight 1.0           
REMARK dnoe: 2.642631 position 3.251124 6.767719                                
ASSI { 866 }                                                                    
     ( attr rmsd >= 6.707719 and attr rmsd <= 6.827719 )                        
     (( attr rmsd >= 3.211124 and attr rmsd <= 3.291124 )                       
     and bondedto ( attr rmsd >= 33.34605 and attr rmsd <= 34.94605 ))
      3.0 3.0 0.5999999                                                         
      peak 866 ppm1 6.767719 ppm2 3.251124 volume 22300000 weight 1.0           
REMARK dnoe: 2.707039 position 3.623397 6.756441                                
ASSI { 867 }                                                                    
     ( attr rmsd >= 6.696441 and attr rmsd <= 6.816441 )                        
     (( attr rmsd >= 3.583397 and attr rmsd <= 3.663397 )                       
     and bondedto ( attr rmsd >= 33.39242 and attr rmsd <= 34.99242 ))
      3.0 3.0 0.5999999                                                         
      peak 867 ppm1 6.756441 ppm2 3.623397 volume 19300000 weight 1.0           
REMARK dnoe: 2.914185 position 3.61186 3.257438                                 
ASSI { 868 }                                                                    
     ( attr rmsd >= 3.197438 and attr rmsd <= 3.317438 )                        
     (( attr rmsd >= 3.57186 and attr rmsd <= 3.65186 )                         
     and bondedto ( attr rmsd >= 33.41365 and attr rmsd <= 35.01365 ))
      3.0 3.0 0.5999999                                                         
      peak 868 ppm1 3.257438 ppm2 3.61186 volume 12400000 weight 1.0            
REMARK dnoe: 2.792977 position 3.264255 3.610522                                
ASSI { 869 }                                                                    
     ( attr rmsd >= 3.550522 and attr rmsd <= 3.670522 )                        
     (( attr rmsd >= 3.224255 and attr rmsd <= 3.304255 )                       
     and bondedto ( attr rmsd >= 33.27802 and attr rmsd <= 34.87802 ))
      3.0 3.0 0.5999999                                                         
      peak 869 ppm1 3.610522 ppm2 3.264255 volume 16000000 weight 1.0           
REMARK dnoe: 2.625262 position 1.909455 4.833577                                
ASSI { 870 }                                                                    
     ( attr rmsd >= 4.773577 and attr rmsd <= 4.893577 )                        
     (( attr rmsd >= 1.869455 and attr rmsd <= 1.949455 )                       
     and bondedto ( attr rmsd >= 33.40730 and attr rmsd <= 35.00730 ))
      3.0 3.0 0.5999999                                                         
      peak 870 ppm1 4.833577 ppm2 1.909455 volume 23200000 weight 1.0           
REMARK dnoe: 2.556579 position 1.910698 4.563136                                
ASSI { 871 }                                                                    
     ( attr rmsd >= 4.503136 and attr rmsd <= 4.623136 )                        
     (( attr rmsd >= 1.870698 and attr rmsd <= 1.950698 )                       
     and bondedto ( attr rmsd >= 33.32330 and attr rmsd <= 34.92330 ))
      3.0 3.0 0.5999999                                                         
      peak 871 ppm1 4.563136 ppm2 1.910698 volume 27200002 weight 1.0           
REMARK dnoe: 2.522224 position 2.29894 4.591664                                 
ASSI { 872 }                                                                    
     ( attr rmsd >= 4.531664 and attr rmsd <= 4.651664 )                        
     (( attr rmsd >= 2.25894 and attr rmsd <= 2.33894 )                         
     and bondedto ( attr rmsd >= 33.07437 and attr rmsd <= 34.67437 ))
      3.0 3.0 0.5999999                                                         
      peak 872 ppm1 4.591664 ppm2 2.29894 volume 29499998 weight 1.0            
REMARK dnoe: 2.559725 position 2.20756 4.591428                                 
ASSI { 873 }                                                                    
     ( attr rmsd >= 4.531428 and attr rmsd <= 4.651428 )                        
     (( attr rmsd >= 2.16756 and attr rmsd <= 2.24756 )                         
     and bondedto ( attr rmsd >= 33.09690 and attr rmsd <= 34.69690 ))
      3.0 3.0 0.5999999                                                         
      peak 873 ppm1 4.591428 ppm2 2.20756 volume 27000002 weight 1.0            
REMARK dnoe: 2.313768 position 2.304286 1.843469                                
ASSI { 874 }                                                                    
     ( attr rmsd >= 1.783469 and attr rmsd <= 1.903469 )                        
     (( attr rmsd >= 2.264286 and attr rmsd <= 2.344286 )                       
     and bondedto ( attr rmsd >= 33.18921 and attr rmsd <= 34.78921 ))
      2.5 2.5 0.2                                                               
      peak 874 ppm1 1.843469 ppm2 2.304286 volume 49500000 weight 1.0           
REMARK dnoe: 2.23035 position 2.203527 1.843469                                 
ASSI { 875 }                                                                    
     ( attr rmsd >= 1.783469 and attr rmsd <= 1.903469 )                        
     (( attr rmsd >= 2.163527 and attr rmsd <= 2.243527 )                       
     and bondedto ( attr rmsd >= 33.08334 and attr rmsd <= 34.68334 ))
      2.5 2.5 0.2                                                               
      peak 875 ppm1 1.843469 ppm2 2.203527 volume 61700000 weight 1.0           
REMARK dnoe: 2.498781 position 1.863707 0.085525                                
ASSI { 876 }                                                                    
     ( attr rmsd >= 0.025525 and attr rmsd <= 0.145525 )                        
     (( attr rmsd >= 1.823707 and attr rmsd <= 1.903707 )                       
     and bondedto ( attr rmsd >= 32.91600 and attr rmsd <= 34.51600 ))
      2.5 2.5 0.2                                                               
      peak 876 ppm1 0.085525 ppm2 1.863707 volume 31200000 weight 1.0           
REMARK dnoe: 2.756849 position 3.833122 1.865016                                
ASSI { 877 }                                                                    
     ( attr rmsd >= 1.805016 and attr rmsd <= 1.925016 )                        
     (( attr rmsd >= 3.793122 and attr rmsd <= 3.873122 )                       
     and bondedto ( attr rmsd >= 61.10374 and attr rmsd <= 62.70374 ))
      3.0 3.0 0.5999999                                                         
      peak 877 ppm1 1.865016 ppm2 3.833122 volume 17300000 weight 1.0           
REMARK dnoe: 2.711742 position 3.833709 1.721665                                
ASSI { 878 }                                                                    
     ( attr rmsd >= 1.661665 and attr rmsd <= 1.781665 )                        
     (( attr rmsd >= 3.793709 and attr rmsd <= 3.873709 )                       
     and bondedto ( attr rmsd >= 61.03571 and attr rmsd <= 62.63571 ))
      3.0 3.0 0.5999999                                                         
      peak 878 ppm1 1.721665 ppm2 3.833709 volume 19100000 weight 1.0           
REMARK dnoe: 3.049173 position 3.834974 4.012328                                
ASSI { 879 }                                                                    
     ( attr rmsd >= 3.952328 and attr rmsd <= 4.072328 )                        
     (( attr rmsd >= 3.794974 and attr rmsd <= 3.874974 )                       
     and bondedto ( attr rmsd >= 61.10134 and attr rmsd <= 62.70134 ))
      3.6 3.6 1.4                                                               
      peak 879 ppm1 4.012328 ppm2 3.834974 volume 9450000 weight 1.0            
REMARK dnoe: 2.630963 position 4.490555 4.314391                                
ASSI { 880 }                                                                    
     ( attr rmsd >= 4.254391 and attr rmsd <= 4.374391 )                        
     (( attr rmsd >= 4.450555 and attr rmsd <= 4.530555 )                       
     and bondedto ( attr rmsd >= 60.69644 and attr rmsd <= 62.29644 ))
      3.0 3.0 0.5999999                                                         
      peak 880 ppm1 4.314391 ppm2 4.490555 volume 22900000 weight 1.0           
REMARK dnoe: 3.043297 position 4.040949 3.84251                                 
ASSI { 881 }                                                                    
     ( attr rmsd >= 3.78251 and attr rmsd <= 3.90251 )                          
     (( attr rmsd >= 4.000949 and attr rmsd <= 4.080949 )                       
     and bondedto ( attr rmsd >= 61.14552 and attr rmsd <= 62.74552 ))
      3.6 3.6 1.4                                                               
      peak 881 ppm1 3.84251 ppm2 4.040949 volume 9560000 weight 1.0             
REMARK dnoe: 2.632883 position 4.48814 1.135132                                 
ASSI { 882 }                                                                    
     ( attr rmsd >= 1.075132 and attr rmsd <= 1.195132 )                        
     (( attr rmsd >= 4.44814 and attr rmsd <= 4.52814 )                         
     and bondedto ( attr rmsd >= 60.71897 and attr rmsd <= 62.31897 ))
      3.0 3.0 0.5999999                                                         
      peak 882 ppm1 1.135132 ppm2 4.48814 volume 22800000 weight 1.0            
REMARK dnoe: 2.807795 position 1.723718 8.658424                                
ASSI { 883 }                                                                    
     ( attr rmsd >= 8.598424 and attr rmsd <= 8.718425 )                        
     (( attr rmsd >= 1.683718 and attr rmsd <= 1.763718 )                       
     and bondedto ( attr rmsd >= 32.83485 and attr rmsd <= 34.43485 ))
      3.0 3.0 0.5999999                                                         
      peak 883 ppm1 8.658424 ppm2 1.723718 volume 15500000 weight 1.0           
REMARK dnoe: 2.610471 position 1.840821 8.655353                                
ASSI { 884 }                                                                    
     ( attr rmsd >= 8.595352 and attr rmsd <= 8.715353 )                        
     (( attr rmsd >= 1.800821 and attr rmsd <= 1.880821 )                       
     and bondedto ( attr rmsd >= 32.90747 and attr rmsd <= 34.50747 ))
      3.0 3.0 0.5999999                                                         
      peak 884 ppm1 8.655353 ppm2 1.840821 volume 24000000 weight 1.0           
REMARK dnoe: 2.612288 position 1.322369 1.732685                                
ASSI { 885 }                                                                    
     ( attr rmsd >= 1.672685 and attr rmsd <= 1.792685 )                        
     (( attr rmsd >= 1.282369 and attr rmsd <= 1.362369 )                       
     and bondedto ( attr rmsd >= 32.84819 and attr rmsd <= 34.44819 ))
      3.0 3.0 0.5999999                                                         
      peak 885 ppm1 1.732685 ppm2 1.322369 volume 23900000 weight 1.0           
REMARK dnoe: 2.553459 position 1.729134 0.7059357                               
ASSI { 886 }                                                                    
     ( attr rmsd >= 0.6459357 and attr rmsd <= 0.7659357 )                      
     (( attr rmsd >= 1.689134 and attr rmsd <= 1.769134 )                       
     and bondedto ( attr rmsd >= 32.96128 and attr rmsd <= 34.56128 ))
      3.0 3.0 0.5999999                                                         
      peak 886 ppm1 0.7059357 ppm2 1.729134 volume 27399998 weight 1.0          
REMARK dnoe: 1.834897 position 2.072566 2.190968                                
ASSI { 887 }                                                                    
     ( attr rmsd >= 2.130968 and attr rmsd <= 2.250968 )                        
     (( attr rmsd >= 2.032566 and attr rmsd <= 2.112566 )                       
     and bondedto ( attr rmsd >= 32.82544 and attr rmsd <= 34.42544 ))
      2.5 2.5 0.2                                                               
      peak 887 ppm1 2.190968 ppm2 2.072566 volume 199000000 weight 1.0          
REMARK dnoe: 2.704708 position 1.84251 3.940405                                 
ASSI { 888 }                                                                    
     ( attr rmsd >= 3.880405 and attr rmsd <= 4.000405 )                        
     (( attr rmsd >= 1.80251 and attr rmsd <= 1.88251 )                         
     and bondedto ( attr rmsd >= 33.05162 and attr rmsd <= 34.65162 ))
      3.0 3.0 0.5999999                                                         
      peak 888 ppm1 3.940405 ppm2 1.84251 volume 19400000 weight 1.0            
REMARK dnoe: 2.816956 position 1.84251 3.689234                                 
ASSI { 889 }                                                                    
     ( attr rmsd >= 3.629234 and attr rmsd <= 3.749234 )                        
     (( attr rmsd >= 1.80251 and attr rmsd <= 1.88251 )                         
     and bondedto ( attr rmsd >= 32.89347 and attr rmsd <= 34.49347 ))
      3.0 3.0 0.5999999                                                         
      peak 889 ppm1 3.689234 ppm2 1.84251 volume 15200000 weight 1.0            
REMARK dnoe: 2.584227 position 2.199259 0.6552587                               
ASSI { 890 }                                                                    
     ( attr rmsd >= 0.5952587 and attr rmsd <= 0.7152587 )                      
     (( attr rmsd >= 2.159259 and attr rmsd <= 2.239259 )                       
     and bondedto ( attr rmsd >= 32.98381 and attr rmsd <= 34.58381 ))
      3.0 3.0 0.5999999                                                         
      peak 890 ppm1 0.6552587 ppm2 2.199259 volume 25500000 weight 1.0          
REMARK dnoe: 3.245402 position 1.919421 9.192541                                
ASSI { 891 }                                                                    
     ( attr rmsd >= 9.132541 and attr rmsd <= 9.252542 )                        
     (( attr rmsd >= 1.879421 and attr rmsd <= 1.959421 )                       
     and bondedto ( attr rmsd >= 32.78016 and attr rmsd <= 34.38016 ))
      3.6 3.6 1.4                                                               
      peak 891 ppm1 9.192541 ppm2 1.919421 volume 6500000 weight 1.0            
REMARK dnoe: 2.852446 position 1.904977 6.357707                                
ASSI { 892 }                                                                    
     ( attr rmsd >= 6.297707 and attr rmsd <= 6.417707 )                        
     (( attr rmsd >= 1.864977 and attr rmsd <= 1.944977 )                       
     and bondedto ( attr rmsd >= 32.78016 and attr rmsd <= 34.38016 ))
      3.0 3.0 0.5999999                                                         
      peak 892 ppm1 6.357707 ppm2 1.904977 volume 14100000 weight 1.0           
REMARK dnoe: 3.109621 position 1.739007 6.099081                                
ASSI { 893 }                                                                    
     ( attr rmsd >= 6.039081 and attr rmsd <= 6.159081 )                        
     (( attr rmsd >= 1.699007 and attr rmsd <= 1.779007 )                       
     and bondedto ( attr rmsd >= 32.91600 and attr rmsd <= 34.51600 ))
      3.6 3.6 1.4                                                               
      peak 893 ppm1 6.099081 ppm2 1.739007 volume 8400000 weight 1.0            
REMARK dnoe: 3.133055 position 2.192857 5.024254                                
ASSI { 894 }                                                                    
     ( attr rmsd >= 4.964254 and attr rmsd <= 5.084254 )                        
     (( attr rmsd >= 2.152857 and attr rmsd <= 2.232857 )                       
     and bondedto ( attr rmsd >= 32.91775 and attr rmsd <= 34.51775 ))
      3.6 3.6 1.4                                                               
      peak 894 ppm1 5.024254 ppm2 2.192857 volume 0.803e+07 weight 1.0          
REMARK dnoe: 3.045958 position 2.072941 5.022579                                
ASSI { 895 }                                                                    
     ( attr rmsd >= 4.962579 and attr rmsd <= 5.082579 )                        
     (( attr rmsd >= 2.032941 and attr rmsd <= 2.112941 )                       
     and bondedto ( attr rmsd >= 32.88756 and attr rmsd <= 34.48756 ))
      3.6 3.6 1.4                                                               
      peak 895 ppm1 5.022579 ppm2 2.072941 volume 9510000 weight 1.0            
REMARK dnoe: 3.366218 position 1.318922 6.089006                                
ASSI { 896 }                                                                    
     ( attr rmsd >= 6.029006 and attr rmsd <= 6.149006 )                        
     (( attr rmsd >= 1.278922 and attr rmsd <= 1.358922 )                       
     and bondedto ( attr rmsd >= 32.93066 and attr rmsd <= 34.53066 ))
      3.6 3.6 1.4                                                               
      peak 896 ppm1 6.089006 ppm2 1.318922 volume 5220000 weight 1.0            
REMARK dnoe: 2.619646 position 1.889431 4.972117                                
ASSI { 897 }                                                                    
     ( attr rmsd >= 4.912117 and attr rmsd <= 5.032117 )                        
     (( attr rmsd >= 1.849431 and attr rmsd <= 1.929431 )                       
     and bondedto ( attr rmsd >= 32.80291 and attr rmsd <= 34.40291 ))
      3.0 3.0 0.5999999                                                         
      peak 897 ppm1 4.972117 ppm2 1.889431 volume 23500000 weight 1.0           
REMARK dnoe: 2.466886 position 1.725922 4.2296                                  
ASSI { 898 }                                                                    
     ( attr rmsd >= 4.1696 and attr rmsd <= 4.2896 )                            
     (( attr rmsd >= 1.685922 and attr rmsd <= 1.765922 )                       
     and bondedto ( attr rmsd >= 32.71235 and attr rmsd <= 34.31235 ))
      2.5 2.5 0.2                                                               
      peak 898 ppm1 4.2296 ppm2 1.725922 volume 33700000 weight 1.0             
REMARK dnoe: 3.197244 position 2.062037 4.266851                                
ASSI { 899 }                                                                    
     ( attr rmsd >= 4.206851 and attr rmsd <= 4.326851 )                        
     (( attr rmsd >= 2.022037 and attr rmsd <= 2.102037 )                       
     and bondedto ( attr rmsd >= 32.89566 and attr rmsd <= 34.49566 ))
      3.6 3.6 1.4                                                               
      peak 899 ppm1 4.266851 ppm2 2.062037 volume 7110001 weight 1.0            
REMARK dnoe: 2.751573 position 1.858548 3.821973                                
ASSI { 900 }                                                                    
     ( attr rmsd >= 3.761973 and attr rmsd <= 3.881973 )                        
     (( attr rmsd >= 1.818548 and attr rmsd <= 1.898548 )                       
     and bondedto ( attr rmsd >= 32.82544 and attr rmsd <= 34.42544 ))
      3.0 3.0 0.5999999                                                         
      peak 900 ppm1 3.821973 ppm2 1.858548 volume 17500000 weight 1.0           
REMARK dnoe: 2.991367 position 1.720458 3.685517                                
ASSI { 901 }                                                                    
     ( attr rmsd >= 3.625517 and attr rmsd <= 3.745517 )                        
     (( attr rmsd >= 1.680458 and attr rmsd <= 1.760458 )                       
     and bondedto ( attr rmsd >= 32.78016 and attr rmsd <= 34.38016 ))
      3.0 3.0 0.5999999                                                         
      peak 901 ppm1 3.685517 ppm2 1.720458 volume 10600000 weight 1.0           
REMARK dnoe: 3.147595 position 1.725922 3.940964                                
ASSI { 902 }                                                                    
     ( attr rmsd >= 3.880964 and attr rmsd <= 4.000964 )                        
     (( attr rmsd >= 1.685922 and attr rmsd <= 1.765922 )                       
     and bondedto ( attr rmsd >= 32.80291 and attr rmsd <= 34.40291 ))
      3.6 3.6 1.4                                                               
      peak 902 ppm1 3.940964 ppm2 1.725922 volume 7810000 weight 1.0            
REMARK dnoe: 3.491819 position 2.332776 3.586226                                
ASSI { 903 }                                                                    
     ( attr rmsd >= 3.526226 and attr rmsd <= 3.646226 )                        
     (( attr rmsd >= 2.292776 and attr rmsd <= 2.372776 )                       
     and bondedto ( attr rmsd >= 32.80291 and attr rmsd <= 34.40291 ))
      3.6 3.6 1.4                                                               
      peak 903 ppm1 3.586226 ppm2 2.332776 volume 4190000 weight 1.0            
REMARK dnoe: 3.03385 position 2.193631 4.258452                                 
ASSI { 904 }                                                                    
     ( attr rmsd >= 4.198452 and attr rmsd <= 4.318452 )                        
     (( attr rmsd >= 2.153631 and attr rmsd <= 2.233631 )                       
     and bondedto ( attr rmsd >= 33.09690 and attr rmsd <= 34.69690 ))
      3.6 3.6 1.4                                                               
      peak 904 ppm1 4.258452 ppm2 2.193631 volume 9740000 weight 1.0            
REMARK dnoe: 3.412426 position 2.328133 3.700791                                
ASSI { 905 }                                                                    
     ( attr rmsd >= 3.640791 and attr rmsd <= 3.760791 )                        
     (( attr rmsd >= 2.288133 and attr rmsd <= 2.368133 )                       
     and bondedto ( attr rmsd >= 32.82544 and attr rmsd <= 34.42544 ))
      3.6 3.6 1.4                                                               
      peak 905 ppm1 3.700791 ppm2 2.328133 volume 4810000 weight 1.0            
REMARK dnoe: 2.697799 position 2.331744 4.535423                                
ASSI { 906 }                                                                    
     ( attr rmsd >= 4.475423 and attr rmsd <= 4.595423 )                        
     (( attr rmsd >= 2.291744 and attr rmsd <= 2.371744 )                       
     and bondedto ( attr rmsd >= 32.85979 and attr rmsd <= 34.45979 ))
      3.0 3.0 0.5999999                                                         
      peak 906 ppm1 4.535423 ppm2 2.331744 volume 19700000 weight 1.0           
REMARK dnoe: 2.32245 position 1.847059 4.718604                                 
ASSI { 907 }                                                                    
     ( attr rmsd >= 4.658604 and attr rmsd <= 4.778604 )                        
     (( attr rmsd >= 1.807059 and attr rmsd <= 1.887059 )                       
     and bondedto ( attr rmsd >= 32.88275 and attr rmsd <= 34.48275 ))
      2.5 2.5 0.2                                                               
      peak 907 ppm1 4.718604 ppm2 1.847059 volume 48400000 weight 1.0           
REMARK dnoe: 2.324858 position 1.727376 4.721955                                
ASSI { 908 }                                                                    
     ( attr rmsd >= 4.661955 and attr rmsd <= 4.781955 )                        
     (( attr rmsd >= 1.687376 and attr rmsd <= 1.767376 )                       
     and bondedto ( attr rmsd >= 32.72176 and attr rmsd <= 34.32176 ))
      2.5 2.5 0.2                                                               
      peak 908 ppm1 4.721955 ppm2 1.727376 volume 48100000 weight 1.0           
REMARK dnoe: 2.422271 position 2.329892 1.810881                                
ASSI { 909 }                                                                    
     ( attr rmsd >= 1.750881 and attr rmsd <= 1.870881 )                        
     (( attr rmsd >= 2.289892 and attr rmsd <= 2.369892 )                       
     and bondedto ( attr rmsd >= 32.81385 and attr rmsd <= 34.41385 ))
      2.5 2.5 0.2                                                               
      peak 909 ppm1 1.810881 ppm2 2.329892 volume 37600000 weight 1.0           
REMARK dnoe: 2.52942 position 2.33165 2.016854                                  
ASSI { 910 }                                                                    
     ( attr rmsd >= 1.956854 and attr rmsd <= 2.076854 )                        
     (( attr rmsd >= 2.29165 and attr rmsd <= 2.37165 )                         
     and bondedto ( attr rmsd >= 32.85979 and attr rmsd <= 34.45979 ))
      3.0 3.0 0.5999999                                                         
      peak 910 ppm1 2.016854 ppm2 2.33165 volume 29000000 weight 1.0            
REMARK dnoe: 2.304549 position 2.065882 1.766112                                
ASSI { 911 }                                                                    
     ( attr rmsd >= 1.706112 and attr rmsd <= 1.826112 )                        
     (( attr rmsd >= 2.025882 and attr rmsd <= 2.105882 )                       
     and bondedto ( attr rmsd >= 32.95188 and attr rmsd <= 34.55188 ))
      2.5 2.5 0.2                                                               
      peak 911 ppm1 1.766112 ppm2 2.065882 volume 50700004 weight 1.0           
REMARK dnoe: 1.952693 position 1.727681 1.40568                                 
ASSI { 912 }                                                                    
     ( attr rmsd >= 1.34568 and attr rmsd <= 1.46568 )                          
     (( attr rmsd >= 1.687681 and attr rmsd <= 1.767681 )                       
     and bondedto ( attr rmsd >= 32.74473 and attr rmsd <= 34.34473 ))
      2.5 2.5 0.2                                                               
      peak 912 ppm1 1.40568 ppm2 1.727681 volume 137000000 weight 1.0           
REMARK dnoe: 3.67362 position 1.322556 2.47359                                  
ASSI { 913 }                                                                    
     ( attr rmsd >= 2.41359 and attr rmsd <= 2.53359 )                          
     (( attr rmsd >= 1.282556 and attr rmsd <= 1.362556 )                       
     and bondedto ( attr rmsd >= 32.89850 and attr rmsd <= 34.49850 ))
      4.2 4.2 1.8                                                               
      peak 913 ppm1 2.47359 ppm2 1.322556 volume 0.309e+07 weight 1.0           
REMARK dnoe: 3.520399 position 1.318945 2.634063                                
ASSI { 914 }                                                                    
     ( attr rmsd >= 2.574063 and attr rmsd <= 2.694063 )                        
     (( attr rmsd >= 1.278945 and attr rmsd <= 1.358945 )                       
     and bondedto ( attr rmsd >= 32.86110 and attr rmsd <= 34.46110 ))
      3.6 3.6 1.4                                                               
      peak 914 ppm1 2.634063 ppm2 1.318945 volume 3990000 weight 1.0            
REMARK dnoe: 4.108133 position 1.309917 2.963388                                
ASSI { 915 }                                                                    
     ( attr rmsd >= 2.903388 and attr rmsd <= 3.023388 )                        
     (( attr rmsd >= 1.269917 and attr rmsd <= 1.349917 )                       
     and bondedto ( attr rmsd >= 32.89325 and attr rmsd <= 34.49325 ))
      4.2 4.2 1.8                                                               
      peak 915 ppm1 2.963388 ppm2 1.309917 volume 0.158e+07 weight 1.0          
REMARK dnoe: 4.289046 position 1.304477 2.792882                                
ASSI { 916 }                                                                    
     ( attr rmsd >= 2.732882 and attr rmsd <= 2.852882 )                        
     (( attr rmsd >= 1.264477 and attr rmsd <= 1.344477 )                       
     and bondedto ( attr rmsd >= 32.84600 and attr rmsd <= 34.44600 ))
      4.2 4.2 1.8                                                               
      peak 916 ppm1 2.792882 ppm2 1.304477 volume 1220000 weight 1.0            
REMARK dnoe: 3.135011 position 1.729486 2.476941                                
ASSI { 917 }                                                                    
     ( attr rmsd >= 2.416941 and attr rmsd <= 2.536941 )                        
     (( attr rmsd >= 1.689486 and attr rmsd <= 1.769486 )                       
     and bondedto ( attr rmsd >= 32.87204 and attr rmsd <= 34.47204 ))
      3.6 3.6 1.4                                                               
      peak 917 ppm1 2.476941 ppm2 1.729486 volume 8000000 weight 1.0            
REMARK dnoe: 3.333003 position 1.733097 2.635739                                
ASSI { 918 }                                                                    
     ( attr rmsd >= 2.575739 and attr rmsd <= 2.695739 )                        
     (( attr rmsd >= 1.693097 and attr rmsd <= 1.773097 )                       
     and bondedto ( attr rmsd >= 32.82698 and attr rmsd <= 34.42698 ))
      3.6 3.6 1.4                                                               
      peak 918 ppm1 2.635739 ppm2 1.733097 volume 5540000 weight 1.0            
REMARK dnoe: 3.405382 position 1.742149 2.807125                                
ASSI { 919 }                                                                    
     ( attr rmsd >= 2.747125 and attr rmsd <= 2.867125 )                        
     (( attr rmsd >= 1.702149 and attr rmsd <= 1.782149 )                       
     and bondedto ( attr rmsd >= 32.81385 and attr rmsd <= 34.41385 ))
      3.6 3.6 1.4                                                               
      peak 919 ppm1 2.807125 ppm2 1.742149 volume 4870000 weight 1.0            
REMARK dnoe: 2.982062 position 1.734926 2.961605                                
ASSI { 920 }                                                                    
     ( attr rmsd >= 2.901605 and attr rmsd <= 3.021605 )                        
     (( attr rmsd >= 1.694926 and attr rmsd <= 1.774926 )                       
     and bondedto ( attr rmsd >= 32.76791 and attr rmsd <= 34.36791 ))
      3.0 3.0 0.5999999                                                         
      peak 920 ppm1 2.961605 ppm2 1.734926 volume 10800000 weight 1.0           
REMARK dnoe: 2.533808 position 2.072237 0.6643033                               
ASSI { 921 }                                                                    
     ( attr rmsd >= 0.6043033 and attr rmsd <= 0.7243033 )                      
     (( attr rmsd >= 2.032237 and attr rmsd <= 2.112237 )                       
     and bondedto ( attr rmsd >= 32.91141 and attr rmsd <= 34.51141 ))
      3.0 3.0 0.5999999                                                         
      peak 921 ppm1 0.6643033 ppm2 2.072237 volume 28700000 weight 1.0          
REMARK dnoe: 1.974933 position 1.870226 0.7181592                               
ASSI { 922 }                                                                    
     ( attr rmsd >= 0.6581592 and attr rmsd <= 0.7781592 )                      
     (( attr rmsd >= 1.830226 and attr rmsd <= 1.910226 )                       
     and bondedto ( attr rmsd >= 32.97485 and attr rmsd <= 34.57485 ))
      2.5 2.5 0.2                                                               
      peak 922 ppm1 0.7181592 ppm2 1.870226 volume 128000008 weight 1.0         
REMARK dnoe: 3.51893 position 4.564958 4.228376                                 
ASSI { 923 }                                                                    
     ( attr rmsd >= 4.168376 and attr rmsd <= 4.288376 )                        
     (( attr rmsd >= 4.524958 and attr rmsd <= 4.604958 )                       
     and bondedto ( attr rmsd >= 60.67151 and attr rmsd <= 62.27151 ))
      3.6 3.6 1.4                                                               
      peak 923 ppm1 4.228376 ppm2 4.564958 volume 4000000 weight 1.0            
REMARK dnoe: 2.574229 position 4.25595 8.467812                                 
ASSI { 924 }                                                                    
     ( attr rmsd >= 8.407811 and attr rmsd <= 8.527812 )                        
     (( attr rmsd >= 4.21595 and attr rmsd <= 4.29595 )                         
     and bondedto ( attr rmsd >= 60.19115 and attr rmsd <= 61.79115 ))
      3.0 3.0 0.5999999                                                         
      peak 924 ppm1 8.467812 ppm2 4.25595 volume 26100000 weight 1.0            
REMARK dnoe: 2.842455 position 4.260921 8.335008                                
ASSI { 925 }                                                                    
     ( attr rmsd >= 8.275007 and attr rmsd <= 8.395008 )                        
     (( attr rmsd >= 4.220921 and attr rmsd <= 4.300921 )                       
     and bondedto ( attr rmsd >= 60.22483 and attr rmsd <= 61.82483 ))
      3.0 3.0 0.5999999                                                         
      peak 925 ppm1 8.335008 ppm2 4.260921 volume 14399999 weight 1.0           
REMARK dnoe: 2.530877 position 4.13608 8.044523                                 
ASSI { 926 }                                                                    
     ( attr rmsd >= 7.984523 and attr rmsd <= 8.104524 )                        
     (( attr rmsd >= 4.09608 and attr rmsd <= 4.17608 )                         
     and bondedto ( attr rmsd >= 60.18021 and attr rmsd <= 61.78021 ))
      3.0 3.0 0.5999999                                                         
      peak 926 ppm1 8.044523 ppm2 4.13608 volume 28900000 weight 1.0            
REMARK dnoe: 2.399423 position 4.323881 2.273782                                
ASSI { 927 }                                                                    
     ( attr rmsd >= 2.213782 and attr rmsd <= 2.333782 )                        
     (( attr rmsd >= 4.283881 and attr rmsd <= 4.363881 )                       
     and bondedto ( attr rmsd >= 60.01746 and attr rmsd <= 61.61746 ))
      2.5 2.5 0.2                                                               
      peak 927 ppm1 2.273782 ppm2 4.323881 volume 39800000 weight 1.0           
REMARK dnoe: 2.759514 position 4.561535 1.157967                                
ASSI { 928 }                                                                    
     ( attr rmsd >= 1.097967 and attr rmsd <= 1.217967 )                        
     (( attr rmsd >= 4.521535 and attr rmsd <= 4.601535 )                       
     and bondedto ( attr rmsd >= 60.69622 and attr rmsd <= 62.29622 ))
      3.0 3.0 0.5999999                                                         
      peak 928 ppm1 1.157967 ppm2 4.561535 volume 17200000 weight 1.0           
REMARK dnoe: 2.490861 position 4.139316 0.8941214                               
ASSI { 929 }                                                                    
     ( attr rmsd >= 0.8341214 and attr rmsd <= 0.9541214 )                      
     (( attr rmsd >= 4.099316 and attr rmsd <= 4.179316 )                       
     and bondedto ( attr rmsd >= 60.09490 and attr rmsd <= 61.69490 ))
      2.5 2.5 0.2                                                               
      peak 929 ppm1 0.8941214 ppm2 4.139316 volume 31799998 weight 1.0          
REMARK dnoe: 2.203781 position 4.327681 0.7899749                               
ASSI { 930 }                                                                    
     ( attr rmsd >= 0.7299749 and attr rmsd <= 0.8499749 )                      
     (( attr rmsd >= 4.287681 and attr rmsd <= 4.367681 )                       
     and bondedto ( attr rmsd >= 60.08002 and attr rmsd <= 61.68002 ))
      2.5 2.5 0.2                                                               
      peak 930 ppm1 0.7899749 ppm2 4.327681 volume 66300000 weight 1.0          
REMARK dnoe: 2.375184 position 4.258554 0.7639167                               
ASSI { 931 }                                                                    
     ( attr rmsd >= 0.7039167 and attr rmsd <= 0.8239167 )                      
     (( attr rmsd >= 4.218554 and attr rmsd <= 4.298554 )                       
     and bondedto ( attr rmsd >= 60.24692 and attr rmsd <= 61.84692 ))
      2.5 2.5 0.2                                                               
      peak 931 ppm1 0.7639167 ppm2 4.258554 volume 42300000 weight 1.0          
REMARK dnoe: 2.741228 position 4.258554 0.633841                                
ASSI { 932 }                                                                    
     ( attr rmsd >= 0.573841 and attr rmsd <= 0.693841 )                        
     (( attr rmsd >= 4.218554 and attr rmsd <= 4.298554 )                       
     and bondedto ( attr rmsd >= 60.25786 and attr rmsd <= 61.85786 ))
      3.0 3.0 0.5999999                                                         
      peak 932 ppm1 0.633841 ppm2 4.258554 volume 17900000 weight 1.0           
REMARK dnoe: 3.027665 position 1.760556 8.386909                                
ASSI { 933 }                                                                    
     ( attr rmsd >= 8.326908 and attr rmsd <= 8.446909 )                        
     (( attr rmsd >= 1.720556 and attr rmsd <= 1.800556 )                       
     and bondedto ( attr rmsd >= 32.53780 and attr rmsd <= 34.13780 ))
      3.6 3.6 1.4                                                               
      peak 933 ppm1 8.386909 ppm2 1.760556 volume 9860000 weight 1.0            
REMARK dnoe: 2.842455 position 1.745901 7.223983                                
ASSI { 934 }                                                                    
     ( attr rmsd >= 7.163983 and attr rmsd <= 7.283983 )                        
     (( attr rmsd >= 1.705901 and attr rmsd <= 1.785901 )                       
     and bondedto ( attr rmsd >= 32.62989 and attr rmsd <= 34.22989 ))
      3.0 3.0 0.5999999                                                         
      peak 934 ppm1 7.223983 ppm2 1.745901 volume 14399999 weight 1.0           
REMARK dnoe: 3.462164 position 1.306353 7.235799                                
ASSI { 935 }                                                                    
     ( attr rmsd >= 7.175799 and attr rmsd <= 7.295799 )                        
     (( attr rmsd >= 1.266353 and attr rmsd <= 1.346353 )                       
     and bondedto ( attr rmsd >= 32.72176 and attr rmsd <= 34.32176 ))
      3.6 3.6 1.4                                                               
      peak 935 ppm1 7.235799 ppm2 1.306353 volume 4410000 weight 1.0            
REMARK dnoe: 3.428044 position 2.060935 7.213843                                
ASSI { 936 }                                                                    
     ( attr rmsd >= 7.153843 and attr rmsd <= 7.273843 )                        
     (( attr rmsd >= 2.020935 and attr rmsd <= 2.100935 )                       
     and bondedto ( attr rmsd >= 32.72176 and attr rmsd <= 34.32176 ))
      3.6 3.6 1.4                                                               
      peak 936 ppm1 7.213843 ppm2 2.060935 volume 4680000 weight 1.0            
REMARK dnoe: 3.391595 position 2.196281 7.195261                                
ASSI { 937 }                                                                    
     ( attr rmsd >= 7.135261 and attr rmsd <= 7.255261 )                        
     (( attr rmsd >= 2.156281 and attr rmsd <= 2.236281 )                       
     and bondedto ( attr rmsd >= 32.91163 and attr rmsd <= 34.51163 ))
      3.6 3.6 1.4                                                               
      peak 937 ppm1 7.195261 ppm2 2.196281 volume 4990000 weight 1.0            
REMARK dnoe: 2.982062 position 2.334441 4.33712                                 
ASSI { 938 }                                                                    
     ( attr rmsd >= 4.27712 and attr rmsd <= 4.39712 )                          
     (( attr rmsd >= 2.294441 and attr rmsd <= 2.374441 )                       
     and bondedto ( attr rmsd >= 32.74473 and attr rmsd <= 34.34473 ))
      3.0 3.0 0.5999999                                                         
      peak 938 ppm1 4.33712 ppm2 2.334441 volume 10800000 weight 1.0            
REMARK dnoe: 2.887634 position 1.936398 3.843799                                
ASSI { 939 }                                                                    
     ( attr rmsd >= 3.783799 and attr rmsd <= 3.903799 )                        
     (( attr rmsd >= 1.896398 and attr rmsd <= 1.976398 )                       
     and bondedto ( attr rmsd >= 32.58395 and attr rmsd <= 34.18395 ))
      3.0 3.0 0.5999999                                                         
      peak 939 ppm1 3.843799 ppm2 1.936398 volume 13100000 weight 1.0           
REMARK dnoe: 1.972373 position 2.194921 2.058422                                
ASSI { 940 }                                                                    
     ( attr rmsd >= 1.998422 and attr rmsd <= 2.118422 )                        
     (( attr rmsd >= 2.154921 and attr rmsd <= 2.234921 )                       
     and bondedto ( attr rmsd >= 32.75129 and attr rmsd <= 34.35129 ))
      2.5 2.5 0.2                                                               
      peak 940 ppm1 2.058422 ppm2 2.194921 volume 128999992 weight 1.0          
REMARK dnoe: 3.068975 position 2.203527 0.8618119                               
ASSI { 941 }                                                                    
     ( attr rmsd >= 0.8018119 and attr rmsd <= 0.9218119 )                      
     (( attr rmsd >= 2.163527 and attr rmsd <= 2.243527 )                       
     and bondedto ( attr rmsd >= 32.90572 and attr rmsd <= 34.50572 ))
      3.6 3.6 1.4                                                               
      peak 941 ppm1 0.8618119 ppm2 2.203527 volume 9090000 weight 1.0           
REMARK dnoe: 2.283994 position 1.31252 1.416186                                 
ASSI { 942 }                                                                    
     ( attr rmsd >= 1.356186 and attr rmsd <= 1.476186 )                        
     (( attr rmsd >= 1.27252 and attr rmsd <= 1.35252 )                         
     and bondedto ( attr rmsd >= 32.74691 and attr rmsd <= 34.34691 ))
      2.5 2.5 0.2                                                               
      peak 942 ppm1 1.416186 ppm2 1.31252 volume 53500004 weight 1.0            
REMARK dnoe: 2.211634 position 1.507567 1.202565                                
ASSI { 943 }                                                                    
     ( attr rmsd >= 1.142565 and attr rmsd <= 1.262565 )                        
     (( attr rmsd >= 1.467567 and attr rmsd <= 1.547567 )                       
     and bondedto ( attr rmsd >= 32.21580 and attr rmsd <= 33.81580 ))
      2.5 2.5 0.2                                                               
      peak 943 ppm1 1.202565 ppm2 1.507567 volume 64900000 weight 1.0           
REMARK dnoe: 2.733645 position 2.014905 2.335007                                
ASSI { 944 }                                                                    
     ( attr rmsd >= 2.275007 and attr rmsd <= 2.395007 )                        
     (( attr rmsd >= 1.974905 and attr rmsd <= 2.054905 )                       
     and bondedto ( attr rmsd >= 32.72001 and attr rmsd <= 34.32001 ))
      3.0 3.0 0.5999999                                                         
      peak 944 ppm1 2.335007 ppm2 2.014905 volume 18200000 weight 1.0           
REMARK dnoe: 2.648603 position 1.806773 2.335544                                
ASSI { 945 }                                                                    
     ( attr rmsd >= 2.275544 and attr rmsd <= 2.395544 )                        
     (( attr rmsd >= 1.766773 and attr rmsd <= 1.846773 )                       
     and bondedto ( attr rmsd >= 32.69617 and attr rmsd <= 34.29617 ))
      3.0 3.0 0.5999999                                                         
      peak 945 ppm1 2.335544 ppm2 1.806773 volume 22000000 weight 1.0           
REMARK dnoe: 2.968476 position 1.514625 8.942657                                
ASSI { 946 }                                                                    
     ( attr rmsd >= 8.882657 and attr rmsd <= 9.002658 )                        
     (( attr rmsd >= 1.474625 and attr rmsd <= 1.554625 )                       
     and bondedto ( attr rmsd >= 32.30789 and attr rmsd <= 33.90789 ))
      3.0 3.0 0.5999999                                                         
      peak 946 ppm1 8.942657 ppm2 1.514625 volume 11100000 weight 1.0           
REMARK dnoe: 2.991367 position 1.206579 8.94558                                 
ASSI { 947 }                                                                    
     ( attr rmsd >= 8.885579 and attr rmsd <= 9.00558 )                         
     (( attr rmsd >= 1.166579 and attr rmsd <= 1.246579 )                       
     and bondedto ( attr rmsd >= 32.23899 and attr rmsd <= 33.83899 ))
      3.0 3.0 0.5999999                                                         
      peak 947 ppm1 8.94558 ppm2 1.206579 volume 10600000 weight 1.0            
REMARK dnoe: 3.214815 position 4.260054 5.023674                                
ASSI { 948 }                                                                    
     ( attr rmsd >= 4.963674 and attr rmsd <= 5.083674 )                        
     (( attr rmsd >= 4.220054 and attr rmsd <= 4.300054 )                       
     and bondedto ( attr rmsd >= 60.25064 and attr rmsd <= 61.85064 ))
      3.6 3.6 1.4                                                               
      peak 948 ppm1 5.023674 ppm2 4.260054 volume 6880000 weight 1.0            
REMARK dnoe: 3.284441 position 4.321701 8.022289                                
ASSI { 949 }                                                                    
     ( attr rmsd >= 7.962289 and attr rmsd <= 8.08229 )                         
     (( attr rmsd >= 4.281701 and attr rmsd <= 4.361701 )                       
     and bondedto ( attr rmsd >= 60.01615 and attr rmsd <= 61.61615 ))
      3.6 3.6 1.4                                                               
      peak 949 ppm1 8.022289 ppm2 4.321701 volume 6050000 weight 1.0            
REMARK dnoe: 3.437909 position 4.321701 7.883341                                
ASSI { 950 }                                                                    
     ( attr rmsd >= 7.823341 and attr rmsd <= 7.943341 )                        
     (( attr rmsd >= 4.281701 and attr rmsd <= 4.361701 )                       
     and bondedto ( attr rmsd >= 60.06034 and attr rmsd <= 61.66034 ))
      3.6 3.6 1.4                                                               
      peak 950 ppm1 7.883341 ppm2 4.321701 volume 4600000 weight 1.0            
REMARK dnoe: 2.835928 position 4.137347 3.648761                                
ASSI { 952 }                                                                    
     ( attr rmsd >= 3.588761 and attr rmsd <= 3.708761 )                        
     (( attr rmsd >= 4.097347 and attr rmsd <= 4.177347 )                       
     and bondedto ( attr rmsd >= 60.04262 and attr rmsd <= 61.64262 ))
      3.0 3.0 0.5999999                                                         
      peak 952 ppm1 3.648761 ppm2 4.137347 volume 14600000 weight 1.0           
REMARK dnoe: 2.996096 position 4.260007 1.263425                                
ASSI { 953 }                                                                    
     ( attr rmsd >= 1.203425 and attr rmsd <= 1.323425 )                        
     (( attr rmsd >= 4.220007 and attr rmsd <= 4.300007 )                       
     and bondedto ( attr rmsd >= 60.06777 and attr rmsd <= 61.66777 ))
      3.0 3.0 0.5999999                                                         
      peak 953 ppm1 1.263425 ppm2 4.260007 volume 10500000 weight 1.0           
REMARK dnoe: 3.055129 position 4.140184 1.22235                                 
ASSI { 954 }                                                                    
     ( attr rmsd >= 1.16235 and attr rmsd <= 1.28235 )                          
     (( attr rmsd >= 4.100184 and attr rmsd <= 4.180184 )                       
     and bondedto ( attr rmsd >= 60.03693 and attr rmsd <= 61.63693 ))
      3.6 3.6 1.4                                                               
      peak 954 ppm1 1.22235 ppm2 4.140184 volume 9340000 weight 1.0             
REMARK dnoe: 2.42013 position 4.260101 0.8759046                                
ASSI { 955 }                                                                    
     ( attr rmsd >= 0.8159046 and attr rmsd <= 0.9359046 )                      
     (( attr rmsd >= 4.220101 and attr rmsd <= 4.300101 )                       
     and bondedto ( attr rmsd >= 60.21455 and attr rmsd <= 61.81455 ))
      2.5 2.5 0.2                                                               
      peak 955 ppm1 0.8759046 ppm2 4.260101 volume 37800000 weight 1.0          
REMARK dnoe: 3.040653 position 1.936562 7.192877                                
ASSI { 956 }                                                                    
     ( attr rmsd >= 7.132877 and attr rmsd <= 7.252877 )                        
     (( attr rmsd >= 1.896562 and attr rmsd <= 1.976562 )                       
     and bondedto ( attr rmsd >= 32.51483 and attr rmsd <= 34.11483 ))
      3.6 3.6 1.4                                                               
      peak 956 ppm1 7.192877 ppm2 1.936562 volume 9610000 weight 1.0            
REMARK dnoe: 3.410066 position 1.772585 7.044519                                
ASSI { 957 }                                                                    
     ( attr rmsd >= 6.984519 and attr rmsd <= 7.104519 )                        
     (( attr rmsd >= 1.732585 and attr rmsd <= 1.812585 )                       
     and bondedto ( attr rmsd >= 32.30549 and attr rmsd <= 33.90549 ))
      3.6 3.6 1.4                                                               
      peak 957 ppm1 7.044519 ppm2 1.772585 volume 4830000 weight 1.0            
REMARK dnoe: 3.252107 position 1.932037 7.042565                                
ASSI { 958 }                                                                    
     ( attr rmsd >= 6.982565 and attr rmsd <= 7.102565 )                        
     (( attr rmsd >= 1.892037 and attr rmsd <= 1.972037 )                       
     and bondedto ( attr rmsd >= 32.32999 and attr rmsd <= 33.92999 ))
      3.6 3.6 1.4                                                               
      peak 958 ppm1 7.042565 ppm2 1.932037 volume 6420000 weight 1.0            
REMARK dnoe: 2.558149 position 2.03439 5.147821                                 
ASSI { 959 }                                                                    
     ( attr rmsd >= 5.087821 and attr rmsd <= 5.207821 )                        
     (( attr rmsd >= 1.99439 and attr rmsd <= 2.07439 )                         
     and bondedto ( attr rmsd >= 31.78488 and attr rmsd <= 33.38488 ))
      3.0 3.0 0.5999999                                                         
      peak 959 ppm1 5.147821 ppm2 2.03439 volume 27100000 weight 1.0            
REMARK dnoe: 2.880351 position 1.780042 3.842166                                
ASSI { 961 }                                                                    
     ( attr rmsd >= 3.782166 and attr rmsd <= 3.902166 )                        
     (( attr rmsd >= 1.740042 and attr rmsd <= 1.820042 )                       
     and bondedto ( attr rmsd >= 32.53780 and attr rmsd <= 34.13780 ))
      3.0 3.0 0.5999999                                                         
      peak 961 ppm1 3.842166 ppm2 1.780042 volume 13300000 weight 1.0           
REMARK dnoe: 3.076352 position 1.518354 3.819738                                
ASSI { 962 }                                                                    
     ( attr rmsd >= 3.759738 and attr rmsd <= 3.879738 )                        
     (( attr rmsd >= 1.478354 and attr rmsd <= 1.558354 )                       
     and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
      3.6 3.6 1.4                                                               
      peak 962 ppm1 3.819738 ppm2 1.518354 volume 8960000 weight 1.0            
REMARK dnoe: 3.047027 position 1.217529 3.821457                                
ASSI { 963 }                                                                    
     ( attr rmsd >= 3.761457 and attr rmsd <= 3.881457 )                        
     (( attr rmsd >= 1.177529 and attr rmsd <= 1.257529 )                       
     and bondedto ( attr rmsd >= 32.16987 and attr rmsd <= 33.76987 ))
      3.6 3.6 1.4                                                               
      peak 963 ppm1 3.821457 ppm2 1.217529 volume 9490000 weight 1.0            
REMARK dnoe: 3.238792 position 1.501236 4.357936                                
ASSI { 964 }                                                                    
     ( attr rmsd >= 4.297936 and attr rmsd <= 4.417936 )                        
     (( attr rmsd >= 1.461236 and attr rmsd <= 1.541236 )                       
     and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
      3.6 3.6 1.4                                                               
      peak 964 ppm1 4.357936 ppm2 1.501236 volume 6580000 weight 1.0            
REMARK dnoe: 3.581269 position 1.229535 4.378645                                
ASSI { 965 }                                                                    
     ( attr rmsd >= 4.318645 and attr rmsd <= 4.438645 )                        
     (( attr rmsd >= 1.189535 and attr rmsd <= 1.269535 )                       
     and bondedto ( attr rmsd >= 32.15827 and attr rmsd <= 33.75827 ))
      3.6 3.6 1.4                                                               
      peak 965 ppm1 4.378645 ppm2 1.229535 volume 0.36e+07 weight 1.0           
REMARK dnoe: 2.575877 position 1.868092 4.571836                                
ASSI { 966 }                                                                    
     ( attr rmsd >= 4.511836 and attr rmsd <= 4.631836 )                        
     (( attr rmsd >= 1.828092 and attr rmsd <= 1.908092 )                       
     and bondedto ( attr rmsd >= 31.87085 and attr rmsd <= 33.47085 ))
      3.0 3.0 0.5999999                                                         
      peak 966 ppm1 4.571836 ppm2 1.868092 volume 26000000 weight 1.0           
REMARK dnoe: 2.756849 position 2.03214 3.21239                                  
ASSI { 967 }                                                                    
     ( attr rmsd >= 3.15239 and attr rmsd <= 3.27239 )                          
     (( attr rmsd >= 1.99214 and attr rmsd <= 2.07214 )                         
     and bondedto ( attr rmsd >= 31.80741 and attr rmsd <= 33.40741 ))
      3.0 3.0 0.5999999                                                         
      peak 967 ppm1 3.21239 ppm2 2.03214 volume 17300000 weight 1.0             
REMARK dnoe: 2.784343 position 1.770358 3.203303                                
ASSI { 968 }                                                                    
     ( attr rmsd >= 3.143303 and attr rmsd <= 3.263303 )                        
     (( attr rmsd >= 1.730358 and attr rmsd <= 1.810358 )                       
     and bondedto ( attr rmsd >= 31.85269 and attr rmsd <= 33.45269 ))
      3.0 3.0 0.5999999                                                         
      peak 968 ppm1 3.203303 ppm2 1.770358 volume 16300000 weight 1.0           
REMARK dnoe: 3.329009 position 1.514907 2.873333                                
ASSI { 969 }                                                                    
     ( attr rmsd >= 2.813333 and attr rmsd <= 2.933333 )                        
     (( attr rmsd >= 1.474907 and attr rmsd <= 1.554907 )                       
     and bondedto ( attr rmsd >= 32.28493 and attr rmsd <= 33.88493 ))
      3.6 3.6 1.4                                                               
      peak 969 ppm1 2.873333 ppm2 1.514907 volume 5580001 weight 1.0            
REMARK dnoe: 3.464787 position 1.214082 2.854343                                
ASSI { 970 }                                                                    
     ( attr rmsd >= 2.794343 and attr rmsd <= 2.914343 )                        
     (( attr rmsd >= 1.174082 and attr rmsd <= 1.254082 )                       
     and bondedto ( attr rmsd >= 32.23899 and attr rmsd <= 33.83899 ))
      3.6 3.6 1.4                                                               
      peak 970 ppm1 2.854343 ppm2 1.214082 volume 4390000 weight 1.0            
REMARK dnoe: 3.430492 position 1.517345 2.209206                                
ASSI { 971 }                                                                    
     ( attr rmsd >= 2.149206 and attr rmsd <= 2.269206 )                        
     (( attr rmsd >= 1.477345 and attr rmsd <= 1.557345 )                       
     and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
      3.6 3.6 1.4                                                               
      peak 971 ppm1 2.209206 ppm2 1.517345 volume 4660000 weight 1.0            
REMARK dnoe: 3.382616 position 1.218983 2.210925                                
ASSI { 972 }                                                                    
     ( attr rmsd >= 2.150925 and attr rmsd <= 2.270925 )                        
     (( attr rmsd >= 1.178983 and attr rmsd <= 1.258983 )                       
     and bondedto ( attr rmsd >= 32.10096 and attr rmsd <= 33.70096 ))
      3.6 3.6 1.4                                                               
      peak 972 ppm1 2.210925 ppm2 1.218983 volume 5070001 weight 1.0            
REMARK dnoe: 1.980123 position 2.024824 2.187681                                
ASSI { 973 }                                                                    
     ( attr rmsd >= 2.127681 and attr rmsd <= 2.247681 )                        
     (( attr rmsd >= 1.984824 and attr rmsd <= 2.064824 )                       
     and bondedto ( attr rmsd >= 31.83235 and attr rmsd <= 33.43235 ))
      2.5 2.5 0.2                                                               
      peak 973 ppm1 2.187681 ppm2 2.024824 volume 126000000 weight 1.0          
REMARK dnoe: 1.977516 position 1.857141 2.166564                                
ASSI { 974 }                                                                    
     ( attr rmsd >= 2.106564 and attr rmsd <= 2.226564 )                        
     (( attr rmsd >= 1.817141 and attr rmsd <= 1.897141 )                       
     and bondedto ( attr rmsd >= 31.91350 and attr rmsd <= 33.51350 ))
      2.5 2.5 0.2                                                               
      peak 974 ppm1 2.166564 ppm2 1.857141 volume 127000008 weight 1.0          
REMARK dnoe: 1.771188 position 1.775118 1.927358                                
ASSI { 975 }                                                                    
     ( attr rmsd >= 1.867358 and attr rmsd <= 1.987358 )                        
     (( attr rmsd >= 1.735118 and attr rmsd <= 1.815118 )                       
     and bondedto ( attr rmsd >= 32.45051 and attr rmsd <= 34.05051 ))
      2.5 2.5 0.2                                                               
      peak 975 ppm1 1.927358 ppm2 1.775118 volume 246000000 weight 1.0          
REMARK dnoe: 1.739651 position 1.935155 1.769699                                
ASSI { 976 }                                                                    
     ( attr rmsd >= 1.709699 and attr rmsd <= 1.829699 )                        
     (( attr rmsd >= 1.895155 and attr rmsd <= 1.975155 )                       
     and bondedto ( attr rmsd >= 32.48573 and attr rmsd <= 34.08573 ))
      2.5 2.5 0.2                                                               
      peak 976 ppm1 1.769699 ppm2 1.935155 volume 274000000 weight 1.0          
REMARK dnoe: 2.191823 position 1.935155 1.614575                                
ASSI { 977 }                                                                    
     ( attr rmsd >= 1.554575 and attr rmsd <= 1.674575 )                        
     (( attr rmsd >= 1.895155 and attr rmsd <= 1.975155 )                       
     and bondedto ( attr rmsd >= 32.53932 and attr rmsd <= 34.13932 ))
      2.5 2.5 0.2                                                               
      peak 977 ppm1 1.614575 ppm2 1.935155 volume 68500000 weight 1.0           
REMARK dnoe: 2.721325 position 1.512139 1.715864                                
ASSI { 978 }                                                                    
     ( attr rmsd >= 1.655864 and attr rmsd <= 1.775864 )                        
     (( attr rmsd >= 1.472139 and attr rmsd <= 1.552139 )                       
     and bondedto ( attr rmsd >= 32.10315 and attr rmsd <= 33.70315 ))
      3.0 3.0 0.5999999                                                         
      peak 978 ppm1 1.715864 ppm2 1.512139 volume 18700000 weight 1.0           
REMARK dnoe: 2.762197 position 1.514954 0.770426                                
ASSI { 981 }                                                                    
     ( attr rmsd >= 0.710426 and attr rmsd <= 0.830426 )                        
     (( attr rmsd >= 1.474954 and attr rmsd <= 1.554954 )                       
     and bondedto ( attr rmsd >= 32.14690 and attr rmsd <= 33.74690 ))
      3.0 3.0 0.5999999                                                         
      peak 981 ppm1 0.770426 ppm2 1.514954 volume 17100000 weight 1.0           
REMARK dnoe: 2.880351 position 1.211409 0.7493088                               
ASSI { 982 }                                                                    
     ( attr rmsd >= 0.6893088 and attr rmsd <= 0.8093088 )                      
     (( attr rmsd >= 1.171409 and attr rmsd <= 1.251409 )                       
     and bondedto ( attr rmsd >= 32.23899 and attr rmsd <= 33.83899 ))
      3.0 3.0 0.5999999                                                         
      peak 982 ppm1 0.7493088 ppm2 1.211409 volume 13300000 weight 1.0          
REMARK dnoe: 2.359637 position 1.213871 1.4993                                  
ASSI { 983 }                                                                    
     ( attr rmsd >= 1.4393 and attr rmsd <= 1.5593 )                            
     (( attr rmsd >= 1.173871 and attr rmsd <= 1.253871 )                       
     and bondedto ( attr rmsd >= 32.21580 and attr rmsd <= 33.81580 ))
      2.5 2.5 0.2                                                               
      peak 983 ppm1 1.4993 ppm2 1.213871 volume 44000000 weight 1.0             
REMARK dnoe: 3.420773 position 1.21434 1.701772                                 
ASSI { 984 }                                                                    
     ( attr rmsd >= 1.641772 and attr rmsd <= 1.761772 )                        
     (( attr rmsd >= 1.17434 and attr rmsd <= 1.25434 )                         
     and bondedto ( attr rmsd >= 32.18868 and attr rmsd <= 33.78868 ))
      3.6 3.6 1.4                                                               
      peak 984 ppm1 1.701772 ppm2 1.21434 volume 4740000 weight 1.0             
REMARK dnoe: 2.707039 position 4.885925 9.085386                                
ASSI { 985 }                                                                    
     ( attr rmsd >= 9.025386 and attr rmsd <= 9.145387 )                        
     (( attr rmsd >= 4.845925 and attr rmsd <= 4.925925 )                       
     and bondedto ( attr rmsd >= 59.58195 and attr rmsd <= 61.18195 ))
      3.0 3.0 0.5999999                                                         
      peak 985 ppm1 9.085386 ppm2 4.885925 volume 19300000 weight 1.0           
REMARK dnoe: 2.767618 position 3.992292 8.541217                                
ASSI { 987 }                                                                    
     ( attr rmsd >= 8.481216 and attr rmsd <= 8.601217 )                        
     (( attr rmsd >= 3.952292 and attr rmsd <= 4.032292 )                       
     and bondedto ( attr rmsd >= 59.44195 and attr rmsd <= 61.04195 ))
      3.0 3.0 0.5999999                                                         
      peak 987 ppm1 8.541217 ppm2 3.992292 volume 16900000 weight 1.0           
REMARK dnoe: 3.366218 position 3.997005 7.96158                                 
ASSI { 988 }                                                                    
     ( attr rmsd >= 7.90158 and attr rmsd <= 8.02158 )                          
     (( attr rmsd >= 3.957005 and attr rmsd <= 4.037005 )                       
     and bondedto ( attr rmsd >= 59.55854 and attr rmsd <= 61.15854 ))
      3.6 3.6 1.4                                                               
      peak 988 ppm1 7.96158 ppm2 3.997005 volume 5220000 weight 1.0             
REMARK dnoe: 3.176727 position 3.737967 8.370711                                
ASSI { 990 }                                                                    
     ( attr rmsd >= 8.310711 and attr rmsd <= 8.430712 )                        
     (( attr rmsd >= 3.697967 and attr rmsd <= 3.777967 )                       
     and bondedto ( attr rmsd >= 59.49401 and attr rmsd <= 61.09401 ))
      3.6 3.6 1.4                                                               
      peak 990 ppm1 8.370711 ppm2 3.737967 volume 7390000 weight 1.0            
REMARK dnoe: 3.424395 position 3.739468 8.049314                                
ASSI { 991 }                                                                    
     ( attr rmsd >= 7.989314 and attr rmsd <= 8.109314 )                        
     (( attr rmsd >= 3.699468 and attr rmsd <= 3.779468 )                       
     and bondedto ( attr rmsd >= 59.40717 and attr rmsd <= 61.00717 ))
      3.6 3.6 1.4                                                               
      peak 991 ppm1 8.049314 ppm2 3.739468 volume 4710000 weight 1.0            
REMARK dnoe: 3.532302 position 3.742422 6.552101                                
ASSI { 992 }                                                                    
     ( attr rmsd >= 6.492101 and attr rmsd <= 6.612101 )                        
     (( attr rmsd >= 3.702422 and attr rmsd <= 3.782422 )                       
     and bondedto ( attr rmsd >= 59.56641 and attr rmsd <= 61.16641 ))
      3.6 3.6 1.4                                                               
      peak 992 ppm1 6.552101 ppm2 3.742422 volume 3910000 weight 1.0            
REMARK dnoe: 2.968476 position 3.990886 4.595016                                
ASSI { 993 }                                                                    
     ( attr rmsd >= 4.535016 and attr rmsd <= 4.655016 )                        
     (( attr rmsd >= 3.950886 and attr rmsd <= 4.030886 )                       
     and bondedto ( attr rmsd >= 59.57144 and attr rmsd <= 61.17144 ))
      3.0 3.0 0.5999999                                                         
      peak 993 ppm1 4.595016 ppm2 3.990886 volume 11100000 weight 1.0           
REMARK dnoe: 3.370537 position 3.743032 -0.0230899                              
ASSI { 994 }                                                                    
     ( attr rmsd >= -0.0830899 and attr rmsd <= 0.0369101 )                     
     (( attr rmsd >= 3.703032 and attr rmsd <= 3.783032 )                       
     and bondedto ( attr rmsd >= 59.56488 and attr rmsd <= 61.16488 ))
      3.6 3.6 1.4                                                               
      peak 994 ppm1 -0.0230899 ppm2 3.743032 volume 5180000 weight 1.0          
REMARK dnoe: 2.829504 position 3.740945 0.1648383                               
ASSI { 995 }                                                                    
     ( attr rmsd >= 0.1048383 and attr rmsd <= 0.2248383 )                      
     (( attr rmsd >= 3.700945 and attr rmsd <= 3.780945 )                       
     and bondedto ( attr rmsd >= 59.49773 and attr rmsd <= 61.09773 ))
      3.0 3.0 0.5999999                                                         
      peak 995 ppm1 0.1648383 ppm2 3.740945 volume 14800000 weight 1.0          
REMARK dnoe: 3.142253 position 3.738858 0.43891                                 
ASSI { 996 }                                                                    
     ( attr rmsd >= 0.37891 and attr rmsd <= 0.49891 )                          
     (( attr rmsd >= 3.698858 and attr rmsd <= 3.778858 )                       
     and bondedto ( attr rmsd >= 59.51129 and attr rmsd <= 61.11129 ))
      3.6 3.6 1.4                                                               
      peak 996 ppm1 0.43891 ppm2 3.738858 volume 0.789e+07 weight 1.0           
REMARK dnoe: 3.172449 position 3.738858 1.026173                                
ASSI { 997 }                                                                    
     ( attr rmsd >= 0.966173 and attr rmsd <= 1.086173 )                        
     (( attr rmsd >= 3.698858 and attr rmsd <= 3.778858 )                       
     and bondedto ( attr rmsd >= 59.49773 and attr rmsd <= 61.09773 ))
      3.6 3.6 1.4                                                               
      peak 997 ppm1 1.026173 ppm2 3.738858 volume 7450000 weight 1.0            
REMARK dnoe: 3.093268 position 3.738858 1.20235                                 
ASSI { 998 }                                                                    
     ( attr rmsd >= 1.14235 and attr rmsd <= 1.26235 )                          
     (( attr rmsd >= 3.698858 and attr rmsd <= 3.778858 )                       
     and bondedto ( attr rmsd >= 59.61169 and attr rmsd <= 61.21169 ))
      3.6 3.6 1.4                                                               
      peak 998 ppm1 1.20235 ppm2 3.738858 volume 8670000 weight 1.0             
REMARK dnoe: 2.866161 position 3.981858 1.625144                                
ASSI { 999 }                                                                    
     ( attr rmsd >= 1.565144 and attr rmsd <= 1.685144 )                        
     (( attr rmsd >= 3.941858 and attr rmsd <= 4.021858 )                       
     and bondedto ( attr rmsd >= 59.51676 and attr rmsd <= 61.11676 ))
      3.0 3.0 0.5999999                                                         
      peak 999 ppm1 1.625144 ppm2 3.981858 volume 13699999 weight 1.0           
REMARK dnoe: 2.996096 position 3.994333 1.260567                                
ASSI { 1000 }                                                                   
     ( attr rmsd >= 1.200567 and attr rmsd <= 1.320567 )                        
     (( attr rmsd >= 3.954333 and attr rmsd <= 4.034333 )                       
     and bondedto ( attr rmsd >= 59.47476 and attr rmsd <= 61.07476 ))
      3.0 3.0 0.5999999                                                         
      peak 1000 ppm1 1.260567 ppm2 3.994333 volume 10500000 weight 1.0          
REMARK dnoe: 3.039599 position 3.994333 0.9640033                               
ASSI { 1001 }                                                                   
     ( attr rmsd >= 0.9040033 and attr rmsd <= 1.024003 )                       
     (( attr rmsd >= 3.954333 and attr rmsd <= 4.034333 )                       
     and bondedto ( attr rmsd >= 59.45093 and attr rmsd <= 61.05093 ))
      3.6 3.6 1.4                                                               
      peak 1001 ppm1 0.9640033 ppm2 3.994333 volume 9630000 weight 1.0          
REMARK dnoe: 2.883976 position 3.996396 0.6674609                               
ASSI { 1002 }                                                                   
     ( attr rmsd >= 0.6074609 and attr rmsd <= 0.7274609 )                      
     (( attr rmsd >= 3.956396 and attr rmsd <= 4.036396 )                       
     and bondedto ( attr rmsd >= 59.49882 and attr rmsd <= 61.09882 ))
      3.0 3.0 0.5999999                                                         
      peak 1002 ppm1 0.6674609 ppm2 3.996396 volume 13200000 weight 1.0         
REMARK dnoe: 2.813879 position 3.991824 0.3272877                               
ASSI { 1003 }                                                                   
     ( attr rmsd >= 0.2672877 and attr rmsd <= 0.3872877 )                      
     (( attr rmsd >= 3.951824 and attr rmsd <= 4.031824 )                       
     and bondedto ( attr rmsd >= 59.47476 and attr rmsd <= 61.07476 ))
      3.0 3.0 0.5999999                                                         
      peak 1003 ppm1 0.3272877 ppm2 3.991824 volume 15300000 weight 1.0         
REMARK dnoe: 2.778689 position 4.885315 0.6786962                               
ASSI { 1004 }                                                                   
     ( attr rmsd >= 0.6186962 and attr rmsd <= 0.7386962 )                      
     (( attr rmsd >= 4.845315 and attr rmsd <= 4.925315 )                       
     and bondedto ( attr rmsd >= 59.42117 and attr rmsd <= 61.02117 ))
      3.0 3.0 0.5999999                                                         
      peak 1004 ppm1 0.6786962 ppm2 4.885315 volume 16500001 weight 1.0         
REMARK dnoe: 3.083855 position 4.889466 1.403747                                
ASSI { 1005 }                                                                   
     ( attr rmsd >= 1.343747 and attr rmsd <= 1.463747 )                        
     (( attr rmsd >= 4.849466 and attr rmsd <= 4.929466 )                       
     and bondedto ( attr rmsd >= 59.27330 and attr rmsd <= 60.87330 ))
      3.6 3.6 1.4                                                               
      peak 1005 ppm1 1.403747 ppm2 4.889466 volume 8830000 weight 1.0           
REMARK dnoe: 3.204039 position 4.067024 0.6438947                               
ASSI { 1006 }                                                                   
     ( attr rmsd >= 0.5838947 and attr rmsd <= 0.7038947 )                      
     (( attr rmsd >= 4.027024 and attr rmsd <= 4.107024 )                       
     and bondedto ( attr rmsd >= 59.61082 and attr rmsd <= 61.21082 ))
      3.6 3.6 1.4                                                               
      peak 1006 ppm1 0.6438947 ppm2 4.067024 volume 7020000 weight 1.0          
REMARK dnoe: 2.951012 position -0.0521979 8.422871                              
ASSI { 1007 }                                                                   
     ( attr rmsd >= 8.36287 and attr rmsd <= 8.482871 )                         
     (( attr rmsd >= -0.0921979 and attr rmsd <= -0.0121979 )                   
     and bondedto ( attr rmsd >= 31.68666 and attr rmsd <= 33.28666 ))
      3.0 3.0 0.5999999                                                         
      peak 1007 ppm1 8.422871 ppm2 -0.0521979 volume 11500000 weight 1.0        
REMARK dnoe: 3.242085 position 2.346353 7.73101                                 
ASSI { 1008 }                                                                   
     ( attr rmsd >= 7.67101 and attr rmsd <= 7.79101 )                          
     (( attr rmsd >= 2.306353 and attr rmsd <= 2.386353 )                       
     and bondedto ( attr rmsd >= 31.78554 and attr rmsd <= 33.38554 ))
      3.6 3.6 1.4                                                               
      peak 1008 ppm1 7.73101 ppm2 2.346353 volume 6540000 weight 1.0            
REMARK dnoe: 3.371623 position 2.340749 7.876123                                
ASSI { 1009 }                                                                   
     ( attr rmsd >= 7.816123 and attr rmsd <= 7.936123 )                        
     (( attr rmsd >= 2.300749 and attr rmsd <= 2.380749 )                       
     and bondedto ( attr rmsd >= 31.74682 and attr rmsd <= 33.34682 ))
      3.6 3.6 1.4                                                               
      peak 1009 ppm1 7.876123 ppm2 2.340749 volume 5170000 weight 1.0           
REMARK dnoe: 3.132406 position 1.798613 7.732707                                
ASSI { 1010 }                                                                   
     ( attr rmsd >= 7.672707 and attr rmsd <= 7.792707 )                        
     (( attr rmsd >= 1.758613 and attr rmsd <= 1.838613 )                       
     and bondedto ( attr rmsd >= 31.84153 and attr rmsd <= 33.44153 ))
      3.6 3.6 1.4                                                               
      peak 1010 ppm1 7.732707 ppm2 1.798613 volume 8040000 weight 1.0           
REMARK dnoe: 3.459554 position 1.792986 7.883685                                
ASSI { 1011 }                                                                   
     ( attr rmsd >= 7.823685 and attr rmsd <= 7.943685 )                        
     (( attr rmsd >= 1.752986 and attr rmsd <= 1.832986 )                       
     and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
      3.6 3.6 1.4                                                               
      peak 1011 ppm1 7.883685 ppm2 1.792986 volume 4430000 weight 1.0           
REMARK dnoe: 3.218725 position 1.770569 8.019561                                
ASSI { 1012 }                                                                   
     ( attr rmsd >= 7.959561 and attr rmsd <= 8.079561 )                        
     (( attr rmsd >= 1.730569 and attr rmsd <= 1.810569 )                       
     and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
      3.6 3.6 1.4                                                               
      peak 1012 ppm1 8.019561 ppm2 1.770569 volume 6830001 weight 1.0           
REMARK dnoe: 3.503056 position 2.03228 8.017391                                 
ASSI { 1013 }                                                                   
     ( attr rmsd >= 7.957391 and attr rmsd <= 8.077392 )                        
     (( attr rmsd >= 1.99228 and attr rmsd <= 2.07228 )                         
     and bondedto ( attr rmsd >= 31.77504 and attr rmsd <= 33.37504 ))
      3.6 3.6 1.4                                                               
      peak 1013 ppm1 8.017391 ppm2 2.03228 volume 0.411e+07 weight 1.0          
REMARK dnoe: 3.287163 position 2.030428 8.332301                                
ASSI { 1014 }                                                                   
     ( attr rmsd >= 8.272301 and attr rmsd <= 8.392302 )                        
     (( attr rmsd >= 1.990428 and attr rmsd <= 2.070428 )                       
     and bondedto ( attr rmsd >= 31.81944 and attr rmsd <= 33.41944 ))
      3.6 3.6 1.4                                                               
      peak 1014 ppm1 8.332301 ppm2 2.030428 volume 6020000 weight 1.0           
REMARK dnoe: 3.228248 position 1.862159 8.347382                                
ASSI { 1015 }                                                                   
     ( attr rmsd >= 8.287381 and attr rmsd <= 8.407382 )                        
     (( attr rmsd >= 1.822159 and attr rmsd <= 1.902159 )                       
     and bondedto ( attr rmsd >= 31.73085 and attr rmsd <= 33.33085 ))
      3.6 3.6 1.4                                                               
      peak 1015 ppm1 8.347382 ppm2 1.862159 volume 6710000 weight 1.0           
REMARK dnoe: 3.374894 position 1.867764 8.185619                                
ASSI { 1016 }                                                                   
     ( attr rmsd >= 8.125619 and attr rmsd <= 8.24562 )                         
     (( attr rmsd >= 1.827764 and attr rmsd <= 1.907764 )                       
     and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
      3.6 3.6 1.4                                                               
      peak 1016 ppm1 8.185619 ppm2 1.867764 volume 5140000 weight 1.0           
REMARK dnoe: 3.541418 position 2.03228 8.183472                                 
ASSI { 1017 }                                                                   
     ( attr rmsd >= 8.123471 and attr rmsd <= 8.243472 )                        
     (( attr rmsd >= 1.99228 and attr rmsd <= 2.07228 )                         
     and bondedto ( attr rmsd >= 31.88572 and attr rmsd <= 33.48572 ))
      3.6 3.6 1.4                                                               
      peak 1017 ppm1 8.183472 ppm2 2.03228 volume 3850000 weight 1.0            
REMARK dnoe: 3.048635 position 1.778049 8.761497                                
ASSI { 1018 }                                                                   
     ( attr rmsd >= 8.701496 and attr rmsd <= 8.821497 )                        
     (( attr rmsd >= 1.738049 and attr rmsd <= 1.818049 )                       
     and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
      3.6 3.6 1.4                                                               
      peak 1018 ppm1 8.761497 ppm2 1.778049 volume 9460000 weight 1.0           
REMARK dnoe: 2.895048 position 2.034156 8.750713                                
ASSI { 1019 }                                                                   
     ( attr rmsd >= 8.690713 and attr rmsd <= 8.810714 )                        
     (( attr rmsd >= 1.994156 and attr rmsd <= 2.074156 )                       
     and bondedto ( attr rmsd >= 31.84153 and attr rmsd <= 33.44153 ))
      3.0 3.0 0.5999999                                                         
      peak 1019 ppm1 8.750713 ppm2 2.034156 volume 12899999 weight 1.0          
REMARK dnoe: 3.010607 position 1.878996 8.703259                                
ASSI { 1020 }                                                                   
     ( attr rmsd >= 8.643259 and attr rmsd <= 8.76326 )                         
     (( attr rmsd >= 1.838996 and attr rmsd <= 1.918996 )                       
     and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
      3.6 3.6 1.4                                                               
      peak 1020 ppm1 8.703259 ppm2 1.878996 volume 10200000 weight 1.0          
REMARK dnoe: 3.115834 position 1.996778 9.050499                                
ASSI { 1021 }                                                                   
     ( attr rmsd >= 8.990499 and attr rmsd <= 9.110499 )                        
     (( attr rmsd >= 1.956778 and attr rmsd <= 2.036778 )                       
     and bondedto ( attr rmsd >= 31.62038 and attr rmsd <= 33.22038 ))
      3.6 3.6 1.4                                                               
      peak 1021 ppm1 9.050499 ppm2 1.996778 volume 8300000 weight 1.0           
REMARK dnoe: 3.242085 position 2.082766 9.039715                                
ASSI { 1022 }                                                                   
     ( attr rmsd >= 8.979714 and attr rmsd <= 9.099715 )                        
     (( attr rmsd >= 2.042766 and attr rmsd <= 2.122766 )                       
     and bondedto ( attr rmsd >= 31.55389 and attr rmsd <= 33.15389 ))
      3.6 3.6 1.4                                                               
      peak 1022 ppm1 9.039715 ppm2 2.082766 volume 6540000 weight 1.0           
REMARK dnoe: 3.467425 position 2.084641 9.272648                                
ASSI { 1023 }                                                                   
     ( attr rmsd >= 9.212647 and attr rmsd <= 9.332648 )                        
     (( attr rmsd >= 2.044641 and attr rmsd <= 2.124641 )                       
     and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
      3.6 3.6 1.4                                                               
      peak 1023 ppm1 9.272648 ppm2 2.084641 volume 4370000 weight 1.0           
REMARK dnoe: 3.535323 position 2.004236 9.253228                                
ASSI { 1024 }                                                                   
     ( attr rmsd >= 9.193228 and attr rmsd <= 9.313229 )                        
     (( attr rmsd >= 1.964236 and attr rmsd <= 2.044236 )                       
     and bondedto ( attr rmsd >= 31.64248 and attr rmsd <= 33.24248 ))
      3.6 3.6 1.4                                                               
      peak 1024 ppm1 9.253228 ppm2 2.004236 volume 3890000 weight 1.0           
REMARK dnoe: 3.095055 position 0.6159511 4.126056                               
ASSI { 1025 }                                                                   
     ( attr rmsd >= 4.066056 and attr rmsd <= 4.186056 )                        
     (( attr rmsd >= 0.5759511 and attr rmsd <= 0.6559511 )                     
     and bondedto ( attr rmsd >= 31.75294 and attr rmsd <= 33.35294 ))
      3.6 3.6 1.4                                                               
      peak 1025 ppm1 4.126056 ppm2 0.6159511 volume 8640000 weight 1.0          
REMARK dnoe: 2.873195 position -0.0542617 4.120878                              
ASSI { 1026 }                                                                   
     ( attr rmsd >= 4.060878 and attr rmsd <= 4.180878 )                        
     (( attr rmsd >= -0.0942617 and attr rmsd <= -0.0142617 )                   
     and bondedto ( attr rmsd >= 31.66457 and attr rmsd <= 33.26457 ))
      3.0 3.0 0.5999999                                                         
      peak 1026 ppm1 4.120878 ppm2 -0.0542617 volume 13500001 weight 1.0        
REMARK dnoe: 2.964042 position 1.773453 5.150463                                
ASSI { 1027 }                                                                   
     ( attr rmsd >= 5.090463 and attr rmsd <= 5.210463 )                        
     (( attr rmsd >= 1.733453 and attr rmsd <= 1.813453 )                       
     and bondedto ( attr rmsd >= 31.81944 and attr rmsd <= 33.41944 ))
      3.0 3.0 0.5999999                                                         
      peak 1027 ppm1 5.150463 ppm2 1.773453 volume 11200000 weight 1.0          
REMARK dnoe: 2.646602 position 2.342625 4.481266                                
ASSI { 1028 }                                                                   
     ( attr rmsd >= 4.421266 and attr rmsd <= 4.541266 )                        
     (( attr rmsd >= 2.302625 and attr rmsd <= 2.382625 )                       
     and bondedto ( attr rmsd >= 31.75316 and attr rmsd <= 33.35316 ))
      3.0 3.0 0.5999999                                                         
      peak 1028 ppm1 4.481266 ppm2 2.342625 volume 22100000 weight 1.0          
REMARK dnoe: 2.498781 position 2.218393 4.503586                                
ASSI { 1029 }                                                                   
     ( attr rmsd >= 4.443586 and attr rmsd <= 4.563586 )                        
     (( attr rmsd >= 2.178393 and attr rmsd <= 2.258393 )                       
     and bondedto ( attr rmsd >= 31.35483 and attr rmsd <= 32.95483 ))
      2.5 2.5 0.2                                                               
      peak 1029 ppm1 4.503586 ppm2 2.218393 volume 31200000 weight 1.0          
REMARK dnoe: 2.201023 position 2.220245 4.337507                                
ASSI { 1030 }                                                                   
     ( attr rmsd >= 4.277507 and attr rmsd <= 4.397507 )                        
     (( attr rmsd >= 2.180245 and attr rmsd <= 2.260245 )                       
     and bondedto ( attr rmsd >= 31.42133 and attr rmsd <= 33.02133 ))
      2.5 2.5 0.2                                                               
      peak 1030 ppm1 4.337507 ppm2 2.220245 volume 66800000 weight 1.0          
REMARK dnoe: 2.835928 position 2.02956 4.556219                                 
ASSI { 1031 }                                                                   
     ( attr rmsd >= 4.496219 and attr rmsd <= 4.616219 )                        
     (( attr rmsd >= 1.98956 and attr rmsd <= 2.06956 )                         
     and bondedto ( attr rmsd >= 31.86319 and attr rmsd <= 33.46319 ))
      3.0 3.0 0.5999999                                                         
      peak 1031 ppm1 4.556219 ppm2 2.02956 volume 14600000 weight 1.0           
REMARK dnoe: 2.596243 position 1.790266 4.341825                                
ASSI { 1032 }                                                                   
     ( attr rmsd >= 4.281825 and attr rmsd <= 4.401825 )                        
     (( attr rmsd >= 1.750266 and attr rmsd <= 1.830266 )                       
     and bondedto ( attr rmsd >= 31.44342 and attr rmsd <= 33.04342 ))
      3.0 3.0 0.5999999                                                         
      peak 1032 ppm1 4.341825 ppm2 1.790266 volume 24800000 weight 1.0          
REMARK dnoe: 3.586267 position 2.349237 3.519717                                
ASSI { 1033 }                                                                   
     ( attr rmsd >= 3.459717 and attr rmsd <= 3.579717 )                        
     (( attr rmsd >= 2.309237 and attr rmsd <= 2.389237 )                       
     and bondedto ( attr rmsd >= 31.78094 and attr rmsd <= 33.38094 ))
      3.6 3.6 1.4                                                               
      peak 1033 ppm1 3.519717 ppm2 2.349237 volume 3570000 weight 1.0           
REMARK dnoe: 3.271062 position 2.349237 3.796108                                
ASSI { 1034 }                                                                   
     ( attr rmsd >= 3.736108 and attr rmsd <= 3.856108 )                        
     (( attr rmsd >= 2.309237 and attr rmsd <= 2.389237 )                       
     and bondedto ( attr rmsd >= 31.77875 and attr rmsd <= 33.37875 ))
      3.6 3.6 1.4                                                               
      peak 1034 ppm1 3.796108 ppm2 2.349237 volume 6200000 weight 1.0           
REMARK dnoe: 2.492169 position 2.216517 3.701264                                
ASSI { 1035 }                                                                   
     ( attr rmsd >= 3.641264 and attr rmsd <= 3.761264 )                        
     (( attr rmsd >= 2.176517 and attr rmsd <= 2.256517 )                       
     and bondedto ( attr rmsd >= 31.35483 and attr rmsd <= 32.95483 ))
      2.5 2.5 0.2                                                               
      peak 1035 ppm1 3.701264 ppm2 2.216517 volume 31700000 weight 1.0          
REMARK dnoe: 2.972957 position 2.027684 3.737934                                
ASSI { 1036 }                                                                   
     ( attr rmsd >= 3.677934 and attr rmsd <= 3.797934 )                        
     (( attr rmsd >= 1.987684 and attr rmsd <= 2.067684 )                       
     and bondedto ( attr rmsd >= 31.88572 and attr rmsd <= 33.48572 ))
      3.0 3.0 0.5999999                                                         
      peak 1036 ppm1 3.737934 ppm2 2.027684 volume 11000000 weight 1.0          
REMARK dnoe: 2.682145 position 1.794018 3.789685                                
ASSI { 1037 }                                                                   
     ( attr rmsd >= 3.729685 and attr rmsd <= 3.849685 )                        
     (( attr rmsd >= 1.754018 and attr rmsd <= 1.834018 )                       
     and bondedto ( attr rmsd >= 31.84153 and attr rmsd <= 33.44153 ))
      3.0 3.0 0.5999999                                                         
      peak 1037 ppm1 3.789685 ppm2 1.794018 volume 20400000 weight 1.0          
REMARK dnoe: 2.548829 position 1.779737 3.563218                                
ASSI { 1038 }                                                                   
     ( attr rmsd >= 3.503218 and attr rmsd <= 3.623218 )                        
     (( attr rmsd >= 1.739737 and attr rmsd <= 1.819737 )                       
     and bondedto ( attr rmsd >= 31.42286 and attr rmsd <= 33.02286 ))
      3.0 3.0 0.5999999                                                         
      peak 1038 ppm1 3.563218 ppm2 1.779737 volume 27700002 weight 1.0          
REMARK dnoe: 2.630963 position 1.79587 4.488829                                 
ASSI { 1039 }                                                                   
     ( attr rmsd >= 4.428829 and attr rmsd <= 4.548829 )                        
     (( attr rmsd >= 1.75587 and attr rmsd <= 1.83587 )                         
     and bondedto ( attr rmsd >= 31.73851 and attr rmsd <= 33.33851 ))
      3.0 3.0 0.5999999                                                         
      peak 1039 ppm1 4.488829 ppm2 1.79587 volume 22900000 weight 1.0           
REMARK dnoe: 2.591045 position 0.6184368 -0.059309                              
ASSI { 1040 }                                                                   
     ( attr rmsd >= -0.119309 and attr rmsd <= 0.6910004e-03 )                  
     (( attr rmsd >= 0.5784368 and attr rmsd <= 0.6584368 )                     
     and bondedto ( attr rmsd >= 31.64991 and attr rmsd <= 33.24991 ))
      3.0 3.0 0.5999999                                                         
      peak 1040 ppm1 -0.059309 ppm2 0.6184368 volume 25099998 weight 1.0        
REMARK dnoe: 2.401438 position -0.0494781 0.6180086                             
ASSI { 1041 }                                                                   
     ( attr rmsd >= 0.5580086 and attr rmsd <= 0.6780086 )                      
     (( attr rmsd >= -0.0894781 and attr rmsd <= -0.0094781 )                   
     and bondedto ( attr rmsd >= 31.66501 and attr rmsd <= 33.26501 ))
      2.5 2.5 0.2                                                               
      peak 1041 ppm1 0.6180086 ppm2 -0.0494781 volume 39600000 weight 1.0       
REMARK dnoe: 2.934244 position 0.6102762 1.099643                               
ASSI { 1042 }                                                                   
     ( attr rmsd >= 1.039643 and attr rmsd <= 1.159643 )                        
     (( attr rmsd >= 0.5702762 and attr rmsd <= 0.6502762 )                     
     and bondedto ( attr rmsd >= 31.68841 and attr rmsd <= 33.28841 ))
      3.0 3.0 0.5999999                                                         
      peak 1042 ppm1 1.099643 ppm2 0.6102762 volume 11900000 weight 1.0         
REMARK dnoe: 2.675627 position -0.0454211 1.099643                              
ASSI { 1043 }                                                                   
     ( attr rmsd >= 1.039643 and attr rmsd <= 1.159643 )                        
     (( attr rmsd >= -0.0854211 and attr rmsd <= -0.0054211 )                   
     and bondedto ( attr rmsd >= 31.72757 and attr rmsd <= 33.32757 ))
      3.0 3.0 0.5999999                                                         
      peak 1043 ppm1 1.099643 ppm2 -0.0454211 volume 20700000 weight 1.0        
REMARK dnoe: 3.411244 position -0.0494781 1.498506                              
ASSI { 1044 }                                                                   
     ( attr rmsd >= 1.438506 and attr rmsd <= 1.558506 )                        
     (( attr rmsd >= -0.0894781 and attr rmsd <= -0.0094781 )                   
     and bondedto ( attr rmsd >= 31.59304 and attr rmsd <= 33.19304 ))
      3.6 3.6 1.4                                                               
      peak 1044 ppm1 1.498506 ppm2 -0.0494781 volume 4820000 weight 1.0         
REMARK dnoe: 4.212089 position 0.6225166 1.502265                               
ASSI { 1045 }                                                                   
     ( attr rmsd >= 1.442265 and attr rmsd <= 1.562265 )                        
     (( attr rmsd >= 0.5825166 and attr rmsd <= 0.6625166 )                     
     and bondedto ( attr rmsd >= 31.57160 and attr rmsd <= 33.17160 ))
      4.2 4.2 1.8                                                               
      peak 1045 ppm1 1.502265 ppm2 0.6225166 volume 0.136e+07 weight 1.0        
REMARK dnoe: 2.390497 position 2.345626 2.00115                                 
ASSI { 1046 }                                                                   
     ( attr rmsd >= 1.94115 and attr rmsd <= 2.06115 )                          
     (( attr rmsd >= 2.305626 and attr rmsd <= 2.385626 )                       
     and bondedto ( attr rmsd >= 31.68863 and attr rmsd <= 33.28863 ))
      2.5 2.5 0.2                                                               
      peak 1046 ppm1 2.00115 ppm2 2.345626 volume 40700000 weight 1.0           
REMARK dnoe: 2.299289 position 2.345626 1.794275                                
ASSI { 1047 }                                                                   
     ( attr rmsd >= 1.734275 and attr rmsd <= 1.854275 )                        
     (( attr rmsd >= 2.305626 and attr rmsd <= 2.385626 )                       
     and bondedto ( attr rmsd >= 31.73413 and attr rmsd <= 33.33413 ))
      2.5 2.5 0.2                                                               
      peak 1047 ppm1 1.794275 ppm2 2.345626 volume 51400000 weight 1.0          
REMARK dnoe: 1.82142 position 2.216963 1.783319                                 
ASSI { 1048 }                                                                   
     ( attr rmsd >= 1.723319 and attr rmsd <= 1.843319 )                        
     (( attr rmsd >= 2.176963 and attr rmsd <= 2.256963 )                       
     and bondedto ( attr rmsd >= 31.44342 and attr rmsd <= 33.04342 ))
      2.5 2.5 0.2                                                               
      peak 1048 ppm1 1.783319 ppm2 2.216963 volume 208000000 weight 1.0         
REMARK dnoe: 1.700588 position 2.219049 1.899753                                
ASSI { 1049 }                                                                   
     ( attr rmsd >= 1.839753 and attr rmsd <= 1.959753 )                        
     (( attr rmsd >= 2.179049 and attr rmsd <= 2.259049 )                       
     and bondedto ( attr rmsd >= 31.37692 and attr rmsd <= 32.97692 ))
      2.5 2.5 0.2                                                               
      peak 1049 ppm1 1.899753 ppm2 2.219049 volume 314000000 weight 1.0         
REMARK dnoe: 1.867577 position 2.030217 1.849828                                
ASSI { 1050 }                                                                   
     ( attr rmsd >= 1.789828 and attr rmsd <= 1.909828 )                        
     (( attr rmsd >= 1.990217 and attr rmsd <= 2.070217 )                       
     and bondedto ( attr rmsd >= 31.85182 and attr rmsd <= 33.45182 ))
      2.5 2.5 0.2                                                               
      peak 1050 ppm1 1.849828 ppm2 2.030217 volume 179000000 weight 1.0         
REMARK dnoe: 2.433177 position 2.036454 1.501191                                
ASSI { 1051 }                                                                   
     ( attr rmsd >= 1.441191 and attr rmsd <= 1.561191 )                        
     (( attr rmsd >= 1.996454 and attr rmsd <= 2.076454 )                       
     and bondedto ( attr rmsd >= 31.77766 and attr rmsd <= 33.37766 ))
      2.5 2.5 0.2                                                               
      peak 1051 ppm1 1.501191 ppm2 2.036454 volume 36600000 weight 1.0          
REMARK dnoe: 2.101402 position 1.770545 1.507378                                
ASSI { 1052 }                                                                   
     ( attr rmsd >= 1.447378 and attr rmsd <= 1.567378 )                        
     (( attr rmsd >= 1.730545 and attr rmsd <= 1.810545 )                       
     and bondedto ( attr rmsd >= 31.86363 and attr rmsd <= 33.46363 ))
      2.5 2.5 0.2                                                               
      peak 1052 ppm1 1.507378 ppm2 1.770545 volume 88200000 weight 1.0          
REMARK dnoe: 2.938374 position 1.79784 1.095067                                 
ASSI { 1053 }                                                                   
     ( attr rmsd >= 1.035067 and attr rmsd <= 1.155067 )                        
     (( attr rmsd >= 1.75784 and attr rmsd <= 1.83784 )                         
     and bondedto ( attr rmsd >= 31.79997 and attr rmsd <= 33.39997 ))
      3.0 3.0 0.5999999                                                         
      peak 1053 ppm1 1.095067 ppm2 1.79784 volume 11800000 weight 1.0           
REMARK dnoe: 3.487669 position 2.35184 1.081662                                 
ASSI { 1054 }                                                                   
     ( attr rmsd >= 1.021662 and attr rmsd <= 1.141662 )                        
     (( attr rmsd >= 2.31184 and attr rmsd <= 2.39184 )                         
     and bondedto ( attr rmsd >= 31.79582 and attr rmsd <= 33.39582 ))
      3.6 3.6 1.4                                                               
      peak 1054 ppm1 1.081662 ppm2 2.35184 volume 4220000 weight 1.0            
REMARK dnoe: 2.584227 position 1.793689 0.7694163                               
ASSI { 1055 }                                                                   
     ( attr rmsd >= 0.7094163 and attr rmsd <= 0.8294163 )                      
     (( attr rmsd >= 1.753689 and attr rmsd <= 1.833689 )                       
     and bondedto ( attr rmsd >= 31.82644 and attr rmsd <= 33.42644 ))
      3.0 3.0 0.5999999                                                         
      peak 1055 ppm1 0.7694163 ppm2 1.793689 volume 25500000 weight 1.0         
REMARK dnoe: 1.864121 position 1.789539 2.197262                                
ASSI { 1056 }                                                                   
     ( attr rmsd >= 2.137262 and attr rmsd <= 2.257262 )                        
     (( attr rmsd >= 1.749539 and attr rmsd <= 1.829539 )                       
     and bondedto ( attr rmsd >= 31.42133 and attr rmsd <= 33.02133 ))
      2.5 2.5 0.2                                                               
      peak 1056 ppm1 2.197262 ppm2 1.789539 volume 181000000 weight 1.0         
REMARK dnoe: 2.133199 position 1.795752 2.336404                                
ASSI { 1057 }                                                                   
     ( attr rmsd >= 2.276404 and attr rmsd <= 2.396404 )                        
     (( attr rmsd >= 1.755752 and attr rmsd <= 1.835752 )                       
     and bondedto ( attr rmsd >= 31.71729 and attr rmsd <= 33.31729 ))
      2.5 2.5 0.2                                                               
      peak 1057 ppm1 2.336404 ppm2 1.795752 volume 80600000 weight 1.0          
REMARK dnoe: 2.887634 position 1.562273 9.202379                                
ASSI { 1058 }                                                                   
     ( attr rmsd >= 9.142379 and attr rmsd <= 9.26238 )                         
     (( attr rmsd >= 1.522273 and attr rmsd <= 1.602273 )                       
     and bondedto ( attr rmsd >= 31.39267 and attr rmsd <= 32.99267 ))
      3.0 3.0 0.5999999                                                         
      peak 1058 ppm1 9.202379 ppm2 1.562273 volume 13100000 weight 1.0          
REMARK dnoe: 3.44166 position 2.080608 6.954122                                 
ASSI { 1059 }                                                                   
     ( attr rmsd >= 6.894122 and attr rmsd <= 7.014122 )                        
     (( attr rmsd >= 2.040608 and attr rmsd <= 2.120608 )                       
     and bondedto ( attr rmsd >= 31.64248 and attr rmsd <= 33.24248 ))
      3.6 3.6 1.4                                                               
      peak 1059 ppm1 6.954122 ppm2 2.080608 volume 4570000 weight 1.0           
REMARK dnoe: 3.405382 position 1.991292 6.948837                                
ASSI { 1060 }                                                                   
     ( attr rmsd >= 6.888837 and attr rmsd <= 7.008837 )                        
     (( attr rmsd >= 1.951292 and attr rmsd <= 2.031292 )                       
     and bondedto ( attr rmsd >= 31.62038 and attr rmsd <= 33.22038 ))
      3.6 3.6 1.4                                                               
      peak 1060 ppm1 6.948837 ppm2 1.991292 volume 4870000 weight 1.0           
REMARK dnoe: 3.864544 position 1.984234 6.557751                                
ASSI { 1061 }                                                                   
     ( attr rmsd >= 6.497751 and attr rmsd <= 6.617751 )                        
     (( attr rmsd >= 1.944234 and attr rmsd <= 2.024234 )                       
     and bondedto ( attr rmsd >= 31.57598 and attr rmsd <= 33.17598 ))
      4.2 4.2 1.8                                                               
      peak 1061 ppm1 6.557751 ppm2 1.984234 volume 2280000 weight 1.0           
REMARK dnoe: 3.818502 position 2.080608 6.571844                                
ASSI { 1062 }                                                                   
     ( attr rmsd >= 6.511844 and attr rmsd <= 6.631844 )                        
     (( attr rmsd >= 2.040608 and attr rmsd <= 2.120608 )                       
     and bondedto ( attr rmsd >= 31.42133 and attr rmsd <= 33.02133 ))
      4.2 4.2 1.8                                                               
      peak 1062 ppm1 6.571844 ppm2 2.080608 volume 2450000 weight 1.0           
REMARK dnoe: 2.775892 position 1.555238 4.965651                                
ASSI { 1063 }                                                                   
     ( attr rmsd >= 4.905651 and attr rmsd <= 5.025651 )                        
     (( attr rmsd >= 1.515238 and attr rmsd <= 1.595238 )                       
     and bondedto ( attr rmsd >= 31.46814 and attr rmsd <= 33.06814 ))
      3.0 3.0 0.5999999                                                         
      peak 1063 ppm1 4.965651 ppm2 1.555238 volume 16599999 weight 1.0          
REMARK dnoe: 2.612288 position 4.993414 1.176636                                
ASSI { 1064 }                                                                   
     ( attr rmsd >= 1.116636 and attr rmsd <= 1.236636 )                        
     (( attr rmsd >= 4.953414 and attr rmsd <= 5.033414 )                       
     and bondedto ( attr rmsd >= 58.88657 and attr rmsd <= 60.48657 ))
      3.0 3.0 0.5999999                                                         
      peak 1064 ppm1 1.176636 ppm2 4.993414 volume 23900000 weight 1.0          
REMARK dnoe: 2.986689 position 4.594715 3.798493                                
ASSI { 1065 }                                                                   
     ( attr rmsd >= 3.738493 and attr rmsd <= 3.858493 )                        
     (( attr rmsd >= 4.554715 and attr rmsd <= 4.634715 )                       
     and bondedto ( attr rmsd >= 58.99965 and attr rmsd <= 60.59965 ))
      3.0 3.0 0.5999999                                                         
      peak 1065 ppm1 3.798493 ppm2 4.594715 volume 10700000 weight 1.0          
REMARK dnoe: 2.494799 position 1.888469 4.500042                                
ASSI { 1066 }                                                                   
     ( attr rmsd >= 4.440042 and attr rmsd <= 4.560042 )                        
     (( attr rmsd >= 1.848469 and attr rmsd <= 1.928469 )                       
     and bondedto ( attr rmsd >= 31.30977 and attr rmsd <= 32.90977 ))
      2.5 2.5 0.2                                                               
      peak 1066 ppm1 4.500042 ppm2 1.888469 volume 31500000 weight 1.0          
REMARK dnoe: 2.801802 position 1.88256 4.339203                                 
ASSI { 1067 }                                                                   
     ( attr rmsd >= 4.279203 and attr rmsd <= 4.399203 )                        
     (( attr rmsd >= 1.84256 and attr rmsd <= 1.92256 )                         
     and bondedto ( attr rmsd >= 31.33252 and attr rmsd <= 32.93252 ))
      3.0 3.0 0.5999999                                                         
      peak 1067 ppm1 4.339203 ppm2 1.88256 volume 15700001 weight 1.0           
REMARK dnoe: 3.03437 position 2.219143 3.929384                                 
ASSI { 1068 }                                                                   
     ( attr rmsd >= 3.869384 and attr rmsd <= 3.989384 )                        
     (( attr rmsd >= 2.179143 and attr rmsd <= 2.259143 )                       
     and bondedto ( attr rmsd >= 31.37758 and attr rmsd <= 32.97758 ))
      3.6 3.6 1.4                                                               
      peak 1068 ppm1 3.929384 ppm2 2.219143 volume 9730000 weight 1.0           
REMARK dnoe: 2.615949 position 1.886523 3.920577                                
ASSI { 1069 }                                                                   
     ( attr rmsd >= 3.860577 and attr rmsd <= 3.980577 )                        
     (( attr rmsd >= 1.846523 and attr rmsd <= 1.926523 )                       
     and bondedto ( attr rmsd >= 31.30977 and attr rmsd <= 32.90977 ))
      3.0 3.0 0.5999999                                                         
      peak 1069 ppm1 3.920577 ppm2 1.886523 volume 23700000 weight 1.0          
REMARK dnoe: 2.517974 position 1.88453 3.670866                                 
ASSI { 1070 }                                                                   
     ( attr rmsd >= 3.610866 and attr rmsd <= 3.730866 )                        
     (( attr rmsd >= 1.84453 and attr rmsd <= 1.92453 )                         
     and bondedto ( attr rmsd >= 31.35723 and attr rmsd <= 32.95723 ))
      3.0 3.0 0.5999999                                                         
      peak 1070 ppm1 3.670866 ppm2 1.88453 volume 29800000 weight 1.0           
REMARK dnoe: 2.669218 position 1.88453 3.781758                                 
ASSI { 1071 }                                                                   
     ( attr rmsd >= 3.721758 and attr rmsd <= 3.841758 )                        
     (( attr rmsd >= 1.84453 and attr rmsd <= 1.92453 )                         
     and bondedto ( attr rmsd >= 31.40033 and attr rmsd <= 33.00033 ))
      3.0 3.0 0.5999999                                                         
      peak 1071 ppm1 3.781758 ppm2 1.88453 volume 21000000 weight 1.0           
REMARK dnoe: 3.429266 position 2.215204 4.103456                                
ASSI { 1072 }                                                                   
     ( attr rmsd >= 4.043456 and attr rmsd <= 4.163456 )                        
     (( attr rmsd >= 2.175204 and attr rmsd <= 2.255204 )                       
     and bondedto ( attr rmsd >= 31.35505 and attr rmsd <= 32.95505 ))
      3.6 3.6 1.4                                                               
      peak 1072 ppm1 4.103456 ppm2 2.215204 volume 4670000 weight 1.0           
REMARK dnoe: 3.104103 position 1.888469 4.088032                                
ASSI { 1073 }                                                                   
     ( attr rmsd >= 4.028032 and attr rmsd <= 4.148032 )                        
     (( attr rmsd >= 1.848469 and attr rmsd <= 1.928469 )                       
     and bondedto ( attr rmsd >= 31.26449 and attr rmsd <= 32.86449 ))
      3.6 3.6 1.4                                                               
      peak 1073 ppm1 4.088032 ppm2 1.888469 volume 8490000 weight 1.0           
REMARK dnoe: 2.396422 position 1.553832 1.902331                                
ASSI { 1075 }                                                                   
     ( attr rmsd >= 1.842331 and attr rmsd <= 1.962331 )                        
     (( attr rmsd >= 1.513832 and attr rmsd <= 1.593832 )                       
     and bondedto ( attr rmsd >= 31.40033 and attr rmsd <= 33.00033 ))
      2.5 2.5 0.2                                                               
      peak 1075 ppm1 1.902331 ppm2 1.553832 volume 40100000 weight 1.0          
REMARK dnoe: 1.893099 position 1.88453 2.229958                                 
ASSI { 1076 }                                                                   
     ( attr rmsd >= 2.169958 and attr rmsd <= 2.289958 )                        
     (( attr rmsd >= 1.84453 and attr rmsd <= 1.92453 )                         
     and bondedto ( attr rmsd >= 31.35789 and attr rmsd <= 32.95789 ))
      2.5 2.5 0.2                                                               
      peak 1076 ppm1 2.229958 ppm2 1.88453 volume 165000000 weight 1.0          
REMARK dnoe: 3.374894 position 2.219143 1.156528                                
ASSI { 1079 }                                                                   
     ( attr rmsd >= 1.096528 and attr rmsd <= 1.216528 )                        
     (( attr rmsd >= 2.179143 and attr rmsd <= 2.259143 )                       
     and bondedto ( attr rmsd >= 31.36905 and attr rmsd <= 32.96905 ))
      3.6 3.6 1.4                                                               
      peak 1079 ppm1 1.156528 ppm2 2.219143 volume 5140000 weight 1.0           
REMARK dnoe: 3.23066 position 1.890415 1.158354                                 
ASSI { 1080 }                                                                   
     ( attr rmsd >= 1.098354 and attr rmsd <= 1.218354 )                        
     (( attr rmsd >= 1.850415 and attr rmsd <= 1.930415 )                       
     and bondedto ( attr rmsd >= 31.38480 and attr rmsd <= 32.98480 ))
      3.6 3.6 1.4                                                               
      peak 1080 ppm1 1.158354 ppm2 1.890415 volume 6680000 weight 1.0           
REMARK dnoe: 2.673479 position 1.778869 3.706484                                
ASSI { 1081 }                                                                   
     ( attr rmsd >= 3.646484 and attr rmsd <= 3.766484 )                        
     (( attr rmsd >= 1.738869 and attr rmsd <= 1.818869 )                       
     and bondedto ( attr rmsd >= 31.40033 and attr rmsd <= 33.00033 ))
      3.0 3.0 0.5999999                                                         
      peak 1081 ppm1 3.706484 ppm2 1.778869 volume 20800000 weight 1.0          
REMARK dnoe: 2.632883 position 5.000331 9.446999                                
ASSI { 1082 }                                                                   
     ( attr rmsd >= 9.386998 and attr rmsd <= 9.506999 )                        
     (( attr rmsd >= 4.960331 and attr rmsd <= 5.040331 )                       
     and bondedto ( attr rmsd >= 58.90625 and attr rmsd <= 60.50625 ))
      3.0 3.0 0.5999999                                                         
      peak 1082 ppm1 9.446999 ppm2 5.000331 volume 22800000 weight 1.0          
REMARK dnoe: 2.813879 position 5.00195 6.891437                                 
ASSI { 1083 }                                                                   
     ( attr rmsd >= 6.831437 and attr rmsd <= 6.951437 )                        
     (( attr rmsd >= 4.96195 and attr rmsd <= 5.04195 )                         
     and bondedto ( attr rmsd >= 58.95087 and attr rmsd <= 60.55087 ))
      3.0 3.0 0.5999999                                                         
      peak 1083 ppm1 6.891437 ppm2 5.00195 volume 15300000 weight 1.0           
REMARK dnoe: 3.440407 position 4.986778 8.630776                                
ASSI { 1085 }                                                                   
     ( attr rmsd >= 8.570776 and attr rmsd <= 8.690777 )                        
     (( attr rmsd >= 4.946778 and attr rmsd <= 5.026778 )                       
     and bondedto ( attr rmsd >= 58.92856 and attr rmsd <= 60.52856 ))
      3.6 3.6 1.4                                                               
      peak 1085 ppm1 8.630776 ppm2 4.986778 volume 4580000 weight 1.0           
REMARK dnoe: 2.906424 position 4.999464 6.568857                                
ASSI { 1086 }                                                                   
     ( attr rmsd >= 6.508857 and attr rmsd <= 6.628857 )                        
     (( attr rmsd >= 4.959464 and attr rmsd <= 5.039464 )                       
     and bondedto ( attr rmsd >= 58.91457 and attr rmsd <= 60.51457 ))
      3.0 3.0 0.5999999                                                         
      peak 1086 ppm1 6.568857 ppm2 4.999464 volume 12600000 weight 1.0          
REMARK dnoe: 3.498812 position 4.587048 3.648202                                
ASSI { 1087 }                                                                   
     ( attr rmsd >= 3.588202 and attr rmsd <= 3.708202 )                        
     (( attr rmsd >= 4.547048 and attr rmsd <= 4.627048 )                       
     and bondedto ( attr rmsd >= 58.88371 and attr rmsd <= 60.48371 ))
      3.6 3.6 1.4                                                               
      peak 1087 ppm1 3.648202 ppm2 4.587048 volume 4140000 weight 1.0           
REMARK dnoe: 3.5131 position 4.586367 1.175647                                  
ASSI { 1088 }                                                                   
     ( attr rmsd >= 1.115647 and attr rmsd <= 1.235647 )                        
     (( attr rmsd >= 4.546367 and attr rmsd <= 4.626367 )                       
     and bondedto ( attr rmsd >= 58.90953 and attr rmsd <= 60.50953 ))
      3.6 3.6 1.4                                                               
      peak 1088 ppm1 1.175647 ppm2 4.586367 volume 0.404e+07 weight 1.0         
REMARK dnoe: 3.442917 position 5.001293 0.7495232                               
ASSI { 1089 }                                                                   
     ( attr rmsd >= 0.6895232 and attr rmsd <= 0.8095232 )                      
     (( attr rmsd >= 4.961293 and attr rmsd <= 5.041293 )                       
     and bondedto ( attr rmsd >= 58.95677 and attr rmsd <= 60.55677 ))
      3.6 3.6 1.4                                                               
      peak 1089 ppm1 0.7495232 ppm2 5.001293 volume 4560000 weight 1.0          
REMARK dnoe: 2.452542 position 1.719802 8.095072                                
ASSI { 1090 }                                                                   
     ( attr rmsd >= 8.035071 and attr rmsd <= 8.155072 )                        
     (( attr rmsd >= 1.679802 and attr rmsd <= 1.759802 )                       
     and bondedto ( attr rmsd >= 30.73535 and attr rmsd <= 32.33535 ))
      2.5 2.5 0.2                                                               
      peak 1090 ppm1 8.095072 ppm2 1.719802 volume 34900000 weight 1.0          
REMARK dnoe: 2.829504 position 2.966433 7.645983                                
ASSI { 1091 }                                                                   
     ( attr rmsd >= 7.585983 and attr rmsd <= 7.705983 )                        
     (( attr rmsd >= 2.926433 and attr rmsd <= 3.006433 )                       
     and bondedto ( attr rmsd >= 30.56320 and attr rmsd <= 32.16320 ))
      3.0 3.0 0.5999999                                                         
      peak 1091 ppm1 7.645983 ppm2 2.966433 volume 14800000 weight 1.0          
REMARK dnoe: 2.946757 position 1.79587 5.022686                                 
ASSI { 1092 }                                                                   
     ( attr rmsd >= 4.962686 and attr rmsd <= 5.082686 )                        
     (( attr rmsd >= 1.75587 and attr rmsd <= 1.83587 )                         
     and bondedto ( attr rmsd >= 30.65682 and attr rmsd <= 32.25682 ))
      3.0 3.0 0.5999999                                                         
      peak 1092 ppm1 5.022686 ppm2 1.79587 volume 11600000 weight 1.0           
REMARK dnoe: 2.175714 position 2.264329 4.31437                                 
ASSI { 1093 }                                                                   
     ( attr rmsd >= 4.25437 and attr rmsd <= 4.37437 )                          
     (( attr rmsd >= 2.224329 and attr rmsd <= 2.304329 )                       
     and bondedto ( attr rmsd >= 30.74432 and attr rmsd <= 32.34432 ))
      2.5 2.5 0.2                                                               
      peak 1093 ppm1 4.31437 ppm2 2.264329 volume 71600000 weight 1.0           
REMARK dnoe: 1.833365 position 2.956091 4.509817                                
ASSI { 1094 }                                                                   
     ( attr rmsd >= 4.449817 and attr rmsd <= 4.569817 )                        
     (( attr rmsd >= 2.916091 and attr rmsd <= 2.996091 )                       
     and bondedto ( attr rmsd >= 30.22393 and attr rmsd <= 31.82393 ))
      2.5 2.5 0.2                                                               
      peak 1094 ppm1 4.509817 ppm2 2.956091 volume 200000000 weight 1.0         
REMARK dnoe: 2.52942 position 1.770685 4.141287                                 
ASSI { 1095 }                                                                   
     ( attr rmsd >= 4.081287 and attr rmsd <= 4.201287 )                        
     (( attr rmsd >= 1.730685 and attr rmsd <= 1.810685 )                       
     and bondedto ( attr rmsd >= 30.38230 and attr rmsd <= 31.98230 ))
      3.0 3.0 0.5999999                                                         
      peak 1095 ppm1 4.141287 ppm2 1.770685 volume 29000000 weight 1.0          
REMARK dnoe: 2.731149 position 1.710235 4.024552                                
ASSI { 1096 }                                                                   
     ( attr rmsd >= 3.964552 and attr rmsd <= 4.084552 )                        
     (( attr rmsd >= 1.670235 and attr rmsd <= 1.750235 )                       
     and bondedto ( attr rmsd >= 30.72988 and attr rmsd <= 32.32988 ))
      3.0 3.0 0.5999999                                                         
      peak 1096 ppm1 4.024552 ppm2 1.710235 volume 18300000 weight 1.0          
REMARK dnoe: 2.792977 position 1.581759 3.971533                                
ASSI { 1097 }                                                                   
     ( attr rmsd >= 3.911533 and attr rmsd <= 4.031533 )                        
     (( attr rmsd >= 1.541759 and attr rmsd <= 1.621759 )                       
     and bondedto ( attr rmsd >= 30.47286 and attr rmsd <= 32.07286 ))
      3.0 3.0 0.5999999                                                         
      peak 1097 ppm1 3.971533 ppm2 1.581759 volume 16000000 weight 1.0          
REMARK dnoe: 3.039073 position 1.584268 3.799567                                
ASSI { 1098 }                                                                   
     ( attr rmsd >= 3.739567 and attr rmsd <= 3.859567 )                        
     (( attr rmsd >= 1.544268 and attr rmsd <= 1.624268 )                       
     and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
      3.6 3.6 1.4                                                               
      peak 1098 ppm1 3.799567 ppm2 1.584268 volume 9640000 weight 1.0           
REMARK dnoe: 2.842455 position 1.725336 3.830437                                
ASSI { 1099 }                                                                   
     ( attr rmsd >= 3.770437 and attr rmsd <= 3.890437 )                        
     (( attr rmsd >= 1.685336 and attr rmsd <= 1.765336 )                       
     and bondedto ( attr rmsd >= 30.76685 and attr rmsd <= 32.36685 ))
      3.0 3.0 0.5999999                                                         
      peak 1099 ppm1 3.830437 ppm2 1.725336 volume 14399999 weight 1.0          
REMARK dnoe: 2.778689 position 1.934405 3.971533                                
ASSI { 1100 }                                                                   
     ( attr rmsd >= 3.911533 and attr rmsd <= 4.031533 )                        
     (( attr rmsd >= 1.894405 and attr rmsd <= 1.974405 )                       
     and bondedto ( attr rmsd >= 30.54067 and attr rmsd <= 32.14067 ))
      3.0 3.0 0.5999999                                                         
      peak 1100 ppm1 3.971533 ppm2 1.934405 volume 16500001 weight 1.0          
REMARK dnoe: 2.959654 position 1.725336 5.022686                                
ASSI { 1101 }                                                                   
     ( attr rmsd >= 4.962686 and attr rmsd <= 5.082686 )                        
     (( attr rmsd >= 1.685336 and attr rmsd <= 1.765336 )                       
     and bondedto ( attr rmsd >= 30.66885 and attr rmsd <= 32.26885 ))
      3.0 3.0 0.5999999                                                         
      peak 1101 ppm1 5.022686 ppm2 1.725336 volume 11300000 weight 1.0          
REMARK dnoe: 2.813879 position 1.927629 3.801178                                
ASSI { 1102 }                                                                   
     ( attr rmsd >= 3.741178 and attr rmsd <= 3.861178 )                        
     (( attr rmsd >= 1.887629 and attr rmsd <= 1.967629 )                       
     and bondedto ( attr rmsd >= 30.74432 and attr rmsd <= 32.34432 ))
      3.0 3.0 0.5999999                                                         
      peak 1102 ppm1 3.801178 ppm2 1.927629 volume 15300000 weight 1.0          
REMARK dnoe: 2.986689 position 2.967206 2.210624                                
ASSI { 1103 }                                                                   
     ( attr rmsd >= 2.150624 and attr rmsd <= 2.270624 )                        
     (( attr rmsd >= 2.927206 and attr rmsd <= 3.007206 )                       
     and bondedto ( attr rmsd >= 30.56320 and attr rmsd <= 32.16320 ))
      3.0 3.0 0.5999999                                                         
      peak 1103 ppm1 2.210624 ppm2 2.967206 volume 10700000 weight 1.0          
REMARK dnoe: 3.131757 position 2.967206 1.827014                                
ASSI { 1104 }                                                                   
     ( attr rmsd >= 1.767014 and attr rmsd <= 1.887014 )                        
     (( attr rmsd >= 2.927206 and attr rmsd <= 3.007206 )                       
     and bondedto ( attr rmsd >= 30.72157 and attr rmsd <= 32.32157 ))
      3.6 3.6 1.4                                                               
      peak 1104 ppm1 1.827014 ppm2 2.967206 volume 8050000 weight 1.0           
REMARK dnoe: 2.982062 position 2.967206 0.696054                                
ASSI { 1105 }                                                                   
     ( attr rmsd >= 0.636054 and attr rmsd <= 0.756054 )                        
     (( attr rmsd >= 2.927206 and attr rmsd <= 3.007206 )                       
     and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
      3.0 3.0 0.5999999                                                         
      peak 1105 ppm1 0.696054 ppm2 2.967206 volume 10800000 weight 1.0          
REMARK dnoe: 2.076645 position 2.2644 0.7713282                                 
ASSI { 1106 }                                                                   
     ( attr rmsd >= 0.7113282 and attr rmsd <= 0.8313282 )                      
     (( attr rmsd >= 2.2244 and attr rmsd <= 2.3044 )                           
     and bondedto ( attr rmsd >= 30.71194 and attr rmsd <= 32.31194 ))
      2.5 2.5 0.2                                                               
      peak 1106 ppm1 0.7713282 ppm2 2.2644 volume 94700000 weight 1.0           
REMARK dnoe: 2.037994 position 1.722827 0.7689862                               
ASSI { 1107 }                                                                   
     ( attr rmsd >= 0.7089862 and attr rmsd <= 0.8289862 )                      
     (( attr rmsd >= 1.682827 and attr rmsd <= 1.762827 )                       
     and bondedto ( attr rmsd >= 30.75197 and attr rmsd <= 32.35197 ))
      2.5 2.5 0.2                                                               
      peak 1107 ppm1 0.7689862 ppm2 1.722827 volume 106000000 weight 1.0        
REMARK dnoe: 2.691012 position 1.717786 1.20873                                 
ASSI { 1108 }                                                                   
     ( attr rmsd >= 1.14873 and attr rmsd <= 1.26873 )                          
     (( attr rmsd >= 1.677786 and attr rmsd <= 1.757786 )                       
     and bondedto ( attr rmsd >= 30.72244 and attr rmsd <= 32.32244 ))
      3.0 3.0 0.5999999                                                         
      peak 1108 ppm1 1.20873 ppm2 1.717786 volume 20000000 weight 1.0           
REMARK dnoe: 2.162333 position 1.931896 1.577904                                
ASSI { 1109 }                                                                   
     ( attr rmsd >= 1.517904 and attr rmsd <= 1.637904 )                        
     (( attr rmsd >= 1.891896 and attr rmsd <= 1.971896 )                       
     and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
      2.5 2.5 0.2                                                               
      peak 1109 ppm1 1.577904 ppm2 1.931896 volume 74300000 weight 1.0          
REMARK dnoe: 2.21506 position 1.584268 1.915199                                 
ASSI { 1110 }                                                                   
     ( attr rmsd >= 1.855199 and attr rmsd <= 1.975199 )                        
     (( attr rmsd >= 1.544268 and attr rmsd <= 1.624268 )                       
     and bondedto ( attr rmsd >= 30.51792 and attr rmsd <= 32.11792 ))
      2.5 2.5 0.2                                                               
      peak 1110 ppm1 1.915199 ppm2 1.584268 volume 64300000 weight 1.0          
REMARK dnoe: 2.711742 position 1.584268 2.13346                                 
ASSI { 1111 }                                                                   
     ( attr rmsd >= 2.07346 and attr rmsd <= 2.19346 )                          
     (( attr rmsd >= 1.544268 and attr rmsd <= 1.624268 )                       
     and bondedto ( attr rmsd >= 30.56320 and attr rmsd <= 32.16320 ))
      3.0 3.0 0.5999999                                                         
      peak 1111 ppm1 2.13346 ppm2 1.584268 volume 19100000 weight 1.0           
REMARK dnoe: 2.123647 position 1.916772 2.135651                                
ASSI { 1112 }                                                                   
     ( attr rmsd >= 2.075651 and attr rmsd <= 2.195651 )                        
     (( attr rmsd >= 1.876772 and attr rmsd <= 1.956772 )                       
     and bondedto ( attr rmsd >= 30.60848 and attr rmsd <= 32.20848 ))
      2.5 2.5 0.2                                                               
      peak 1112 ppm1 2.135651 ppm2 1.916772 volume 82800000 weight 1.0          
REMARK dnoe: 2.665005 position 1.725336 2.188562                                
ASSI { 1113 }                                                                   
     ( attr rmsd >= 2.128562 and attr rmsd <= 2.248562 )                        
     (( attr rmsd >= 1.685336 and attr rmsd <= 1.765336 )                       
     and bondedto ( attr rmsd >= 30.51792 and attr rmsd <= 32.11792 ))
      3.0 3.0 0.5999999                                                         
      peak 1113 ppm1 2.188562 ppm2 1.725336 volume 21200000 weight 1.0          
REMARK dnoe: 2.328911 position 1.722827 2.047466                                
ASSI { 1114 }                                                                   
     ( attr rmsd >= 1.987466 and attr rmsd <= 2.107466 )                        
     (( attr rmsd >= 1.682827 and attr rmsd <= 1.762827 )                       
     and bondedto ( attr rmsd >= 30.58595 and attr rmsd <= 32.18595 ))
      2.5 2.5 0.2                                                               
      peak 1114 ppm1 2.047466 ppm2 1.722827 volume 47600000 weight 1.0          
REMARK dnoe: 3.410066 position 1.937266 0.1058903                               
ASSI { 1115 }                                                                   
     ( attr rmsd >= 0.0458903 and attr rmsd <= 0.1658903 )                      
     (( attr rmsd >= 1.897266 and attr rmsd <= 1.977266 )                       
     and bondedto ( attr rmsd >= 30.65376 and attr rmsd <= 32.25376 ))
      3.6 3.6 1.4                                                               
      peak 1115 ppm1 0.1058903 ppm2 1.937266 volume 4830000 weight 1.0          
REMARK dnoe: 3.644712 position 1.57925 0.1058903                                
ASSI { 1116 }                                                                   
     ( attr rmsd >= 0.0458903 and attr rmsd <= 0.1658903 )                      
     (( attr rmsd >= 1.53925 and attr rmsd <= 1.61925 )                         
     and bondedto ( attr rmsd >= 30.61416 and attr rmsd <= 32.21416 ))
      4.2 4.2 1.8                                                               
      peak 1116 ppm1 0.1058903 ppm2 1.57925 volume 3240000 weight 1.0           
REMARK dnoe: 3.555408 position 1.93539 8.928308                                 
ASSI { 1117 }                                                                   
     ( attr rmsd >= 8.868307 and attr rmsd <= 8.988308 )                        
     (( attr rmsd >= 1.89539 and attr rmsd <= 1.97539 )                         
     and bondedto ( attr rmsd >= 30.54395 and attr rmsd <= 32.14395 ))
      3.6 3.6 1.4                                                               
      peak 1117 ppm1 8.928308 ppm2 1.93539 volume 0.376e+07 weight 1.0          
REMARK dnoe: 2.810826 position 1.776595 8.269379                                
ASSI { 1118 }                                                                   
     ( attr rmsd >= 8.209378 and attr rmsd <= 8.329379 )                        
     (( attr rmsd >= 1.736595 and attr rmsd <= 1.816595 )                       
     and bondedto ( attr rmsd >= 30.32148 and attr rmsd <= 31.92148 ))
      3.0 3.0 0.5999999                                                         
      peak 1118 ppm1 8.269379 ppm2 1.776595 volume 15400000 weight 1.0          
REMARK dnoe: 2.946757 position 1.658108 8.269379                                
ASSI { 1119 }                                                                   
     ( attr rmsd >= 8.209378 and attr rmsd <= 8.329379 )                        
     (( attr rmsd >= 1.618108 and attr rmsd <= 1.698108 )                       
     and bondedto ( attr rmsd >= 30.43283 and attr rmsd <= 32.03283 ))
      3.0 3.0 0.5999999                                                         
      peak 1119 ppm1 8.269379 ppm2 1.658108 volume 11600000 weight 1.0          
REMARK dnoe: 2.502808 position 2.916604 6.794744                                
ASSI { 1121 }                                                                   
     ( attr rmsd >= 6.734744 and attr rmsd <= 6.854744 )                        
     (( attr rmsd >= 2.876604 and attr rmsd <= 2.956604 )                       
     and bondedto ( attr rmsd >= 30.23246 and attr rmsd <= 31.83246 ))
      3.0 3.0 0.5999999                                                         
      peak 1121 ppm1 6.794744 ppm2 2.916604 volume 30899998 weight 1.0          
REMARK dnoe: 2.556579 position 3.006647 6.851544                                
ASSI { 1122 }                                                                   
     ( attr rmsd >= 6.791544 and attr rmsd <= 6.911544 )                        
     (( attr rmsd >= 2.966647 and attr rmsd <= 3.046647 )                       
     and bondedto ( attr rmsd >= 30.34380 and attr rmsd <= 31.94380 ))
      3.0 3.0 0.5999999                                                         
      peak 1122 ppm1 6.851544 ppm2 3.006647 volume 27200002 weight 1.0          
REMARK dnoe: 2.582541 position 1.65574 4.143113                                 
ASSI { 1123 }                                                                   
     ( attr rmsd >= 4.083113 and attr rmsd <= 4.203113 )                        
     (( attr rmsd >= 1.61574 and attr rmsd <= 1.69574 )                         
     and bondedto ( attr rmsd >= 30.36589 and attr rmsd <= 31.96589 ))
      3.0 3.0 0.5999999                                                         
      peak 1123 ppm1 4.143113 ppm2 1.65574 volume 25600002 weight 1.0           
REMARK dnoe: 3.069538 position 1.660477 3.154709                                
ASSI { 1124 }                                                                   
     ( attr rmsd >= 3.094709 and attr rmsd <= 3.214709 )                        
     (( attr rmsd >= 1.620477 and attr rmsd <= 1.700477 )                       
     and bondedto ( attr rmsd >= 30.38820 and attr rmsd <= 31.98820 ))
      3.6 3.6 1.4                                                               
      peak 1124 ppm1 3.154709 ppm2 1.660477 volume 9080000 weight 1.0           
REMARK dnoe: 3.154362 position 1.778963 3.154709                                
ASSI { 1125 }                                                                   
     ( attr rmsd >= 3.094709 and attr rmsd <= 3.214709 )                        
     (( attr rmsd >= 1.738963 and attr rmsd <= 1.818963 )                       
     and bondedto ( attr rmsd >= 30.36589 and attr rmsd <= 31.96589 ))
      3.6 3.6 1.4                                                               
      peak 1125 ppm1 3.154709 ppm2 1.778963 volume 7710001 weight 1.0           
REMARK dnoe: 2.862689 position 1.994645 2.516232                                
ASSI { 1126 }                                                                   
     ( attr rmsd >= 2.456232 and attr rmsd <= 2.576232 )                        
     (( attr rmsd >= 1.954645 and attr rmsd <= 2.034645 )                       
     and bondedto ( attr rmsd >= 30.61088 and attr rmsd <= 32.21088 ))
      3.0 3.0 0.5999999                                                         
      peak 1126 ppm1 2.516232 ppm2 1.994645 volume 13800000 weight 1.0          
REMARK dnoe: 3.283537 position 4.326953 8.544805                                
ASSI { 1127 }                                                                   
     ( attr rmsd >= 8.484804 and attr rmsd <= 8.604805 )                        
     (( attr rmsd >= 4.286953 and attr rmsd <= 4.366953 )                       
     and bondedto ( attr rmsd >= 58.28392 and attr rmsd <= 59.88392 ))
      3.6 3.6 1.4                                                               
      peak 1127 ppm1 8.544805 ppm2 4.326953 volume 6060000 weight 1.0           
REMARK dnoe: 2.770357 position 4.326015 7.706993                                
ASSI { 1128 }                                                                   
     ( attr rmsd >= 7.646993 and attr rmsd <= 7.766993 )                        
     (( attr rmsd >= 4.286015 and attr rmsd <= 4.366015 )                       
     and bondedto ( attr rmsd >= 58.27998 and attr rmsd <= 59.87998 ))
      3.0 3.0 0.5999999                                                         
      peak 1128 ppm1 7.706993 ppm2 4.326015 volume 16800000 weight 1.0          
REMARK dnoe: 2.968476 position 4.350637 7.355327                                
ASSI { 1129 }                                                                   
     ( attr rmsd >= 7.295327 and attr rmsd <= 7.415327 )                        
     (( attr rmsd >= 4.310637 and attr rmsd <= 4.390637 )                       
     and bondedto ( attr rmsd >= 58.07961 and attr rmsd <= 59.67961 ))
      3.0 3.0 0.5999999                                                         
      peak 1129 ppm1 7.355327 ppm2 4.350637 volume 11100000 weight 1.0          
REMARK dnoe: 2.773115 position 4.350472 6.727977                                
ASSI { 1130 }                                                                   
     ( attr rmsd >= 6.667977 and attr rmsd <= 6.787977 )                        
     (( attr rmsd >= 4.310472 and attr rmsd <= 4.390472 )                       
     and bondedto ( attr rmsd >= 58.07961 and attr rmsd <= 59.67961 ))
      3.0 3.0 0.5999999                                                         
      peak 1130 ppm1 6.727977 ppm2 4.350472 volume 16700000 weight 1.0          
REMARK dnoe: 3.082692 position 4.345595 7.900205                                
ASSI { 1131 }                                                                   
     ( attr rmsd >= 7.840205 and attr rmsd <= 7.960205 )                        
     (( attr rmsd >= 4.305595 and attr rmsd <= 4.385595 )                       
     and bondedto ( attr rmsd >= 58.07961 and attr rmsd <= 59.67961 ))
      3.6 3.6 1.4                                                               
      peak 1131 ppm1 7.900205 ppm2 4.345595 volume 8850000 weight 1.0           
REMARK dnoe: 2.883976 position 4.558275 3.905346                                
ASSI { 1134 }                                                                   
     ( attr rmsd >= 3.845346 and attr rmsd <= 3.965346 )                        
     (( attr rmsd >= 4.518275 and attr rmsd <= 4.598275 )                       
     and bondedto ( attr rmsd >= 58.24520 and attr rmsd <= 59.84520 ))
      3.0 3.0 0.5999999                                                         
      peak 1134 ppm1 3.905346 ppm2 4.558275 volume 13200000 weight 1.0          
REMARK dnoe: 2.33384 position 4.327188 3.605345                                 
ASSI { 1135 }                                                                   
     ( attr rmsd >= 3.545345 and attr rmsd <= 3.665345 )                        
     (( attr rmsd >= 4.287188 and attr rmsd <= 4.367188 )                       
     and bondedto ( attr rmsd >= 58.27605 and attr rmsd <= 59.87605 ))
      2.5 2.5 0.2                                                               
      peak 1135 ppm1 3.605345 ppm2 4.327188 volume 47000000 weight 1.0          
REMARK dnoe: 2.673479 position 4.354177 2.500722                                
ASSI { 1136 }                                                                   
     ( attr rmsd >= 2.440722 and attr rmsd <= 2.560722 )                        
     (( attr rmsd >= 4.314177 and attr rmsd <= 4.394177 )                       
     and bondedto ( attr rmsd >= 58.30229 and attr rmsd <= 59.90229 ))
      3.0 3.0 0.5999999                                                         
      peak 1136 ppm1 2.500722 ppm2 4.354177 volume 20800000 weight 1.0          
REMARK dnoe: 3.104712 position 3.016753 7.944137                                
ASSI { 1137 }                                                                   
     ( attr rmsd >= 7.884137 and attr rmsd <= 8.004137 )                        
     (( attr rmsd >= 2.976753 and attr rmsd <= 3.056753 )                       
     and bondedto ( attr rmsd >= 30.32148 and attr rmsd <= 31.92148 ))
      3.6 3.6 1.4                                                               
      peak 1137 ppm1 7.944137 ppm2 3.016753 volume 8480000 weight 1.0           
REMARK dnoe: 2.714116 position 1.768599 8.093761                                
ASSI { 1138 }                                                                   
     ( attr rmsd >= 8.033761 and attr rmsd <= 8.153762 )                        
     (( attr rmsd >= 1.728599 and attr rmsd <= 1.808599 )                       
     and bondedto ( attr rmsd >= 30.35342 and attr rmsd <= 31.95342 ))
      3.0 3.0 0.5999999                                                         
      peak 1138 ppm1 8.093761 ppm2 1.768599 volume 19000000 weight 1.0          
REMARK dnoe: 2.669218 position 1.656655 8.073696                                
ASSI { 1139 }                                                                   
     ( attr rmsd >= 8.013696 and attr rmsd <= 8.133697 )                        
     (( attr rmsd >= 1.616655 and attr rmsd <= 1.696655 )                       
     and bondedto ( attr rmsd >= 30.29174 and attr rmsd <= 31.89174 ))
      3.0 3.0 0.5999999                                                         
      peak 1139 ppm1 8.073696 ppm2 1.656655 volume 21000000 weight 1.0          
REMARK dnoe: 2.942544 position 2.943921 6.932446                                
ASSI { 1140 }                                                                   
     ( attr rmsd >= 6.872446 and attr rmsd <= 6.992446 )                        
     (( attr rmsd >= 2.903921 and attr rmsd <= 2.983921 )                       
     and bondedto ( attr rmsd >= 29.94306 and attr rmsd <= 31.54306 ))
      3.0 3.0 0.5999999                                                         
      peak 1140 ppm1 6.932446 ppm2 2.943921 volume 11700000 weight 1.0          
REMARK dnoe: 2.054473 position 4.375937 3.819696                                
ASSI { 1141 }                                                                   
     ( attr rmsd >= 3.759696 and attr rmsd <= 3.879696 )                        
     (( attr rmsd >= 4.335937 and attr rmsd <= 4.415937 )                       
     and bondedto ( attr rmsd >= 57.65678 and attr rmsd <= 59.25678 ))
      2.5 2.5 0.2                                                               
      peak 1141 ppm1 3.819696 ppm2 4.375937 volume 101000000 weight 1.0         
REMARK dnoe: 1.952693 position 4.351528 3.751231                                
ASSI { 1142 }                                                                   
     ( attr rmsd >= 3.691231 and attr rmsd <= 3.811231 )                        
     (( attr rmsd >= 4.311528 and attr rmsd <= 4.391528 )                       
     and bondedto ( attr rmsd >= 57.52313 and attr rmsd <= 59.12313 ))
      2.5 2.5 0.2                                                               
      peak 1142 ppm1 3.751231 ppm2 4.351528 volume 137000000 weight 1.0         
REMARK dnoe: 3.320143 position 2.222309 8.440271                                
ASSI { 1143 }                                                                   
     ( attr rmsd >= 8.380271 and attr rmsd <= 8.500272 )                        
     (( attr rmsd >= 2.182309 and attr rmsd <= 2.262309 )                       
     and bondedto ( attr rmsd >= 29.58694 and attr rmsd <= 31.18694 ))
      3.6 3.6 1.4                                                               
      peak 1143 ppm1 8.440271 ppm2 2.222309 volume 0.567e+07 weight 1.0         
REMARK dnoe: 3.198745 position 1.843377 8.442827                                
ASSI { 1144 }                                                                   
     ( attr rmsd >= 8.382827 and attr rmsd <= 8.502828 )                        
     (( attr rmsd >= 1.803377 and attr rmsd <= 1.883377 )                       
     and bondedto ( attr rmsd >= 29.56879 and attr rmsd <= 31.16879 ))
      3.6 3.6 1.4                                                               
      peak 1144 ppm1 8.442827 ppm2 1.843377 volume 7090000 weight 1.0           
REMARK dnoe: 3.563349 position 3.185233 6.944841                                
ASSI { 1145 }                                                                   
     ( attr rmsd >= 6.884841 and attr rmsd <= 7.004841 )                        
     (( attr rmsd >= 3.145233 and attr rmsd <= 3.225233 )                       
     and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
      3.6 3.6 1.4                                                               
      peak 1145 ppm1 6.944841 ppm2 3.185233 volume 3710000 weight 1.0           
REMARK dnoe: 3.478119 position 2.939185 7.732041                                
ASSI { 1146 }                                                                   
     ( attr rmsd >= 7.672041 and attr rmsd <= 7.792041 )                        
     (( attr rmsd >= 2.899185 and attr rmsd <= 2.979185 )                       
     and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
      3.6 3.6 1.4                                                               
      peak 1146 ppm1 7.732041 ppm2 2.939185 volume 4290000 weight 1.0           
REMARK dnoe: 4.108133 position 3.195152 7.752428                                
ASSI { 1147 }                                                                   
     ( attr rmsd >= 7.692428 and attr rmsd <= 7.812428 )                        
     (( attr rmsd >= 3.155152 and attr rmsd <= 3.235152 )                       
     and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
      4.2 4.2 1.8                                                               
      peak 1147 ppm1 7.752428 ppm2 3.195152 volume 0.158e+07 weight 1.0         
REMARK dnoe: 3.105323 position 1.418884 4.981053                                
ASSI { 1148 }                                                                   
     ( attr rmsd >= 4.921053 and attr rmsd <= 5.041053 )                        
     (( attr rmsd >= 1.378884 and attr rmsd <= 1.458884 )                       
     and bondedto ( attr rmsd >= 29.61188 and attr rmsd <= 31.21188 ))
      3.6 3.6 1.4                                                               
      peak 1148 ppm1 4.981053 ppm2 1.418884 volume 8470000 weight 1.0           
REMARK dnoe: 3.010607 position 1.230778 4.981053                                
ASSI { 1149 }                                                                   
     ( attr rmsd >= 4.921053 and attr rmsd <= 5.041053 )                        
     (( attr rmsd >= 1.190778 and attr rmsd <= 1.270778 )                       
     and bondedto ( attr rmsd >= 29.62172 and attr rmsd <= 31.22172 ))
      3.6 3.6 1.4                                                               
      peak 1149 ppm1 4.981053 ppm2 1.230778 volume 10200000 weight 1.0          
REMARK dnoe: 2.991367 position 1.422214 4.080513                                
ASSI { 1150 }                                                                   
     ( attr rmsd >= 4.020513 and attr rmsd <= 4.140513 )                        
     (( attr rmsd >= 1.382214 and attr rmsd <= 1.462214 )                       
     and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
      3.0 3.0 0.5999999                                                         
      peak 1150 ppm1 4.080513 ppm2 1.422214 volume 10600000 weight 1.0          
REMARK dnoe: 3.112096 position 1.235233 4.078516                                
ASSI { 1151 }                                                                   
     ( attr rmsd >= 4.018516 and attr rmsd <= 4.138516 )                        
     (( attr rmsd >= 1.195233 and attr rmsd <= 1.275233 )                       
     and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
      3.6 3.6 1.4                                                               
      peak 1151 ppm1 4.078516 ppm2 1.235233 volume 8360001 weight 1.0           
REMARK dnoe: 3.329009 position 1.422214 3.884852                                
ASSI { 1153 }                                                                   
     ( attr rmsd >= 3.363583 and attr rmsd <= 3.483583 )                        
     (( attr rmsd >= 1.370395 and attr rmsd <= 1.450395 )                       
     and bondedto ( attr rmsd >= 29.63135 and attr rmsd <= 31.23135 ))
      3.6 3.6 1.4                                                               
      peak 1153 ppm1 3.423583 ppm2 1.410395 volume 4900000 weight 1.0           
REMARK dnoe: 3.373801 position 1.237578 3.415613                                
ASSI { 1154 }                                                                   
     ( attr rmsd >= 3.355613 and attr rmsd <= 3.475613 )                        
     (( attr rmsd >= 1.197578 and attr rmsd <= 1.277578 )                       
     and bondedto ( attr rmsd >= 29.65366 and attr rmsd <= 31.25366 ))
      3.6 3.6 1.4                                                               
      peak 1154 ppm1 3.415613 ppm2 1.237578 volume 5150000 weight 1.0           
REMARK dnoe: 2.103794 position 3.180941 2.920402                                
ASSI { 1155 }                                                                   
     ( attr rmsd >= 2.860402 and attr rmsd <= 2.980402 )                        
     (( attr rmsd >= 3.140941 and attr rmsd <= 3.220941 )                       
     and bondedto ( attr rmsd >= 29.67729 and attr rmsd <= 31.27729 ))
      2.5 2.5 0.2                                                               
      peak 1155 ppm1 2.920402 ppm2 3.180941 volume 87600000 weight 1.0          
REMARK dnoe: 2.610471 position 2.21994 4.571729                                 
ASSI { 1156 }                                                                   
     ( attr rmsd >= 4.511729 and attr rmsd <= 4.631729 )                        
     (( attr rmsd >= 2.17994 and attr rmsd <= 2.25994 )                         
     and bondedto ( attr rmsd >= 29.52001 and attr rmsd <= 31.12001 ))
      3.0 3.0 0.5999999                                                         
      peak 1156 ppm1 4.571729 ppm2 2.21994 volume 24000000 weight 1.0           
REMARK dnoe: 2.686553 position 1.845933 4.573727                                
ASSI { 1157 }                                                                   
     ( attr rmsd >= 4.513727 and attr rmsd <= 4.633727 )                        
     (( attr rmsd >= 1.805933 and attr rmsd <= 1.885933 )                       
     and bondedto ( attr rmsd >= 29.52001 and attr rmsd <= 31.12001 ))
      3.0 3.0 0.5999999                                                         
      peak 1157 ppm1 4.573727 ppm2 1.845933 volume 20200000 weight 1.0          
REMARK dnoe: 2.314548 position 3.183357 4.571729                                
ASSI { 1158 }                                                                   
     ( attr rmsd >= 4.511729 and attr rmsd <= 4.631729 )                        
     (( attr rmsd >= 3.143357 and attr rmsd <= 3.223357 )                       
     and bondedto ( attr rmsd >= 29.67597 and attr rmsd <= 31.27597 ))
      2.5 2.5 0.2                                                               
      peak 1158 ppm1 4.571729 ppm2 3.183357 volume 49400000 weight 1.0          
REMARK dnoe: 1.927719 position 2.937191 4.549752                                
ASSI { 1159 }                                                                   
     ( attr rmsd >= 4.489752 and attr rmsd <= 4.609752 )                        
     (( attr rmsd >= 2.897191 and attr rmsd <= 2.977191 )                       
     and bondedto ( attr rmsd >= 29.74269 and attr rmsd <= 31.34269 ))
      2.5 2.5 0.2                                                               
      peak 1159 ppm1 4.549752 ppm2 2.937191 volume 148000000 weight 1.0         
REMARK dnoe: 2.051102 position 3.011993 4.529795                                
ASSI { 1160 }                                                                   
     ( attr rmsd >= 4.469795 and attr rmsd <= 4.589795 )                        
     (( attr rmsd >= 2.971993 and attr rmsd <= 3.051993 )                       
     and bondedto ( attr rmsd >= 30.18827 and attr rmsd <= 31.78827 ))
      2.5 2.5 0.2                                                               
      peak 1160 ppm1 4.529795 ppm2 3.011993 volume 102000000 weight 1.0         
REMARK dnoe: 1.727268 position 2.946642 3.174001                                
ASSI { 1161 }                                                                   
     ( attr rmsd >= 3.114001 and attr rmsd <= 3.234001 )                        
     (( attr rmsd >= 2.906642 and attr rmsd <= 2.986642 )                       
     and bondedto ( attr rmsd >= 29.92075 and attr rmsd <= 31.52075 ))
      2.5 2.5 0.2                                                               
      peak 1161 ppm1 3.174001 ppm2 2.946642 volume 286000000 weight 1.0         
REMARK dnoe: 2.489558 position 2.216681 1.844157                                
ASSI { 1162 }                                                                   
     ( attr rmsd >= 1.784157 and attr rmsd <= 1.904157 )                        
     (( attr rmsd >= 2.176681 and attr rmsd <= 2.256681 )                       
     and bondedto ( attr rmsd >= 29.47298 and attr rmsd <= 31.07298 ))
      2.5 2.5 0.2                                                               
      peak 1162 ppm1 1.844157 ppm2 2.216681 volume 31900000 weight 1.0          
REMARK dnoe: 2.134526 position 1.84265 2.20955                                  
ASSI { 1163 }                                                                   
     ( attr rmsd >= 2.14955 and attr rmsd <= 2.26955 )                          
     (( attr rmsd >= 1.80265 and attr rmsd <= 1.88265 )                         
     and bondedto ( attr rmsd >= 29.46554 and attr rmsd <= 31.06554 ))
      2.5 2.5 0.2                                                               
      peak 1163 ppm1 2.20955 ppm2 1.84265 volume 80300000 weight 1.0            
REMARK dnoe: 2.427681 position 1.401578 1.243124                                
ASSI { 1164 }                                                                   
     ( attr rmsd >= 1.183124 and attr rmsd <= 1.303124 )                        
     (( attr rmsd >= 1.361578 and attr rmsd <= 1.441578 )                       
     and bondedto ( attr rmsd >= 29.59569 and attr rmsd <= 31.19569 ))
      2.5 2.5 0.2                                                               
      peak 1164 ppm1 1.243124 ppm2 1.401578 volume 37100000 weight 1.0          
REMARK dnoe: 2.731149 position 1.232959 1.394875                                
ASSI { 1165 }                                                                   
     ( attr rmsd >= 1.334875 and attr rmsd <= 1.454875 )                        
     (( attr rmsd >= 1.192959 and attr rmsd <= 1.272959 )                       
     and bondedto ( attr rmsd >= 29.61232 and attr rmsd <= 31.21232 ))
      3.0 3.0 0.5999999                                                         
      peak 1165 ppm1 1.394875 ppm2 1.232959 volume 18300000 weight 1.0          
REMARK dnoe: 1.493635 position 1.682612 1.800225                                
ASSI { 1166 }                                                                   
     ( attr rmsd >= 1.740225 and attr rmsd <= 1.860225 )                        
     (( attr rmsd >= 1.642612 and attr rmsd <= 1.722612 )                       
     and bondedto ( attr rmsd >= 30.09880 and attr rmsd <= 31.69880 ))
      2.5 2.5 0.2                                                               
      peak 1166 ppm1 1.800225 ppm2 1.682612 volume 684000000 weight 1.0         
REMARK dnoe: 2.669218 position 1.412764 0.7758825                               
ASSI { 1169 }                                                                   
     ( attr rmsd >= 1.854039 and attr rmsd <= 1.974039 )                        
     (( attr rmsd >= 1.36376 and attr rmsd <= 1.44376 )                         
     and bondedto ( attr rmsd >= 29.60794 and attr rmsd <= 31.20794 ))
      3.6 3.6 1.4                                                               
      peak 1169 ppm1 1.914039 ppm2 1.40376 volume 9720000 weight 1.0            
REMARK dnoe: 3.339058 position 1.239431 1.89608                                 
ASSI { 1170 }                                                                   
     ( attr rmsd >= 1.83608 and attr rmsd <= 1.95608 )                          
     (( attr rmsd >= 1.199431 and attr rmsd <= 1.279431 )                       
     and bondedto ( attr rmsd >= 29.63638 and attr rmsd <= 31.23638 ))
      3.6 3.6 1.4                                                               
      peak 1170 ppm1 1.89608 ppm2 1.239431 volume 5480000 weight 1.0            
REMARK dnoe: 2.762197 position 6.595692 8.775461                                
ASSI { 1171 }                                                                   
     ( attr rmsd >= 8.715461 and attr rmsd <= 8.835462 )                        
     (( attr rmsd >= 6.555692 and attr rmsd <= 6.635692 )                       
     and bondedto ( attr rmsd >= 56.89752 and attr rmsd <= 58.49752 ))
      3.0 3.0 0.5999999                                                         
      peak 1171 ppm1 8.775461 ppm2 6.595692 volume 17100000 weight 1.0          
REMARK dnoe: 2.638701 position 4.424477 8.958791                                
ASSI { 1172 }                                                                   
     ( attr rmsd >= 8.89879 and attr rmsd <= 9.018791 )                         
     (( attr rmsd >= 4.384477 and attr rmsd <= 4.464477 )                       
     and bondedto ( attr rmsd >= 56.79340 and attr rmsd <= 58.39340 ))
      3.0 3.0 0.5999999                                                         
      peak 1172 ppm1 8.958791 ppm2 4.424477 volume 22500000 weight 1.0          
REMARK dnoe: 2.596243 position 4.42253 9.029447                                 
ASSI { 1173 }                                                                   
     ( attr rmsd >= 8.969446 and attr rmsd <= 9.089447 )                        
     (( attr rmsd >= 4.38253 and attr rmsd <= 4.46253 )                         
     and bondedto ( attr rmsd >= 56.88419 and attr rmsd <= 58.48419 ))
      3.0 3.0 0.5999999                                                         
      peak 1173 ppm1 9.029447 ppm2 4.42253 volume 24800000 weight 1.0           
REMARK dnoe: 2.842455 position 4.408837 8.031311                                
ASSI { 1174 }                                                                   
     ( attr rmsd >= 7.971311 and attr rmsd <= 8.091311 )                        
     (( attr rmsd >= 4.368837 and attr rmsd <= 4.448837 )                       
     and bondedto ( attr rmsd >= 56.86143 and attr rmsd <= 58.46143 ))
      3.0 3.0 0.5999999                                                         
      peak 1174 ppm1 8.031311 ppm2 4.408837 volume 14399999 weight 1.0          
REMARK dnoe: 2.667106 position 4.359993 7.883363                                
ASSI { 1175 }                                                                   
     ( attr rmsd >= 7.823363 and attr rmsd <= 7.943363 )                        
     (( attr rmsd >= 4.319993 and attr rmsd <= 4.399993 )                       
     and bondedto ( attr rmsd >= 56.70284 and attr rmsd <= 58.30284 ))
      3.0 3.0 0.5999999                                                         
      peak 1175 ppm1 7.883363 ppm2 4.359993 volume 21100000 weight 1.0          
REMARK dnoe: 3.661865 position 4.274006 8.999134                                
ASSI { 1176 }                                                                   
     ( attr rmsd >= 8.939134 and attr rmsd <= 9.059134 )                        
     (( attr rmsd >= 4.234006 and attr rmsd <= 4.314006 )                       
     and bondedto ( attr rmsd >= 57.01849 and attr rmsd <= 58.61849 ))
      4.2 4.2 1.8                                                               
      peak 1176 ppm1 8.999134 ppm2 4.274006 volume 3150000 weight 1.0           
REMARK dnoe: 2.541241 position 4.092278 8.426587                                
ASSI { 1177 }                                                                   
     ( attr rmsd >= 8.366587 and attr rmsd <= 8.486588 )                        
     (( attr rmsd >= 4.052278 and attr rmsd <= 4.132278 )                       
     and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
      3.0 3.0 0.5999999                                                         
      peak 1177 ppm1 8.426587 ppm2 4.092278 volume 28200000 weight 1.0          
REMARK dnoe: 2.91812 position 4.092278 8.278638                                 
ASSI { 1178 }                                                                   
     ( attr rmsd >= 8.218637 and attr rmsd <= 8.338638 )                        
     (( attr rmsd >= 4.052278 and attr rmsd <= 4.132278 )                       
     and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
      3.0 3.0 0.5999999                                                         
      peak 1178 ppm1 8.278638 ppm2 4.092278 volume 12300000 weight 1.0          
REMARK dnoe: 3.197994 position 3.82848 9.024399                                 
ASSI { 1179 }                                                                   
     ( attr rmsd >= 8.964398 and attr rmsd <= 9.084399 )                        
     (( attr rmsd >= 3.78848 and attr rmsd <= 3.86848 )                         
     and bondedto ( attr rmsd >= 57.06661 and attr rmsd <= 58.66661 ))
      3.6 3.6 1.4                                                               
      peak 1179 ppm1 9.024399 ppm2 3.82848 volume 7100000 weight 1.0            
REMARK dnoe: 2.977485 position 3.82848 8.74285                                  
ASSI { 1180 }                                                                   
     ( attr rmsd >= 8.68285 and attr rmsd <= 8.802851 )                         
     (( attr rmsd >= 3.78848 and attr rmsd <= 3.86848 )                         
     and bondedto ( attr rmsd >= 57.06421 and attr rmsd <= 58.66421 ))
      3.0 3.0 0.5999999                                                         
      peak 1180 ppm1 8.74285 ppm2 3.82848 volume 10900000 weight 1.0            
REMARK dnoe: 3.000879 position 3.82848 8.937781                                 
ASSI { 1181 }                                                                   
     ( attr rmsd >= 8.877781 and attr rmsd <= 8.997782 )                        
     (( attr rmsd >= 3.78848 and attr rmsd <= 3.86848 )                         
     and bondedto ( attr rmsd >= 57.06661 and attr rmsd <= 58.66661 ))
      3.6 3.6 1.4                                                               
      peak 1181 ppm1 8.937781 ppm2 3.82848 volume 10400000 weight 1.0           
REMARK dnoe: 3.335013 position 6.597404 9.235569                                
ASSI { 1182 }                                                                   
     ( attr rmsd >= 9.175569 and attr rmsd <= 9.295569 )                        
     (( attr rmsd >= 6.557404 and attr rmsd <= 6.637404 )                       
     and bondedto ( attr rmsd >= 57.06530 and attr rmsd <= 58.66530 ))
      3.6 3.6 1.4                                                               
      peak 1182 ppm1 9.235569 ppm2 6.597404 volume 5520000 weight 1.0           
REMARK dnoe: 3.415986 position 6.597404 9.076751                                
ASSI { 1183 }                                                                   
     ( attr rmsd >= 9.01675 and attr rmsd <= 9.136751 )                         
     (( attr rmsd >= 6.557404 and attr rmsd <= 6.637404 )                       
     and bondedto ( attr rmsd >= 56.81615 and attr rmsd <= 58.41615 ))
      3.6 3.6 1.4                                                               
      peak 1183 ppm1 9.076751 ppm2 6.597404 volume 4780000 weight 1.0           
REMARK dnoe: 2.695524 position 4.476908 7.042436                                
ASSI { 1185 }                                                                   
     ( attr rmsd >= 6.982436 and attr rmsd <= 7.102436 )                        
     (( attr rmsd >= 4.436908 and attr rmsd <= 4.516908 )                       
     and bondedto ( attr rmsd >= 56.90583 and attr rmsd <= 58.50583 ))
      3.0 3.0 0.5999999                                                         
      peak 1185 ppm1 7.042436 ppm2 4.476908 volume 19800000 weight 1.0          
REMARK dnoe: 3.152322 position 4.422976 6.581682                                
ASSI { 1186 }                                                                   
     ( attr rmsd >= 6.521682 and attr rmsd <= 6.641682 )                        
     (( attr rmsd >= 4.382976 and attr rmsd <= 4.462976 )                       
     and bondedto ( attr rmsd >= 56.95200 and attr rmsd <= 58.55200 ))
      3.6 3.6 1.4                                                               
      peak 1186 ppm1 6.581682 ppm2 4.422976 volume 7740000 weight 1.0           
REMARK dnoe: 3.757163 position 3.853898 8.113159                                
ASSI { 1187 }                                                                   
     ( attr rmsd >= 8.053159 and attr rmsd <= 8.17316 )                         
     (( attr rmsd >= 3.813898 and attr rmsd <= 3.893898 )                       
     and bondedto ( attr rmsd >= 57.08280 and attr rmsd <= 58.68280 ))
      4.2 4.2 1.8                                                               
      peak 1187 ppm1 8.113159 ppm2 3.853898 volume 2700000 weight 1.0           
REMARK dnoe: 2.922093 position 6.595434 5.878994                                
ASSI { 1188 }                                                                   
     ( attr rmsd >= 5.818994 and attr rmsd <= 5.938994 )                        
     (( attr rmsd >= 6.555434 and attr rmsd <= 6.635434 )                       
     and bondedto ( attr rmsd >= 56.95221 and attr rmsd <= 58.55221 ))
      3.0 3.0 0.5999999                                                         
      peak 1188 ppm1 5.878994 ppm2 6.595434 volume 12200000 weight 1.0          
REMARK dnoe: 2.866161 position 6.597404 3.603326                                
ASSI { 1189 }                                                                   
     ( attr rmsd >= 3.543326 and attr rmsd <= 3.663326 )                        
     (( attr rmsd >= 6.557404 and attr rmsd <= 6.637404 )                       
     and bondedto ( attr rmsd >= 56.95200 and attr rmsd <= 58.55200 ))
      3.0 3.0 0.5999999                                                         
      peak 1189 ppm1 3.603326 ppm2 6.597404 volume 13699999 weight 1.0          
REMARK dnoe: 2.910286 position 6.59935 3.261047                                 
ASSI { 1190 }                                                                   
     ( attr rmsd >= 3.201047 and attr rmsd <= 3.321047 )                        
     (( attr rmsd >= 6.55935 and attr rmsd <= 6.63935 )                         
     and bondedto ( attr rmsd >= 56.92946 and attr rmsd <= 58.52946 ))
      3.0 3.0 0.5999999                                                         
      peak 1190 ppm1 3.261047 ppm2 6.59935 volume 12500000 weight 1.0           
REMARK dnoe: 3.199498 position 6.59935 2.987211                                 
ASSI { 1191 }                                                                   
     ( attr rmsd >= 2.927211 and attr rmsd <= 3.047211 )                        
     (( attr rmsd >= 6.55935 and attr rmsd <= 6.63935 )                         
     and bondedto ( attr rmsd >= 56.95200 and attr rmsd <= 58.55200 ))
      3.6 3.6 1.4                                                               
      peak 1191 ppm1 2.987211 ppm2 6.59935 volume 7080000 weight 1.0            
REMARK dnoe: 2.883976 position 4.547583 3.821693                                
ASSI { 1192 }                                                                   
     ( attr rmsd >= 3.761693 and attr rmsd <= 3.881693 )                        
     (( attr rmsd >= 4.507583 and attr rmsd <= 4.587583 )                       
     and bondedto ( attr rmsd >= 57.05436 and attr rmsd <= 58.65436 ))
      3.0 3.0 0.5999999                                                         
      peak 1192 ppm1 3.821693 ppm2 4.547583 volume 13200000 weight 1.0          
REMARK dnoe: 2.570956 position 4.418614 3.980943                                
ASSI { 1193 }                                                                   
     ( attr rmsd >= 3.920943 and attr rmsd <= 4.040943 )                        
     (( attr rmsd >= 4.378614 and attr rmsd <= 4.458614 )                       
     and bondedto ( attr rmsd >= 56.81615 and attr rmsd <= 58.41615 ))
      3.0 3.0 0.5999999                                                         
      peak 1193 ppm1 3.980943 ppm2 4.418614 volume 26300002 weight 1.0          
REMARK dnoe: 2.754202 position 4.266198 3.801844                                
ASSI { 1194 }                                                                   
     ( attr rmsd >= 3.741844 and attr rmsd <= 3.861844 )                        
     (( attr rmsd >= 4.226198 and attr rmsd <= 4.306198 )                       
     and bondedto ( attr rmsd >= 56.95090 and attr rmsd <= 58.55090 ))
      3.0 3.0 0.5999999                                                         
      peak 1194 ppm1 3.801844 ppm2 4.266198 volume 17400000 weight 1.0          
REMARK dnoe: 2.627153 position 4.268144 3.520296                                
ASSI { 1195 }                                                                   
     ( attr rmsd >= 3.460296 and attr rmsd <= 3.580296 )                        
     (( attr rmsd >= 4.228144 and attr rmsd <= 4.308144 )                       
     and bondedto ( attr rmsd >= 56.97583 and attr rmsd <= 58.57583 ))
      3.0 3.0 0.5999999                                                         
      peak 1195 ppm1 3.520296 ppm2 4.268144 volume 23100000 weight 1.0          
REMARK dnoe: 2.547299 position 4.402975 3.53267                                 
ASSI { 1196 }                                                                   
     ( attr rmsd >= 3.47267 and attr rmsd <= 3.59267 )                          
     (( attr rmsd >= 4.362975 and attr rmsd <= 4.442975 )                       
     and bondedto ( attr rmsd >= 56.70284 and attr rmsd <= 58.30284 ))
      3.0 3.0 0.5999999                                                         
      peak 1196 ppm1 3.53267 ppm2 4.402975 volume 27800000 weight 1.0           
REMARK dnoe: 2.982062 position 3.856173 3.599524                                
ASSI { 1197 }                                                                   
     ( attr rmsd >= 3.539524 and attr rmsd <= 3.659524 )                        
     (( attr rmsd >= 3.816173 and attr rmsd <= 3.896173 )                       
     and bondedto ( attr rmsd >= 56.99574 and attr rmsd <= 58.59574 ))
      3.0 3.0 0.5999999                                                         
      peak 1197 ppm1 3.599524 ppm2 3.856173 volume 10800000 weight 1.0          
REMARK dnoe: 2.555016 position 4.47529 3.194796                                 
ASSI { 1198 }                                                                   
     ( attr rmsd >= 3.134796 and attr rmsd <= 3.254796 )                        
     (( attr rmsd >= 4.43529 and attr rmsd <= 4.51529 )                         
     and bondedto ( attr rmsd >= 56.86143 and attr rmsd <= 58.46143 ))
      3.0 3.0 0.5999999                                                         
      peak 1198 ppm1 3.194796 ppm2 4.47529 volume 27300000 weight 1.0           
REMARK dnoe: 2.721325 position 4.485045 2.973978                                
ASSI { 1199 }                                                                   
     ( attr rmsd >= 2.913978 and attr rmsd <= 3.033978 )                        
     (( attr rmsd >= 4.445045 and attr rmsd <= 4.525045 )                       
     and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
      3.0 3.0 0.5999999                                                         
      peak 1199 ppm1 2.973978 ppm2 4.485045 volume 18700000 weight 1.0          
REMARK dnoe: 2.829504 position 4.094248 2.965128                                
ASSI { 1200 }                                                                   
     ( attr rmsd >= 2.905128 and attr rmsd <= 3.025128 )                        
     (( attr rmsd >= 4.054248 and attr rmsd <= 4.134248 )                       
     and bondedto ( attr rmsd >= 56.81615 and attr rmsd <= 58.41615 ))
      3.0 3.0 0.5999999                                                         
      peak 1200 ppm1 2.965128 ppm2 4.094248 volume 14800000 weight 1.0          
REMARK dnoe: 2.902597 position 4.092629 2.814987                                
ASSI { 1201 }                                                                   
     ( attr rmsd >= 2.754987 and attr rmsd <= 2.874987 )                        
     (( attr rmsd >= 4.052629 and attr rmsd <= 4.132629 )                       
     and bondedto ( attr rmsd >= 56.79340 and attr rmsd <= 58.39340 ))
      3.0 3.0 0.5999999                                                         
      peak 1201 ppm1 2.814987 ppm2 4.092629 volume 12700000 weight 1.0          
REMARK dnoe: 2.688776 position 3.825431 2.202375                                
ASSI { 1202 }                                                                   
     ( attr rmsd >= 2.142375 and attr rmsd <= 2.262375 )                        
     (( attr rmsd >= 3.785431 and attr rmsd <= 3.865431 )                       
     and bondedto ( attr rmsd >= 57.06617 and attr rmsd <= 58.66617 ))
      3.0 3.0 0.5999999                                                         
      peak 1202 ppm1 2.202375 ppm2 3.825431 volume 20100000 weight 1.0          
REMARK dnoe: 2.632883 position 3.860112 1.92622                                 
ASSI { 1203 }                                                                   
     ( attr rmsd >= 1.86622 and attr rmsd <= 1.98622 )                          
     (( attr rmsd >= 3.820112 and attr rmsd <= 3.900112 )                       
     and bondedto ( attr rmsd >= 57.02461 and attr rmsd <= 58.62461 ))
      3.0 3.0 0.5999999                                                         
      peak 1203 ppm1 1.92622 ppm2 3.860112 volume 22800000 weight 1.0           
REMARK dnoe: 2.338842 position 3.858166 1.757046                                
ASSI { 1204 }                                                                   
     ( attr rmsd >= 1.697046 and attr rmsd <= 1.817046 )                        
     (( attr rmsd >= 3.818166 and attr rmsd <= 3.898166 )                       
     and bondedto ( attr rmsd >= 56.99377 and attr rmsd <= 58.59377 ))
      2.5 2.5 0.2                                                               
      peak 1204 ppm1 1.757046 ppm2 3.858166 volume 46400000 weight 1.0          
REMARK dnoe: 2.376121 position 3.855774 1.609226                                
ASSI { 1205 }                                                                   
     ( attr rmsd >= 1.549226 and attr rmsd <= 1.669226 )                        
     (( attr rmsd >= 3.815774 and attr rmsd <= 3.895774 )                       
     and bondedto ( attr rmsd >= 57.01346 and attr rmsd <= 58.61346 ))
      2.5 2.5 0.2                                                               
      peak 1205 ppm1 1.609226 ppm2 3.855774 volume 42200000 weight 1.0          
REMARK dnoe: 2.374249 position 3.826581 1.495992                                
ASSI { 1206 }                                                                   
     ( attr rmsd >= 1.435992 and attr rmsd <= 1.555992 )                        
     (( attr rmsd >= 3.786581 and attr rmsd <= 3.866581 )                       
     and bondedto ( attr rmsd >= 57.05305 and attr rmsd <= 58.65305 ))
      2.5 2.5 0.2                                                               
      peak 1206 ppm1 1.495992 ppm2 3.826581 volume 42400000 weight 1.0          
REMARK dnoe: 2.42013 position 3.82386 1.22061                                   
ASSI { 1207 }                                                                   
     ( attr rmsd >= 1.16061 and attr rmsd <= 1.28061 )                          
     (( attr rmsd >= 3.78386 and attr rmsd <= 3.86386 )                         
     and bondedto ( attr rmsd >= 57.07405 and attr rmsd <= 58.67405 ))
      2.5 2.5 0.2                                                               
      peak 1207 ppm1 1.22061 ppm2 3.82386 volume 37800000 weight 1.0            
REMARK dnoe: 2.484393 position 4.090168 1.406132                                
ASSI { 1208 }                                                                   
     ( attr rmsd >= 1.346132 and attr rmsd <= 1.466132 )                        
     (( attr rmsd >= 4.050168 and attr rmsd <= 4.130168 )                       
     and bondedto ( attr rmsd >= 56.72559 and attr rmsd <= 58.32559 ))
      2.5 2.5 0.2                                                               
      peak 1208 ppm1 1.406132 ppm2 4.090168 volume 32300002 weight 1.0          
REMARK dnoe: 2.773115 position 4.091199 1.240503                                
ASSI { 1209 }                                                                   
     ( attr rmsd >= 1.180503 and attr rmsd <= 1.300503 )                        
     (( attr rmsd >= 4.051199 and attr rmsd <= 4.131199 )                       
     and bondedto ( attr rmsd >= 56.83890 and attr rmsd <= 58.43890 ))
      3.0 3.0 0.5999999                                                         
      peak 1209 ppm1 1.240503 ppm2 4.091199 volume 16700000 weight 1.0          
REMARK dnoe: 3.038548 position 4.269152 2.001987                                
ASSI { 1210 }                                                                   
     ( attr rmsd >= 1.941987 and attr rmsd <= 2.061987 )                        
     (( attr rmsd >= 4.229152 and attr rmsd <= 4.309152 )                       
     and bondedto ( attr rmsd >= 56.96905 and attr rmsd <= 58.56905 ))
      3.6 3.6 1.4                                                               
      peak 1210 ppm1 2.001987 ppm2 4.269152 volume 9650000 weight 1.0           
REMARK dnoe: 2.795897 position 4.268683 1.688173                                
ASSI { 1211 }                                                                   
     ( attr rmsd >= 1.628173 and attr rmsd <= 1.748173 )                        
     (( attr rmsd >= 4.228683 and attr rmsd <= 4.308683 )                       
     and bondedto ( attr rmsd >= 56.95790 and attr rmsd <= 58.55790 ))
      3.0 3.0 0.5999999                                                         
      peak 1211 ppm1 1.688173 ppm2 4.268683 volume 15899999 weight 1.0          
REMARK dnoe: 2.964042 position 4.271731 0.9633803                               
ASSI { 1212 }                                                                   
     ( attr rmsd >= 0.9033803 and attr rmsd <= 1.02338 )                        
     (( attr rmsd >= 4.231731 and attr rmsd <= 4.311731 )                       
     and bondedto ( attr rmsd >= 56.99399 and attr rmsd <= 58.59399 ))
      3.0 3.0 0.5999999                                                         
      peak 1212 ppm1 0.9633803 ppm2 4.271731 volume 11200000 weight 1.0         
REMARK dnoe: 3.188338 position 3.832278 0.7492871                               
ASSI { 1213 }                                                                   
     ( attr rmsd >= 0.6892871 and attr rmsd <= 0.8092871 )                      
     (( attr rmsd >= 3.792278 and attr rmsd <= 3.872278 )                       
     and bondedto ( attr rmsd >= 56.97408 and attr rmsd <= 58.57408 ))
      3.6 3.6 1.4                                                               
      peak 1213 ppm1 0.7492871 ppm2 3.832278 volume 7230000 weight 1.0          
REMARK dnoe: 3.333003 position 4.092396 0.7748296                               
ASSI { 1214 }                                                                   
     ( attr rmsd >= 0.7148296 and attr rmsd <= 0.8348296 )                      
     (( attr rmsd >= 4.052396 and attr rmsd <= 4.132396 )                       
     and bondedto ( attr rmsd >= 56.83387 and attr rmsd <= 58.43387 ))
      3.6 3.6 1.4                                                               
      peak 1214 ppm1 0.7748296 ppm2 4.092396 volume 5540000 weight 1.0          
REMARK dnoe: 2.597992 position 4.26404 0.5901885                                
ASSI { 1215 }                                                                   
     ( attr rmsd >= 0.5301885 and attr rmsd <= 0.6501885 )                      
     (( attr rmsd >= 4.22404 and attr rmsd <= 4.30404 )                         
     and bondedto ( attr rmsd >= 56.94783 and attr rmsd <= 58.54783 ))
      3.0 3.0 0.5999999                                                         
      peak 1215 ppm1 0.5901885 ppm2 4.26404 volume 24700000 weight 1.0          
REMARK dnoe: 2.743789 position 4.267441 0.276031                                
ASSI { 1216 }                                                                   
     ( attr rmsd >= 0.216031 and attr rmsd <= 0.336031 )                        
     (( attr rmsd >= 4.227441 and attr rmsd <= 4.307441 )                       
     and bondedto ( attr rmsd >= 56.99181 and attr rmsd <= 58.59181 ))
      3.0 3.0 0.5999999                                                         
      peak 1216 ppm1 0.276031 ppm2 4.267441 volume 17800000 weight 1.0          
REMARK dnoe: 2.926104 position 4.258928 0.3635716                               
ASSI { 1217 }                                                                   
     ( attr rmsd >= 0.3035716 and attr rmsd <= 0.4235716 )                      
     (( attr rmsd >= 4.218928 and attr rmsd <= 4.298928 )                       
     and bondedto ( attr rmsd >= 56.96905 and attr rmsd <= 58.56905 ))
      3.0 3.0 0.5999999                                                         
      peak 1217 ppm1 0.3635716 ppm2 4.258928 volume 12100000 weight 1.0         
REMARK dnoe: 2.481838 position 4.400348 0.7672248                               
ASSI { 1218 }                                                                   
     ( attr rmsd >= 0.7072248 and attr rmsd <= 0.8272248 )                      
     (( attr rmsd >= 4.360348 and attr rmsd <= 4.440348 )                       
     and bondedto ( attr rmsd >= 56.82425 and attr rmsd <= 58.42425 ))
      2.5 2.5 0.2                                                               
      peak 1218 ppm1 0.7672248 ppm2 4.400348 volume 32499998 weight 1.0         
REMARK dnoe: 2.693261 position 4.421124 2.057004                                
ASSI { 1219 }                                                                   
     ( attr rmsd >= 1.997004 and attr rmsd <= 2.117004 )                        
     (( attr rmsd >= 4.381124 and attr rmsd <= 4.461124 )                       
     and bondedto ( attr rmsd >= 56.82425 and attr rmsd <= 58.42425 ))
      3.0 3.0 0.5999999                                                         
      peak 1219 ppm1 2.057004 ppm2 4.421124 volume 19900000 weight 1.0          
REMARK dnoe: 2.669218 position 4.408977 1.538656                                
ASSI { 1220 }                                                                   
     ( attr rmsd >= 1.478656 and attr rmsd <= 1.598656 )                        
     (( attr rmsd >= 4.368977 and attr rmsd <= 4.448977 )                       
     and bondedto ( attr rmsd >= 56.94630 and attr rmsd <= 58.54630 ))
      3.0 3.0 0.5999999                                                         
      peak 1220 ppm1 1.538656 ppm2 4.408977 volume 21000000 weight 1.0          
REMARK dnoe: 2.926104 position 4.422789 1.188387                                
ASSI { 1221 }                                                                   
     ( attr rmsd >= 1.128387 and attr rmsd <= 1.248387 )                        
     (( attr rmsd >= 4.382789 and attr rmsd <= 4.462789 )                       
     and bondedto ( attr rmsd >= 56.97693 and attr rmsd <= 58.57693 ))
      3.0 3.0 0.5999999                                                         
      peak 1221 ppm1 1.188387 ppm2 4.422789 volume 12100000 weight 1.0          
REMARK dnoe: 2.746366 position 3.82923 2.035629                                 
ASSI { 1222 }                                                                   
     ( attr rmsd >= 1.975629 and attr rmsd <= 2.095629 )                        
     (( attr rmsd >= 3.78923 and attr rmsd <= 3.86923 )                         
     and bondedto ( attr rmsd >= 57.06399 and attr rmsd <= 58.66399 ))
      3.0 3.0 0.5999999                                                         
      peak 1222 ppm1 2.035629 ppm2 3.82923 volume 17700000 weight 1.0           
REMARK dnoe: 3.326035 position 1.844057 2.962185                                
ASSI { 1223 }                                                                   
     ( attr rmsd >= 2.902185 and attr rmsd <= 3.022185 )                        
     (( attr rmsd >= 1.804057 and attr rmsd <= 1.884057 )                       
     and bondedto ( attr rmsd >= 29.46860 and attr rmsd <= 31.06860 ))
      3.6 3.6 1.4                                                               
      peak 1223 ppm1 2.962185 ppm2 1.844057 volume 5610000 weight 1.0           
REMARK dnoe: 3.354539 position 2.218206 2.94038                                 
ASSI { 1224 }                                                                   
     ( attr rmsd >= 2.88038 and attr rmsd <= 3.00038 )                          
     (( attr rmsd >= 2.178206 and attr rmsd <= 2.258206 )                       
     and bondedto ( attr rmsd >= 29.44542 and attr rmsd <= 31.04542 ))
      3.6 3.6 1.4                                                               
      peak 1224 ppm1 2.94038 ppm2 2.218206 volume 5330000 weight 1.0            
REMARK dnoe: 3.725641 position 4.420889 9.254431                                
ASSI { 1225 }                                                                   
     ( attr rmsd >= 9.19443 and attr rmsd <= 9.314431 )                         
     (( attr rmsd >= 4.380889 and attr rmsd <= 4.460889 )                       
     and bondedto ( attr rmsd >= 56.96337 and attr rmsd <= 58.56337 ))
      4.2 4.2 1.8                                                               
      peak 1225 ppm1 9.254431 ppm2 4.420889 volume 2840000 weight 1.0           
REMARK dnoe: 3.260627 position 4.091293 7.238076                                
ASSI { 1226 }                                                                   
     ( attr rmsd >= 7.178076 and attr rmsd <= 7.298076 )                        
     (( attr rmsd >= 4.051293 and attr rmsd <= 4.131293 )                       
     and bondedto ( attr rmsd >= 56.73412 and attr rmsd <= 58.33412 ))
      3.6 3.6 1.4                                                               
      peak 1226 ppm1 7.238076 ppm2 4.091293 volume 6320001 weight 1.0           
REMARK dnoe: 3.225052 position 6.598342 7.217345                                
ASSI { 1227 }                                                                   
     ( attr rmsd >= 7.157345 and attr rmsd <= 7.277345 )                        
     (( attr rmsd >= 6.558342 and attr rmsd <= 6.638342 )                       
     and bondedto ( attr rmsd >= 56.73893 and attr rmsd <= 58.33893 ))
      3.6 3.6 1.4                                                               
      peak 1227 ppm1 7.217345 ppm2 6.598342 volume 6750000 weight 1.0           
REMARK dnoe: 2.842455 position 6.598342 6.92482                                 
ASSI { 1228 }                                                                   
     ( attr rmsd >= 6.86482 and attr rmsd <= 6.98482 )                          
     (( attr rmsd >= 6.558342 and attr rmsd <= 6.638342 )                       
     and bondedto ( attr rmsd >= 56.85749 and attr rmsd <= 58.45749 ))
      3.0 3.0 0.5999999                                                         
      peak 1228 ppm1 6.92482 ppm2 6.598342 volume 14399999 weight 1.0           
REMARK dnoe: 2.394435 position 5.297568 3.284785                                
ASSI { 1229 }                                                                   
     ( attr rmsd >= 3.224785 and attr rmsd <= 3.344785 )                        
     (( attr rmsd >= 5.257568 and attr rmsd <= 5.337568 )                       
     and bondedto ( attr rmsd >= 56.17764 and attr rmsd <= 57.77764 ))
      2.5 2.5 0.2                                                               
      peak 1229 ppm1 3.284785 ppm2 5.297568 volume 40300000 weight 1.0          
REMARK dnoe: 3.188338 position 4.334902 2.951207                                
ASSI { 1230 }                                                                   
     ( attr rmsd >= 2.891207 and attr rmsd <= 3.011207 )                        
     (( attr rmsd >= 4.294902 and attr rmsd <= 4.374902 )                       
     and bondedto ( attr rmsd >= 56.61141 and attr rmsd <= 58.21141 ))
      3.6 3.6 1.4                                                               
      peak 1230 ppm1 2.951207 ppm2 4.334902 volume 7230000 weight 1.0           
REMARK dnoe: 3.159851 position 4.334222 3.083624                                
ASSI { 1231 }                                                                   
     ( attr rmsd >= 3.023624 and attr rmsd <= 3.143624 )                        
     (( attr rmsd >= 4.294222 and attr rmsd <= 4.374222 )                       
     and bondedto ( attr rmsd >= 56.65340 and attr rmsd <= 58.25340 ))
      3.6 3.6 1.4                                                               
      peak 1231 ppm1 3.083624 ppm2 4.334222 volume 7630000 weight 1.0           
REMARK dnoe: 2.654671 position 5.293441 8.610111                                
ASSI { 1232 }                                                                   
     ( attr rmsd >= 8.550111 and attr rmsd <= 8.670112 )                        
     (( attr rmsd >= 5.253441 and attr rmsd <= 5.333441 )                       
     and bondedto ( attr rmsd >= 56.18442 and attr rmsd <= 57.78442 ))
      3.0 3.0 0.5999999                                                         
      peak 1232 ppm1 8.610111 ppm2 5.293441 volume 21700000 weight 1.0          
REMARK dnoe: 2.162818 position 4.415941 3.775614                                
ASSI { 1233 }                                                                   
     ( attr rmsd >= 3.715614 and attr rmsd <= 3.835614 )                        
     (( attr rmsd >= 4.375941 and attr rmsd <= 4.455941 )                       
     and bondedto ( attr rmsd >= 56.60770 and attr rmsd <= 58.20770 ))
      2.5 2.5 0.2                                                               
      peak 1233 ppm1 3.775614 ppm2 4.415941 volume 74200000 weight 1.0          
REMARK dnoe: 1.927719 position 4.35141 3.71222                                  
ASSI { 1234 }                                                                   
     ( attr rmsd >= 3.65222 and attr rmsd <= 3.77222 )                          
     (( attr rmsd >= 4.31141 and attr rmsd <= 4.39141 )                         
     and bondedto ( attr rmsd >= 56.77175 and attr rmsd <= 58.37175 ))
      2.5 2.5 0.2                                                               
      peak 1234 ppm1 3.71222 ppm2 4.35141 volume 148000000 weight 1.0           
REMARK dnoe: 3.177444 position 2.970653 8.418531                                
ASSI { 1235 }                                                                   
     ( attr rmsd >= 8.358531 and attr rmsd <= 8.478532 )                        
     (( attr rmsd >= 2.930653 and attr rmsd <= 3.010653 )                       
     and bondedto ( attr rmsd >= 28.56804 and attr rmsd <= 30.16804 ))
      3.6 3.6 1.4                                                               
      peak 1235 ppm1 8.418531 ppm2 2.970653 volume 7380000 weight 1.0           
REMARK dnoe: 3.384845 position 2.806418 8.418531                                
ASSI { 1236 }                                                                   
     ( attr rmsd >= 8.358531 and attr rmsd <= 8.478532 )                        
     (( attr rmsd >= 2.766418 and attr rmsd <= 2.846418 )                       
     and bondedto ( attr rmsd >= 28.54026 and attr rmsd <= 30.14026 ))
      3.6 3.6 1.4                                                               
      peak 1236 ppm1 8.418531 ppm2 2.806418 volume 5050000 weight 1.0           
REMARK dnoe: 3.042237 position 2.822855 8.269358                                
ASSI { 1237 }                                                                   
     ( attr rmsd >= 8.209357 and attr rmsd <= 8.329358 )                        
     (( attr rmsd >= 2.782855 and attr rmsd <= 2.862855 )                       
     and bondedto ( attr rmsd >= 28.56213 and attr rmsd <= 30.16213 ))
      3.6 3.6 1.4                                                               
      peak 1237 ppm1 8.269358 ppm2 2.822855 volume 9580000 weight 1.0           
REMARK dnoe: 3.101066 position 2.984348 8.269358                                
ASSI { 1238 }                                                                   
     ( attr rmsd >= 8.209357 and attr rmsd <= 8.329358 )                        
     (( attr rmsd >= 2.944348 and attr rmsd <= 3.024348 )                       
     and bondedto ( attr rmsd >= 28.59232 and attr rmsd <= 30.19232 ))
      3.6 3.6 1.4                                                               
      peak 1238 ppm1 8.269358 ppm2 2.984348 volume 8540000 weight 1.0           
REMARK dnoe: 2.855832 position 2.984348 7.273156                                
ASSI { 1239 }                                                                   
     ( attr rmsd >= 7.213156 and attr rmsd <= 7.333156 )                        
     (( attr rmsd >= 2.944348 and attr rmsd <= 3.024348 )                       
     and bondedto ( attr rmsd >= 28.55491 and attr rmsd <= 30.15491 ))
      3.0 3.0 0.5999999                                                         
      peak 1239 ppm1 7.273156 ppm2 2.984348 volume 14000000 weight 1.0          
REMARK dnoe: 2.829504 position 2.825575 7.280761                                
ASSI { 1240 }                                                                   
     ( attr rmsd >= 7.220761 and attr rmsd <= 7.340761 )                        
     (( attr rmsd >= 2.785575 and attr rmsd <= 2.865575 )                       
     and bondedto ( attr rmsd >= 28.55469 and attr rmsd <= 30.15469 ))
      3.0 3.0 0.5999999                                                         
      peak 1240 ppm1 7.280761 ppm2 2.825575 volume 14800000 weight 1.0          
REMARK dnoe: 3.675606 position 1.654099 8.635975                                
ASSI { 1241 }                                                                   
     ( attr rmsd >= 8.575974 and attr rmsd <= 8.695975 )                        
     (( attr rmsd >= 1.614099 and attr rmsd <= 1.694099 )                       
     and bondedto ( attr rmsd >= 28.51510 and attr rmsd <= 30.11510 ))
      4.2 4.2 1.8                                                               
      peak 1241 ppm1 8.635975 ppm2 1.654099 volume 3080000 weight 1.0           
REMARK dnoe: 2.526525 position 1.654099 4.725199                                
ASSI { 1242 }                                                                   
     ( attr rmsd >= 4.665199 and attr rmsd <= 4.785199 )                        
     (( attr rmsd >= 1.614099 and attr rmsd <= 1.694099 )                       
     and bondedto ( attr rmsd >= 28.51379 and attr rmsd <= 30.11379 ))
      3.0 3.0 0.5999999                                                         
      peak 1242 ppm1 4.725199 ppm2 1.654099 volume 29200000 weight 1.0          
REMARK dnoe: 2.42013 position 2.011669 4.527969                                 
ASSI { 1243 }                                                                   
     ( attr rmsd >= 4.467969 and attr rmsd <= 4.587969 )                        
     (( attr rmsd >= 1.971669 and attr rmsd <= 2.051669 )                       
     and bondedto ( attr rmsd >= 28.26289 and attr rmsd <= 29.86289 ))
      2.5 2.5 0.2                                                               
      peak 1243 ppm1 4.527969 ppm2 2.011669 volume 37800000 weight 1.0          
REMARK dnoe: 2.316899 position 1.799669 4.508549                                
ASSI { 1244 }                                                                   
     ( attr rmsd >= 4.448549 and attr rmsd <= 4.568549 )                        
     (( attr rmsd >= 1.759669 and attr rmsd <= 1.839669 )                       
     and bondedto ( attr rmsd >= 28.12355 and attr rmsd <= 29.72355 ))
      2.5 2.5 0.2                                                               
      peak 1244 ppm1 4.508549 ppm2 1.799669 volume 49100000 weight 1.0          
REMARK dnoe: 2.804787 position 2.970653 4.10453                                 
ASSI { 1245 }                                                                   
     ( attr rmsd >= 4.04453 and attr rmsd <= 4.16453 )                          
     (( attr rmsd >= 2.930653 and attr rmsd <= 3.010653 )                       
     and bondedto ( attr rmsd >= 28.58750 and attr rmsd <= 30.18750 ))
      3.0 3.0 0.5999999                                                         
      peak 1245 ppm1 4.10453 ppm2 2.970653 volume 15600000 weight 1.0           
REMARK dnoe: 2.731149 position 2.811905 4.100685                                
ASSI { 1246 }                                                                   
     ( attr rmsd >= 4.040685 and attr rmsd <= 4.160685 )                        
     (( attr rmsd >= 2.771905 and attr rmsd <= 2.851905 )                       
     and bondedto ( attr rmsd >= 28.56497 and attr rmsd <= 30.16497 ))
      3.0 3.0 0.5999999                                                         
      peak 1246 ppm1 4.100685 ppm2 2.811905 volume 18300000 weight 1.0          
REMARK dnoe: 2.493481 position 2.809162 2.98313                                 
ASSI { 1247 }                                                                   
     ( attr rmsd >= 2.92313 and attr rmsd <= 3.04313 )                          
     (( attr rmsd >= 2.769162 and attr rmsd <= 2.849162 )                       
     and bondedto ( attr rmsd >= 28.58488 and attr rmsd <= 30.18488 ))
      2.5 2.5 0.2                                                               
      peak 1247 ppm1 2.98313 ppm2 2.809162 volume 31600002 weight 1.0           
REMARK dnoe: 2.625262 position 2.98981 2.811207                                 
ASSI { 1248 }                                                                   
     ( attr rmsd >= 2.751207 and attr rmsd <= 2.871207 )                        
     (( attr rmsd >= 2.94981 and attr rmsd <= 3.02981 )                         
     and bondedto ( attr rmsd >= 28.58510 and attr rmsd <= 30.18510 ))
      3.0 3.0 0.5999999                                                         
      peak 1248 ppm1 2.811207 ppm2 2.98981 volume 23200000 weight 1.0           
REMARK dnoe: 2.328911 position 1.656842 2.98313                                 
ASSI { 1249 }                                                                   
     ( attr rmsd >= 2.92313 and attr rmsd <= 3.04313 )                          
     (( attr rmsd >= 1.616842 and attr rmsd <= 1.696842 )                       
     and bondedto ( attr rmsd >= 28.53282 and attr rmsd <= 30.13282 ))
      2.5 2.5 0.2                                                               
      peak 1249 ppm1 2.98313 ppm2 1.656842 volume 47600000 weight 1.0           
REMARK dnoe: 2.32245 position 1.487893 2.948694                                 
ASSI { 1250 }                                                                   
     ( attr rmsd >= 2.888694 and attr rmsd <= 3.008694 )                        
     (( attr rmsd >= 1.447893 and attr rmsd <= 1.527893 )                       
     and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
      2.5 2.5 0.2                                                               
      peak 1250 ppm1 2.948694 ppm2 1.487893 volume 48400000 weight 1.0          
REMARK dnoe: 2.603289 position 1.807078 2.323686                                
ASSI { 1251 }                                                                   
     ( attr rmsd >= 2.263686 and attr rmsd <= 2.383686 )                        
     (( attr rmsd >= 1.767078 and attr rmsd <= 1.847078 )                       
     and bondedto ( attr rmsd >= 28.28607 and attr rmsd <= 29.88607 ))
      3.0 3.0 0.5999999                                                         
      peak 1251 ppm1 2.323686 ppm2 1.807078 volume 24400000 weight 1.0          
REMARK dnoe: 2.553459 position 2.011669 2.316554                                
ASSI { 1252 }                                                                   
     ( attr rmsd >= 2.256554 and attr rmsd <= 2.376554 )                        
     (( attr rmsd >= 1.971669 and attr rmsd <= 2.051669 )                       
     and bondedto ( attr rmsd >= 28.35564 and attr rmsd <= 29.95564 ))
      3.0 3.0 0.5999999                                                         
      peak 1252 ppm1 2.316554 ppm2 2.011669 volume 27399998 weight 1.0          
REMARK dnoe: 1.982755 position 1.809564 2.005446                                
ASSI { 1253 }                                                                   
     ( attr rmsd >= 1.945446 and attr rmsd <= 2.065446 )                        
     (( attr rmsd >= 1.769564 and attr rmsd <= 1.849564 )                       
     and bondedto ( attr rmsd >= 28.33245 and attr rmsd <= 29.93245 ))
      2.5 2.5 0.2                                                               
      peak 1253 ppm1 2.005446 ppm2 1.809564 volume 125000000 weight 1.0         
REMARK dnoe: 1.980123 position 2.011035 1.811869                                
ASSI { 1254 }                                                                   
     ( attr rmsd >= 1.751869 and attr rmsd <= 1.871869 )                        
     (( attr rmsd >= 1.971035 and attr rmsd <= 2.051035 )                       
     and bondedto ( attr rmsd >= 28.37882 and attr rmsd <= 29.97882 ))
      2.5 2.5 0.2                                                               
      peak 1254 ppm1 1.811869 ppm2 2.011035 volume 126000000 weight 1.0         
REMARK dnoe: 2.762197 position 1.653864 0.7244751                               
ASSI { 1255 }                                                                   
     ( attr rmsd >= 0.6644751 and attr rmsd <= 0.7844751 )                      
     (( attr rmsd >= 1.613864 and attr rmsd <= 1.693864 )                       
     and bondedto ( attr rmsd >= 28.55469 and attr rmsd <= 30.15469 ))
      3.0 3.0 0.5999999                                                         
      peak 1255 ppm1 0.7244751 ppm2 1.653864 volume 17100000 weight 1.0         
REMARK dnoe: 2.236433 position 1.465054 0.7578158                               
ASSI { 1256 }                                                                   
     ( attr rmsd >= 0.6978158 and attr rmsd <= 0.8178158 )                      
     (( attr rmsd >= 1.425054 and attr rmsd <= 1.505054 )                       
     and bondedto ( attr rmsd >= 28.77300 and attr rmsd <= 30.37300 ))
      2.5 2.5 0.2                                                               
      peak 1256 ppm1 0.7578158 ppm2 1.465054 volume 60700000 weight 1.0         
REMARK dnoe: 1.982755 position 1.465735 1.089611                                
ASSI { 1257 }                                                                   
     ( attr rmsd >= 1.029611 and attr rmsd <= 1.149611 )                        
     (( attr rmsd >= 1.425735 and attr rmsd <= 1.505735 )                       
     and bondedto ( attr rmsd >= 28.72663 and attr rmsd <= 30.32663 ))
      2.5 2.5 0.2                                                               
      peak 1257 ppm1 1.089611 ppm2 1.465735 volume 125000000 weight 1.0         
REMARK dnoe: 3.010607 position 5.308824 1.167269                                
ASSI { 1258 }                                                                   
     ( attr rmsd >= 1.107269 and attr rmsd <= 1.227269 )                        
     (( attr rmsd >= 5.268824 and attr rmsd <= 5.348824 )                       
     and bondedto ( attr rmsd >= 56.10173 and attr rmsd <= 57.70173 ))
      3.6 3.6 1.4                                                               
      peak 1258 ppm1 1.167269 ppm2 5.308824 volume 10200000 weight 1.0          
REMARK dnoe: 4.433575 position 5.288306 9.489405                                
ASSI { 1259 }                                                                   
     ( attr rmsd >= 9.429404 and attr rmsd <= 9.549405 )                        
     (( attr rmsd >= 5.248306 and attr rmsd <= 5.328306 )                       
     and bondedto ( attr rmsd >= 56.13432 and attr rmsd <= 57.73432 ))
      4.2 4.2 1.8                                                               
      peak 1259 ppm1 9.489405 ppm2 5.288306 volume 1000000 weight 1.0           
REMARK dnoe: 3.129171 position 5.291636 6.890126                                
ASSI { 1260 }                                                                   
     ( attr rmsd >= 6.830126 and attr rmsd <= 6.950126 )                        
     (( attr rmsd >= 5.251636 and attr rmsd <= 5.331636 )                       
     and bondedto ( attr rmsd >= 56.07636 and attr rmsd <= 57.67636 ))
      3.6 3.6 1.4                                                               
      peak 1260 ppm1 6.890126 ppm2 5.291636 volume 8090000 weight 1.0           
REMARK dnoe: 2.767618 position 1.49202 4.110717                                 
ASSI { 1261 }                                                                   
     ( attr rmsd >= 4.050717 and attr rmsd <= 4.170717 )                        
     (( attr rmsd >= 1.45202 and attr rmsd <= 1.53202 )                         
     and bondedto ( attr rmsd >= 28.26289 and attr rmsd <= 29.86289 ))
      3.0 3.0 0.5999999                                                         
      peak 1261 ppm1 4.110717 ppm2 1.49202 volume 16900000 weight 1.0           
REMARK dnoe: 2.756849 position 1.612595 3.863541                                
ASSI { 1262 }                                                                   
     ( attr rmsd >= 3.803541 and attr rmsd <= 3.923541 )                        
     (( attr rmsd >= 1.572595 and attr rmsd <= 1.652595 )                       
     and bondedto ( attr rmsd >= 28.10124 and attr rmsd <= 29.70124 ))
      3.0 3.0 0.5999999                                                         
      peak 1262 ppm1 3.863541 ppm2 1.612595 volume 17300000 weight 1.0          
REMARK dnoe: 2.862689 position 1.752724 3.863541                                
ASSI { 1263 }                                                                   
     ( attr rmsd >= 3.803541 and attr rmsd <= 3.923541 )                        
     (( attr rmsd >= 1.712724 and attr rmsd <= 1.792724 )                       
     and bondedto ( attr rmsd >= 28.09446 and attr rmsd <= 29.69446 ))
      3.0 3.0 0.5999999                                                         
      peak 1263 ppm1 3.863541 ppm2 1.752724 volume 13800000 weight 1.0          
REMARK dnoe: 3.34519 position 1.798356 3.594002                                 
ASSI { 1264 }                                                                   
     ( attr rmsd >= 3.534002 and attr rmsd <= 3.654002 )                        
     (( attr rmsd >= 1.758356 and attr rmsd <= 1.838356 )                       
     and bondedto ( attr rmsd >= 28.21652 and attr rmsd <= 29.81652 ))
      3.6 3.6 1.4                                                               
      peak 1264 ppm1 3.594002 ppm2 1.798356 volume 5420000 weight 1.0           
REMARK dnoe: 3.000879 position 2.010168 3.589491                                
ASSI { 1265 }                                                                   
     ( attr rmsd >= 3.529491 and attr rmsd <= 3.649491 )                        
     (( attr rmsd >= 1.970168 and attr rmsd <= 2.050168 )                       
     and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
      3.6 3.6 1.4                                                               
      peak 1265 ppm1 3.589491 ppm2 2.010168 volume 10400000 weight 1.0          
REMARK dnoe: 2.991367 position 2.006909 3.702317                                
ASSI { 1266 }                                                                   
     ( attr rmsd >= 3.642317 and attr rmsd <= 3.762317 )                        
     (( attr rmsd >= 1.966909 and attr rmsd <= 2.046909 )                       
     and bondedto ( attr rmsd >= 28.28607 and attr rmsd <= 29.88607 ))
      3.0 3.0 0.5999999                                                         
      peak 1266 ppm1 3.702317 ppm2 2.006909 volume 10600000 weight 1.0          
REMARK dnoe: 2.327284 position 1.612595 1.929485                                
ASSI { 1267 }                                                                   
     ( attr rmsd >= 1.869485 and attr rmsd <= 1.989485 )                        
     (( attr rmsd >= 1.572595 and attr rmsd <= 1.652595 )                       
     and bondedto ( attr rmsd >= 28.11524 and attr rmsd <= 29.71524 ))
      2.5 2.5 0.2                                                               
      peak 1267 ppm1 1.929485 ppm2 1.612595 volume 47800000 weight 1.0          
REMARK dnoe: 2.291916 position 1.606638 2.91937                                 
ASSI { 1268 }                                                                   
     ( attr rmsd >= 2.85937 and attr rmsd <= 2.97937 )                          
     (( attr rmsd >= 1.566638 and attr rmsd <= 1.646638 )                       
     and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
      2.5 2.5 0.2                                                               
      peak 1268 ppm1 2.91937 ppm2 1.606638 volume 52400000 weight 1.0           
REMARK dnoe: 3.142253 position 1.796854 3.709083                                
ASSI { 1269 }                                                                   
     ( attr rmsd >= 3.649083 and attr rmsd <= 3.769083 )                        
     (( attr rmsd >= 1.756854 and attr rmsd <= 1.836854 )                       
     and bondedto ( attr rmsd >= 28.23970 and attr rmsd <= 29.83970 ))
      3.6 3.6 1.4                                                               
      peak 1269 ppm1 3.709083 ppm2 1.796854 volume 0.789e+07 weight 1.0         
REMARK dnoe: 3.062274 position 1.651472 3.697805                                
ASSI { 1270 }                                                                   
     ( attr rmsd >= 3.637805 and attr rmsd <= 3.757805 )                        
     (( attr rmsd >= 1.611472 and attr rmsd <= 1.691472 )                       
     and bondedto ( attr rmsd >= 28.58750 and attr rmsd <= 30.18750 ))
      3.6 3.6 1.4                                                               
      peak 1270 ppm1 3.697805 ppm2 1.651472 volume 9210000 weight 1.0           
REMARK dnoe: 2.887634 position 1.610718 4.232565                                
ASSI { 1271 }                                                                   
     ( attr rmsd >= 4.172565 and attr rmsd <= 4.292565 )                        
     (( attr rmsd >= 1.570718 and attr rmsd <= 1.650718 )                       
     and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
      3.0 3.0 0.5999999                                                         
      peak 1271 ppm1 4.232565 ppm2 1.610718 volume 13100000 weight 1.0          
REMARK dnoe: 2.891324 position 1.512093 -0.0567737                              
ASSI { 1273 }                                                                   
     ( attr rmsd >= -0.1167737 and attr rmsd <= 0.0032263 )                     
     (( attr rmsd >= 1.472093 and attr rmsd <= 1.552093 )                       
     and bondedto ( attr rmsd >= 28.12355 and attr rmsd <= 29.72355 ))
      3.0 3.0 0.5999999                                                         
      peak 1273 ppm1 -0.0567737 ppm2 1.512093 volume 13000000 weight 1.0        
REMARK dnoe: 3.233085 position 1.518916 9.847                                   
ASSI { 1274 }                                                                   
     ( attr rmsd >= 9.787 and attr rmsd <= 9.907001 )                           
     (( attr rmsd >= 1.478916 and attr rmsd <= 1.558916 )                       
     and bondedto ( attr rmsd >= 28.30926 and attr rmsd <= 29.90926 ))
      3.6 3.6 1.4                                                               
      peak 1274 ppm1 9.847 ppm2 1.518916 volume 6650000 weight 1.0              
REMARK dnoe: 2.986689 position 1.512937 7.325337                                
ASSI { 1275 }                                                                   
     ( attr rmsd >= 7.265337 and attr rmsd <= 7.385337 )                        
     (( attr rmsd >= 1.472937 and attr rmsd <= 1.552937 )                       
     and bondedto ( attr rmsd >= 28.15592 and attr rmsd <= 29.75592 ))
      3.0 3.0 0.5999999                                                         
      peak 1275 ppm1 7.325337 ppm2 1.512937 volume 10700000 weight 1.0          
REMARK dnoe: 3.520399 position 1.796667 8.355373                                
ASSI { 1276 }                                                                   
     ( attr rmsd >= 8.295373 and attr rmsd <= 8.415374 )                        
     (( attr rmsd >= 1.756667 and attr rmsd <= 1.836667 )                       
     and bondedto ( attr rmsd >= 28.14236 and attr rmsd <= 29.74236 ))
      3.6 3.6 1.4                                                               
      peak 1276 ppm1 8.355373 ppm2 1.796667 volume 3990000 weight 1.0           
REMARK dnoe: 3.665754 position 2.005736 8.336039                                
ASSI { 1277 }                                                                   
     ( attr rmsd >= 8.276038 and attr rmsd <= 8.396039 )                        
     (( attr rmsd >= 1.965736 and attr rmsd <= 2.045736 )                       
     and bondedto ( attr rmsd >= 28.12333 and attr rmsd <= 29.72333 ))
      4.2 4.2 1.8                                                               
      peak 1277 ppm1 8.336039 ppm2 2.005736 volume 3130000 weight 1.0           
REMARK dnoe: 2.603289 position 4.937911 8.571528                                
ASSI { 1278 }                                                                   
     ( attr rmsd >= 8.511528 and attr rmsd <= 8.631529 )                        
     (( attr rmsd >= 4.897911 and attr rmsd <= 4.977911 )                       
     and bondedto ( attr rmsd >= 55.45732 and attr rmsd <= 57.05732 ))
      3.0 3.0 0.5999999                                                         
      peak 1278 ppm1 8.571528 ppm2 4.937911 volume 24400000 weight 1.0          
REMARK dnoe: 2.410657 position 4.145108 8.273009                                
ASSI { 1279 }                                                                   
     ( attr rmsd >= 8.213009 and attr rmsd <= 8.33301 )                         
     (( attr rmsd >= 4.105108 and attr rmsd <= 4.185108 )                       
     and bondedto ( attr rmsd >= 55.23660 and attr rmsd <= 56.83660 ))
      2.5 2.5 0.2                                                               
      peak 1279 ppm1 8.273009 ppm2 4.145108 volume 38700000 weight 1.0          
REMARK dnoe: 2.883976 position 4.515575 8.08216                                 
ASSI { 1280 }                                                                   
     ( attr rmsd >= 8.02216 and attr rmsd <= 8.14216 )                          
     (( attr rmsd >= 4.475575 and attr rmsd <= 4.555575 )                       
     and bondedto ( attr rmsd >= 55.78259 and attr rmsd <= 57.38259 ))
      3.0 3.0 0.5999999                                                         
      peak 1280 ppm1 8.08216 ppm2 4.515575 volume 13200000 weight 1.0           
REMARK dnoe: 3.062274 position 4.540782 7.942225                                
ASSI { 1281 }                                                                   
     ( attr rmsd >= 7.882225 and attr rmsd <= 8.002225 )                        
     (( attr rmsd >= 4.500782 and attr rmsd <= 4.580782 )                       
     and bondedto ( attr rmsd >= 55.47000 and attr rmsd <= 57.07000 ))
      3.6 3.6 1.4                                                               
      peak 1281 ppm1 7.942225 ppm2 4.540782 volume 9210000 weight 1.0           
REMARK dnoe: 3.24126 position 4.941499 6.910384                                 
ASSI { 1283 }                                                                   
     ( attr rmsd >= 6.850384 and attr rmsd <= 6.970384 )                        
     (( attr rmsd >= 4.901499 and attr rmsd <= 4.981499 )                       
     and bondedto ( attr rmsd >= 55.47089 and attr rmsd <= 57.07089 ))
      3.6 3.6 1.4                                                               
      peak 1283 ppm1 6.910384 ppm2 4.941499 volume 0.655e+07 weight 1.0         
REMARK dnoe: 3.222669 position 4.135049 7.302888                                
ASSI { 1284 }                                                                   
     ( attr rmsd >= 7.242888 and attr rmsd <= 7.362888 )                        
     (( attr rmsd >= 4.095049 and attr rmsd <= 4.175049 )                       
     and bondedto ( attr rmsd >= 55.26876 and attr rmsd <= 56.86876 ))
      3.6 3.6 1.4                                                               
      peak 1284 ppm1 7.302888 ppm2 4.135049 volume 0.678e+07 weight 1.0         
REMARK dnoe: 3.293577 position 1.375949 9.878472                                
ASSI { 1285 }                                                                   
     ( attr rmsd >= 9.818472 and attr rmsd <= 9.938473 )                        
     (( attr rmsd >= 1.335949 and attr rmsd <= 1.415949 )                       
     and bondedto ( attr rmsd >= 27.63444 and attr rmsd <= 29.23444 ))
      3.6 3.6 1.4                                                               
      peak 1285 ppm1 9.878472 ppm2 1.375949 volume 5950001 weight 1.0           
REMARK dnoe: 3.601561 position 0.9992211 9.859224                               
ASSI { 1286 }                                                                   
     ( attr rmsd >= 9.799224 and attr rmsd <= 9.919225 )                        
     (( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )                      
     and bondedto ( attr rmsd >= 27.61082 and attr rmsd <= 29.21082 ))
      4.2 4.2 1.8                                                               
      peak 1286 ppm1 9.859224 ppm2 0.9992211 volume 3480000 weight 1.0          
REMARK dnoe: 3.155728 position 1.500392 8.783602                                
ASSI { 1287 }                                                                   
     ( attr rmsd >= 8.723601 and attr rmsd <= 8.843602 )                        
     (( attr rmsd >= 1.460392 and attr rmsd <= 1.540392 )                       
     and bondedto ( attr rmsd >= 27.60513 and attr rmsd <= 29.20513 ))
      3.6 3.6 1.4                                                               
      peak 1287 ppm1 8.783602 ppm2 1.500392 volume 7690000 weight 1.0           
REMARK dnoe: 3.312399 position 1.658389 8.762614                                
ASSI { 1288 }                                                                   
     ( attr rmsd >= 8.702614 and attr rmsd <= 8.822615 )                        
     (( attr rmsd >= 1.618389 and attr rmsd <= 1.698389 )                       
     and bondedto ( attr rmsd >= 27.65084 and attr rmsd <= 29.25084 ))
      3.6 3.6 1.4                                                               
      peak 1288 ppm1 8.762614 ppm2 1.658389 volume 5750000 weight 1.0           
REMARK dnoe: 3.637266 position 1.634073 8.01056                                 
ASSI { 1289 }                                                                   
     ( attr rmsd >= 7.95056 and attr rmsd <= 8.07056 )                          
     (( attr rmsd >= 1.594073 and attr rmsd <= 1.674073 )                       
     and bondedto ( attr rmsd >= 27.69656 and attr rmsd <= 29.29656 ))
      4.2 4.2 1.8                                                               
      peak 1289 ppm1 8.01056 ppm2 1.634073 volume 3280000 weight 1.0            
REMARK dnoe: 3.594708 position 1.507684 8.026306                                
ASSI { 1290 }                                                                   
     ( attr rmsd >= 7.966306 and attr rmsd <= 8.086307 )                        
     (( attr rmsd >= 1.467684 and attr rmsd <= 1.547684 )                       
     and bondedto ( attr rmsd >= 27.69656 and attr rmsd <= 29.29656 ))
      3.6 3.6 1.4                                                               
      peak 1290 ppm1 8.026306 ppm2 1.507684 volume 3520000 weight 1.0           
REMARK dnoe: 3.798108 position 2.14453 6.870985                                 
ASSI { 1291 }                                                                   
     ( attr rmsd >= 6.810985 and attr rmsd <= 6.930985 )                        
     (( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )                         
     and bondedto ( attr rmsd >= 27.62853 and attr rmsd <= 29.22853 ))
      4.2 4.2 1.8                                                               
      peak 1291 ppm1 6.870985 ppm2 2.14453 volume 2530000 weight 1.0            
REMARK dnoe: 3.286254 position 1.81892 6.870985                                 
ASSI { 1292 }                                                                   
     ( attr rmsd >= 6.810985 and attr rmsd <= 6.930985 )                        
     (( attr rmsd >= 1.77892 and attr rmsd <= 1.85892 )                         
     and bondedto ( attr rmsd >= 27.63050 and attr rmsd <= 29.23050 ))
      3.6 3.6 1.4                                                               
      peak 1292 ppm1 6.870985 ppm2 1.81892 volume 6030000 weight 1.0            
REMARK dnoe: 3.808209 position 2.14453 6.570168                                 
ASSI { 1293 }                                                                   
     ( attr rmsd >= 6.510168 and attr rmsd <= 6.630168 )                        
     (( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )                         
     and bondedto ( attr rmsd >= 27.69897 and attr rmsd <= 29.29897 ))
      4.2 4.2 1.8                                                               
      peak 1293 ppm1 6.570168 ppm2 2.14453 volume 2490000 weight 1.0            
REMARK dnoe: 2.790078 position 1.423269 6.119382                                
ASSI { 1294 }                                                                   
     ( attr rmsd >= 6.059382 and attr rmsd <= 6.179382 )                        
     (( attr rmsd >= 1.383269 and attr rmsd <= 1.463269 )                       
     and bondedto ( attr rmsd >= 27.35379 and attr rmsd <= 28.95379 ))
      3.0 3.0 0.5999999                                                         
      peak 1294 ppm1 6.119382 ppm2 1.423269 volume 16100000 weight 1.0          
REMARK dnoe: 3.166806 position 1.421369 5.641099                                
ASSI { 1295 }                                                                   
     ( attr rmsd >= 5.581099 and attr rmsd <= 5.701099 )                        
     (( attr rmsd >= 1.381369 and attr rmsd <= 1.461369 )                       
     and bondedto ( attr rmsd >= 27.26236 and attr rmsd <= 28.86236 ))
      3.6 3.6 1.4                                                               
      peak 1295 ppm1 5.641099 ppm2 1.421369 volume 7530000 weight 1.0           
REMARK dnoe: 2.845758 position 1.41002 5.383031                                 
ASSI { 1296 }                                                                   
     ( attr rmsd >= 5.323031 and attr rmsd <= 5.443031 )                        
     (( attr rmsd >= 1.37002 and attr rmsd <= 1.45002 )                         
     and bondedto ( attr rmsd >= 27.49094 and attr rmsd <= 29.09094 ))
      3.0 3.0 0.5999999                                                         
      peak 1296 ppm1 5.383031 ppm2 1.41002 volume 14300001 weight 1.0           
REMARK dnoe: 3.288987 position 1.654216 5.132267                                
ASSI { 1297 }                                                                   
     ( attr rmsd >= 5.072267 and attr rmsd <= 5.192267 )                        
     (( attr rmsd >= 1.614216 and attr rmsd <= 1.694216 )                       
     and bondedto ( attr rmsd >= 27.50254 and attr rmsd <= 29.10254 ))
      3.6 3.6 1.4                                                               
      peak 1297 ppm1 5.132267 ppm2 1.654216 volume 6000000 weight 1.0           
REMARK dnoe: 3.155728 position 1.498985 5.141011                                
ASSI { 1298 }                                                                   
     ( attr rmsd >= 5.081011 and attr rmsd <= 5.201011 )                        
     (( attr rmsd >= 1.458985 and attr rmsd <= 1.538985 )                       
     and bondedto ( attr rmsd >= 27.50626 and attr rmsd <= 29.10626 ))
      3.6 3.6 1.4                                                               
      peak 1298 ppm1 5.141011 ppm2 1.498985 volume 7690000 weight 1.0           
REMARK dnoe: 2.839178 position 1.378857 4.873405                                
ASSI { 1299 }                                                                   
     ( attr rmsd >= 4.813405 and attr rmsd <= 4.933405 )                        
     (( attr rmsd >= 1.338857 and attr rmsd <= 1.418857 )                       
     and bondedto ( attr rmsd >= 27.55941 and attr rmsd <= 29.15941 ))
      3.0 3.0 0.5999999                                                         
      peak 1299 ppm1 4.873405 ppm2 1.378857 volume 14500000 weight 1.0          
REMARK dnoe: 2.982062 position 1.004521 4.864662                                
ASSI { 1300 }                                                                   
     ( attr rmsd >= 4.804662 and attr rmsd <= 4.924662 )                        
     (( attr rmsd >= 0.964521 and attr rmsd <= 1.044521 )                       
     and bondedto ( attr rmsd >= 27.67359 and attr rmsd <= 29.27359 ))
      3.0 3.0 0.5999999                                                         
      peak 1300 ppm1 4.864662 ppm2 1.004521 volume 10800000 weight 1.0          
REMARK dnoe: 2.746366 position 2.14263 3.970438                                 
ASSI { 1301 }                                                                   
     ( attr rmsd >= 3.910438 and attr rmsd <= 4.030438 )                        
     (( attr rmsd >= 2.10263 and attr rmsd <= 2.18263 )                         
     and bondedto ( attr rmsd >= 27.68781 and attr rmsd <= 29.28781 ))
      3.0 3.0 0.5999999                                                         
      peak 1301 ppm1 3.970438 ppm2 2.14263 volume 17700000 weight 1.0           
REMARK dnoe: 2.7872 position 1.841641 3.970438                                  
ASSI { 1302 }                                                                   
     ( attr rmsd >= 3.910438 and attr rmsd <= 4.030438 )                        
     (( attr rmsd >= 1.801641 and attr rmsd <= 1.881641 )                       
     and bondedto ( attr rmsd >= 27.68672 and attr rmsd <= 29.28672 ))
      3.0 3.0 0.5999999                                                         
      peak 1302 ppm1 3.970438 ppm2 1.841641 volume 16200000 weight 1.0          
REMARK dnoe: 2.942544 position 2.14453 3.433508                                 
ASSI { 1303 }                                                                   
     ( attr rmsd >= 3.373508 and attr rmsd <= 3.493508 )                        
     (( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )                         
     and bondedto ( attr rmsd >= 27.67731 and attr rmsd <= 29.27731 ))
      3.0 3.0 0.5999999                                                         
      peak 1303 ppm1 3.433508 ppm2 2.14453 volume 11700000 weight 1.0           
REMARK dnoe: 3.188338 position 1.843518 3.433508                                
ASSI { 1304 }                                                                   
     ( attr rmsd >= 3.373508 and attr rmsd <= 3.493508 )                        
     (( attr rmsd >= 1.803518 and attr rmsd <= 1.883518 )                       
     and bondedto ( attr rmsd >= 27.68344 and attr rmsd <= 29.28344 ))
      3.6 3.6 1.4                                                               
      peak 1304 ppm1 3.433508 ppm2 1.843518 volume 7230000 weight 1.0           
REMARK dnoe: 2.601515 position 1.652668 3.195698                                
ASSI { 1305 }                                                                   
     ( attr rmsd >= 3.135698 and attr rmsd <= 3.255698 )                        
     (( attr rmsd >= 1.612668 and attr rmsd <= 1.692668 )                       
     and bondedto ( attr rmsd >= 27.63356 and attr rmsd <= 29.23356 ))
      3.0 3.0 0.5999999                                                         
      peak 1305 ppm1 3.195698 ppm2 1.652668 volume 24500000 weight 1.0          
REMARK dnoe: 2.684343 position 1.507356 3.196149                                
ASSI { 1306 }                                                                   
     ( attr rmsd >= 3.136149 and attr rmsd <= 3.256149 )                        
     (( attr rmsd >= 1.467356 and attr rmsd <= 1.547356 )                       
     and bondedto ( attr rmsd >= 27.62788 and attr rmsd <= 29.22788 ))
      3.0 3.0 0.5999999                                                         
      peak 1306 ppm1 3.196149 ppm2 1.507356 volume 20300000 weight 1.0          
REMARK dnoe: 2.764899 position 1.423269 2.652989                                
ASSI { 1307 }                                                                   
     ( attr rmsd >= 2.592989 and attr rmsd <= 2.712989 )                        
     (( attr rmsd >= 1.383269 and attr rmsd <= 1.463269 )                       
     and bondedto ( attr rmsd >= 27.28532 and attr rmsd <= 28.88532 ))
      3.0 3.0 0.5999999                                                         
      peak 1307 ppm1 2.652989 ppm2 1.423269 volume 17000000 weight 1.0          
REMARK dnoe: 2.849088 position 1.430843 2.468348                                
ASSI { 1308 }                                                                   
     ( attr rmsd >= 2.408348 and attr rmsd <= 2.528348 )                        
     (( attr rmsd >= 1.390843 and attr rmsd <= 1.470843 )                       
     and bondedto ( attr rmsd >= 27.35379 and attr rmsd <= 28.95379 ))
      3.0 3.0 0.5999999                                                         
      peak 1308 ppm1 2.468348 ppm2 1.430843 volume 14200000 weight 1.0          
REMARK dnoe: 2.183924 position 0.9992211 0.6638947                              
ASSI { 1309 }                                                                   
     ( attr rmsd >= 0.6038947 and attr rmsd <= 0.7238947 )                      
     (( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )                      
     and bondedto ( attr rmsd >= 27.64166 and attr rmsd <= 29.24166 ))
      2.5 2.5 0.2                                                               
      peak 1309 ppm1 0.6638947 ppm2 0.9992211 volume 70000000 weight 1.0        
REMARK dnoe: 2.349079 position 0.9973221 0.8353026                              
ASSI { 1310 }                                                                   
     ( attr rmsd >= 0.7753026 and attr rmsd <= 0.8953026 )                      
     (( attr rmsd >= 0.9573221 and attr rmsd <= 1.037322 )                      
     and bondedto ( attr rmsd >= 27.64056 and attr rmsd <= 29.24056 ))
      2.5 2.5 0.2                                                               
      peak 1310 ppm1 0.8353026 ppm2 0.9973221 volume 45200000 weight 1.0        
REMARK dnoe: 2.103794 position 0.9992211 1.372232                               
ASSI { 1311 }                                                                   
     ( attr rmsd >= 1.312232 and attr rmsd <= 1.432232 )                        
     (( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )                      
     and bondedto ( attr rmsd >= 27.63750 and attr rmsd <= 29.23750 ))
      2.5 2.5 0.2                                                               
      peak 1311 ppm1 1.372232 ppm2 0.9992211 volume 87600000 weight 1.0         
REMARK dnoe: 3.388208 position 0.9992211 1.888174                               
ASSI { 1313 }                                                                   
     ( attr rmsd >= 1.828174 and attr rmsd <= 1.948174 )                        
     (( attr rmsd >= 0.9592211 and attr rmsd <= 1.039221 )                      
     and bondedto ( attr rmsd >= 27.63444 and attr rmsd <= 29.23444 ))
      3.6 3.6 1.4                                                               
      peak 1313 ppm1 1.888174 ppm2 0.9992211 volume 0.502e+07 weight 1.0        
REMARK dnoe: 2.028537 position 1.375949 0.6557531                               
ASSI { 1314 }                                                                   
     ( attr rmsd >= 0.5957531 and attr rmsd <= 0.7157531 )                      
     (( attr rmsd >= 1.335949 and attr rmsd <= 1.415949 )                       
     and bondedto ( attr rmsd >= 27.65084 and attr rmsd <= 29.25084 ))
      2.5 2.5 0.2                                                               
      peak 1314 ppm1 0.6557531 ppm2 1.375949 volume 109000000 weight 1.0        
REMARK dnoe: 2.203227 position 1.373792 1.000566                                
ASSI { 1315 }                                                                   
     ( attr rmsd >= 0.940566 and attr rmsd <= 1.060566 )                        
     (( attr rmsd >= 1.333792 and attr rmsd <= 1.413792 )                       
     and bondedto ( attr rmsd >= 27.60513 and attr rmsd <= 29.20513 ))
      2.5 2.5 0.2                                                               
      peak 1315 ppm1 1.000566 ppm2 1.373792 volume 66399996 weight 1.0          
REMARK dnoe: 2.421199 position 1.377825 1.892642                                
ASSI { 1316 }                                                                   
     ( attr rmsd >= 1.832642 and attr rmsd <= 1.952642 )                        
     (( attr rmsd >= 1.337825 and attr rmsd <= 1.417825 )                       
     and bondedto ( attr rmsd >= 27.60513 and attr rmsd <= 29.20513 ))
      2.5 2.5 0.2                                                               
      peak 1316 ppm1 1.892642 ppm2 1.377825 volume 37700000 weight 1.0          
REMARK dnoe: 2.497449 position 1.500885 2.026113                                
ASSI { 1317 }                                                                   
     ( attr rmsd >= 1.966113 and attr rmsd <= 2.086113 )                        
     (( attr rmsd >= 1.460885 and attr rmsd <= 1.540885 )                       
     and bondedto ( attr rmsd >= 27.51369 and attr rmsd <= 29.11369 ))
      2.5 2.5 0.2                                                               
      peak 1317 ppm1 2.026113 ppm2 1.500885 volume 31300000 weight 1.0          
REMARK dnoe: 1.58118 position 1.627719 1.761385                                 
ASSI { 1318 }                                                                   
     ( attr rmsd >= 1.701385 and attr rmsd <= 1.821385 )                        
     (( attr rmsd >= 1.587719 and attr rmsd <= 1.667719 )                       
     and bondedto ( attr rmsd >= 28.19924 and attr rmsd <= 29.79924 ))
      2.5 2.5 0.2                                                               
      peak 1318 ppm1 1.761385 ppm2 1.627719 volume 486000000 weight 1.0         
REMARK dnoe: 1.719344 position 1.510358 1.661278                                
ASSI { 1319 }                                                                   
     ( attr rmsd >= 1.601278 and attr rmsd <= 1.721278 )                        
     (( attr rmsd >= 1.470358 and attr rmsd <= 1.550358 )                       
     and bondedto ( attr rmsd >= 27.55941 and attr rmsd <= 29.15941 ))
      2.5 2.5 0.2                                                               
      peak 1319 ppm1 1.661278 ppm2 1.510358 volume 294000000 weight 1.0         
REMARK dnoe: 2.493481 position 1.654216 2.0239                                  
ASSI { 1320 }                                                                   
     ( attr rmsd >= 1.9639 and attr rmsd <= 2.0839 )                            
     (( attr rmsd >= 1.614216 and attr rmsd <= 1.694216 )                       
     and bondedto ( attr rmsd >= 27.58238 and attr rmsd <= 29.18238 ))
      2.5 2.5 0.2                                                               
      peak 1320 ppm1 2.0239 ppm2 1.654216 volume 31600002 weight 1.0            
REMARK dnoe: 2.391478 position 1.83918 2.141795                                 
ASSI { 1321 }                                                                   
     ( attr rmsd >= 2.081795 and attr rmsd <= 2.201795 )                        
     (( attr rmsd >= 1.79918 and attr rmsd <= 1.87918 )                         
     and bondedto ( attr rmsd >= 27.71931 and attr rmsd <= 29.31931 ))
      2.5 2.5 0.2                                                               
      peak 1321 ppm1 2.141795 ppm2 1.83918 volume 40600000 weight 1.0           
REMARK dnoe: 2.169199 position 2.14453 1.844458                                 
ASSI { 1322 }                                                                   
     ( attr rmsd >= 1.784458 and attr rmsd <= 1.904458 )                        
     (( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )                         
     and bondedto ( attr rmsd >= 27.69109 and attr rmsd <= 29.29109 ))
      2.5 2.5 0.2                                                               
      peak 1322 ppm1 1.844458 ppm2 2.14453 volume 72900000 weight 1.0           
REMARK dnoe: 2.951012 position 2.14453 1.583855                                 
ASSI { 1323 }                                                                   
     ( attr rmsd >= 1.523855 and attr rmsd <= 1.643855 )                        
     (( attr rmsd >= 2.10453 and attr rmsd <= 2.18453 )                         
     and bondedto ( attr rmsd >= 27.71209 and attr rmsd <= 29.31209 ))
      3.0 3.0 0.5999999                                                         
      peak 1323 ppm1 1.583855 ppm2 2.14453 volume 11500000 weight 1.0           
REMARK dnoe: 2.258022 position 1.837843 1.565617                                
ASSI { 1324 }                                                                   
     ( attr rmsd >= 1.505617 and attr rmsd <= 1.625617 )                        
     (( attr rmsd >= 1.797843 and attr rmsd <= 1.877843 )                       
     and bondedto ( attr rmsd >= 27.87921 and attr rmsd <= 29.47921 ))
      2.5 2.5 0.2                                                               
      peak 1324 ppm1 1.565617 ppm2 1.837843 volume 57300000 weight 1.0          
REMARK dnoe: 2.754202 position 1.917381 0.9722526                               
ASSI { 1325 }                                                                   
     ( attr rmsd >= 0.9122526 and attr rmsd <= 1.032253 )                       
     (( attr rmsd >= 1.877381 and attr rmsd <= 1.957381 )                       
     and bondedto ( attr rmsd >= 33.36224 and attr rmsd <= 34.96224 ))
      3.0 3.0 0.5999999                                                         
      peak 1325 ppm1 0.9722526 ppm2 1.917381 volume 17400000 weight 1.0         
REMARK dnoe: 3.185407 position 2.149289 0.1040864                               
ASSI { 1326 }                                                                   
     ( attr rmsd >= 0.0440864 and attr rmsd <= 0.1640864 )                      
     (( attr rmsd >= 2.109289 and attr rmsd <= 2.189289 )                       
     and bondedto ( attr rmsd >= 27.70378 and attr rmsd <= 29.30378 ))
      3.6 3.6 1.4                                                               
      peak 1326 ppm1 0.1040864 ppm2 2.149289 volume 7270000 weight 1.0          
REMARK dnoe: 3.077498 position 1.848677 0.1130443                               
ASSI { 1327 }                                                                   
     ( attr rmsd >= 0.0530443 and attr rmsd <= 0.1730443 )                      
     (( attr rmsd >= 1.808677 and attr rmsd <= 1.888677 )                       
     and bondedto ( attr rmsd >= 27.69219 and attr rmsd <= 29.29219 ))
      3.6 3.6 1.4                                                               
      peak 1327 ppm1 0.1130443 ppm2 1.848677 volume 8940000 weight 1.0          
REMARK dnoe: 2.500118 position 5.497164 9.212927                                
ASSI { 1328 }                                                                   
     ( attr rmsd >= 9.152926 and attr rmsd <= 9.272927 )                        
     (( attr rmsd >= 5.457164 and attr rmsd <= 5.537164 )                       
     and bondedto ( attr rmsd >= 55.20839 and attr rmsd <= 56.80839 ))
      3.0 3.0 0.5999999                                                         
      peak 1328 ppm1 9.212927 ppm2 5.497164 volume 31099998 weight 1.0          
REMARK dnoe: 3.271062 position 5.500799 8.589445                                
ASSI { 1329 }                                                                   
     ( attr rmsd >= 8.529445 and attr rmsd <= 8.649446 )                        
     (( attr rmsd >= 5.460799 and attr rmsd <= 5.540799 )                       
     and bondedto ( attr rmsd >= 55.25191 and attr rmsd <= 56.85191 ))
      3.6 3.6 1.4                                                               
      peak 1329 ppm1 8.589445 ppm2 5.500799 volume 6200000 weight 1.0           
REMARK dnoe: 3.303837 position 5.49904 8.355631                                 
ASSI { 1330 }                                                                   
     ( attr rmsd >= 8.29563 and attr rmsd <= 8.415631 )                         
     (( attr rmsd >= 5.45904 and attr rmsd <= 5.53904 )                         
     and bondedto ( attr rmsd >= 55.20226 and attr rmsd <= 56.80226 ))
      3.6 3.6 1.4                                                               
      peak 1330 ppm1 8.355631 ppm2 5.49904 volume 5840000 weight 1.0            
REMARK dnoe: 2.807795 position 4.935543 8.015436                                
ASSI { 1331 }                                                                   
     ( attr rmsd >= 7.955436 and attr rmsd <= 8.075437 )                        
     (( attr rmsd >= 4.895543 and attr rmsd <= 4.975543 )                       
     and bondedto ( attr rmsd >= 55.39388 and attr rmsd <= 56.99388 ))
      3.0 3.0 0.5999999                                                         
      peak 1331 ppm1 8.015436 ppm2 4.935543 volume 15500000 weight 1.0          
REMARK dnoe: 2.33384 position 4.134556 7.81797                                  
ASSI { 1332 }                                                                   
     ( attr rmsd >= 7.75797 and attr rmsd <= 7.87797 )                          
     (( attr rmsd >= 4.094556 and attr rmsd <= 4.174556 )                       
     and bondedto ( attr rmsd >= 54.77724 and attr rmsd <= 56.37724 ))
      2.5 2.5 0.2                                                               
      peak 1332 ppm1 7.81797 ppm2 4.134556 volume 47000000 weight 1.0           
REMARK dnoe: 3.149615 position 4.141942 8.087553                                
ASSI { 1333 }                                                                   
     ( attr rmsd >= 8.027553 and attr rmsd <= 8.147553 )                        
     (( attr rmsd >= 4.101942 and attr rmsd <= 4.181942 )                       
     and bondedto ( attr rmsd >= 55.19351 and attr rmsd <= 56.79351 ))
      3.6 3.6 1.4                                                               
      peak 1333 ppm1 8.087553 ppm2 4.141942 volume 7780000 weight 1.0           
REMARK dnoe: 2.855832 position 5.502393 6.853799                                
ASSI { 1334 }                                                                   
     ( attr rmsd >= 6.793799 and attr rmsd <= 6.913799 )                        
     (( attr rmsd >= 5.462393 and attr rmsd <= 5.542393 )                       
     and bondedto ( attr rmsd >= 55.18520 and attr rmsd <= 56.78520 ))
      3.0 3.0 0.5999999                                                         
      peak 1334 ppm1 6.853799 ppm2 5.502393 volume 14000000 weight 1.0          
REMARK dnoe: 2.673479 position 5.499931 4.736606                                
ASSI { 1335 }                                                                   
     ( attr rmsd >= 4.676606 and attr rmsd <= 4.796606 )                        
     (( attr rmsd >= 5.459931 and attr rmsd <= 5.539931 )                       
     and bondedto ( attr rmsd >= 55.23157 and attr rmsd <= 56.83157 ))
      3.0 3.0 0.5999999                                                         
      peak 1335 ppm1 4.736606 ppm2 5.499931 volume 20800000 weight 1.0          
REMARK dnoe: 2.463244 position 4.940467 3.30268                                 
ASSI { 1336 }                                                                   
     ( attr rmsd >= 3.24268 and attr rmsd <= 3.36268 )                          
     (( attr rmsd >= 4.900467 and attr rmsd <= 4.980467 )                       
     and bondedto ( attr rmsd >= 55.34357 and attr rmsd <= 56.94357 ))
      2.5 2.5 0.2                                                               
      peak 1336 ppm1 3.30268 ppm2 4.940467 volume 34000000 weight 1.0           
REMARK dnoe: 2.328911 position 4.940467 3.121326                                
ASSI { 1337 }                                                                   
     ( attr rmsd >= 3.061326 and attr rmsd <= 3.181326 )                        
     (( attr rmsd >= 4.900467 and attr rmsd <= 4.980467 )                       
     and bondedto ( attr rmsd >= 55.36829 and attr rmsd <= 56.96829 ))
      2.5 2.5 0.2                                                               
      peak 1337 ppm1 3.121326 ppm2 4.940467 volume 47600000 weight 1.0          
REMARK dnoe: 2.515169 position 5.502393 2.672044                                
ASSI { 1338 }                                                                   
     ( attr rmsd >= 2.612044 and attr rmsd <= 2.732044 )                        
     (( attr rmsd >= 5.462393 and attr rmsd <= 5.542393 )                       
     and bondedto ( attr rmsd >= 55.16201 and attr rmsd <= 56.76201 ))
      3.0 3.0 0.5999999                                                         
      peak 1338 ppm1 2.672044 ppm2 5.502393 volume 30000002 weight 1.0          
REMARK dnoe: 2.642631 position 4.235316 1.322071                                
ASSI { 1341 }                                                                   
     ( attr rmsd >= 1.262071 and attr rmsd <= 1.382071 )                        
     (( attr rmsd >= 4.195316 and attr rmsd <= 4.275316 )                       
     and bondedto ( attr rmsd >= 55.42932 and attr rmsd <= 57.02932 ))
      3.0 3.0 0.5999999                                                         
      peak 1341 ppm1 1.322071 ppm2 4.235316 volume 22300000 weight 1.0          
REMARK dnoe: 2.228548 position 4.141521 1.636315                                
ASSI { 1342 }                                                                   
     ( attr rmsd >= 1.576315 and attr rmsd <= 1.696315 )                        
     (( attr rmsd >= 4.101521 and attr rmsd <= 4.181521 )                       
     and bondedto ( attr rmsd >= 55.22566 and attr rmsd <= 56.82566 ))
      2.5 2.5 0.2                                                               
      peak 1342 ppm1 1.636315 ppm2 4.141521 volume 62000000 weight 1.0          
REMARK dnoe: 2.349079 position 4.145554 1.762932                                
ASSI { 1343 }                                                                   
     ( attr rmsd >= 1.702932 and attr rmsd <= 1.822932 )                        
     (( attr rmsd >= 4.105554 and attr rmsd <= 4.185554 )                       
     and bondedto ( attr rmsd >= 55.22566 and attr rmsd <= 56.82566 ))
      2.5 2.5 0.2                                                               
      peak 1343 ppm1 1.762932 ppm2 4.145554 volume 45200000 weight 1.0          
REMARK dnoe: 2.619646 position 4.337177 1.805296                                
ASSI { 1344 }                                                                   
     ( attr rmsd >= 1.745296 and attr rmsd <= 1.865296 )                        
     (( attr rmsd >= 4.297177 and attr rmsd <= 4.377177 )                       
     and bondedto ( attr rmsd >= 55.26220 and attr rmsd <= 56.86220 ))
      3.0 3.0 0.5999999                                                         
      peak 1344 ppm1 1.805296 ppm2 4.337177 volume 23500000 weight 1.0          
REMARK dnoe: 2.751573 position 4.337177 1.549849                                
ASSI { 1345 }                                                                   
     ( attr rmsd >= 1.489849 and attr rmsd <= 1.609849 )                        
     (( attr rmsd >= 4.297177 and attr rmsd <= 4.377177 )                       
     and bondedto ( attr rmsd >= 55.17514 and attr rmsd <= 56.77514 ))
      3.0 3.0 0.5999999                                                         
      peak 1345 ppm1 1.549849 ppm2 4.337177 volume 17500000 weight 1.0          
REMARK dnoe: 2.284707 position 4.236324 1.738872                                
ASSI { 1346 }                                                                   
     ( attr rmsd >= 1.678872 and attr rmsd <= 1.798872 )                        
     (( attr rmsd >= 4.196324 and attr rmsd <= 4.276324 )                       
     and bondedto ( attr rmsd >= 55.44003 and attr rmsd <= 57.04003 ))
      2.5 2.5 0.2                                                               
      peak 1346 ppm1 1.738872 ppm2 4.236324 volume 53399996 weight 1.0          
REMARK dnoe: 2.736156 position 4.339194 1.684285                                
ASSI { 1347 }                                                                   
     ( attr rmsd >= 1.624285 and attr rmsd <= 1.744285 )                        
     (( attr rmsd >= 4.299194 and attr rmsd <= 4.379194 )                       
     and bondedto ( attr rmsd >= 55.18542 and attr rmsd <= 56.78542 ))
      3.0 3.0 0.5999999                                                         
      peak 1347 ppm1 1.684285 ppm2 4.339194 volume 18100000 weight 1.0          
REMARK dnoe: 2.435401 position 4.118423 1.088923                                
ASSI { 1348 }                                                                   
     ( attr rmsd >= 1.028923 and attr rmsd <= 1.148923 )                        
     (( attr rmsd >= 4.078423 and attr rmsd <= 4.158423 )                       
     and bondedto ( attr rmsd >= 54.73831 and attr rmsd <= 56.33831 ))
      2.5 2.5 0.2                                                               
      peak 1348 ppm1 1.088923 ppm2 4.118423 volume 36400000 weight 1.0          
REMARK dnoe: 2.991367 position 1.789304 7.164069                                
ASSI { 1349 }                                                                   
     ( attr rmsd >= 7.104069 and attr rmsd <= 7.224069 )                        
     (( attr rmsd >= 1.749304 and attr rmsd <= 1.829304 )                       
     and bondedto ( attr rmsd >= 27.28883 and attr rmsd <= 28.88883 ))
      3.0 3.0 0.5999999                                                         
      peak 1349 ppm1 7.164069 ppm2 1.789304 volume 10600000 weight 1.0          
REMARK dnoe: 2.826331 position 1.418533 7.213457                                
ASSI { 1350 }                                                                   
     ( attr rmsd >= 7.153457 and attr rmsd <= 7.273457 )                        
     (( attr rmsd >= 1.378533 and attr rmsd <= 1.458533 )                       
     and bondedto ( attr rmsd >= 27.38223 and attr rmsd <= 28.98223 ))
      3.0 3.0 0.5999999                                                         
      peak 1350 ppm1 7.213457 ppm2 1.418533 volume 14900000 weight 1.0          
REMARK dnoe: 2.977485 position 1.419071 9.31731                                 
ASSI { 1351 }                                                                   
     ( attr rmsd >= 9.25731 and attr rmsd <= 9.377311 )                         
     (( attr rmsd >= 1.379071 and attr rmsd <= 1.459071 )                       
     and bondedto ( attr rmsd >= 27.45113 and attr rmsd <= 29.05113 ))
      3.0 3.0 0.5999999                                                         
      peak 1351 ppm1 9.31731 ppm2 1.419071 volume 10900000 weight 1.0           
REMARK dnoe: 3.085604 position 1.275401 8.333181                                
ASSI { 1352 }                                                                   
     ( attr rmsd >= 8.273181 and attr rmsd <= 8.393182 )                        
     (( attr rmsd >= 1.235401 and attr rmsd <= 1.315401 )                       
     and bondedto ( attr rmsd >= 27.12652 and attr rmsd <= 28.72652 ))
      3.6 3.6 1.4                                                               
      peak 1352 ppm1 8.333181 ppm2 1.275401 volume 8800000 weight 1.0           
REMARK dnoe: 3.339058 position 0.8863153 8.333181                               
ASSI { 1353 }                                                                   
     ( attr rmsd >= 8.273181 and attr rmsd <= 8.393182 )                        
     (( attr rmsd >= 0.8463153 and attr rmsd <= 0.9263153 )                     
     and bondedto ( attr rmsd >= 27.10333 and attr rmsd <= 28.70333 ))
      3.6 3.6 1.4                                                               
      peak 1353 ppm1 8.333181 ppm2 0.8863153 volume 5480000 weight 1.0          
REMARK dnoe: 2.996096 position 1.469955 6.869202                                
ASSI { 1354 }                                                                   
     ( attr rmsd >= 6.809202 and attr rmsd <= 6.929202 )                        
     (( attr rmsd >= 1.429955 and attr rmsd <= 1.509955 )                       
     and bondedto ( attr rmsd >= 26.89465 and attr rmsd <= 28.49465 ))
      3.0 3.0 0.5999999                                                         
      peak 1354 ppm1 6.869202 ppm2 1.469955 volume 10500000 weight 1.0          
REMARK dnoe: 2.891324 position 1.795729 0.5400276                               
ASSI { 1355 }                                                                   
     ( attr rmsd >= 0.4800276 and attr rmsd <= 0.6000276 )                      
     (( attr rmsd >= 1.755729 and attr rmsd <= 1.835729 )                       
     and bondedto ( attr rmsd >= 27.03377 and attr rmsd <= 28.63377 ))
      3.0 3.0 0.5999999                                                         
      peak 1355 ppm1 0.5400276 ppm2 1.795729 volume 13000000 weight 1.0         
REMARK dnoe: 2.762197 position 1.791743 0.9396639                               
ASSI { 1356 }                                                                   
     ( attr rmsd >= 0.8796639 and attr rmsd <= 0.9996639 )                      
     (( attr rmsd >= 1.751743 and attr rmsd <= 1.831743 )                       
     and bondedto ( attr rmsd >= 27.19608 and attr rmsd <= 28.79608 ))
      3.0 3.0 0.5999999                                                         
      peak 1356 ppm1 0.9396639 ppm2 1.791743 volume 17100000 weight 1.0         
REMARK dnoe: 3.154362 position 1.791743 1.095454                                
ASSI { 1357 }                                                                   
     ( attr rmsd >= 1.035454 and attr rmsd <= 1.155454 )                        
     (( attr rmsd >= 1.751743 and attr rmsd <= 1.831743 )                       
     and bondedto ( attr rmsd >= 27.24245 and attr rmsd <= 28.84245 ))
      3.6 3.6 1.4                                                               
      peak 1357 ppm1 1.095454 ppm2 1.791743 volume 7710001 weight 1.0           
REMARK dnoe: 1.774814 position 1.955533 2.210839                                
ASSI { 1358 }                                                                   
     ( attr rmsd >= 2.150839 and attr rmsd <= 2.270839 )                        
     (( attr rmsd >= 1.915533 and attr rmsd <= 1.995533 )                       
     and bondedto ( attr rmsd >= 26.80190 and attr rmsd <= 28.40190 ))
      2.5 2.5 0.2                                                               
      peak 1358 ppm1 2.210839 ppm2 1.955533 volume 243000000 weight 1.0         
REMARK dnoe: 2.127952 position 1.280395 0.6484056                               
ASSI { 1359 }                                                                   
     ( attr rmsd >= 0.5884056 and attr rmsd <= 0.7084056 )                      
     (( attr rmsd >= 1.240395 and attr rmsd <= 1.320395 )                       
     and bondedto ( attr rmsd >= 26.91783 and attr rmsd <= 28.51783 ))
      2.5 2.5 0.2                                                               
      peak 1359 ppm1 0.6484056 ppm2 1.280395 volume 81800000 weight 1.0         
REMARK dnoe: 1.988092 position 1.278379 0.8809526                               
ASSI { 1360 }                                                                   
     ( attr rmsd >= 0.8209526 and attr rmsd <= 0.9409526 )                      
     (( attr rmsd >= 1.238379 and attr rmsd <= 1.318379 )                       
     and bondedto ( attr rmsd >= 26.98740 and attr rmsd <= 28.58740 ))
      2.5 2.5 0.2                                                               
      peak 1360 ppm1 0.8809526 ppm2 1.278379 volume 123000000 weight 1.0        
REMARK dnoe: 2.361429 position 1.280395 1.723147                                
ASSI { 1361 }                                                                   
     ( attr rmsd >= 1.663147 and attr rmsd <= 1.783147 )                        
     (( attr rmsd >= 1.240395 and attr rmsd <= 1.320395 )                       
     and bondedto ( attr rmsd >= 26.94102 and attr rmsd <= 28.54102 ))
      2.5 2.5 0.2                                                               
      peak 1361 ppm1 1.723147 ppm2 1.280395 volume 43800000 weight 1.0          
REMARK dnoe: 2.349079 position 0.8828919 0.6280837                              
ASSI { 1363 }                                                                   
     ( attr rmsd >= 0.5680837 and attr rmsd <= 0.6880837 )                      
     (( attr rmsd >= 0.8428919 and attr rmsd <= 0.9228919 )                     
     and bondedto ( attr rmsd >= 26.98740 and attr rmsd <= 28.58740 ))
      2.5 2.5 0.2                                                               
      peak 1363 ppm1 0.6280837 ppm2 0.8828919 volume 45200000 weight 1.0        
REMARK dnoe: 2.23035 position 0.8848848 1.276078                                
ASSI { 1364 }                                                                   
     ( attr rmsd >= 1.216078 and attr rmsd <= 1.336078 )                        
     (( attr rmsd >= 0.8448848 and attr rmsd <= 0.9248848 )                     
     and bondedto ( attr rmsd >= 27.01058 and attr rmsd <= 28.61058 ))
      2.5 2.5 0.2                                                               
      peak 1364 ppm1 1.276078 ppm2 0.8848848 volume 61700000 weight 1.0         
REMARK dnoe: 2.7872 position 0.8948746 1.722459                                 
ASSI { 1365 }                                                                   
     ( attr rmsd >= 1.662459 and attr rmsd <= 1.782459 )                        
     (( attr rmsd >= 0.8548746 and attr rmsd <= 0.9348746 )                     
     and bondedto ( attr rmsd >= 26.97777 and attr rmsd <= 28.57777 ))
      3.0 3.0 0.5999999                                                         
      peak 1365 ppm1 1.722459 ppm2 0.8948746 volume 16200000 weight 1.0         
REMARK dnoe: 1.754924 position 1.627954 1.766026                                
ASSI { 1366 }                                                                   
     ( attr rmsd >= 1.706026 and attr rmsd <= 1.826026 )                        
     (( attr rmsd >= 1.587954 and attr rmsd <= 1.667954 )                       
     and bondedto ( attr rmsd >= 26.47729 and attr rmsd <= 28.07729 ))
      2.5 2.5 0.2                                                               
      peak 1366 ppm1 1.766026 ppm2 1.627954 volume 259999984 weight 1.0         
REMARK dnoe: 2.539742 position 5.147426 8.018681                                
ASSI { 1367 }                                                                   
     ( attr rmsd >= 7.958681 and attr rmsd <= 8.078681 )                        
     (( attr rmsd >= 5.107426 and attr rmsd <= 5.187426 )                       
     and bondedto ( attr rmsd >= 54.47341 and attr rmsd <= 56.07341 ))
      3.0 3.0 0.5999999                                                         
      peak 1367 ppm1 8.018681 ppm2 5.147426 volume 28300000 weight 1.0          
REMARK dnoe: 2.512385 position 4.418756 8.605685                                
ASSI { 1368 }                                                                   
     ( attr rmsd >= 8.545685 and attr rmsd <= 8.665686 )                        
     (( attr rmsd >= 4.378756 and attr rmsd <= 4.458756 )                       
     and bondedto ( attr rmsd >= 54.58715 and attr rmsd <= 56.18715 ))
      3.0 3.0 0.5999999                                                         
      peak 1368 ppm1 8.605685 ppm2 4.418756 volume 30199998 weight 1.0          
REMARK dnoe: 2.891324 position 4.120205 -0.0517254                              
ASSI { 1369 }                                                                   
     ( attr rmsd >= -0.1117254 and attr rmsd <= 0.0082746 )                     
     (( attr rmsd >= 4.080205 and attr rmsd <= 4.160205 )                       
     and bondedto ( attr rmsd >= 54.81443 and attr rmsd <= 56.41443 ))
      3.0 3.0 0.5999999                                                         
      peak 1369 ppm1 -0.0517254 ppm2 4.120205 volume 13000000 weight 1.0        
REMARK dnoe: 2.197745 position 4.10698 0.6261072                                
ASSI { 1370 }                                                                   
     ( attr rmsd >= 0.5661072 and attr rmsd <= 0.6861072 )                      
     (( attr rmsd >= 4.06698 and attr rmsd <= 4.14698 )                         
     and bondedto ( attr rmsd >= 54.76915 and attr rmsd <= 56.36915 ))
      2.5 2.5 0.2                                                               
      peak 1370 ppm1 0.6261072 ppm2 4.10698 volume 67400000 weight 1.0          
REMARK dnoe: 2.991367 position 4.132118 8.42285                                 
ASSI { 1371 }                                                                   
     ( attr rmsd >= 8.362849 and attr rmsd <= 8.48285 )                         
     (( attr rmsd >= 4.092118 and attr rmsd <= 4.172118 )                       
     and bondedto ( attr rmsd >= 54.75931 and attr rmsd <= 56.35931 ))
      3.0 3.0 0.5999999                                                         
      peak 1371 ppm1 8.42285 ppm2 4.132118 volume 10600000 weight 1.0           
REMARK dnoe: 3.388208 position 4.065969 7.448775                                
ASSI { 1372 }                                                                   
     ( attr rmsd >= 7.388775 and attr rmsd <= 7.508775 )                        
     (( attr rmsd >= 4.025969 and attr rmsd <= 4.105969 )                       
     and bondedto ( attr rmsd >= 54.69456 and attr rmsd <= 56.29456 ))
      3.6 3.6 1.4                                                               
      peak 1372 ppm1 7.448775 ppm2 4.065969 volume 0.502e+07 weight 1.0         
REMARK dnoe: 2.880351 position 1.042461 9.126847                                
ASSI { 1373 }                                                                   
     ( attr rmsd >= 9.066847 and attr rmsd <= 9.186848 )                        
     (( attr rmsd >= 1.002461 and attr rmsd <= 1.082461 )                       
     and bondedto ( attr rmsd >= 26.98652 and attr rmsd <= 28.58652 ))
      3.0 3.0 0.5999999                                                         
      peak 1373 ppm1 9.126847 ppm2 1.042461 volume 13300000 weight 1.0          
REMARK dnoe: 3.058962 position 0.8848147 4.252007                               
ASSI { 1374 }                                                                   
     ( attr rmsd >= 4.192007 and attr rmsd <= 4.312007 )                        
     (( attr rmsd >= 0.8448147 and attr rmsd <= 0.9248147 )                     
     and bondedto ( attr rmsd >= 27.03399 and attr rmsd <= 28.63399 ))
      3.6 3.6 1.4                                                               
      peak 1374 ppm1 4.252007 ppm2 0.8848147 volume 9270000 weight 1.0          
REMARK dnoe: 2.842455 position 1.283936 4.271341                                
ASSI { 1375 }                                                                   
     ( attr rmsd >= 4.211341 and attr rmsd <= 4.331341 )                        
     (( attr rmsd >= 1.243936 and attr rmsd <= 1.323936 )                       
     and bondedto ( attr rmsd >= 27.05674 and attr rmsd <= 28.65674 ))
      3.0 3.0 0.5999999                                                         
      peak 1375 ppm1 4.271341 ppm2 1.283936 volume 14399999 weight 1.0          
REMARK dnoe: 2.384674 position 1.93947 4.33813                                  
ASSI { 1376 }                                                                   
     ( attr rmsd >= 4.27813 and attr rmsd <= 4.39813 )                          
     (( attr rmsd >= 1.89947 and attr rmsd <= 1.97947 )                         
     and bondedto ( attr rmsd >= 26.69297 and attr rmsd <= 28.29297 ))
      2.5 2.5 0.2                                                               
      peak 1376 ppm1 4.33813 ppm2 1.93947 volume 41300000 weight 1.0            
REMARK dnoe: 2.498781 position 2.073104 3.926785                                
ASSI { 1377 }                                                                   
     ( attr rmsd >= 3.866785 and attr rmsd <= 3.986785 )                        
     (( attr rmsd >= 2.033104 and attr rmsd <= 2.113104 )                       
     and bondedto ( attr rmsd >= 26.96596 and attr rmsd <= 28.56596 ))
      2.5 2.5 0.2                                                               
      peak 1377 ppm1 3.926785 ppm2 2.073104 volume 31200000 weight 1.0          
REMARK dnoe: 2.449046 position 1.961653 3.926785                                
ASSI { 1378 }                                                                   
     ( attr rmsd >= 3.866785 and attr rmsd <= 3.986785 )                        
     (( attr rmsd >= 1.921653 and attr rmsd <= 2.001653 )                       
     and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
      2.5 2.5 0.2                                                               
      peak 1378 ppm1 3.926785 ppm2 1.961653 volume 35200000 weight 1.0          
REMARK dnoe: 2.58762 position 2.068274 3.671875                                 
ASSI { 1379 }                                                                   
     ( attr rmsd >= 3.611875 and attr rmsd <= 3.731875 )                        
     (( attr rmsd >= 2.028274 and attr rmsd <= 2.108274 )                       
     and bondedto ( attr rmsd >= 26.80671 and attr rmsd <= 28.40671 ))
      3.0 3.0 0.5999999                                                         
      peak 1379 ppm1 3.671875 ppm2 2.068274 volume 25300000 weight 1.0          
REMARK dnoe: 2.121093 position 1.934992 3.692971                                
ASSI { 1380 }                                                                   
     ( attr rmsd >= 3.632971 and attr rmsd <= 3.752971 )                        
     (( attr rmsd >= 1.894992 and attr rmsd <= 1.974992 )                       
     and bondedto ( attr rmsd >= 26.69297 and attr rmsd <= 28.29297 ))
      2.5 2.5 0.2                                                               
      peak 1380 ppm1 3.692971 ppm2 1.934992 volume 83400000 weight 1.0          
REMARK dnoe: 2.360532 position 1.908353 3.8125                                  
ASSI { 1381 }                                                                   
     ( attr rmsd >= 3.7525 and attr rmsd <= 3.8725 )                            
     (( attr rmsd >= 1.868353 and attr rmsd <= 1.948353 )                       
     and bondedto ( attr rmsd >= 26.80671 and attr rmsd <= 28.40671 ))
      2.5 2.5 0.2                                                               
      peak 1381 ppm1 3.8125 ppm2 1.908353 volume 43900000 weight 1.0            
REMARK dnoe: 2.182886 position 1.933748 3.58397                                 
ASSI { 1382 }                                                                   
     ( attr rmsd >= 3.52397 and attr rmsd <= 3.64397 )                          
     (( attr rmsd >= 1.893748 and attr rmsd <= 1.973748 )                       
     and bondedto ( attr rmsd >= 26.68619 and attr rmsd <= 28.28619 ))
      2.5 2.5 0.2                                                               
      peak 1382 ppm1 3.58397 ppm2 1.933748 volume 70200000 weight 1.0           
REMARK dnoe: 2.413786 position 2.003227 3.541779                                
ASSI { 1383 }                                                                   
     ( attr rmsd >= 3.481779 and attr rmsd <= 3.601779 )                        
     (( attr rmsd >= 1.963227 and attr rmsd <= 2.043227 )                       
     and bondedto ( attr rmsd >= 26.69165 and attr rmsd <= 28.29165 ))
      2.5 2.5 0.2                                                               
      peak 1383 ppm1 3.541779 ppm2 2.003227 volume 38400000 weight 1.0          
REMARK dnoe: 3.02359 position 2.072495 4.740709                                 
ASSI { 1384 }                                                                   
     ( attr rmsd >= 4.680709 and attr rmsd <= 4.800709 )                        
     (( attr rmsd >= 2.032495 and attr rmsd <= 2.112495 )                       
     and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
      3.6 3.6 1.4                                                               
      peak 1384 ppm1 4.740709 ppm2 2.072495 volume 9940000 weight 1.0           
REMARK dnoe: 2.883976 position 1.9564 4.758303                                  
ASSI { 1385 }                                                                   
     ( attr rmsd >= 4.698303 and attr rmsd <= 4.818303 )                        
     (( attr rmsd >= 1.9164 and attr rmsd <= 1.9964 )                           
     and bondedto ( attr rmsd >= 26.87496 and attr rmsd <= 28.47496 ))
      3.0 3.0 0.5999999                                                         
      peak 1385 ppm1 4.758303 ppm2 1.9564 volume 13200000 weight 1.0            
REMARK dnoe: 2.700088 position 1.363755 4.744232                                
ASSI { 1386 }                                                                   
     ( attr rmsd >= 4.684232 and attr rmsd <= 4.804232 )                        
     (( attr rmsd >= 1.323755 and attr rmsd <= 1.403755 )                       
     and bondedto ( attr rmsd >= 26.92046 and attr rmsd <= 28.52046 ))
      3.0 3.0 0.5999999                                                         
      peak 1386 ppm1 4.744232 ppm2 1.363755 volume 19600000 weight 1.0          
REMARK dnoe: 2.754202 position 1.296036 4.723136                                
ASSI { 1387 }                                                                   
     ( attr rmsd >= 4.663136 and attr rmsd <= 4.783136 )                        
     (( attr rmsd >= 1.256036 and attr rmsd <= 1.336036 )                       
     and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
      3.0 3.0 0.5999999                                                         
      peak 1387 ppm1 4.723136 ppm2 1.296036 volume 17400000 weight 1.0          
REMARK dnoe: 2.695524 position 1.044454 4.744232                                
ASSI { 1388 }                                                                   
     ( attr rmsd >= 4.684232 and attr rmsd <= 4.804232 )                        
     (( attr rmsd >= 1.004454 and attr rmsd <= 1.084454 )                       
     and bondedto ( attr rmsd >= 26.85221 and attr rmsd <= 28.45221 ))
      3.0 3.0 0.5999999                                                         
      peak 1388 ppm1 4.744232 ppm2 1.044454 volume 19800000 weight 1.0          
REMARK dnoe: 2.044475 position 1.355338 1.041103                                
ASSI { 1389 }                                                                   
     ( attr rmsd >= 0.981103 and attr rmsd <= 1.101103 )                        
     (( attr rmsd >= 1.315338 and attr rmsd <= 1.395338 )                       
     and bondedto ( attr rmsd >= 26.92046 and attr rmsd <= 28.52046 ))
      2.5 2.5 0.2                                                               
      peak 1389 ppm1 1.041103 ppm2 1.355338 volume 104000000 weight 1.0         
REMARK dnoe: 2.183405 position 1.455324 0.7104259                               
ASSI { 1390 }                                                                   
     ( attr rmsd >= 0.6504259 and attr rmsd <= 0.7704259 )                      
     (( attr rmsd >= 1.415324 and attr rmsd <= 1.495324 )                       
     and bondedto ( attr rmsd >= 26.98083 and attr rmsd <= 28.58083 ))
      2.5 2.5 0.2                                                               
      peak 1390 ppm1 0.7104259 ppm2 1.455324 volume 70100000 weight 1.0         
REMARK dnoe: 2.104596 position 1.357847 0.6865802                               
ASSI { 1391 }                                                                   
     ( attr rmsd >= 0.6265802 and attr rmsd <= 0.7465802 )                      
     (( attr rmsd >= 1.317847 and attr rmsd <= 1.397847 )                       
     and bondedto ( attr rmsd >= 26.89771 and attr rmsd <= 28.49771 ))
      2.5 2.5 0.2                                                               
      peak 1391 ppm1 0.6865802 ppm2 1.357847 volume 87400000 weight 1.0         
REMARK dnoe: 2.209934 position 1.037841 0.6845822                               
ASSI { 1392 }                                                                   
     ( attr rmsd >= 0.6245822 and attr rmsd <= 0.7445822 )                      
     (( attr rmsd >= 0.9978409 and attr rmsd <= 1.077841 )                      
     and bondedto ( attr rmsd >= 26.85987 and attr rmsd <= 28.45987 ))
      2.5 2.5 0.2                                                               
      peak 1392 ppm1 0.6845822 ppm2 1.037841 volume 65200000 weight 1.0         
REMARK dnoe: 2.895048 position 1.364787 9.171101                                
ASSI { 1393 }                                                                   
     ( attr rmsd >= 9.1111 and attr rmsd <= 9.231101 )                          
     (( attr rmsd >= 1.324787 and attr rmsd <= 1.404787 )                       
     and bondedto ( attr rmsd >= 26.81218 and attr rmsd <= 28.41218 ))
      3.0 3.0 0.5999999                                                         
      peak 1393 ppm1 9.171101 ppm2 1.364787 volume 12899999 weight 1.0          
REMARK dnoe: 3.355589 position 0.9746003 7.967875                               
ASSI { 1394 }                                                                   
     ( attr rmsd >= 7.907875 and attr rmsd <= 8.027875 )                        
     (( attr rmsd >= 0.9346003 and attr rmsd <= 1.0146 )                        
     and bondedto ( attr rmsd >= 26.76121 and attr rmsd <= 28.36121 ))
      3.6 3.6 1.4                                                               
      peak 1394 ppm1 7.967875 ppm2 0.9746003 volume 5320000 weight 1.0          
REMARK dnoe: 3.472744 position 1.26717 7.967875                                 
ASSI { 1395 }                                                                   
     ( attr rmsd >= 7.907875 and attr rmsd <= 8.027875 )                        
     (( attr rmsd >= 1.22717 and attr rmsd <= 1.30717 )                         
     and bondedto ( attr rmsd >= 26.80671 and attr rmsd <= 28.40671 ))
      3.6 3.6 1.4                                                               
      peak 1395 ppm1 7.967875 ppm2 1.26717 volume 4330000 weight 1.0            
REMARK dnoe: 3.118973 position 1.629782 8.263106                                
ASSI { 1396 }                                                                   
     ( attr rmsd >= 8.203106 and attr rmsd <= 8.323107 )                        
     (( attr rmsd >= 1.589782 and attr rmsd <= 1.669782 )                       
     and bondedto ( attr rmsd >= 26.44294 and attr rmsd <= 28.04294 ))
      3.6 3.6 1.4                                                               
      peak 1396 ppm1 8.263106 ppm2 1.629782 volume 8250000 weight 1.0           
REMARK dnoe: 3.212484 position 1.629782 8.074943                                
ASSI { 1397 }                                                                   
     ( attr rmsd >= 8.014942 and attr rmsd <= 8.134943 )                        
     (( attr rmsd >= 1.589782 and attr rmsd <= 1.669782 )                       
     and bondedto ( attr rmsd >= 26.44294 and attr rmsd <= 28.04294 ))
      3.6 3.6 1.4                                                               
      peak 1397 ppm1 8.074943 ppm2 1.629782 volume 6910000 weight 1.0           
REMARK dnoe: 4.046501 position 2.008315 7.733222                                
ASSI { 1398 }                                                                   
     ( attr rmsd >= 7.673222 and attr rmsd <= 7.793222 )                        
     (( attr rmsd >= 1.968315 and attr rmsd <= 2.048315 )                       
     and bondedto ( attr rmsd >= 26.75028 and attr rmsd <= 28.35028 ))
      4.2 4.2 1.8                                                               
      peak 1398 ppm1 7.733222 ppm2 2.008315 volume 0.173e+07 weight 1.0         
REMARK dnoe: 2.849088 position 1.465078 5.389712                                
ASSI { 1399 }                                                                   
     ( attr rmsd >= 5.329712 and attr rmsd <= 5.449712 )                        
     (( attr rmsd >= 1.425078 and attr rmsd <= 1.505078 )                       
     and bondedto ( attr rmsd >= 26.98980 and attr rmsd <= 28.58980 ))
      3.0 3.0 0.5999999                                                         
      peak 1399 ppm1 5.389712 ppm2 1.465078 volume 14200000 weight 1.0          
REMARK dnoe: 2.790078 position 1.628821 4.141845                                
ASSI { 1400 }                                                                   
     ( attr rmsd >= 4.081845 and attr rmsd <= 4.201845 )                        
     (( attr rmsd >= 1.588821 and attr rmsd <= 1.668821 )                       
     and bondedto ( attr rmsd >= 26.43244 and attr rmsd <= 28.03244 ))
      3.0 3.0 0.5999999                                                         
      peak 1400 ppm1 4.141845 ppm2 1.628821 volume 16100000 weight 1.0          
REMARK dnoe: 2.982062 position 1.279973 3.979804                                
ASSI { 1401 }                                                                   
     ( attr rmsd >= 3.919804 and attr rmsd <= 4.039804 )                        
     (( attr rmsd >= 1.239973 and attr rmsd <= 1.319973 )                       
     and bondedto ( attr rmsd >= 26.67766 and attr rmsd <= 28.27766 ))
      3.0 3.0 0.5999999                                                         
      peak 1401 ppm1 3.979804 ppm2 1.279973 volume 10800000 weight 1.0          
REMARK dnoe: 3.000879 position 0.9762418 3.990759                               
ASSI { 1402 }                                                                   
     ( attr rmsd >= 3.930759 and attr rmsd <= 4.050759 )                        
     (( attr rmsd >= 0.9362418 and attr rmsd <= 1.016242 )                      
     and bondedto ( attr rmsd >= 26.63303 and attr rmsd <= 28.23303 ))
      3.6 3.6 1.4                                                               
      peak 1402 ppm1 3.990759 ppm2 0.9762418 volume 10400000 weight 1.0         
REMARK dnoe: 2.34649 position 1.623967 3.156149                                 
ASSI { 1403 }                                                                   
     ( attr rmsd >= 3.096149 and attr rmsd <= 3.216149 )                        
     (( attr rmsd >= 1.583967 and attr rmsd <= 1.663967 )                       
     and bondedto ( attr rmsd >= 26.43244 and attr rmsd <= 28.03244 ))
      2.5 2.5 0.2                                                               
      peak 1403 ppm1 3.156149 ppm2 1.623967 volume 45500000 weight 1.0          
REMARK dnoe: 3.027665 position 2.008503 0.7724452                               
ASSI { 1404 }                                                                   
     ( attr rmsd >= 0.7124452 and attr rmsd <= 0.8324452 )                      
     (( attr rmsd >= 1.968503 and attr rmsd <= 2.048503 )                       
     and bondedto ( attr rmsd >= 26.70587 and attr rmsd <= 28.30587 ))
      3.6 3.6 1.4                                                               
      peak 1404 ppm1 0.7724452 ppm2 2.008503 volume 9860000 weight 1.0          
REMARK dnoe: 3.256348 position 2.003743 0.6060214                               
ASSI { 1405 }                                                                   
     ( attr rmsd >= 0.5460214 and attr rmsd <= 0.6660214 )                      
     (( attr rmsd >= 1.963743 and attr rmsd <= 2.043743 )                       
     and bondedto ( attr rmsd >= 26.77762 and attr rmsd <= 28.37762 ))
      3.6 3.6 1.4                                                               
      peak 1405 ppm1 0.6060214 ppm2 2.003743 volume 6370000 weight 1.0          
REMARK dnoe: 2.930154 position 1.279973 0.3323145                               
ASSI { 1406 }                                                                   
     ( attr rmsd >= 0.2723145 and attr rmsd <= 0.3923145 )                      
     (( attr rmsd >= 1.239973 and attr rmsd <= 1.319973 )                       
     and bondedto ( attr rmsd >= 26.61072 and attr rmsd <= 28.21072 ))
      3.0 3.0 0.5999999                                                         
      peak 1406 ppm1 0.3323145 ppm2 1.279973 volume 12000000 weight 1.0         
REMARK dnoe: 2.112319 position 0.9833462 0.3410792                              
ASSI { 1407 }                                                                   
     ( attr rmsd >= 0.2810792 and attr rmsd <= 0.4010792 )                      
     (( attr rmsd >= 0.9433462 and attr rmsd <= 1.023346 )                      
     and bondedto ( attr rmsd >= 26.14261 and attr rmsd <= 27.74261 ))
      2.5 2.5 0.2                                                               
      peak 1407 ppm1 0.3410792 ppm2 0.9833462 volume 85500000 weight 1.0        
REMARK dnoe: 2.102995 position 1.043375 1.350492                                
ASSI { 1409 }                                                                   
     ( attr rmsd >= 1.290492 and attr rmsd <= 1.410492 )                        
     (( attr rmsd >= 1.003375 and attr rmsd <= 1.083375 )                       
     and bondedto ( attr rmsd >= 26.82596 and attr rmsd <= 28.42596 ))
      2.5 2.5 0.2                                                               
      peak 1409 ppm1 1.350492 ppm2 1.043375 volume 87800000 weight 1.0          
REMARK dnoe: 1.969836 position 0.9825027 1.2651                                 
ASSI { 1410 }                                                                   
     ( attr rmsd >= 1.2051 and attr rmsd <= 1.3251 )                            
     (( attr rmsd >= 0.9425027 and attr rmsd <= 1.022503 )                      
     and bondedto ( attr rmsd >= 26.61816 and attr rmsd <= 28.21816 ))
      2.5 2.5 0.2                                                               
      peak 1410 ppm1 1.2651 ppm2 0.9825027 volume 129999992 weight 1.0          
REMARK dnoe: 2.178257 position 0.9809785 0.6695228                              
ASSI { 1411 }                                                                   
     ( attr rmsd >= 0.6095228 and attr rmsd <= 0.7295228 )                      
     (( attr rmsd >= 0.9409785 and attr rmsd <= 1.020978 )                      
     and bondedto ( attr rmsd >= 26.64528 and attr rmsd <= 28.24528 ))
      2.5 2.5 0.2                                                               
      peak 1411 ppm1 0.6695228 ppm2 0.9809785 volume 71100000 weight 1.0        
REMARK dnoe: 2.591045 position 0.9762418 1.622008                               
ASSI { 1412 }                                                                   
     ( attr rmsd >= 1.562008 and attr rmsd <= 1.682008 )                        
     (( attr rmsd >= 0.9362418 and attr rmsd <= 1.016242 )                      
     and bondedto ( attr rmsd >= 26.74459 and attr rmsd <= 28.34459 ))
      3.0 3.0 0.5999999                                                         
      peak 1412 ppm1 1.622008 ppm2 0.9762418 volume 25099998 weight 1.0         
REMARK dnoe: 2.34307 position 1.360661 1.632964                                 
ASSI { 1413 }                                                                   
     ( attr rmsd >= 1.572964 and attr rmsd <= 1.692964 )                        
     (( attr rmsd >= 1.320661 and attr rmsd <= 1.400661 )                       
     and bondedto ( attr rmsd >= 26.92287 and attr rmsd <= 28.52287 ))
      2.5 2.5 0.2                                                               
      peak 1413 ppm1 1.632964 ppm2 1.360661 volume 45900000 weight 1.0          
REMARK dnoe: 3.206327 position 4.41824 7.891999                                 
ASSI { 1414 }                                                                   
     ( attr rmsd >= 7.831999 and attr rmsd <= 7.951999 )                        
     (( attr rmsd >= 4.37824 and attr rmsd <= 4.45824 )                         
     and bondedto ( attr rmsd >= 54.59175 and attr rmsd <= 56.19175 ))
      3.6 3.6 1.4                                                               
      peak 1414 ppm1 7.891999 ppm2 4.41824 volume 6990000 weight 1.0            
REMARK dnoe: 3.108389 position 4.415167 7.709592                                
ASSI { 1415 }                                                                   
     ( attr rmsd >= 7.649592 and attr rmsd <= 7.769592 )                        
     (( attr rmsd >= 4.375167 and attr rmsd <= 4.455167 )                       
     and bondedto ( attr rmsd >= 54.61406 and attr rmsd <= 56.21406 ))
      3.6 3.6 1.4                                                               
      peak 1415 ppm1 7.709592 ppm2 4.415167 volume 8420000 weight 1.0           
REMARK dnoe: 3.233896 position 5.147614 8.765041                                
ASSI { 1416 }                                                                   
     ( attr rmsd >= 8.705041 and attr rmsd <= 8.825042 )                        
     (( attr rmsd >= 5.107614 and attr rmsd <= 5.187614 )                       
     and bondedto ( attr rmsd >= 54.54734 and attr rmsd <= 56.14734 ))
      3.6 3.6 1.4                                                               
      peak 1416 ppm1 8.765041 ppm2 5.147614 volume 0.664e+07 weight 1.0         
REMARK dnoe: 2.665005 position 5.155914 9.216751                                
ASSI { 1417 }                                                                   
     ( attr rmsd >= 9.156751 and attr rmsd <= 9.276752 )                        
     (( attr rmsd >= 5.115914 and attr rmsd <= 5.195914 )                       
     and bondedto ( attr rmsd >= 54.52503 and attr rmsd <= 56.12503 ))
      3.0 3.0 0.5999999                                                         
      peak 1417 ppm1 9.216751 ppm2 5.155914 volume 21200000 weight 1.0          
REMARK dnoe: 3.135011 position 5.147614 6.929933                                
ASSI { 1418 }                                                                   
     ( attr rmsd >= 6.869933 and attr rmsd <= 6.989933 )                        
     (( attr rmsd >= 5.107614 and attr rmsd <= 5.187614 )                       
     and bondedto ( attr rmsd >= 54.43578 and attr rmsd <= 56.03578 ))
      3.6 3.6 1.4                                                               
      peak 1418 ppm1 6.929933 ppm2 5.147614 volume 8000000 weight 1.0           
REMARK dnoe: 2.428774 position 5.145198 4.978497                                
ASSI { 1419 }                                                                   
     ( attr rmsd >= 4.918497 and attr rmsd <= 5.038497 )                        
     (( attr rmsd >= 5.105198 and attr rmsd <= 5.185198 )                       
     and bondedto ( attr rmsd >= 54.47034 and attr rmsd <= 56.07034 ))
      2.5 2.5 0.2                                                               
      peak 1419 ppm1 4.978497 ppm2 5.145198 volume 37000000 weight 1.0          
REMARK dnoe: 2.245779 position 4.070775 1.444585                                
ASSI { 1420 }                                                                   
     ( attr rmsd >= 1.384585 and attr rmsd <= 1.504585 )                        
     (( attr rmsd >= 4.030775 and attr rmsd <= 4.110775 )                       
     and bondedto ( attr rmsd >= 54.65146 and attr rmsd <= 56.25146 ))
      2.5 2.5 0.2                                                               
      peak 1420 ppm1 1.444585 ppm2 4.070775 volume 59200000 weight 1.0          
REMARK dnoe: 2.898805 position 4.416809 1.079493                                
ASSI { 1421 }                                                                   
     ( attr rmsd >= 1.019493 and attr rmsd <= 1.139493 )                        
     (( attr rmsd >= 4.376809 and attr rmsd <= 4.456809 )                       
     and bondedto ( attr rmsd >= 54.53597 and attr rmsd <= 56.13597 ))
      3.0 3.0 0.5999999                                                         
      peak 1421 ppm1 1.079493 ppm2 4.416809 volume 12800001 weight 1.0          
REMARK dnoe: 2.509622 position 4.419553 1.525724                                
ASSI { 1422 }                                                                   
     ( attr rmsd >= 1.465724 and attr rmsd <= 1.585724 )                        
     (( attr rmsd >= 4.379553 and attr rmsd <= 4.459553 )                       
     and bondedto ( attr rmsd >= 54.52045 and attr rmsd <= 56.12045 ))
      3.0 3.0 0.5999999                                                         
      peak 1422 ppm1 1.525724 ppm2 4.419553 volume 30400000 weight 1.0          
REMARK dnoe: 2.550366 position 4.422319 1.715864                                
ASSI { 1423 }                                                                   
     ( attr rmsd >= 1.655864 and attr rmsd <= 1.775864 )                        
     (( attr rmsd >= 4.382319 and attr rmsd <= 4.462319 )                       
     and bondedto ( attr rmsd >= 54.55150 and attr rmsd <= 56.15150 ))
      3.0 3.0 0.5999999                                                         
      peak 1423 ppm1 1.715864 ppm2 4.422319 volume 27600000 weight 1.0          
REMARK dnoe: 2.279051 position 5.150099 2.024845                                
ASSI { 1424 }                                                                   
     ( attr rmsd >= 1.964845 and attr rmsd <= 2.084845 )                        
     (( attr rmsd >= 5.110099 and attr rmsd <= 5.190099 )                       
     and bondedto ( attr rmsd >= 54.43097 and attr rmsd <= 56.03097 ))
      2.5 2.5 0.2                                                               
      peak 1424 ppm1 2.024845 ppm2 5.150099 volume 54200000 weight 1.0          
REMARK dnoe: 2.443295 position 5.150099 1.90622                                 
ASSI { 1425 }                                                                   
     ( attr rmsd >= 1.84622 and attr rmsd <= 1.96622 )                          
     (( attr rmsd >= 5.110099 and attr rmsd <= 5.190099 )                       
     and bondedto ( attr rmsd >= 54.54166 and attr rmsd <= 56.14166 ))
      2.5 2.5 0.2                                                               
      peak 1425 ppm1 1.90622 ppm2 5.150099 volume 35700000 weight 1.0           
REMARK dnoe: 2.608662 position 5.150099 1.643061                                
ASSI { 1426 }                                                                   
     ( attr rmsd >= 1.583061 and attr rmsd <= 1.703061 )                        
     (( attr rmsd >= 5.110099 and attr rmsd <= 5.190099 )                       
     and bondedto ( attr rmsd >= 54.36447 and attr rmsd <= 55.96447 ))
      3.0 3.0 0.5999999                                                         
      peak 1426 ppm1 1.643061 ppm2 5.150099 volume 24100000 weight 1.0          
REMARK dnoe: 2.580864 position 5.147356 1.505015                                
ASSI { 1427 }                                                                   
     ( attr rmsd >= 1.445015 and attr rmsd <= 1.565015 )                        
     (( attr rmsd >= 5.107356 and attr rmsd <= 5.187356 )                       
     and bondedto ( attr rmsd >= 54.49747 and attr rmsd <= 56.09747 ))
      3.0 3.0 0.5999999                                                         
      peak 1427 ppm1 1.505015 ppm2 5.147356 volume 25700000 weight 1.0          
REMARK dnoe: 3.197244 position 4.558182 8.756556                                
ASSI { 1428 }                                                                   
     ( attr rmsd >= 8.696555 and attr rmsd <= 8.816556 )                        
     (( attr rmsd >= 4.518182 and attr rmsd <= 4.598182 )                       
     and bondedto ( attr rmsd >= 54.37279 and attr rmsd <= 55.97279 ))
      3.6 3.6 1.4                                                               
      peak 1428 ppm1 8.756556 ppm2 4.558182 volume 7110001 weight 1.0           
REMARK dnoe: 2.488259 position 5.640553 9.413057                                
ASSI { 1429 }                                                                   
     ( attr rmsd >= 9.353057 and attr rmsd <= 9.473058 )                        
     (( attr rmsd >= 5.600553 and attr rmsd <= 5.680553 )                       
     and bondedto ( attr rmsd >= 53.85721 and attr rmsd <= 55.45721 ))
      2.5 2.5 0.2                                                               
      peak 1429 ppm1 9.413057 ppm2 5.640553 volume 32000000 weight 1.0          
REMARK dnoe: 3.299145 position 5.638349 9.097889                                
ASSI { 1430 }                                                                   
     ( attr rmsd >= 9.037889 and attr rmsd <= 9.157889 )                        
     (( attr rmsd >= 5.598349 and attr rmsd <= 5.678349 )                       
     and bondedto ( attr rmsd >= 53.78852 and attr rmsd <= 55.38852 ))
      3.6 3.6 1.4                                                               
      peak 1430 ppm1 9.097889 ppm2 5.638349 volume 5890000 weight 1.0           
REMARK dnoe: 2.895048 position 5.175916 9.44137                                 
ASSI { 1431 }                                                                   
     ( attr rmsd >= 9.38137 and attr rmsd <= 9.50137 )                          
     (( attr rmsd >= 5.135916 and attr rmsd <= 5.215916 )                       
     and bondedto ( attr rmsd >= 53.80756 and attr rmsd <= 55.40756 ))
      3.0 3.0 0.5999999                                                         
      peak 1431 ppm1 9.44137 ppm2 5.175916 volume 12899999 weight 1.0           
REMARK dnoe: 2.449046 position 5.172164 9.257654                                
ASSI { 1432 }                                                                   
     ( attr rmsd >= 9.197654 and attr rmsd <= 9.317655 )                        
     (( attr rmsd >= 5.132164 and attr rmsd <= 5.212164 )                       
     and bondedto ( attr rmsd >= 53.72202 and attr rmsd <= 55.32202 ))
      2.5 2.5 0.2                                                               
      peak 1432 ppm1 9.257654 ppm2 5.172164 volume 35200000 weight 1.0          
REMARK dnoe: 2.570956 position 4.98305 9.214474                                 
ASSI { 1433 }                                                                   
     ( attr rmsd >= 9.154473 and attr rmsd <= 9.274474 )                        
     (( attr rmsd >= 4.94305 and attr rmsd <= 5.02305 )                         
     and bondedto ( attr rmsd >= 53.41184 and attr rmsd <= 55.01184 ))
      3.0 3.0 0.5999999                                                         
      peak 1433 ppm1 9.214474 ppm2 4.98305 volume 26300002 weight 1.0           
REMARK dnoe: 2.72867 position 5.636168 7.821795                                 
ASSI { 1434 }                                                                   
     ( attr rmsd >= 7.761795 and attr rmsd <= 7.881795 )                        
     (( attr rmsd >= 5.596168 and attr rmsd <= 5.676168 )                       
     and bondedto ( attr rmsd >= 53.78852 and attr rmsd <= 55.38852 ))
      3.0 3.0 0.5999999                                                         
      peak 1434 ppm1 7.821795 ppm2 5.636168 volume 18400000 weight 1.0          
REMARK dnoe: 2.873195 position 5.636145 6.12385                                 
ASSI { 1435 }                                                                   
     ( attr rmsd >= 6.06385 and attr rmsd <= 6.18385 )                          
     (( attr rmsd >= 5.596145 and attr rmsd <= 5.676145 )                       
     and bondedto ( attr rmsd >= 53.84627 and attr rmsd <= 55.44627 ))
      3.0 3.0 0.5999999                                                         
      peak 1435 ppm1 6.12385 ppm2 5.636145 volume 13500001 weight 1.0           
REMARK dnoe: 2.784343 position 5.185249 5.984666                                
ASSI { 1436 }                                                                   
     ( attr rmsd >= 5.924666 and attr rmsd <= 6.044666 )                        
     (( attr rmsd >= 5.145249 and attr rmsd <= 5.225249 )                       
     and bondedto ( attr rmsd >= 53.74412 and attr rmsd <= 55.34412 ))
      3.0 3.0 0.5999999                                                         
      peak 1436 ppm1 5.984666 ppm2 5.185249 volume 16300000 weight 1.0          
REMARK dnoe: 2.714116 position 4.987435 3.965432                                
ASSI { 1437 }                                                                   
     ( attr rmsd >= 3.905432 and attr rmsd <= 4.025432 )                        
     (( attr rmsd >= 4.947435 and attr rmsd <= 5.027435 )                       
     and bondedto ( attr rmsd >= 53.61112 and attr rmsd <= 55.21112 ))
      3.0 3.0 0.5999999                                                         
      peak 1437 ppm1 3.965432 ppm2 4.987435 volume 19000000 weight 1.0          
REMARK dnoe: 2.580864 position 4.987435 3.429941                                
ASSI { 1438 }                                                                   
     ( attr rmsd >= 3.369941 and attr rmsd <= 3.489941 )                        
     (( attr rmsd >= 4.947435 and attr rmsd <= 5.027435 )                       
     and bondedto ( attr rmsd >= 53.63343 and attr rmsd <= 55.23343 ))
      3.0 3.0 0.5999999                                                         
      peak 1438 ppm1 3.429941 ppm2 4.987435 volume 25700000 weight 1.0          
REMARK dnoe: 2.280456 position 4.369372 2.885815                                
ASSI { 1439 }                                                                   
     ( attr rmsd >= 2.825815 and attr rmsd <= 2.945815 )                        
     (( attr rmsd >= 4.329372 and attr rmsd <= 4.409372 )                       
     and bondedto ( attr rmsd >= 53.74412 and attr rmsd <= 55.34412 ))
      2.5 2.5 0.2                                                               
      peak 1439 ppm1 2.885815 ppm2 4.369372 volume 54000004 weight 1.0          
REMARK dnoe: 2.500118 position 5.638091 1.947337                                
ASSI { 1440 }                                                                   
     ( attr rmsd >= 1.887337 and attr rmsd <= 2.007337 )                        
     (( attr rmsd >= 5.598091 and attr rmsd <= 5.678091 )                       
     and bondedto ( attr rmsd >= 54.05429 and attr rmsd <= 55.65429 ))
      3.0 3.0 0.5999999                                                         
      peak 1440 ppm1 1.947337 ppm2 5.638091 volume 31099998 weight 1.0          
REMARK dnoe: 2.464454 position 5.640788 1.766133                                
ASSI { 1441 }                                                                   
     ( attr rmsd >= 1.706133 and attr rmsd <= 1.826133 )                        
     (( attr rmsd >= 5.600788 and attr rmsd <= 5.680788 )                       
     and bondedto ( attr rmsd >= 53.92130 and attr rmsd <= 55.52130 ))
      2.5 2.5 0.2                                                               
      peak 1441 ppm1 1.766133 ppm2 5.640788 volume 33900000 weight 1.0          
REMARK dnoe: 2.859246 position 5.638091 1.440418                                
ASSI { 1442 }                                                                   
     ( attr rmsd >= 1.380418 and attr rmsd <= 1.500418 )                        
     (( attr rmsd >= 5.598091 and attr rmsd <= 5.678091 )                       
     and bondedto ( attr rmsd >= 53.78852 and attr rmsd <= 55.38852 ))
      3.0 3.0 0.5999999                                                         
      peak 1442 ppm1 1.440418 ppm2 5.638091 volume 13900000 weight 1.0          
REMARK dnoe: 2.365952 position 4.251355 1.60435                                 
ASSI { 1443 }                                                                   
     ( attr rmsd >= 1.54435 and attr rmsd <= 1.66435 )                          
     (( attr rmsd >= 4.211355 and attr rmsd <= 4.291355 )                       
     and bondedto ( attr rmsd >= 53.89921 and attr rmsd <= 55.49921 ))
      2.5 2.5 0.2                                                               
      peak 1443 ppm1 1.60435 ppm2 4.251355 volume 43300000 weight 1.0           
REMARK dnoe: 2.561309 position 4.235081 1.032725                                
ASSI { 1444 }                                                                   
     ( attr rmsd >= 0.972725 and attr rmsd <= 1.092725 )                        
     (( attr rmsd >= 4.195081 and attr rmsd <= 4.275081 )                       
     and bondedto ( attr rmsd >= 53.67762 and attr rmsd <= 55.27762 ))
      3.0 3.0 0.5999999                                                         
      peak 1444 ppm1 1.032725 ppm2 4.235081 volume 26900000 weight 1.0          
REMARK dnoe: 2.711742 position 4.251355 -0.1946692                              
ASSI { 1445 }                                                                   
     ( attr rmsd >= -0.2546692 and attr rmsd <= -0.1346692 )                    
     (( attr rmsd >= 4.211355 and attr rmsd <= 4.291355 )                       
     and bondedto ( attr rmsd >= 53.72202 and attr rmsd <= 55.32202 ))
      3.0 3.0 0.5999999                                                         
      peak 1445 ppm1 -0.1946692 ppm2 4.251355 volume 19100000 weight 1.0        
REMARK dnoe: 3.267558 position 1.022951 6.567998                                
ASSI { 1446 }                                                                   
     ( attr rmsd >= 6.507998 and attr rmsd <= 6.627998 )                        
     (( attr rmsd >= 0.982951 and attr rmsd <= 1.062951 )                       
     and bondedto ( attr rmsd >= 26.42894 and attr rmsd <= 28.02894 ))
      3.6 3.6 1.4                                                               
      peak 1446 ppm1 6.567998 ppm2 1.022951 volume 6240000 weight 1.0           
REMARK dnoe: 3.224256 position 1.017347 6.744175                                
ASSI { 1447 }                                                                   
     ( attr rmsd >= 6.684175 and attr rmsd <= 6.804175 )                        
     (( attr rmsd >= 0.977347 and attr rmsd <= 1.057347 )                       
     and bondedto ( attr rmsd >= 26.57550 and attr rmsd <= 28.17550 ))
      3.6 3.6 1.4                                                               
      peak 1447 ppm1 6.744175 ppm2 1.017347 volume 6760000 weight 1.0           
REMARK dnoe: 2.951012 position 0.5515609 6.764282                               
ASSI { 1448 }                                                                   
     ( attr rmsd >= 6.704282 and attr rmsd <= 6.824282 )                        
     (( attr rmsd >= 0.5115609 and attr rmsd <= 0.5915609 )                     
     and bondedto ( attr rmsd >= 26.36245 and attr rmsd <= 27.96245 ))
      3.0 3.0 0.5999999                                                         
      peak 1448 ppm1 6.764282 ppm2 0.5515609 volume 11500000 weight 1.0         
REMARK dnoe: 2.401438 position 1.937664 4.508334                                
ASSI { 1449 }                                                                   
     ( attr rmsd >= 4.448334 and attr rmsd <= 4.568334 )                        
     (( attr rmsd >= 1.897664 and attr rmsd <= 1.977664 )                       
     and bondedto ( attr rmsd >= 26.76121 and attr rmsd <= 28.36121 ))
      2.5 2.5 0.2                                                               
      peak 1449 ppm1 4.508334 ppm2 1.937664 volume 39600000 weight 1.0          
REMARK dnoe: 3.015554 position 1.561663 4.33364                                 
ASSI { 1450 }                                                                   
     ( attr rmsd >= 4.27364 and attr rmsd <= 4.39364 )                          
     (( attr rmsd >= 1.521663 and attr rmsd <= 1.601663 )                       
     and bondedto ( attr rmsd >= 26.34035 and attr rmsd <= 27.94035 ))
      3.6 3.6 1.4                                                               
      peak 1450 ppm1 4.33364 ppm2 1.561663 volume 10100000 weight 1.0           
REMARK dnoe: 2.575877 position 1.003302 3.719438                                
ASSI { 1452 }                                                                   
     ( attr rmsd >= 3.659438 and attr rmsd <= 3.779438 )                        
     (( attr rmsd >= 0.963302 and attr rmsd <= 1.043302 )                       
     and bondedto ( attr rmsd >= 26.55188 and attr rmsd <= 28.15188 ))
      3.0 3.0 0.5999999                                                         
      peak 1452 ppm1 3.719438 ppm2 1.003302 volume 26000000 weight 1.0          
REMARK dnoe: 2.378003 position 1.28009 1.62218                                  
ASSI { 1453 }                                                                   
     ( attr rmsd >= 1.56218 and attr rmsd <= 1.68218 )                          
     (( attr rmsd >= 1.24009 and attr rmsd <= 1.32009 )                         
     and bondedto ( attr rmsd >= 26.80562 and attr rmsd <= 28.40562 ))
      2.5 2.5 0.2                                                               
      peak 1453 ppm1 1.62218 ppm2 1.28009 volume 42000000 weight 1.0            
REMARK dnoe: 3.198745 position 1.02131 8.073911                                 
ASSI { 1454 }                                                                   
     ( attr rmsd >= 8.01391 and attr rmsd <= 8.133911 )                         
     (( attr rmsd >= 0.98131 and attr rmsd <= 1.06131 )                         
     and bondedto ( attr rmsd >= 26.38279 and attr rmsd <= 27.98279 ))
      3.6 3.6 1.4                                                               
      peak 1454 ppm1 8.073911 ppm2 1.02131 volume 7090000 weight 1.0            
REMARK dnoe: 3.297282 position 1.612641 3.669727                                
ASSI { 1455 }                                                                   
     ( attr rmsd >= 3.609727 and attr rmsd <= 3.729727 )                        
     (( attr rmsd >= 1.572641 and attr rmsd <= 1.652641 )                       
     and bondedto ( attr rmsd >= 26.42894 and attr rmsd <= 28.02894 ))
      3.6 3.6 1.4                                                               
      peak 1455 ppm1 3.669727 ppm2 1.612641 volume 5910000 weight 1.0           
REMARK dnoe: 2.914185 position 0.5494037 3.746763                               
ASSI { 1456 }                                                                   
     ( attr rmsd >= 3.686763 and attr rmsd <= 3.806763 )                        
     (( attr rmsd >= 0.5094037 and attr rmsd <= 0.5894037 )                     
     and bondedto ( attr rmsd >= 26.20735 and attr rmsd <= 27.80735 ))
      3.0 3.0 0.5999999                                                         
      peak 1456 ppm1 3.746763 ppm2 0.5494037 volume 12400000 weight 1.0         
REMARK dnoe: 3.048635 position 0.4574609 3.736108                               
ASSI { 1457 }                                                                   
     ( attr rmsd >= 3.676108 and attr rmsd <= 3.796108 )                        
     (( attr rmsd >= 0.4174609 and attr rmsd <= 0.4974609 )                     
     and bondedto ( attr rmsd >= 26.22945 and attr rmsd <= 27.82945 ))
      3.6 3.6 1.4                                                               
      peak 1457 ppm1 3.736108 ppm2 0.4574609 volume 9460000 weight 1.0          
REMARK dnoe: 2.91812 position 0.5513496 5.414073                                
ASSI { 1458 }                                                                   
     ( attr rmsd >= 5.354073 and attr rmsd <= 5.474073 )                        
     (( attr rmsd >= 0.5113496 and attr rmsd <= 0.5913496 )                     
     and bondedto ( attr rmsd >= 26.25176 and attr rmsd <= 27.85176 ))
      3.0 3.0 0.5999999                                                         
      peak 1458 ppm1 5.414073 ppm2 0.5513496 volume 12300000 weight 1.0         
REMARK dnoe: 2.544257 position 1.557607 3.097438                                
ASSI { 1459 }                                                                   
     ( attr rmsd >= 3.037438 and attr rmsd <= 3.157438 )                        
     (( attr rmsd >= 1.517607 and attr rmsd <= 1.597607 )                       
     and bondedto ( attr rmsd >= 26.38869 and attr rmsd <= 27.98869 ))
      3.0 3.0 0.5999999                                                         
      peak 1459 ppm1 3.097438 ppm2 1.557607 volume 28000000 weight 1.0          
REMARK dnoe: 2.442157 position 1.790172 1.929163                                
ASSI { 1460 }                                                                   
     ( attr rmsd >= 1.869163 and attr rmsd <= 1.989163 )                        
     (( attr rmsd >= 1.750172 and attr rmsd <= 1.830172 )                       
     and bondedto ( attr rmsd >= 26.71703 and attr rmsd <= 28.31703 ))
      2.5 2.5 0.2                                                               
      peak 1460 ppm1 1.929163 ppm2 1.790172 volume 35800000 weight 1.0          
REMARK dnoe: 1.988092 position 1.278472 0.967097                                
ASSI { 1461 }                                                                   
     ( attr rmsd >= 0.907097 and attr rmsd <= 1.027097 )                        
     (( attr rmsd >= 1.238472 and attr rmsd <= 1.318472 )                       
     and bondedto ( attr rmsd >= 26.71703 and attr rmsd <= 28.31703 ))
      2.5 2.5 0.2                                                               
      peak 1461 ppm1 0.967097 ppm2 1.278472 volume 123000000 weight 1.0         
REMARK dnoe: 2.291188 position 1.11602 0.6392117                                
ASSI { 1463 }                                                                   
     ( attr rmsd >= 0.5792117 and attr rmsd <= 0.6992117 )                      
     (( attr rmsd >= 1.07602 and attr rmsd <= 1.15602 )                         
     and bondedto ( attr rmsd >= 26.16317 and attr rmsd <= 27.76317 ))
      2.5 2.5 0.2                                                               
      peak 1463 ppm1 0.6392117 ppm2 1.11602 volume 52499996 weight 1.0          
REMARK dnoe: 2.476783 position 1.113299 0.7772789                               
ASSI { 1464 }                                                                   
     ( attr rmsd >= 0.7172789 and attr rmsd <= 0.8372789 )                      
     (( attr rmsd >= 1.073299 and attr rmsd <= 1.153299 )                       
     and bondedto ( attr rmsd >= 26.14086 and attr rmsd <= 27.74086 ))
      2.5 2.5 0.2                                                               
      peak 1464 ppm1 0.7772789 ppm2 1.113299 volume 32900000 weight 1.0         
REMARK dnoe: 2.168209 position 1.02124 0.447546                                 
ASSI { 1465 }                                                                   
     ( attr rmsd >= 0.387546 and attr rmsd <= 0.507546 )                        
     (( attr rmsd >= 0.98124 and attr rmsd <= 1.06124 )                         
     and bondedto ( attr rmsd >= 26.34845 and attr rmsd <= 27.94845 ))
      2.5 2.5 0.2                                                               
      peak 1465 ppm1 0.447546 ppm2 1.02124 volume 73100000 weight 1.0           
REMARK dnoe: 2.682145 position 1.02124 -0.0251517                               
ASSI { 1466 }                                                                   
     ( attr rmsd >= -0.0851517 and attr rmsd <= 0.0348483 )                     
     (( attr rmsd >= 0.98124 and attr rmsd <= 1.06124 )                         
     and bondedto ( attr rmsd >= 26.35304 and attr rmsd <= 27.95304 ))
      3.0 3.0 0.5999999                                                         
      peak 1466 ppm1 -0.0251517 ppm2 1.02124 volume 20400000 weight 1.0         
REMARK dnoe: 2.409621 position 1.02124 0.1699295                                
ASSI { 1467 }                                                                   
     ( attr rmsd >= 0.1099295 and attr rmsd <= 0.2299295 )                      
     (( attr rmsd >= 0.98124 and attr rmsd <= 1.06124 )                         
     and bondedto ( attr rmsd >= 26.33248 and attr rmsd <= 27.93248 ))
      2.5 2.5 0.2                                                               
      peak 1467 ppm1 0.1699295 ppm2 1.02124 volume 38800000 weight 1.0          
REMARK dnoe: 2.748961 position 0.5465426 -0.0466337                             
ASSI { 1468 }                                                                   
     ( attr rmsd >= -0.1066337 and attr rmsd <= 0.0133663 )                     
     (( attr rmsd >= 0.5065426 and attr rmsd <= 0.5865426 )                     
     and bondedto ( attr rmsd >= 26.33160 and attr rmsd <= 27.93160 ))
      3.0 3.0 0.5999999                                                         
      peak 1468 ppm1 -0.0466337 ppm2 0.5465426 volume 17600000 weight 1.0       
REMARK dnoe: 2.580864 position 0.5470586 0.253088                               
ASSI { 1469 }                                                                   
     ( attr rmsd >= 0.193088 and attr rmsd <= 0.313088 )                        
     (( attr rmsd >= 0.5070586 and attr rmsd <= 0.5870586 )                     
     and bondedto ( attr rmsd >= 26.30754 and attr rmsd <= 27.90754 ))
      3.0 3.0 0.5999999                                                         
      peak 1469 ppm1 0.253088 ppm2 0.5470586 volume 25700000 weight 1.0         
REMARK dnoe: 2.294111 position 0.5468006 0.9412537                              
ASSI { 1470 }                                                                   
     ( attr rmsd >= 0.8812537 and attr rmsd <= 1.001254 )                       
     (( attr rmsd >= 0.5068006 and attr rmsd <= 0.5868006 )                     
     and bondedto ( attr rmsd >= 26.31213 and attr rmsd <= 27.91213 ))
      2.5 2.5 0.2                                                               
      peak 1470 ppm1 0.9412537 ppm2 0.5468006 volume 52100004 weight 1.0        
REMARK dnoe: 2.702391 position 0.5528507 1.208688                               
ASSI { 1473 }                                                                   
     ( attr rmsd >= 1.739925 and attr rmsd <= 1.859925 )                        
     (( attr rmsd >= 0.5065894 and attr rmsd <= 0.5865894 )                     
     and bondedto ( attr rmsd >= 26.31585 and attr rmsd <= 27.91585 ))
      3.0 3.0 0.5999999                                                         
      peak 1473 ppm1 1.799925 ppm2 0.5465894 volume 28200000 weight 1.0         
REMARK dnoe: 2.731149 position 0.4580941 -0.0226598                             
ASSI { 1474 }                                                                   
     ( attr rmsd >= -0.0826598 and attr rmsd <= 0.0373402 )                     
     (( attr rmsd >= 0.4180941 and attr rmsd <= 0.4980941 )                     
     and bondedto ( attr rmsd >= 26.34801 and attr rmsd <= 27.94801 ))
      3.0 3.0 0.5999999                                                         
      peak 1474 ppm1 -0.0226598 ppm2 0.4580941 volume 18300000 weight 1.0       
REMARK dnoe: 2.288292 position 0.4553976 1.027828                               
ASSI { 1475 }                                                                   
     ( attr rmsd >= 0.967828 and attr rmsd <= 1.087828 )                        
     (( attr rmsd >= 0.4153976 and attr rmsd <= 0.4953976 )                     
     and bondedto ( attr rmsd >= 26.33773 and attr rmsd <= 27.93773 ))
      2.5 2.5 0.2                                                               
      peak 1475 ppm1 1.027828 ppm2 0.4553976 volume 52900000 weight 1.0         
REMARK dnoe: 2.365952 position 1.113299 1.41799                                 
ASSI { 1476 }                                                                   
     ( attr rmsd >= 1.35799 and attr rmsd <= 1.47799 )                          
     (( attr rmsd >= 1.073299 and attr rmsd <= 1.153299 )                       
     and bondedto ( attr rmsd >= 26.18526 and attr rmsd <= 27.78526 ))
      2.5 2.5 0.2                                                               
      peak 1476 ppm1 1.41799 ppm2 1.113299 volume 43300000 weight 1.0           
REMARK dnoe: 2.942544 position 0.5474339 1.510686                               
ASSI { 1477 }                                                                   
     ( attr rmsd >= 1.450686 and attr rmsd <= 1.570686 )                        
     (( attr rmsd >= 0.5074339 and attr rmsd <= 0.5874339 )                     
     and bondedto ( attr rmsd >= 26.29595 and attr rmsd <= 27.89595 ))
      3.0 3.0 0.5999999                                                         
      peak 1477 ppm1 1.510686 ppm2 0.5474339 volume 11700000 weight 1.0         
REMARK dnoe: 2.535282 position 0.4580941 0.1711326                              
ASSI { 1478 }                                                                   
     ( attr rmsd >= 0.1111326 and attr rmsd <= 0.2311326 )                      
     (( attr rmsd >= 0.4180941 and attr rmsd <= 0.4980941 )                     
     and bondedto ( attr rmsd >= 26.34035 and attr rmsd <= 27.94035 ))
      3.0 3.0 0.5999999                                                         
      peak 1478 ppm1 0.1711326 ppm2 0.4580941 volume 28600002 weight 1.0        
REMARK dnoe: 2.59277 position 0.4580941 1.180653                                
ASSI { 1479 }                                                                   
     ( attr rmsd >= 1.120653 and attr rmsd <= 1.240653 )                        
     (( attr rmsd >= 0.4180941 and attr rmsd <= 0.4980941 )                     
     and bondedto ( attr rmsd >= 26.18526 and attr rmsd <= 27.78526 ))
      3.0 3.0 0.5999999                                                         
      peak 1479 ppm1 1.180653 ppm2 0.4580941 volume 25000000 weight 1.0         
REMARK dnoe: 2.522224 position 0.5462379 1.085744                               
ASSI { 1480 }                                                                   
     ( attr rmsd >= 1.025744 and attr rmsd <= 1.145744 )                        
     (( attr rmsd >= 0.5062379 and attr rmsd <= 0.5862379 )                     
     and bondedto ( attr rmsd >= 26.25176 and attr rmsd <= 27.85176 ))
      3.0 3.0 0.5999999                                                         
      peak 1480 ppm1 1.085744 ppm2 0.5462379 volume 29499998 weight 1.0         
REMARK dnoe: 3.028177 position 0.9780939 9.019865                               
ASSI { 1481 }                                                                   
     ( attr rmsd >= 8.959865 and attr rmsd <= 9.079865 )                        
     (( attr rmsd >= 0.9380939 and attr rmsd <= 1.018094 )                      
     and bondedto ( attr rmsd >= 26.10564 and attr rmsd <= 27.70564 ))
      3.6 3.6 1.4                                                               
      peak 1481 ppm1 9.019865 ppm2 0.9780939 volume 9850000 weight 1.0          
REMARK dnoe: 3.489048 position 0.5514903 9.34296                                
ASSI { 1482 }                                                                   
     ( attr rmsd >= 9.28296 and attr rmsd <= 9.402961 )                         
     (( attr rmsd >= 0.5114903 and attr rmsd <= 0.5914903 )                     
     and bondedto ( attr rmsd >= 26.15026 and attr rmsd <= 27.75026 ))
      3.6 3.6 1.4                                                               
      peak 1482 ppm1 9.34296 ppm2 0.5514903 volume 4210000 weight 1.0           
REMARK dnoe: 3.454375 position 0.5514669 9.106976                               
ASSI { 1483 }                                                                   
     ( attr rmsd >= 9.046975 and attr rmsd <= 9.166976 )                        
     (( attr rmsd >= 0.5114669 and attr rmsd <= 0.5914669 )                     
     and bondedto ( attr rmsd >= 26.17280 and attr rmsd <= 27.77280 ))
      3.6 3.6 1.4                                                               
      peak 1483 ppm1 9.106976 ppm2 0.5514669 volume 4470000 weight 1.0          
REMARK dnoe: 3.353491 position 0.356936 9.019865                                
ASSI { 1484 }                                                                   
     ( attr rmsd >= 8.959865 and attr rmsd <= 9.079865 )                        
     (( attr rmsd >= 0.316936 and attr rmsd <= 0.396936 )                       
     and bondedto ( attr rmsd >= 26.16317 and attr rmsd <= 27.76317 ))
      3.6 3.6 1.4                                                               
      peak 1484 ppm1 9.019865 ppm2 0.356936 volume 5340000 weight 1.0           
REMARK dnoe: 3.082692 position 0.5482783 6.569373                               
ASSI { 1485 }                                                                   
     ( attr rmsd >= 6.509373 and attr rmsd <= 6.629373 )                        
     (( attr rmsd >= 0.5082783 and attr rmsd <= 0.5882783 )                     
     and bondedto ( attr rmsd >= 26.20342 and attr rmsd <= 27.80342 ))
      3.6 3.6 1.4                                                               
      peak 1485 ppm1 6.569373 ppm2 0.5482783 volume 8850000 weight 1.0          
REMARK dnoe: 3.702119 position 0.5514903 7.175304                               
ASSI { 1486 }                                                                   
     ( attr rmsd >= 7.115304 and attr rmsd <= 7.235304 )                        
     (( attr rmsd >= 0.5114903 and attr rmsd <= 0.5914903 )                     
     and bondedto ( attr rmsd >= 26.20735 and attr rmsd <= 27.80735 ))
      4.2 4.2 1.8                                                               
      peak 1486 ppm1 7.175304 ppm2 0.5514903 volume 0.295e+07 weight 1.0        
REMARK dnoe: 3.254647 position 0.9780939 4.271835                               
ASSI { 1487 }                                                                   
     ( attr rmsd >= 4.211835 and attr rmsd <= 4.331835 )                        
     (( attr rmsd >= 0.9380939 and attr rmsd <= 1.018094 )                      
     and bondedto ( attr rmsd >= 26.08158 and attr rmsd <= 27.68158 ))
      3.6 3.6 1.4                                                               
      peak 1487 ppm1 4.271835 ppm2 0.9780939 volume 6390000 weight 1.0          
REMARK dnoe: 2.968476 position 1.115222 4.060212                                
ASSI { 1488 }                                                                   
     ( attr rmsd >= 4.000212 and attr rmsd <= 4.120212 )                        
     (( attr rmsd >= 1.075222 and attr rmsd <= 1.155222 )                       
     and bondedto ( attr rmsd >= 26.20735 and attr rmsd <= 27.80735 ))
      3.0 3.0 0.5999999                                                         
      peak 1488 ppm1 4.060212 ppm2 1.115222 volume 11100000 weight 1.0          
REMARK dnoe: 3.613779 position 0.3442736 4.252157                               
ASSI { 1489 }                                                                   
     ( attr rmsd >= 4.192157 and attr rmsd <= 4.312157 )                        
     (( attr rmsd >= 0.3042736 and attr rmsd <= 0.3842736 )                     
     and bondedto ( attr rmsd >= 26.08005 and attr rmsd <= 27.68005 ))
      4.2 4.2 1.8                                                               
      peak 1489 ppm1 4.252157 ppm2 0.3442736 volume 3410000 weight 1.0          
REMARK dnoe: 2.365043 position 0.3625398 0.9684501                              
ASSI { 1490 }                                                                   
     ( attr rmsd >= 0.9084501 and attr rmsd <= 1.02845 )                        
     (( attr rmsd >= 0.3225398 and attr rmsd <= 0.4025398 )                     
     and bondedto ( attr rmsd >= 25.96368 and attr rmsd <= 27.56368 ))
      2.5 2.5 0.2                                                               
      peak 1490 ppm1 0.9684501 ppm2 0.3625398 volume 43400000 weight 1.0        
REMARK dnoe: 2.459641 position 0.3655887 0.5906615                              
ASSI { 1491 }                                                                   
     ( attr rmsd >= 0.5306615 and attr rmsd <= 0.6506615 )                      
     (( attr rmsd >= 0.3255887 and attr rmsd <= 0.4055887 )                     
     and bondedto ( attr rmsd >= 25.98577 and attr rmsd <= 27.58577 ))
      2.5 2.5 0.2                                                               
      peak 1491 ppm1 0.5906615 ppm2 0.3655887 volume 34300000 weight 1.0        
REMARK dnoe: 2.716504 position 0.9759598 1.677991                               
ASSI { 1492 }                                                                   
     ( attr rmsd >= 1.617991 and attr rmsd <= 1.737991 )                        
     (( attr rmsd >= 0.9359598 and attr rmsd <= 1.01596 )                       
     and bondedto ( attr rmsd >= 25.98008 and attr rmsd <= 27.58008 ))
      3.0 3.0 0.5999999                                                         
      peak 1492 ppm1 1.677991 ppm2 0.9759598 volume 18900000 weight 1.0         
REMARK dnoe: 2.754202 position 0.9738967 1.524908                               
ASSI { 1493 }                                                                   
     ( attr rmsd >= 1.464908 and attr rmsd <= 1.584908 )                        
     (( attr rmsd >= 0.9338967 and attr rmsd <= 1.013897 )                      
     and bondedto ( attr rmsd >= 25.98008 and attr rmsd <= 27.58008 ))
      3.0 3.0 0.5999999                                                         
      peak 1493 ppm1 1.524908 ppm2 0.9738967 volume 17400000 weight 1.0         
REMARK dnoe: 2.190759 position 0.9759598 0.6021328                              
ASSI { 1494 }                                                                   
     ( attr rmsd >= 0.5421328 and attr rmsd <= 0.6621328 )                      
     (( attr rmsd >= 0.9359598 and attr rmsd <= 1.01596 )                       
     and bondedto ( attr rmsd >= 26.06867 and attr rmsd <= 27.66867 ))
      2.5 2.5 0.2                                                               
      peak 1494 ppm1 0.6021328 ppm2 0.9759598 volume 68700000 weight 1.0        
REMARK dnoe: 2.462039 position 0.6880326 1.253242                               
ASSI { 1495 }                                                                   
     ( attr rmsd >= 1.193242 and attr rmsd <= 1.313242 )                        
     (( attr rmsd >= 0.6480326 and attr rmsd <= 0.7280326 )                     
     and bondedto ( attr rmsd >= 25.58197 and attr rmsd <= 27.18197 ))
      2.5 2.5 0.2                                                               
      peak 1495 ppm1 1.253242 ppm2 0.6880326 volume 34100000 weight 1.0         
REMARK dnoe: 2.413786 position 0.6859689 1.453758                               
ASSI { 1496 }                                                                   
     ( attr rmsd >= 1.393758 and attr rmsd <= 1.513758 )                        
     (( attr rmsd >= 0.6459689 and attr rmsd <= 0.7259689 )                     
     and bondedto ( attr rmsd >= 25.51569 and attr rmsd <= 27.11569 ))
      2.5 2.5 0.2                                                               
      peak 1496 ppm1 1.453758 ppm2 0.6859689 volume 38400000 weight 1.0         
REMARK dnoe: 2.746366 position 4.369067 8.738962                                
ASSI { 1497 }                                                                   
     ( attr rmsd >= 8.678962 and attr rmsd <= 8.798963 )                        
     (( attr rmsd >= 4.329067 and attr rmsd <= 4.409067 )                       
     and bondedto ( attr rmsd >= 53.69402 and attr rmsd <= 55.29402 ))
      3.0 3.0 0.5999999                                                         
      peak 1497 ppm1 8.738962 ppm2 4.369067 volume 17700000 weight 1.0          
REMARK dnoe: 2.716504 position 4.235926 8.653548                                
ASSI { 1498 }                                                                   
     ( attr rmsd >= 8.593548 and attr rmsd <= 8.713549 )                        
     (( attr rmsd >= 4.195926 and attr rmsd <= 4.275926 )                       
     and bondedto ( attr rmsd >= 53.68549 and attr rmsd <= 55.28549 ))
      3.0 3.0 0.5999999                                                         
      peak 1498 ppm1 8.653548 ppm2 4.235926 volume 18900000 weight 1.0          
REMARK dnoe: 2.733645 position 4.97897 1.257109                                 
ASSI { 1499 }                                                                   
     ( attr rmsd >= 1.197109 and attr rmsd <= 1.317109 )                        
     (( attr rmsd >= 4.93897 and attr rmsd <= 5.01897 )                         
     and bondedto ( attr rmsd >= 53.58379 and attr rmsd <= 55.18379 ))
      3.0 3.0 0.5999999                                                         
      peak 1499 ppm1 1.257109 ppm2 4.97897 volume 18200000 weight 1.0           
REMARK dnoe: 2.580864 position 4.9838 1.440267                                  
ASSI { 1500 }                                                                   
     ( attr rmsd >= 1.380267 and attr rmsd <= 1.500267 )                        
     (( attr rmsd >= 4.9438 and attr rmsd <= 5.0238 )                           
     and bondedto ( attr rmsd >= 53.65006 and attr rmsd <= 55.25006 ))
      3.0 3.0 0.5999999                                                         
      peak 1500 ppm1 1.440267 ppm2 4.9838 volume 25700000 weight 1.0            
REMARK dnoe: 2.359637 position 4.98502 1.573608                                 
ASSI { 1501 }                                                                   
     ( attr rmsd >= 1.513608 and attr rmsd <= 1.633608 )                        
     (( attr rmsd >= 4.94502 and attr rmsd <= 5.02502 )                         
     and bondedto ( attr rmsd >= 53.71634 and attr rmsd <= 55.31634 ))
      2.5 2.5 0.2                                                               
      peak 1501 ppm1 1.573608 ppm2 4.98502 volume 44000000 weight 1.0           
REMARK dnoe: 2.248956 position 5.025047 1.795822                                
ASSI { 1502 }                                                                   
     ( attr rmsd >= 1.735822 and attr rmsd <= 1.855822 )                        
     (( attr rmsd >= 4.985047 and attr rmsd <= 5.065047 )                       
     and bondedto ( attr rmsd >= 53.53937 and attr rmsd <= 55.13937 ))
      2.5 2.5 0.2                                                               
      peak 1502 ppm1 1.795822 ppm2 5.025047 volume 58700000 weight 1.0          
REMARK dnoe: 2.591045 position 5.010485 2.15782                                 
ASSI { 1503 }                                                                   
     ( attr rmsd >= 2.09782 and attr rmsd <= 2.21782 )                          
     (( attr rmsd >= 4.970485 and attr rmsd <= 5.050485 )                       
     and bondedto ( attr rmsd >= 53.87122 and attr rmsd <= 55.47122 ))
      3.0 3.0 0.5999999                                                         
      peak 1503 ppm1 2.15782 ppm2 5.010485 volume 25099998 weight 1.0           
REMARK dnoe: 2.459641 position 5.180301 2.148175                                
ASSI { 1504 }                                                                   
     ( attr rmsd >= 2.088175 and attr rmsd <= 2.208175 )                        
     (( attr rmsd >= 5.140301 and attr rmsd <= 5.220301 )                       
     and bondedto ( attr rmsd >= 53.77649 and attr rmsd <= 55.37649 ))
      2.5 2.5 0.2                                                               
      peak 1504 ppm1 2.148175 ppm2 5.180301 volume 34300000 weight 1.0          
REMARK dnoe: 3.308575 position 4.251237 0.4049892                               
ASSI { 1505 }                                                                   
     ( attr rmsd >= 0.3449892 and attr rmsd <= 0.4649892 )                      
     (( attr rmsd >= 4.211237 and attr rmsd <= 4.291237 )                       
     and bondedto ( attr rmsd >= 53.67215 and attr rmsd <= 55.27215 ))
      3.6 3.6 1.4                                                               
      peak 1505 ppm1 0.4049892 ppm2 4.251237 volume 5790000 weight 1.0          
REMARK dnoe: 2.390497 position 4.982698 1.887895                                
ASSI { 1506 }                                                                   
     ( attr rmsd >= 1.827895 and attr rmsd <= 1.947895 )                        
     (( attr rmsd >= 4.942698 and attr rmsd <= 5.022698 )                       
     and bondedto ( attr rmsd >= 53.46303 and attr rmsd <= 55.06303 ))
      2.5 2.5 0.2                                                               
      peak 1506 ppm1 1.887895 ppm2 4.982698 volume 40700000 weight 1.0          
REMARK dnoe: 2.914185 position 0.6728377 1.761621                               
ASSI { 1507 }                                                                   
     ( attr rmsd >= 1.701621 and attr rmsd <= 1.821621 )                        
     (( attr rmsd >= 0.6328377 and attr rmsd <= 0.7128377 )                     
     and bondedto ( attr rmsd >= 25.53778 and attr rmsd <= 27.13778 ))
      3.0 3.0 0.5999999                                                         
      peak 1507 ppm1 1.761621 ppm2 0.6728377 volume 12400000 weight 1.0         
REMARK dnoe: 2.627153 position 0.686954 2.039625                                
ASSI { 1508 }                                                                   
     ( attr rmsd >= 1.979625 and attr rmsd <= 2.099625 )                        
     (( attr rmsd >= 0.646954 and attr rmsd <= 0.726954 )                       
     and bondedto ( attr rmsd >= 25.47150 and attr rmsd <= 27.07150 ))
      3.0 3.0 0.5999999                                                         
      peak 1508 ppm1 2.039625 ppm2 0.686954 volume 23100000 weight 1.0          
REMARK dnoe: 3.2572 position 0.6854763 6.680179                                 
ASSI { 1509 }                                                                   
     ( attr rmsd >= 6.620179 and attr rmsd <= 6.740179 )                        
     (( attr rmsd >= 0.6454763 and attr rmsd <= 0.7254763 )                     
     and bondedto ( attr rmsd >= 25.50847 and attr rmsd <= 27.10847 ))
      3.6 3.6 1.4                                                               
      peak 1509 ppm1 6.680179 ppm2 0.6854763 volume 6360000 weight 1.0          
REMARK dnoe: 2.991367 position 0.6854763 6.850899                               
ASSI { 1510 }                                                                   
     ( attr rmsd >= 6.790899 and attr rmsd <= 6.910899 )                        
     (( attr rmsd >= 0.6454763 and attr rmsd <= 0.7254763 )                     
     and bondedto ( attr rmsd >= 25.51438 and attr rmsd <= 27.11438 ))
      3.0 3.0 0.5999999                                                         
      peak 1510 ppm1 6.850899 ppm2 0.6854763 volume 10600000 weight 1.0         
REMARK dnoe: 3.475424 position 0.6735411 9.216343                               
ASSI { 1511 }                                                                   
     ( attr rmsd >= 9.156343 and attr rmsd <= 9.276343 )                        
     (( attr rmsd >= 0.6335411 and attr rmsd <= 0.7135412 )                     
     and bondedto ( attr rmsd >= 25.48988 and attr rmsd <= 27.08988 ))
      3.6 3.6 1.4                                                               
      peak 1511 ppm1 9.216343 ppm2 0.6735411 volume 4310000 weight 1.0          
REMARK dnoe: 2.906424 position 0.41401 6.748364                                 
ASSI { 1512 }                                                                   
     ( attr rmsd >= 6.688364 and attr rmsd <= 6.808364 )                        
     (( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )                         
     and bondedto ( attr rmsd >= 25.29454 and attr rmsd <= 26.89454 ))
      3.0 3.0 0.5999999                                                         
      peak 1512 ppm1 6.748364 ppm2 0.41401 volume 12600000 weight 1.0           
REMARK dnoe: 3.101672 position 0.4050531 6.879728                               
ASSI { 1513 }                                                                   
     ( attr rmsd >= 6.819728 and attr rmsd <= 6.939728 )                        
     (( attr rmsd >= 0.3650531 and attr rmsd <= 0.4450531 )                     
     and bondedto ( attr rmsd >= 25.31663 and attr rmsd <= 26.91663 ))
      3.6 3.6 1.4                                                               
      peak 1513 ppm1 6.879728 ppm2 0.4050531 volume 8530000 weight 1.0          
REMARK dnoe: 3.06617 position 0.6854763 5.39199                                 
ASSI { 1514 }                                                                   
     ( attr rmsd >= 5.33199 and attr rmsd <= 5.45199 )                          
     (( attr rmsd >= 0.6454763 and attr rmsd <= 0.7254763 )                     
     and bondedto ( attr rmsd >= 25.46254 and attr rmsd <= 27.06254 ))
      3.6 3.6 1.4                                                               
      peak 1514 ppm1 5.39199 ppm2 0.6854763 volume 9140000 weight 1.0           
REMARK dnoe: 3.601561 position 0.6884546 4.081223                               
ASSI { 1515 }                                                                   
     ( attr rmsd >= 4.021223 and attr rmsd <= 4.141223 )                        
     (( attr rmsd >= 0.6484546 and attr rmsd <= 0.7284546 )                     
     and bondedto ( attr rmsd >= 25.44088 and attr rmsd <= 27.04088 ))
      4.2 4.2 1.8                                                               
      peak 1515 ppm1 4.081223 ppm2 0.6884546 volume 3480000 weight 1.0          
REMARK dnoe: 3.203279 position 0.6914325 3.737697                               
ASSI { 1518 }                                                                   
     ( attr rmsd >= 4.19886 and attr rmsd <= 4.31886 )                          
     (( attr rmsd >= 0.3710327 and attr rmsd <= 0.4510327 )                     
     and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
      3.6 3.6 1.4                                                               
      peak 1518 ppm1 4.25886 ppm2 0.4110327 volume 5410000 weight 1.0           
REMARK dnoe: 2.47804 position 1.092547 1.586325                                 
ASSI { 1519 }                                                                   
     ( attr rmsd >= 1.526325 and attr rmsd <= 1.646325 )                        
     (( attr rmsd >= 1.052547 and attr rmsd <= 1.132547 )                       
     and bondedto ( attr rmsd >= 25.49359 and attr rmsd <= 27.09359 ))
      2.5 2.5 0.2                                                               
      peak 1519 ppm1 1.586325 ppm2 1.092547 volume 32800000 weight 1.0          
REMARK dnoe: 2.327284 position 1.112057 0.408319                                
ASSI { 1520 }                                                                   
     ( attr rmsd >= 0.348319 and attr rmsd <= 0.468319 )                        
     (( attr rmsd >= 1.072057 and attr rmsd <= 1.152057 )                       
     and bondedto ( attr rmsd >= 25.42141 and attr rmsd <= 27.02141 ))
      2.5 2.5 0.2                                                               
      peak 1520 ppm1 0.408319 ppm2 1.112057 volume 47800000 weight 1.0          
REMARK dnoe: 2.835928 position 1.115035 -0.1925426                              
ASSI { 1521 }                                                                   
     ( attr rmsd >= -0.2525426 and attr rmsd <= -0.1325426 )                    
     (( attr rmsd >= 1.075035 and attr rmsd <= 1.155035 )                       
     and bondedto ( attr rmsd >= 25.47150 and attr rmsd <= 27.07150 ))
      3.0 3.0 0.5999999                                                         
      peak 1521 ppm1 -0.1925426 ppm2 1.115035 volume 14600000 weight 1.0        
REMARK dnoe: 2.792977 position 1.115035 0.1520348                               
ASSI { 1522 }                                                                   
     ( attr rmsd >= 0.0920348 and attr rmsd <= 0.2120348 )                      
     (( attr rmsd >= 1.075035 and attr rmsd <= 1.155035 )                       
     and bondedto ( attr rmsd >= 25.49359 and attr rmsd <= 27.09359 ))
      3.0 3.0 0.5999999                                                         
      peak 1522 ppm1 0.1520348 ppm2 1.115035 volume 16000000 weight 1.0         
REMARK dnoe: 2.562899 position 0.41401 -0.1946902                               
ASSI { 1523 }                                                                   
     ( attr rmsd >= -0.2546902 and attr rmsd <= -0.1346902 )                    
     (( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )                         
     and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
      3.0 3.0 0.5999999                                                         
      peak 1523 ppm1 -0.1946902 ppm2 0.41401 volume 26800000 weight 1.0         
REMARK dnoe: 2.4718 position 0.41401 0.1606493                                  
ASSI { 1524 }                                                                   
     ( attr rmsd >= 0.1006493 and attr rmsd <= 0.2206493 )                      
     (( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )                         
     and bondedto ( attr rmsd >= 25.25035 and attr rmsd <= 26.85035 ))
      2.5 2.5 0.2                                                               
      peak 1524 ppm1 0.1606493 ppm2 0.41401 volume 33300000 weight 1.0          
REMARK dnoe: 2.748961 position 0.4110327 -0.041801                              
ASSI { 1525 }                                                                   
     ( attr rmsd >= -0.101801 and attr rmsd <= 0.018199 )                       
     (( attr rmsd >= 0.3710327 and attr rmsd <= 0.4510327 )                     
     and bondedto ( attr rmsd >= 25.27244 and attr rmsd <= 26.87244 ))
      3.0 3.0 0.5999999                                                         
      peak 1525 ppm1 -0.041801 ppm2 0.4110327 volume 17600000 weight 1.0        
REMARK dnoe: 2.138539 position 0.4110327 1.114681                               
ASSI { 1526 }                                                                   
     ( attr rmsd >= 1.054681 and attr rmsd <= 1.174681 )                        
     (( attr rmsd >= 0.3710327 and attr rmsd <= 0.4510327 )                     
     and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
      2.5 2.5 0.2                                                               
      peak 1526 ppm1 1.114681 ppm2 0.4110327 volume 79400000 weight 1.0         
REMARK dnoe: 2.569331 position 0.41401 1.590622                                 
ASSI { 1527 }                                                                   
     ( attr rmsd >= 1.530622 and attr rmsd <= 1.650622 )                        
     (( attr rmsd >= 0.37401 and attr rmsd <= 0.45401 )                         
     and bondedto ( attr rmsd >= 25.33873 and attr rmsd <= 26.93873 ))
      3.0 3.0 0.5999999                                                         
      peak 1527 ppm1 1.590622 ppm2 0.41401 volume 26400000 weight 1.0           
REMARK dnoe: 2.820057 position 5.02983 8.335975                                 
ASSI { 1528 }                                                                   
     ( attr rmsd >= 8.275974 and attr rmsd <= 8.395975 )                        
     (( attr rmsd >= 4.98983 and attr rmsd <= 5.06983 )                         
     and bondedto ( attr rmsd >= 53.38472 and attr rmsd <= 54.98472 ))
      3.0 3.0 0.5999999                                                         
      peak 1528 ppm1 8.335975 ppm2 5.02983 volume 15099999 weight 1.0           
REMARK dnoe: 2.859246 position 6.127772 9.360103                                
ASSI { 1529 }                                                                   
     ( attr rmsd >= 9.300102 and attr rmsd <= 9.420103 )                        
     (( attr rmsd >= 6.087772 and attr rmsd <= 6.167772 )                       
     and bondedto ( attr rmsd >= 53.07498 and attr rmsd <= 54.67498 ))
      3.0 3.0 0.5999999                                                         
      peak 1529 ppm1 9.360103 ppm2 6.127772 volume 13900000 weight 1.0          
REMARK dnoe: 2.756849 position 6.129788 9.090586                                
ASSI { 1530 }                                                                   
     ( attr rmsd >= 9.030585 and attr rmsd <= 9.150586 )                        
     (( attr rmsd >= 6.089788 and attr rmsd <= 6.169788 )                       
     and bondedto ( attr rmsd >= 53.03079 and attr rmsd <= 54.63079 ))
      3.0 3.0 0.5999999                                                         
      peak 1530 ppm1 9.090586 ppm2 6.129788 volume 17300000 weight 1.0          
REMARK dnoe: 2.726206 position 6.121957 5.623956                                
ASSI { 1531 }                                                                   
     ( attr rmsd >= 5.563956 and attr rmsd <= 5.683956 )                        
     (( attr rmsd >= 6.081957 and attr rmsd <= 6.161957 )                       
     and bondedto ( attr rmsd >= 53.03079 and attr rmsd <= 54.63079 ))
      3.0 3.0 0.5999999                                                         
      peak 1531 ppm1 5.623956 ppm2 6.121957 volume 18500000 weight 1.0          
REMARK dnoe: 2.526525 position 4.53077 3.709019                                 
ASSI { 1532 }                                                                   
     ( attr rmsd >= 3.649019 and attr rmsd <= 3.769019 )                        
     (( attr rmsd >= 4.49077 and attr rmsd <= 4.57077 )                         
     and bondedto ( attr rmsd >= 52.58827 and attr rmsd <= 54.18827 ))
      3.0 3.0 0.5999999                                                         
      peak 1532 ppm1 3.709019 ppm2 4.53077 volume 29200000 weight 1.0           
REMARK dnoe: 2.596243 position 4.52873 3.590436                                 
ASSI { 1533 }                                                                   
     ( attr rmsd >= 3.530436 and attr rmsd <= 3.650436 )                        
     (( attr rmsd >= 4.48873 and attr rmsd <= 4.56873 )                         
     and bondedto ( attr rmsd >= 52.61037 and attr rmsd <= 54.21037 ))
      3.0 3.0 0.5999999                                                         
      peak 1533 ppm1 3.590436 ppm2 4.52873 volume 24800000 weight 1.0           
REMARK dnoe: 2.869663 position 4.534756 2.708607                                
ASSI { 1534 }                                                                   
     ( attr rmsd >= 2.648607 and attr rmsd <= 2.768607 )                        
     (( attr rmsd >= 4.494756 and attr rmsd <= 4.574756 )                       
     and bondedto ( attr rmsd >= 52.87592 and attr rmsd <= 54.47592 ))
      3.0 3.0 0.5999999                                                         
      peak 1534 ppm1 2.708607 ppm2 4.534756 volume 13600001 weight 1.0          
REMARK dnoe: 2.7872 position 6.127772 1.75696                                   
ASSI { 1535 }                                                                   
     ( attr rmsd >= 1.69696 and attr rmsd <= 1.81696 )                          
     (( attr rmsd >= 6.087772 and attr rmsd <= 6.167772 )                       
     and bondedto ( attr rmsd >= 53.07498 and attr rmsd <= 54.67498 ))
      3.0 3.0 0.5999999                                                         
      peak 1535 ppm1 1.75696 ppm2 6.127772 volume 16200000 weight 1.0           
REMARK dnoe: 2.754202 position 6.129788 1.416293                                
ASSI { 1536 }                                                                   
     ( attr rmsd >= 1.356293 and attr rmsd <= 1.476293 )                        
     (( attr rmsd >= 6.089788 and attr rmsd <= 6.169788 )                       
     and bondedto ( attr rmsd >= 53.09708 and attr rmsd <= 54.69708 ))
      3.0 3.0 0.5999999                                                         
      peak 1536 ppm1 1.416293 ppm2 6.129788 volume 17400000 weight 1.0          
REMARK dnoe: 2.829504 position 5.005373 0.7283201                               
ASSI { 1537 }                                                                   
     ( attr rmsd >= 0.6683201 and attr rmsd <= 0.7883201 )                      
     (( attr rmsd >= 4.965373 and attr rmsd <= 5.045373 )                       
     and bondedto ( attr rmsd >= 53.38078 and attr rmsd <= 54.98078 ))
      3.0 3.0 0.5999999                                                         
      peak 1537 ppm1 0.7283201 ppm2 5.005373 volume 14800000 weight 1.0         
REMARK dnoe: 3.233085 position 6.128452 7.172533                                
ASSI { 1538 }                                                                   
     ( attr rmsd >= 7.112533 and attr rmsd <= 7.232533 )                        
     (( attr rmsd >= 6.088452 and attr rmsd <= 6.168452 )                       
     and bondedto ( attr rmsd >= 53.03670 and attr rmsd <= 54.63670 ))
      3.6 3.6 1.4                                                               
      peak 1538 ppm1 7.172533 ppm2 6.128452 volume 6650000 weight 1.0           
REMARK dnoe: 2.942544 position 6.119705 1.29539                                 
ASSI { 1539 }                                                                   
     ( attr rmsd >= 1.23539 and attr rmsd <= 1.35539 )                          
     (( attr rmsd >= 6.079705 and attr rmsd <= 6.159705 )                       
     and bondedto ( attr rmsd >= 53.04720 and attr rmsd <= 54.64720 ))
      3.0 3.0 0.5999999                                                         
      peak 1539 ppm1 1.29539 ppm2 6.119705 volume 11700000 weight 1.0           
REMARK dnoe: 4.807746 position 0.4107509 7.730967                               
ASSI { 1540 }                                                                   
     ( attr rmsd >= 7.670967 and attr rmsd <= 7.790967 )                        
     (( attr rmsd >= 0.3707509 and attr rmsd <= 0.4507509 )                     
     and bondedto ( attr rmsd >= 25.14930 and attr rmsd <= 26.74930 ))
      4.2 4.2 1.8                                                               
      peak 1540 ppm1 7.730967 ppm2 0.4107509 volume 615000 weight 1.0           
REMARK dnoe: 3.442917 position 0.4148312 6.572251                               
ASSI { 1541 }                                                                   
     ( attr rmsd >= 6.512251 and attr rmsd <= 6.632251 )                        
     (( attr rmsd >= 0.3748312 and attr rmsd <= 0.4548312 )                     
     and bondedto ( attr rmsd >= 25.24204 and attr rmsd <= 26.84204 ))
      3.6 3.6 1.4                                                               
      peak 1541 ppm1 6.572251 ppm2 0.4148312 volume 4560000 weight 1.0          
REMARK dnoe: 3.875961 position 0.4148312 6.465527                               
ASSI { 1542 }                                                                   
     ( attr rmsd >= 6.405527 and attr rmsd <= 6.525527 )                        
     (( attr rmsd >= 0.3748312 and attr rmsd <= 0.4548312 )                     
     and bondedto ( attr rmsd >= 25.23963 and attr rmsd <= 26.83963 ))
      4.2 4.2 1.8                                                               
      peak 1542 ppm1 6.465527 ppm2 0.4148312 volume 2240000 weight 1.0          
REMARK dnoe: 2.667106 position 1.097401 4.11235                                 
ASSI { 1543 }                                                                   
     ( attr rmsd >= 4.05235 and attr rmsd <= 4.17235 )                          
     (( attr rmsd >= 1.057401 and attr rmsd <= 1.137401 )                       
     and bondedto ( attr rmsd >= 24.96270 and attr rmsd <= 26.56270 ))
      3.0 3.0 0.5999999                                                         
      peak 1543 ppm1 4.11235 ppm2 1.097401 volume 21100000 weight 1.0           
REMARK dnoe: 2.756849 position 1.091633 2.953635                                
ASSI { 1544 }                                                                   
     ( attr rmsd >= 2.893635 and attr rmsd <= 3.013635 )                        
     (( attr rmsd >= 1.051633 and attr rmsd <= 1.131633 )                       
     and bondedto ( attr rmsd >= 24.87433 and attr rmsd <= 26.47433 ))
      3.0 3.0 0.5999999                                                         
      peak 1544 ppm1 2.953635 ppm2 1.091633 volume 17300000 weight 1.0          
REMARK dnoe: 2.556579 position 0.6737757 0.9216828                              
ASSI { 1545 }                                                                   
     ( attr rmsd >= 0.8616828 and attr rmsd <= 0.9816828 )                      
     (( attr rmsd >= 0.6337757 and attr rmsd <= 0.7137757 )                     
     and bondedto ( attr rmsd >= 25.55987 and attr rmsd <= 27.15987 ))
      3.0 3.0 0.5999999                                                         
      peak 1545 ppm1 0.9216828 ppm2 0.6737757 volume 27200002 weight 1.0        
REMARK dnoe: 2.778689 position 0.4113841 0.6609302                              
ASSI { 1546 }                                                                   
     ( attr rmsd >= 0.6009302 and attr rmsd <= 0.7209302 )                      
     (( attr rmsd >= 0.3713841 and attr rmsd <= 0.4513841 )                     
     and bondedto ( attr rmsd >= 25.26151 and attr rmsd <= 26.86151 ))
      3.0 3.0 0.5999999                                                         
      peak 1546 ppm1 0.6609302 ppm2 0.4113841 volume 16500001 weight 1.0        
REMARK dnoe: 2.991367 position 0.4098134 1.370342                               
ASSI { 1547 }                                                                   
     ( attr rmsd >= 1.310342 and attr rmsd <= 1.430342 )                        
     (( attr rmsd >= 0.3698134 and attr rmsd <= 0.4498134 )                     
     and bondedto ( attr rmsd >= 25.23832 and attr rmsd <= 26.83832 ))
      3.0 3.0 0.5999999                                                         
      peak 1547 ppm1 1.370342 ppm2 0.4098134 volume 10600000 weight 1.0         
REMARK dnoe: 2.723758 position 5.381585 9.875271                                
ASSI { 1549 }                                                                   
     ( attr rmsd >= 9.81527 and attr rmsd <= 9.935271 )                         
     (( attr rmsd >= 5.341585 and attr rmsd <= 5.421585 )                       
     and bondedto ( attr rmsd >= 52.40890 and attr rmsd <= 54.00890 ))
      3.0 3.0 0.5999999                                                         
      peak 1549 ppm1 9.875271 ppm2 5.381585 volume 18600000 weight 1.0          
REMARK dnoe: 3.212484 position 1.104225 7.781966                                
ASSI { 1550 }                                                                   
     ( attr rmsd >= 7.721966 and attr rmsd <= 7.841966 )                        
     (( attr rmsd >= 1.064225 and attr rmsd <= 1.144225 )                       
     and bondedto ( attr rmsd >= 24.99945 and attr rmsd <= 26.59945 ))
      3.6 3.6 1.4                                                               
      peak 1550 ppm1 7.781966 ppm2 1.104225 volume 6910000 weight 1.0           
REMARK dnoe: 3.355589 position 1.106335 8.413289                                
ASSI { 1551 }                                                                   
     ( attr rmsd >= 8.353289 and attr rmsd <= 8.473289 )                        
     (( attr rmsd >= 1.066335 and attr rmsd <= 1.146335 )                       
     and bondedto ( attr rmsd >= 24.86908 and attr rmsd <= 26.46908 ))
      3.6 3.6 1.4                                                               
      peak 1551 ppm1 8.413289 ppm2 1.106335 volume 5320000 weight 1.0           
REMARK dnoe: 2.509622 position 1.092454 -0.057375                               
ASSI { 1552 }                                                                   
     ( attr rmsd >= -0.117375 and attr rmsd <= 0.002625 )                       
     (( attr rmsd >= 1.052454 and attr rmsd <= 1.132454 )                       
     and bondedto ( attr rmsd >= 24.97845 and attr rmsd <= 26.57845 ))
      3.0 3.0 0.5999999                                                         
      peak 1552 ppm1 -0.057375 ppm2 1.092454 volume 30400000 weight 1.0         
REMARK dnoe: 2.634812 position 1.090155 0.6054626                               
ASSI { 1553 }                                                                   
     ( attr rmsd >= 0.5454626 and attr rmsd <= 0.6654626 )                      
     (( attr rmsd >= 1.050155 and attr rmsd <= 1.130155 )                       
     and bondedto ( attr rmsd >= 25.04408 and attr rmsd <= 26.64408 ))
      3.0 3.0 0.5999999                                                         
      peak 1553 ppm1 0.6054626 ppm2 1.090155 volume 22700000 weight 1.0         
REMARK dnoe: 2.203781 position 1.090155 1.487829                                
ASSI { 1554 }                                                                   
     ( attr rmsd >= 1.427829 and attr rmsd <= 1.547829 )                        
     (( attr rmsd >= 1.050155 and attr rmsd <= 1.130155 )                       
     and bondedto ( attr rmsd >= 24.93471 and attr rmsd <= 26.53471 ))
      2.5 2.5 0.2                                                               
      peak 1554 ppm1 1.487829 ppm2 1.090155 volume 66300000 weight 1.0          
REMARK dnoe: 2.43989 position 5.430452 9.319566                                 
ASSI { 1555 }                                                                   
     ( attr rmsd >= 9.259565 and attr rmsd <= 9.379566 )                        
     (( attr rmsd >= 5.390452 and attr rmsd <= 5.470452 )                       
     and bondedto ( attr rmsd >= 52.12454 and attr rmsd <= 53.72454 ))
      2.5 2.5 0.2                                                               
      peak 1555 ppm1 9.319566 ppm2 5.430452 volume 36000000 weight 1.0          
REMARK dnoe: 2.964042 position 4.529434 1.995779                                
ASSI { 1556 }                                                                   
     ( attr rmsd >= 1.935779 and attr rmsd <= 2.055779 )                        
     (( attr rmsd >= 4.489434 and attr rmsd <= 4.569434 )                       
     and bondedto ( attr rmsd >= 52.60577 and attr rmsd <= 54.20577 ))
      3.0 3.0 0.5999999                                                         
      peak 1556 ppm1 1.995779 ppm2 4.529434 volume 11200000 weight 1.0          
REMARK dnoe: 3.060615 position 4.521367 1.80811                                 
ASSI { 1557 }                                                                   
     ( attr rmsd >= 1.74811 and attr rmsd <= 1.86811 )                          
     (( attr rmsd >= 4.481367 and attr rmsd <= 4.561367 )                       
     and bondedto ( attr rmsd >= 52.54015 and attr rmsd <= 54.14015 ))
      3.6 3.6 1.4                                                               
      peak 1557 ppm1 1.80811 ppm2 4.521367 volume 9240000 weight 1.0            
REMARK dnoe: 3.710552 position 4.523383 2.318831                                
ASSI { 1558 }                                                                   
     ( attr rmsd >= 2.258831 and attr rmsd <= 2.378831 )                        
     (( attr rmsd >= 4.483383 and attr rmsd <= 4.563383 )                       
     and bondedto ( attr rmsd >= 52.59177 and attr rmsd <= 54.19177 ))
      4.2 4.2 1.8                                                               
      peak 1558 ppm1 2.318831 ppm2 4.523383 volume 2910000 weight 1.0           
REMARK dnoe: 2.839178 position 5.413054 0.5264077                               
ASSI { 1559 }                                                                   
     ( attr rmsd >= 0.4664077 and attr rmsd <= 0.5864077 )                      
     (( attr rmsd >= 5.373054 and attr rmsd <= 5.453054 )                       
     and bondedto ( attr rmsd >= 52.19016 and attr rmsd <= 53.79016 ))
      3.0 3.0 0.5999999                                                         
      peak 1559 ppm1 0.5264077 ppm2 5.413054 volume 14500000 weight 1.0         
REMARK dnoe: 2.395427 position 5.384821 0.7489436                               
ASSI { 1560 }                                                                   
     ( attr rmsd >= 0.6889436 and attr rmsd <= 0.8089436 )                      
     (( attr rmsd >= 5.344821 and attr rmsd <= 5.424821 )                       
     and bondedto ( attr rmsd >= 52.37281 and attr rmsd <= 53.97281 ))
      2.5 2.5 0.2                                                               
      peak 1560 ppm1 0.7489436 ppm2 5.384821 volume 40200000 weight 1.0         
REMARK dnoe: 2.443295 position 5.429163 0.9422848                               
ASSI { 1561 }                                                                   
     ( attr rmsd >= 0.8822848 and attr rmsd <= 1.002285 )                       
     (( attr rmsd >= 5.389163 and attr rmsd <= 5.469163 )                       
     and bondedto ( attr rmsd >= 52.14641 and attr rmsd <= 53.74641 ))
      2.5 2.5 0.2                                                               
      peak 1561 ppm1 0.9422848 ppm2 5.429163 volume 35700000 weight 1.0         
REMARK dnoe: 2.686553 position 5.43118 1.08946                                  
ASSI { 1562 }                                                                   
     ( attr rmsd >= 1.02946 and attr rmsd <= 1.14946 )                          
     (( attr rmsd >= 5.39118 and attr rmsd <= 5.47118 )                         
     and bondedto ( attr rmsd >= 52.21204 and attr rmsd <= 53.81204 ))
      3.0 3.0 0.5999999                                                         
      peak 1562 ppm1 1.08946 ppm2 5.43118 volume 20200000 weight 1.0            
REMARK dnoe: 2.642631 position 5.382804 1.264349                                
ASSI { 1563 }                                                                   
     ( attr rmsd >= 1.204349 and attr rmsd <= 1.324349 )                        
     (( attr rmsd >= 5.342804 and attr rmsd <= 5.422804 )                       
     and bondedto ( attr rmsd >= 52.39294 and attr rmsd <= 53.99294 ))
      3.0 3.0 0.5999999                                                         
      peak 1563 ppm1 1.264349 ppm2 5.382804 volume 22300000 weight 1.0          
REMARK dnoe: 2.646602 position 5.384821 1.437389                                
ASSI { 1564 }                                                                   
     ( attr rmsd >= 1.377389 and attr rmsd <= 1.497389 )                        
     (( attr rmsd >= 5.344821 and attr rmsd <= 5.424821 )                       
     and bondedto ( attr rmsd >= 52.36997 and attr rmsd <= 53.96997 ))
      3.0 3.0 0.5999999                                                         
      peak 1564 ppm1 1.437389 ppm2 5.384821 volume 22100000 weight 1.0          
REMARK dnoe: 3.088536 position 0.7784743 6.719148                               
ASSI { 1565 }                                                                   
     ( attr rmsd >= 6.659148 and attr rmsd <= 6.779148 )                        
     (( attr rmsd >= 0.7384742 and attr rmsd <= 0.8184743 )                     
     and bondedto ( attr rmsd >= 24.58428 and attr rmsd <= 26.18428 ))
      3.6 3.6 1.4                                                               
      peak 1565 ppm1 6.719148 ppm2 0.7784743 volume 8750000 weight 1.0          
REMARK dnoe: 3.434186 position 0.7737379 4.0783                                 
ASSI { 1568 }                                                                   
     ( attr rmsd >= 4.0183 and attr rmsd <= 4.1383 )                            
     (( attr rmsd >= 0.7337379 and attr rmsd <= 0.8137379 )                     
     and bondedto ( attr rmsd >= 24.56284 and attr rmsd <= 26.16284 ))
      3.6 3.6 1.4                                                               
      peak 1568 ppm1 4.0783 ppm2 0.7737379 volume 4630000 weight 1.0            
REMARK dnoe: 3.005715 position 0.7804444 3.788525                               
ASSI { 1569 }                                                                   
     ( attr rmsd >= 3.728525 and attr rmsd <= 3.848525 )                        
     (( attr rmsd >= 0.7404444 and attr rmsd <= 0.8204444 )                     
     and bondedto ( attr rmsd >= 24.54097 and attr rmsd <= 26.14097 ))
      3.6 3.6 1.4                                                               
      peak 1569 ppm1 3.788525 ppm2 0.7804444 volume 10300000 weight 1.0         
REMARK dnoe: 3.328016 position 0.7714865 3.52195                                
ASSI { 1570 }                                                                   
     ( attr rmsd >= 3.46195 and attr rmsd <= 3.58195 )                          
     (( attr rmsd >= 0.7314865 and attr rmsd <= 0.8114865 )                     
     and bondedto ( attr rmsd >= 24.57050 and attr rmsd <= 26.17050 ))
      3.6 3.6 1.4                                                               
      peak 1570 ppm1 3.52195 ppm2 0.7714865 volume 5590000 weight 1.0           
REMARK dnoe: 2.845758 position 1.288977 3.806742                                
ASSI { 1573 }                                                                   
     ( attr rmsd >= 3.746742 and attr rmsd <= 3.866742 )                        
     (( attr rmsd >= 1.248977 and attr rmsd <= 1.328977 )                       
     and bondedto ( attr rmsd >= 24.34410 and attr rmsd <= 25.94410 ))
      3.0 3.0 0.5999999                                                         
      peak 1573 ppm1 3.806742 ppm2 1.288977 volume 14300001 weight 1.0          
REMARK dnoe: 2.866161 position 1.198113 3.821178                                
ASSI { 1574 }                                                                   
     ( attr rmsd >= 3.761178 and attr rmsd <= 3.881178 )                        
     (( attr rmsd >= 1.158113 and attr rmsd <= 1.238113 )                       
     and bondedto ( attr rmsd >= 24.32222 and attr rmsd <= 25.92222 ))
      3.0 3.0 0.5999999                                                         
      peak 1574 ppm1 3.821178 ppm2 1.198113 volume 13699999 weight 1.0          
REMARK dnoe: 2.615949 position 1.288977 2.855396                                
ASSI { 1575 }                                                                   
     ( attr rmsd >= 2.795396 and attr rmsd <= 2.915396 )                        
     (( attr rmsd >= 1.248977 and attr rmsd <= 1.328977 )                       
     and bondedto ( attr rmsd >= 24.36597 and attr rmsd <= 25.96597 ))
      3.0 3.0 0.5999999                                                         
      peak 1575 ppm1 2.855396 ppm2 1.288977 volume 23700000 weight 1.0          
REMARK dnoe: 2.519385 position 1.195769 2.853333                                
ASSI { 1576 }                                                                   
     ( attr rmsd >= 2.793333 and attr rmsd <= 2.913333 )                        
     (( attr rmsd >= 1.155769 and attr rmsd <= 1.235769 )                       
     and bondedto ( attr rmsd >= 24.34410 and attr rmsd <= 25.94410 ))
      3.0 3.0 0.5999999                                                         
      peak 1576 ppm1 2.853333 ppm2 1.195769 volume 29700000 weight 1.0          
REMARK dnoe: 2.883976 position 0.769259 2.007186                                
ASSI { 1577 }                                                                   
     ( attr rmsd >= 1.947186 and attr rmsd <= 2.067186 )                        
     (( attr rmsd >= 0.729259 and attr rmsd <= 0.809259 )                       
     and bondedto ( attr rmsd >= 24.62846 and attr rmsd <= 26.22846 ))
      3.0 3.0 0.5999999                                                         
      peak 1577 ppm1 2.007186 ppm2 0.769259 volume 13200000 weight 1.0          
REMARK dnoe: 3.010607 position 0.769259 1.800505                                
ASSI { 1578 }                                                                   
     ( attr rmsd >= 1.740505 and attr rmsd <= 1.860505 )                        
     (( attr rmsd >= 0.729259 and attr rmsd <= 0.809259 )                       
     and bondedto ( attr rmsd >= 24.69409 and attr rmsd <= 26.29409 ))
      3.6 3.6 1.4                                                               
      peak 1578 ppm1 1.800505 ppm2 0.769259 volume 10200000 weight 1.0          
REMARK dnoe: 2.34649 position 0.7804444 1.437668                                
ASSI { 1579 }                                                                   
     ( attr rmsd >= 1.377668 and attr rmsd <= 1.497668 )                        
     (( attr rmsd >= 0.7404444 and attr rmsd <= 0.8204444 )                     
     and bondedto ( attr rmsd >= 24.58231 and attr rmsd <= 26.18231 ))
      2.5 2.5 0.2                                                               
      peak 1579 ppm1 1.437668 ppm2 0.7804444 volume 45500000 weight 1.0         
REMARK dnoe: 2.402451 position 0.7775836 1.091888                               
ASSI { 1580 }                                                                   
     ( attr rmsd >= 1.031888 and attr rmsd <= 1.151888 )                        
     (( attr rmsd >= 0.7375836 and attr rmsd <= 0.8175836 )                     
     and bondedto ( attr rmsd >= 24.59368 and attr rmsd <= 26.19368 ))
      2.5 2.5 0.2                                                               
      peak 1580 ppm1 1.091888 ppm2 0.7775836 volume 39500000 weight 1.0         
REMARK dnoe: 3.235522 position 0.7804444 0.2572556                              
ASSI { 1581 }                                                                   
     ( attr rmsd >= 0.1972556 and attr rmsd <= 0.3172556 )                      
     (( attr rmsd >= 0.7404444 and attr rmsd <= 0.8204444 )                     
     and bondedto ( attr rmsd >= 24.56722 and attr rmsd <= 26.16722 ))
      3.6 3.6 1.4                                                               
      peak 1581 ppm1 0.2572556 ppm2 0.7804444 volume 6620000 weight 1.0         
REMARK dnoe: 2.163304 position 1.417125 1.730709                                
ASSI { 1582 }                                                                   
     ( attr rmsd >= 1.670709 and attr rmsd <= 1.790709 )                        
     (( attr rmsd >= 1.377125 and attr rmsd <= 1.457125 )                       
     and bondedto ( attr rmsd >= 24.32222 and attr rmsd <= 25.92222 ))
      2.5 2.5 0.2                                                               
      peak 1582 ppm1 1.730709 ppm2 1.417125 volume 74100000 weight 1.0          
REMARK dnoe: 2.489558 position 1.300632 1.736895                                
ASSI { 1583 }                                                                   
     ( attr rmsd >= 1.676895 and attr rmsd <= 1.796895 )                        
     (( attr rmsd >= 1.260632 and attr rmsd <= 1.340632 )                       
     and bondedto ( attr rmsd >= 24.32222 and attr rmsd <= 25.92222 ))
      2.5 2.5 0.2                                                               
      peak 1583 ppm1 1.736895 ppm2 1.300632 volume 31900000 weight 1.0          
REMARK dnoe: 2.218524 position 1.312262 1.588302                                
ASSI { 1584 }                                                                   
     ( attr rmsd >= 1.528302 and attr rmsd <= 1.648302 )                        
     (( attr rmsd >= 1.272262 and attr rmsd <= 1.352262 )                       
     and bondedto ( attr rmsd >= 24.30035 and attr rmsd <= 25.90035 ))
      2.5 2.5 0.2                                                               
      peak 1584 ppm1 1.588302 ppm2 1.312262 volume 63700004 weight 1.0          
REMARK dnoe: 1.910879 position 1.421791 1.606884                                
ASSI { 1585 }                                                                   
     ( attr rmsd >= 1.546884 and attr rmsd <= 1.666884 )                        
     (( attr rmsd >= 1.381791 and attr rmsd <= 1.461791 )                       
     and bondedto ( attr rmsd >= 24.25660 and attr rmsd <= 25.85660 ))
      2.5 2.5 0.2                                                               
      peak 1585 ppm1 1.606884 ppm2 1.421791 volume 156000000 weight 1.0         
REMARK dnoe: 2.109859 position 1.528952 1.649956                                
ASSI { 1586 }                                                                   
     ( attr rmsd >= 1.589956 and attr rmsd <= 1.709956 )                        
     (( attr rmsd >= 1.488952 and attr rmsd <= 1.568952 )                       
     and bondedto ( attr rmsd >= 23.99411 and attr rmsd <= 25.59411 ))
      2.5 2.5 0.2                                                               
      peak 1586 ppm1 1.649956 ppm2 1.528952 volume 86100000 weight 1.0          
REMARK dnoe: 3.484922 position 1.283725 8.970928                                
ASSI { 1587 }                                                                   
     ( attr rmsd >= 8.910928 and attr rmsd <= 9.030929 )                        
     (( attr rmsd >= 1.243725 and attr rmsd <= 1.323725 )                       
     and bondedto ( attr rmsd >= 24.23473 and attr rmsd <= 25.83473 ))
      3.6 3.6 1.4                                                               
      peak 1587 ppm1 8.970928 ppm2 1.283725 volume 4240000 weight 1.0           
REMARK dnoe: 3.681607 position 1.185897 8.974646                                
ASSI { 1588 }                                                                   
     ( attr rmsd >= 8.914645 and attr rmsd <= 9.034646 )                        
     (( attr rmsd >= 1.145897 and attr rmsd <= 1.225897 )                       
     and bondedto ( attr rmsd >= 24.30494 and attr rmsd <= 25.90494 ))
      4.2 4.2 1.8                                                               
      peak 1588 ppm1 8.974646 ppm2 1.185897 volume 3050000 weight 1.0           
REMARK dnoe: 4.078558 position 0.7745585 4.315208                               
ASSI { 1589 }                                                                   
     ( attr rmsd >= 4.255208 and attr rmsd <= 4.375208 )                        
     (( attr rmsd >= 0.7345585 and attr rmsd <= 0.8145585 )                     
     and bondedto ( attr rmsd >= 24.49722 and attr rmsd <= 26.09722 ))
      4.2 4.2 1.8                                                               
      peak 1589 ppm1 4.315208 ppm2 0.7745585 volume 0.165e+07 weight 1.0        
REMARK dnoe: 3.320143 position 1.399633 4.23843                                 
ASSI { 1590 }                                                                   
     ( attr rmsd >= 4.17843 and attr rmsd <= 4.29843 )                          
     (( attr rmsd >= 1.359633 and attr rmsd <= 1.439633 )                       
     and bondedto ( attr rmsd >= 24.23473 and attr rmsd <= 25.83473 ))
      3.6 3.6 1.4                                                               
      peak 1590 ppm1 4.23843 ppm2 1.399633 volume 0.567e+07 weight 1.0          
REMARK dnoe: 3.035932 position 1.527968 3.003731                                
ASSI { 1591 }                                                                   
     ( attr rmsd >= 2.943731 and attr rmsd <= 3.063731 )                        
     (( attr rmsd >= 1.487968 and attr rmsd <= 1.567968 )                       
     and bondedto ( attr rmsd >= 24.03786 and attr rmsd <= 25.63786 ))
      3.6 3.6 1.4                                                               
      peak 1591 ppm1 3.003731 ppm2 1.527968 volume 9700000 weight 1.0           
REMARK dnoe: 2.849088 position 1.399633 2.937479                                
ASSI { 1592 }                                                                   
     ( attr rmsd >= 2.877479 and attr rmsd <= 2.997479 )                        
     (( attr rmsd >= 1.359633 and attr rmsd <= 1.439633 )                       
     and bondedto ( attr rmsd >= 24.27848 and attr rmsd <= 25.87848 ))
      3.0 3.0 0.5999999                                                         
      peak 1592 ppm1 2.937479 ppm2 1.399633 volume 14200000 weight 1.0          
REMARK dnoe: 2.934244 position 1.439565 2.981411                                
ASSI { 1593 }                                                                   
     ( attr rmsd >= 2.921411 and attr rmsd <= 3.041411 )                        
     (( attr rmsd >= 1.399565 and attr rmsd <= 1.479565 )                       
     and bondedto ( attr rmsd >= 24.12535 and attr rmsd <= 25.72535 ))
      3.0 3.0 0.5999999                                                         
      peak 1593 ppm1 2.981411 ppm2 1.439565 volume 11900000 weight 1.0          
REMARK dnoe: 2.182369 position 1.188664 1.481191                                
ASSI { 1594 }                                                                   
     ( attr rmsd >= 1.421191 and attr rmsd <= 1.541191 )                        
     (( attr rmsd >= 1.148664 and attr rmsd <= 1.228664 )                       
     and bondedto ( attr rmsd >= 24.37538 and attr rmsd <= 25.97538 ))
      2.5 2.5 0.2                                                               
      peak 1594 ppm1 1.481191 ppm2 1.188664 volume 70300000 weight 1.0          
REMARK dnoe: 2.470565 position 1.533478 1.823684                                
ASSI { 1595 }                                                                   
     ( attr rmsd >= 1.763684 and attr rmsd <= 1.883684 )                        
     (( attr rmsd >= 1.493478 and attr rmsd <= 1.573478 )                       
     and bondedto ( attr rmsd >= 24.10348 and attr rmsd <= 25.70348 ))
      2.5 2.5 0.2                                                               
      peak 1595 ppm1 1.823684 ppm2 1.533478 volume 33400000 weight 1.0          
REMARK dnoe: 2.762197 position 5.430218 9.155655                                
ASSI { 1596 }                                                                   
     ( attr rmsd >= 9.095654 and attr rmsd <= 9.215655 )                        
     (( attr rmsd >= 5.390218 and attr rmsd <= 5.470218 )                       
     and bondedto ( attr rmsd >= 52.05892 and attr rmsd <= 53.65892 ))
      3.0 3.0 0.5999999                                                         
      peak 1596 ppm1 9.155655 ppm2 5.430218 volume 17100000 weight 1.0          
REMARK dnoe: 2.601515 position 5.990925 9.488353                                
ASSI { 1597 }                                                                   
     ( attr rmsd >= 9.428352 and attr rmsd <= 9.548353 )                        
     (( attr rmsd >= 5.950925 and attr rmsd <= 6.030925 )                       
     and bondedto ( attr rmsd >= 51.77455 and attr rmsd <= 53.37455 ))
      3.0 3.0 0.5999999                                                         
      peak 1597 ppm1 9.488353 ppm2 5.990925 volume 24500000 weight 1.0          
REMARK dnoe: 2.926104 position 5.994442 9.255892                                
ASSI { 1598 }                                                                   
     ( attr rmsd >= 9.195891 and attr rmsd <= 9.315892 )                        
     (( attr rmsd >= 5.954442 and attr rmsd <= 6.034442 )                       
     and bondedto ( attr rmsd >= 51.79642 and attr rmsd <= 53.39642 ))
      3.0 3.0 0.5999999                                                         
      peak 1598 ppm1 9.255892 ppm2 5.994442 volume 12100000 weight 1.0          
REMARK dnoe: 3.601561 position 5.992426 8.570884                                
ASSI { 1599 }                                                                   
     ( attr rmsd >= 8.510883 and attr rmsd <= 8.630884 )                        
     (( attr rmsd >= 5.952426 and attr rmsd <= 6.032426 )                       
     and bondedto ( attr rmsd >= 51.86839 and attr rmsd <= 53.46839 ))
      4.2 4.2 1.8                                                               
      peak 1599 ppm1 8.570884 ppm2 5.992426 volume 3480000 weight 1.0           
REMARK dnoe: 2.951012 position 5.994442 6.890706                                
ASSI { 1600 }                                                                   
     ( attr rmsd >= 6.830706 and attr rmsd <= 6.950706 )                        
     (( attr rmsd >= 5.954442 and attr rmsd <= 6.034442 )                       
     and bondedto ( attr rmsd >= 51.77455 and attr rmsd <= 53.37455 ))
      3.0 3.0 0.5999999                                                         
      peak 1600 ppm1 6.890706 ppm2 5.994442 volume 11500000 weight 1.0          
REMARK dnoe: 2.627153 position 5.9913 5.169582                                  
ASSI { 1601 }                                                                   
     ( attr rmsd >= 5.109582 and attr rmsd <= 5.229582 )                        
     (( attr rmsd >= 5.9513 and attr rmsd <= 6.0313 )                           
     and bondedto ( attr rmsd >= 51.77455 and attr rmsd <= 53.37455 ))
      3.0 3.0 0.5999999                                                         
      peak 1601 ppm1 5.169582 ppm2 5.9913 volume 23100000 weight 1.0            
REMARK dnoe: 2.427681 position 5.993082 2.542763                                
ASSI { 1602 }                                                                   
     ( attr rmsd >= 2.482763 and attr rmsd <= 2.602763 )                        
     (( attr rmsd >= 5.953082 and attr rmsd <= 6.033082 )                       
     and bondedto ( attr rmsd >= 51.75267 and attr rmsd <= 53.35267 ))
      2.5 2.5 0.2                                                               
      peak 1602 ppm1 2.542763 ppm2 5.993082 volume 37100000 weight 1.0          
REMARK dnoe: 2.930154 position 6.002227 0.7533257                               
ASSI { 1603 }                                                                   
     ( attr rmsd >= 0.6933257 and attr rmsd <= 0.8133257 )                      
     (( attr rmsd >= 5.962227 and attr rmsd <= 6.042227 )                       
     and bondedto ( attr rmsd >= 51.79642 and attr rmsd <= 53.39642 ))
      3.0 3.0 0.5999999                                                         
      peak 1603 ppm1 0.7533257 ppm2 6.002227 volume 12000000 weight 1.0         
REMARK dnoe: 3.364074 position 4.795038 1.500096                                
ASSI { 1604 }                                                                   
     ( attr rmsd >= 1.440096 and attr rmsd <= 1.560096 )                        
     (( attr rmsd >= 4.755038 and attr rmsd <= 4.835038 )                       
     and bondedto ( attr rmsd >= 50.62046 and attr rmsd <= 52.22046 ))
      3.6 3.6 1.4                                                               
      peak 1604 ppm1 1.500096 ppm2 4.795038 volume 5240000 weight 1.0           
REMARK dnoe: 3.875961 position 1.531813 8.65415                                 
ASSI { 1605 }                                                                   
     ( attr rmsd >= 8.59415 and attr rmsd <= 8.71415 )                          
     (( attr rmsd >= 1.491813 and attr rmsd <= 1.571813 )                       
     and bondedto ( attr rmsd >= 23.94424 and attr rmsd <= 25.54424 ))
      4.2 4.2 1.8                                                               
      peak 1605 ppm1 8.65415 ppm2 1.531813 volume 2240000 weight 1.0            
REMARK dnoe: 3.788191 position 1.440222 8.656212                                
ASSI { 1606 }                                                                   
     ( attr rmsd >= 8.596211 and attr rmsd <= 8.716212 )                        
     (( attr rmsd >= 1.400222 and attr rmsd <= 1.480222 )                       
     and bondedto ( attr rmsd >= 23.98842 and attr rmsd <= 25.58842 ))
      4.2 4.2 1.8                                                               
      peak 1606 ppm1 8.656212 ppm2 1.440222 volume 2570000 weight 1.0           
REMARK dnoe: 3.712681 position 1.29946 4.250288                                 
ASSI { 1607 }                                                                   
     ( attr rmsd >= 4.190288 and attr rmsd <= 4.310288 )                        
     (( attr rmsd >= 1.25946 and attr rmsd <= 1.33946 )                         
     and bondedto ( attr rmsd >= 24.22707 and attr rmsd <= 25.82707 ))
      4.2 4.2 1.8                                                               
      peak 1607 ppm1 4.250288 ppm2 1.29946 volume 2900000 weight 1.0            
REMARK dnoe: 2.748961 position 1.438088 4.729753                                
ASSI { 1608 }                                                                   
     ( attr rmsd >= 4.669753 and attr rmsd <= 4.789753 )                        
     (( attr rmsd >= 1.398088 and attr rmsd <= 1.478088 )                       
     and bondedto ( attr rmsd >= 24.10348 and attr rmsd <= 25.70348 ))
      3.0 3.0 0.5999999                                                         
      peak 1608 ppm1 4.729753 ppm2 1.438088 volume 17600000 weight 1.0          
REMARK dnoe: 2.849088 position 1.53118 4.734179                                 
ASSI { 1609 }                                                                   
     ( attr rmsd >= 4.674179 and attr rmsd <= 4.794179 )                        
     (( attr rmsd >= 1.49118 and attr rmsd <= 1.57118 )                         
     and bondedto ( attr rmsd >= 24.05973 and attr rmsd <= 25.65973 ))
      3.0 3.0 0.5999999                                                         
      peak 1609 ppm1 4.734179 ppm2 1.53118 volume 14200000 weight 1.0           
REMARK dnoe: 2.415888 position 1.44041 1.820484                                 
ASSI { 1610 }                                                                   
     ( attr rmsd >= 1.760484 and attr rmsd <= 1.880484 )                        
     (( attr rmsd >= 1.40041 and attr rmsd <= 1.48041 )                         
     and bondedto ( attr rmsd >= 24.12535 and attr rmsd <= 25.72535 ))
      2.5 2.5 0.2                                                               
      peak 1610 ppm1 1.820484 ppm2 1.44041 volume 38200000 weight 1.0           
REMARK dnoe: 2.964042 position 0.7622483 9.875658                               
ASSI { 1611 }                                                                   
     ( attr rmsd >= 9.815658 and attr rmsd <= 9.935658 )                        
     (( attr rmsd >= 0.7222483 and attr rmsd <= 0.8022483 )                     
     and bondedto ( attr rmsd >= 23.51287 and attr rmsd <= 25.11287 ))
      3.0 3.0 0.5999999                                                         
      peak 1611 ppm1 9.875658 ppm2 0.7622483 volume 11200000 weight 1.0         
REMARK dnoe: 3.010607 position 0.7604892 9.203196                               
ASSI { 1612 }                                                                   
     ( attr rmsd >= 9.143195 and attr rmsd <= 9.263196 )                        
     (( attr rmsd >= 0.7204892 and attr rmsd <= 0.8004892 )                     
     and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
      3.6 3.6 1.4                                                               
      peak 1612 ppm1 9.203196 ppm2 0.7604892 volume 10200000 weight 1.0         
REMARK dnoe: 3.092673 position 0.7622483 6.679599                               
ASSI { 1613 }                                                                   
     ( attr rmsd >= 6.619599 and attr rmsd <= 6.739599 )                        
     (( attr rmsd >= 0.7222483 and attr rmsd <= 0.8022483 )                     
     and bondedto ( attr rmsd >= 23.64106 and attr rmsd <= 25.24106 ))
      3.6 3.6 1.4                                                               
      peak 1613 ppm1 6.679599 ppm2 0.7622483 volume 8680000 weight 1.0          
REMARK dnoe: 2.721325 position 0.7622483 6.849933                               
ASSI { 1614 }                                                                   
     ( attr rmsd >= 6.789933 and attr rmsd <= 6.909933 )                        
     (( attr rmsd >= 0.7222483 and attr rmsd <= 0.8022483 )                     
     and bondedto ( attr rmsd >= 23.62968 and attr rmsd <= 25.22968 ))
      3.0 3.0 0.5999999                                                         
      peak 1614 ppm1 6.849933 ppm2 0.7622483 volume 18700000 weight 1.0         
REMARK dnoe: 2.556579 position 0.7592463 5.396672                               
ASSI { 1615 }                                                                   
     ( attr rmsd >= 5.336672 and attr rmsd <= 5.456672 )                        
     (( attr rmsd >= 0.7192463 and attr rmsd <= 0.7992463 )                     
     and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
      3.0 3.0 0.5999999                                                         
      peak 1615 ppm1 5.396672 ppm2 0.7592463 volume 27200002 weight 1.0         
REMARK dnoe: 2.691012 position 0.7546034 2.693892                               
ASSI { 1616 }                                                                   
     ( attr rmsd >= 2.633892 and attr rmsd <= 2.753892 )                        
     (( attr rmsd >= 0.7146034 and attr rmsd <= 0.7946034 )                     
     and bondedto ( attr rmsd >= 23.55662 and attr rmsd <= 25.15662 ))
      3.0 3.0 0.5999999                                                         
      peak 1616 ppm1 2.693892 ppm2 0.7546034 volume 20000000 weight 1.0         
REMARK dnoe: 2.842455 position 0.7636077 0.26443                                
ASSI { 1617 }                                                                   
     ( attr rmsd >= 0.20443 and attr rmsd <= 0.32443 )                          
     (( attr rmsd >= 0.7236077 and attr rmsd <= 0.8036077 )                     
     and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
      3.0 3.0 0.5999999                                                         
      peak 1617 ppm1 0.26443 ppm2 0.7636077 volume 14399999 weight 1.0          
REMARK dnoe: 2.125361 position 0.7617323 0.9060223                              
ASSI { 1618 }                                                                   
     ( attr rmsd >= 0.8460223 and attr rmsd <= 0.9660223 )                      
     (( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )                     
     and bondedto ( attr rmsd >= 23.60037 and attr rmsd <= 25.20037 ))
      2.5 2.5 0.2                                                               
      peak 1618 ppm1 0.9060223 ppm2 0.7617323 volume 82400000 weight 1.0        
REMARK dnoe: 2.630963 position 0.7636077 1.09786                                
ASSI { 1620 }                                                                   
     ( attr rmsd >= 1.204112 and attr rmsd <= 1.324112 )                        
     (( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )                     
     and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
      2.5 2.5 0.2                                                               
      peak 1620 ppm1 1.264112 ppm2 0.7617323 volume 31300000 weight 1.0         
REMARK dnoe: 2.403466 position 0.7617323 1.44742                                
ASSI { 1621 }                                                                   
     ( attr rmsd >= 1.38742 and attr rmsd <= 1.50742 )                          
     (( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )                     
     and bondedto ( attr rmsd >= 23.53475 and attr rmsd <= 25.13475 ))
      2.5 2.5 0.2                                                               
      peak 1621 ppm1 1.44742 ppm2 0.7617323 volume 39400000 weight 1.0          
REMARK dnoe: 2.914185 position 0.7617323 1.826842                               
ASSI { 1622 }                                                                   
     ( attr rmsd >= 1.766842 and attr rmsd <= 1.886842 )                        
     (( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )                     
     and bondedto ( attr rmsd >= 23.68787 and attr rmsd <= 25.28787 ))
      3.0 3.0 0.5999999                                                         
      peak 1622 ppm1 1.826842 ppm2 0.7617323 volume 12400000 weight 1.0         
REMARK dnoe: 2.859246 position 0.7617323 2.029335                               
ASSI { 1623 }                                                                   
     ( attr rmsd >= 1.969335 and attr rmsd <= 2.089335 )                        
     (( attr rmsd >= 0.7217323 and attr rmsd <= 0.8017323 )                     
     and bondedto ( attr rmsd >= 23.60037 and attr rmsd <= 25.20037 ))
      3.0 3.0 0.5999999                                                         
      peak 1623 ppm1 2.029335 ppm2 0.7617323 volume 13900000 weight 1.0         
REMARK dnoe: 2.795897 position 0.7617323 1.57812                                
ASSI { 1626 }                                                                   
     ( attr rmsd >= 9.046567 and attr rmsd <= 9.166568 )                        
     (( attr rmsd >= 0.7208414 and attr rmsd <= 0.8008415 )                     
     and bondedto ( attr rmsd >= 23.39453 and attr rmsd <= 24.99453 ))
      3.6 3.6 1.4                                                               
      peak 1626 ppm1 9.106567 ppm2 0.7608414 volume 10100000 weight 1.0         
REMARK dnoe: 3.317225 position 1.093626 8.606846                                
ASSI { 1627 }                                                                   
     ( attr rmsd >= 8.546845 and attr rmsd <= 8.666846 )                        
     (( attr rmsd >= 1.053626 and attr rmsd <= 1.133626 )                       
     and bondedto ( attr rmsd >= 23.18476 and attr rmsd <= 24.78476 ))
      3.6 3.6 1.4                                                               
      peak 1627 ppm1 8.606846 ppm2 1.093626 volume 5700000 weight 1.0           
REMARK dnoe: 3.383729 position 1.102513 7.697068                                
ASSI { 1628 }                                                                   
     ( attr rmsd >= 7.637068 and attr rmsd <= 7.757068 )                        
     (( attr rmsd >= 1.062513 and attr rmsd <= 1.142513 )                       
     and bondedto ( attr rmsd >= 23.25038 and attr rmsd <= 24.85038 ))
      3.6 3.6 1.4                                                               
      peak 1628 ppm1 7.697068 ppm2 1.102513 volume 5060000 weight 1.0           
REMARK dnoe: 2.640661 position 0.9494162 6.701898                               
ASSI { 1629 }                                                                   
     ( attr rmsd >= 6.641898 and attr rmsd <= 6.761898 )                        
     (( attr rmsd >= 0.9094162 and attr rmsd <= 0.9894162 )                     
     and bondedto ( attr rmsd >= 22.85664 and attr rmsd <= 24.45664 ))
      3.0 3.0 0.5999999                                                         
      peak 1629 ppm1 6.701898 ppm2 0.9494162 volume 22400000 weight 1.0         
REMARK dnoe: 2.530877 position 0.9472122 5.421377                               
ASSI { 1630 }                                                                   
     ( attr rmsd >= 5.361377 and attr rmsd <= 5.481377 )                        
     (( attr rmsd >= 0.9072122 and attr rmsd <= 0.9872122 )                     
     and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
      3.0 3.0 0.5999999                                                         
      peak 1630 ppm1 5.421377 ppm2 0.9472122 volume 28900000 weight 1.0         
REMARK dnoe: 2.866161 position 1.091117 4.422555                                
ASSI { 1631 }                                                                   
     ( attr rmsd >= 4.362555 and attr rmsd <= 4.482555 )                        
     (( attr rmsd >= 1.051117 and attr rmsd <= 1.131117 )                       
     and bondedto ( attr rmsd >= 23.23288 and attr rmsd <= 24.83288 ))
      3.0 3.0 0.5999999                                                         
      peak 1631 ppm1 4.422555 ppm2 1.091117 volume 13699999 weight 1.0          
REMARK dnoe: 2.504161 position 1.162097 4.318495                                
ASSI { 1632 }                                                                   
     ( attr rmsd >= 4.258495 and attr rmsd <= 4.378495 )                        
     (( attr rmsd >= 1.122097 and attr rmsd <= 1.202097 )                       
     and bondedto ( attr rmsd >= 22.74727 and attr rmsd <= 24.34727 ))
      3.0 3.0 0.5999999                                                         
      peak 1632 ppm1 4.318495 ppm2 1.162097 volume 30800000 weight 1.0          
REMARK dnoe: 3.64659 position 1.093321 3.587493                                 
ASSI { 1633 }                                                                   
     ( attr rmsd >= 3.527493 and attr rmsd <= 3.647493 )                        
     (( attr rmsd >= 1.053321 and attr rmsd <= 1.133321 )                       
     and bondedto ( attr rmsd >= 23.27860 and attr rmsd <= 24.87860 ))
      4.2 4.2 1.8                                                               
      peak 1633 ppm1 3.587493 ppm2 1.093321 volume 0.323e+07 weight 1.0         
REMARK dnoe: 2.798838 position 1.091117 2.748328                                
ASSI { 1634 }                                                                   
     ( attr rmsd >= 2.688328 and attr rmsd <= 2.808328 )                        
     (( attr rmsd >= 1.051117 and attr rmsd <= 1.131117 )                       
     and bondedto ( attr rmsd >= 23.25388 and attr rmsd <= 24.85388 ))
      3.0 3.0 0.5999999                                                         
      peak 1634 ppm1 2.748328 ppm2 1.091117 volume 15800001 weight 1.0          
REMARK dnoe: 2.447888 position 1.089523 1.713952                                
ASSI { 1635 }                                                                   
     ( attr rmsd >= 1.653952 and attr rmsd <= 1.773952 )                        
     (( attr rmsd >= 1.049523 and attr rmsd <= 1.129523 )                       
     and bondedto ( attr rmsd >= 23.25104 and attr rmsd <= 24.85104 ))
      2.5 2.5 0.2                                                               
      peak 1635 ppm1 1.713952 ppm2 1.089523 volume 35300000 weight 1.0          
REMARK dnoe: 2.220854 position 1.089312 1.477195                                
ASSI { 1636 }                                                                   
     ( attr rmsd >= 1.417195 and attr rmsd <= 1.537195 )                        
     (( attr rmsd >= 1.049312 and attr rmsd <= 1.129312 )                       
     and bondedto ( attr rmsd >= 23.25979 and attr rmsd <= 24.85979 ))
      2.5 2.5 0.2                                                               
      peak 1636 ppm1 1.477195 ppm2 1.089312 volume 63300000 weight 1.0          
REMARK dnoe: 2.883976 position 1.089452 0.7476974                               
ASSI { 1637 }                                                                   
     ( attr rmsd >= 0.6876974 and attr rmsd <= 0.8076974 )                      
     (( attr rmsd >= 1.049452 and attr rmsd <= 1.129452 )                       
     and bondedto ( attr rmsd >= 23.25563 and attr rmsd <= 24.85563 ))
      3.0 3.0 0.5999999                                                         
      peak 1637 ppm1 0.7476974 ppm2 1.089452 volume 13200000 weight 1.0         
REMARK dnoe: 2.91812 position 1.09182 0.6192327                                 
ASSI { 1639 }                                                                   
     ( attr rmsd >= 0.4746136 and attr rmsd <= 0.5946136 )                      
     (( attr rmsd >= 0.9069073 and attr rmsd <= 0.9869073 )                     
     and bondedto ( attr rmsd >= 22.74727 and attr rmsd <= 24.34727 ))
      2.5 2.5 0.2                                                               
      peak 1639 ppm1 0.5346136 ppm2 0.9469073 volume 49400000 weight 1.0        
REMARK dnoe: 2.693261 position 0.9438353 9.331638                               
ASSI { 1640 }                                                                   
     ( attr rmsd >= 9.271638 and attr rmsd <= 9.391639 )                        
     (( attr rmsd >= 0.9038353 and attr rmsd <= 0.9838353 )                     
     and bondedto ( attr rmsd >= 22.85664 and attr rmsd <= 24.45664 ))
      3.0 3.0 0.5999999                                                         
      peak 1640 ppm1 9.331638 ppm2 0.9438353 volume 19900000 weight 1.0         
REMARK dnoe: 2.880351 position 0.9353004 9.184334                               
ASSI { 1641 }                                                                   
     ( attr rmsd >= 9.124333 and attr rmsd <= 9.244334 )                        
     (( attr rmsd >= 0.8953004 and attr rmsd <= 0.9753004 )                     
     and bondedto ( attr rmsd >= 22.85664 and attr rmsd <= 24.45664 ))
      3.0 3.0 0.5999999                                                         
      peak 1641 ppm1 9.184334 ppm2 0.9353004 volume 13300000 weight 1.0         
REMARK dnoe: 2.866161 position 0.9440935 6.855174                               
ASSI { 1642 }                                                                   
     ( attr rmsd >= 6.795174 and attr rmsd <= 6.915174 )                        
     (( attr rmsd >= 0.9040935 and attr rmsd <= 0.9840935 )                     
     and bondedto ( attr rmsd >= 22.83477 and attr rmsd <= 24.43477 ))
      3.0 3.0 0.5999999                                                         
      peak 1642 ppm1 6.855174 ppm2 0.9440935 volume 13699999 weight 1.0         
REMARK dnoe: 3.180324 position 0.9476106 7.171137                               
ASSI { 1643 }                                                                   
     ( attr rmsd >= 7.111137 and attr rmsd <= 7.231137 )                        
     (( attr rmsd >= 0.9076106 and attr rmsd <= 0.9876106 )                     
     and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
      3.6 3.6 1.4                                                               
      peak 1643 ppm1 7.171137 ppm2 0.9476106 volume 7340001 weight 1.0          
REMARK dnoe: 2.852446 position 0.6452618 4.069149                               
ASSI { 1644 }                                                                   
     ( attr rmsd >= 4.009149 and attr rmsd <= 4.129149 )                        
     (( attr rmsd >= 0.6052618 and attr rmsd <= 0.6852618 )                     
     and bondedto ( attr rmsd >= 22.81289 and attr rmsd <= 24.41289 ))
      3.0 3.0 0.5999999                                                         
      peak 1644 ppm1 4.069149 ppm2 0.6452618 volume 14100000 weight 1.0         
REMARK dnoe: 2.716504 position 0.2881141 0.7728319                              
ASSI { 1645 }                                                                   
     ( attr rmsd >= 0.7128319 and attr rmsd <= 0.8328319 )                      
     (( attr rmsd >= 0.2481141 and attr rmsd <= 0.3281141 )                     
     and bondedto ( attr rmsd >= 22.87852 and attr rmsd <= 24.47852 ))
      3.0 3.0 0.5999999                                                         
      peak 1645 ppm1 0.7728319 ppm2 0.2881141 volume 18900000 weight 1.0        
REMARK dnoe: 3.105323 position 0.2709727 1.915499                               
ASSI { 1646 }                                                                   
     ( attr rmsd >= 1.855499 and attr rmsd <= 1.975499 )                        
     (( attr rmsd >= 0.2309727 and attr rmsd <= 0.3109727 )                     
     and bondedto ( attr rmsd >= 22.98789 and attr rmsd <= 24.58789 ))
      3.6 3.6 1.4                                                               
      peak 1646 ppm1 1.915499 ppm2 0.2709727 volume 8470000 weight 1.0          
REMARK dnoe: 2.525085 position 0.6443949 1.109653                               
ASSI { 1647 }                                                                   
     ( attr rmsd >= 1.049653 and attr rmsd <= 1.169653 )                        
     (( attr rmsd >= 0.6043949 and attr rmsd <= 0.6843949 )                     
     and bondedto ( attr rmsd >= 22.81289 and attr rmsd <= 24.41289 ))
      3.0 3.0 0.5999999                                                         
      peak 1647 ppm1 1.109653 ppm2 0.6443949 volume 29300002 weight 1.0         
REMARK dnoe: 2.509622 position 0.6462936 1.42944                                
ASSI { 1648 }                                                                   
     ( attr rmsd >= 1.36944 and attr rmsd <= 1.48944 )                          
     (( attr rmsd >= 0.6062936 and attr rmsd <= 0.6862936 )                     
     and bondedto ( attr rmsd >= 22.81289 and attr rmsd <= 24.41289 ))
      3.0 3.0 0.5999999                                                         
      peak 1648 ppm1 1.42944 ppm2 0.6462936 volume 30400000 weight 1.0          
REMARK dnoe: 2.58592 position 0.7682278 0.2718415                               
ASSI { 1649 }                                                                   
     ( attr rmsd >= 0.2118415 and attr rmsd <= 0.3318415 )                      
     (( attr rmsd >= 0.7282278 and attr rmsd <= 0.8082278 )                     
     and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
      3.0 3.0 0.5999999                                                         
      peak 1649 ppm1 0.2718415 ppm2 0.7682278 volume 25400000 weight 1.0        
REMARK dnoe: 2.516569 position 0.7815702 1.906971                               
ASSI { 1650 }                                                                   
     ( attr rmsd >= 1.846971 and attr rmsd <= 1.966971 )                        
     (( attr rmsd >= 0.7415702 and attr rmsd <= 0.8215702 )                     
     and bondedto ( attr rmsd >= 22.92227 and attr rmsd <= 24.52227 ))
      3.0 3.0 0.5999999                                                         
      peak 1650 ppm1 1.906971 ppm2 0.7815702 volume 29900000 weight 1.0         
REMARK dnoe: 2.667106 position 0.9454067 1.397453                               
ASSI { 1652 }                                                                   
     ( attr rmsd >= 1.733974 and attr rmsd <= 1.853974 )                        
     (( attr rmsd >= 0.8977856 and attr rmsd <= 0.9777856 )                     
     and bondedto ( attr rmsd >= 22.90039 and attr rmsd <= 24.50039 ))
      2.5 2.5 0.2                                                               
      peak 1652 ppm1 1.793974 ppm2 0.9377856 volume 39100000 weight 1.0         
REMARK dnoe: 3.976831 position 0.6414871 7.4932                                 
ASSI { 1653 }                                                                   
     ( attr rmsd >= 7.4332 and attr rmsd <= 7.5532 )                            
     (( attr rmsd >= 0.6014871 and attr rmsd <= 0.6814871 )                     
     and bondedto ( attr rmsd >= 22.85948 and attr rmsd <= 24.45948 ))
      4.2 4.2 1.8                                                               
      peak 1653 ppm1 7.4932 ppm2 0.6414871 volume 1920000 weight 1.0            
REMARK dnoe: 3.271062 position 0.6451445 6.939385                               
ASSI { 1654 }                                                                   
     ( attr rmsd >= 6.879385 and attr rmsd <= 6.999385 )                        
     (( attr rmsd >= 0.6051445 and attr rmsd <= 0.6851445 )                     
     and bondedto ( attr rmsd >= 22.87086 and attr rmsd <= 24.47086 ))
      3.6 3.6 1.4                                                               
      peak 1654 ppm1 6.939385 ppm2 0.6451445 volume 6200000 weight 1.0          
REMARK dnoe: 3.095653 position 0.6433153 6.716914                               
ASSI { 1655 }                                                                   
     ( attr rmsd >= 6.656914 and attr rmsd <= 6.776914 )                        
     (( attr rmsd >= 0.6033153 and attr rmsd <= 0.6833153 )                     
     and bondedto ( attr rmsd >= 22.84833 and attr rmsd <= 24.44833 ))
      3.6 3.6 1.4                                                               
      peak 1655 ppm1 6.716914 ppm2 0.6433153 volume 8630000 weight 1.0          
REMARK dnoe: 2.859246 position 1.154475 4.491406                                
ASSI { 1656 }                                                                   
     ( attr rmsd >= 4.431406 and attr rmsd <= 4.551406 )                        
     (( attr rmsd >= 1.114475 and attr rmsd <= 1.194475 )                       
     and bondedto ( attr rmsd >= 22.69018 and attr rmsd <= 24.29018 ))
      3.0 3.0 0.5999999                                                         
      peak 1656 ppm1 4.491406 ppm2 1.154475 volume 13900000 weight 1.0          
REMARK dnoe: 3.23066 position 0.6429172 3.786527                                
ASSI { 1657 }                                                                   
     ( attr rmsd >= 3.726527 and attr rmsd <= 3.846527 )                        
     (( attr rmsd >= 0.6029172 and attr rmsd <= 0.6829172 )                     
     and bondedto ( attr rmsd >= 22.78052 and attr rmsd <= 24.38052 ))
      3.6 3.6 1.4                                                               
      peak 1657 ppm1 3.786527 ppm2 0.6429172 volume 6680000 weight 1.0          
REMARK dnoe: 3.480829 position 0.9454532 3.011444                               
ASSI { 1658 }                                                                   
     ( attr rmsd >= 2.951444 and attr rmsd <= 3.071444 )                        
     (( attr rmsd >= 0.9054532 and attr rmsd <= 0.9854532 )                     
     and bondedto ( attr rmsd >= 22.85883 and attr rmsd <= 24.45883 ))
      3.6 3.6 1.4                                                               
      peak 1658 ppm1 3.011444 ppm2 0.9454532 volume 4270000 weight 1.0          
REMARK dnoe: 2.866161 position 0.942827 1.559881                                
ASSI { 1660 }                                                                   
     ( attr rmsd >= 0.1794462 and attr rmsd <= 0.2994462 )                      
     (( attr rmsd >= 0.9041872 and attr rmsd <= 0.9841872 )                     
     and bondedto ( attr rmsd >= 22.82580 and attr rmsd <= 24.42580 ))
      3.6 3.6 1.4                                                               
      peak 1660 ppm1 0.2394462 ppm2 0.9441872 volume 7690000 weight 1.0         
REMARK dnoe: 3.691763 position 0.9462504 -0.0280094                             
ASSI { 1661 }                                                                   
     ( attr rmsd >= -0.0880094 and attr rmsd <= 0.0319906 )                     
     (( attr rmsd >= 0.9062504 and attr rmsd <= 0.9862504 )                     
     and bondedto ( attr rmsd >= 22.92205 and attr rmsd <= 24.52205 ))
      4.2 4.2 1.8                                                               
      peak 1661 ppm1 -0.0280094 ppm2 0.9462504 volume 3000000 weight 1.0        
REMARK dnoe: 3.193512 position 0.6425185 1.78435                                
ASSI { 1662 }                                                                   
     ( attr rmsd >= 1.72435 and attr rmsd <= 1.84435 )                          
     (( attr rmsd >= 0.6025185 and attr rmsd <= 0.6825185 )                     
     and bondedto ( attr rmsd >= 22.75799 and attr rmsd <= 24.35799 ))
      3.6 3.6 1.4                                                               
      peak 1662 ppm1 1.78435 ppm2 0.6425185 volume 7160000 weight 1.0           
REMARK dnoe: 3.500223 position 0.6422606 1.997369                               
ASSI { 1663 }                                                                   
     ( attr rmsd >= 1.937369 and attr rmsd <= 2.057369 )                        
     (( attr rmsd >= 0.6022606 and attr rmsd <= 0.6822606 )                     
     and bondedto ( attr rmsd >= 22.82186 and attr rmsd <= 24.42186 ))
      3.6 3.6 1.4                                                               
      peak 1663 ppm1 1.997369 ppm2 0.6422606 volume 4130000 weight 1.0          
REMARK dnoe: 3.197244 position 0.9432492 1.995629                               
ASSI { 1664 }                                                                   
     ( attr rmsd >= 1.935629 and attr rmsd <= 2.055629 )                        
     (( attr rmsd >= 0.9032492 and attr rmsd <= 0.9832492 )                     
     and bondedto ( attr rmsd >= 22.80305 and attr rmsd <= 24.40305 ))
      3.6 3.6 1.4                                                               
      peak 1664 ppm1 1.995629 ppm2 0.9432492 volume 7110001 weight 1.0          
REMARK dnoe: 3.444177 position 0.2866602 1.245186                               
ASSI { 1665 }                                                                   
     ( attr rmsd >= 1.185186 and attr rmsd <= 1.305186 )                        
     (( attr rmsd >= 0.2466602 and attr rmsd <= 0.3266602 )                     
     and bondedto ( attr rmsd >= 22.93867 and attr rmsd <= 24.53867 ))
      3.6 3.6 1.4                                                               
      peak 1665 ppm1 1.245186 ppm2 0.2866602 volume 4550000 weight 1.0          
REMARK dnoe: 3.314324 position 0.2804928 1.39408                                
ASSI { 1666 }                                                                   
     ( attr rmsd >= 1.33408 and attr rmsd <= 1.45408 )                          
     (( attr rmsd >= 0.2404928 and attr rmsd <= 0.3204928 )                     
     and bondedto ( attr rmsd >= 22.90870 and attr rmsd <= 24.50870 ))
      3.6 3.6 1.4                                                               
      peak 1666 ppm1 1.39408 ppm2 0.2804928 volume 5730000 weight 1.0           
REMARK dnoe: 2.862689 position 1.156492 1.577497                                
ASSI { 1667 }                                                                   
     ( attr rmsd >= 1.517497 and attr rmsd <= 1.637497 )                        
     (( attr rmsd >= 1.116492 and attr rmsd <= 1.196492 )                       
     and bondedto ( attr rmsd >= 22.59984 and attr rmsd <= 24.19984 ))
      3.0 3.0 0.5999999                                                         
      peak 1667 ppm1 1.577497 ppm2 1.156492 volume 13800000 weight 1.0          
REMARK dnoe: 2.991367 position 1.144768 9.446848                                
ASSI { 1668 }                                                                   
     ( attr rmsd >= 9.386847 and attr rmsd <= 9.506848 )                        
     (( attr rmsd >= 1.104768 and attr rmsd <= 1.184768 )                       
     and bondedto ( attr rmsd >= 22.51103 and attr rmsd <= 24.11103 ))
      3.0 3.0 0.5999999                                                         
      peak 1668 ppm1 9.446848 ppm2 1.144768 volume 10600000 weight 1.0          
REMARK dnoe: 3.169619 position 1.141485 8.672753                                
ASSI { 1669 }                                                                   
     ( attr rmsd >= 8.612753 and attr rmsd <= 8.732754 )                        
     (( attr rmsd >= 1.101485 and attr rmsd <= 1.181485 )                       
     and bondedto ( attr rmsd >= 22.51890 and attr rmsd <= 24.11890 ))
      3.6 3.6 1.4                                                               
      peak 1669 ppm1 8.672753 ppm2 1.141485 volume 7490000 weight 1.0           
REMARK dnoe: 3.249581 position 1.144018 6.890491                                
ASSI { 1670 }                                                                   
     ( attr rmsd >= 6.830491 and attr rmsd <= 6.950491 )                        
     (( attr rmsd >= 1.104018 and attr rmsd <= 1.184018 )                       
     and bondedto ( attr rmsd >= 22.59984 and attr rmsd <= 24.19984 ))
      3.6 3.6 1.4                                                               
      peak 1670 ppm1 6.890491 ppm2 1.144018 volume 6450000 weight 1.0           
REMARK dnoe: 3.593009 position 1.144018 6.573541                                
ASSI { 1671 }                                                                   
     ( attr rmsd >= 6.513541 and attr rmsd <= 6.633541 )                        
     (( attr rmsd >= 1.104018 and attr rmsd <= 1.184018 )                       
     and bondedto ( attr rmsd >= 22.64512 and attr rmsd <= 24.24512 ))
      3.6 3.6 1.4                                                               
      peak 1671 ppm1 6.573541 ppm2 1.144018 volume 0.353e+07 weight 1.0         
REMARK dnoe: 3.936851 position 1.151592 5.001977                                
ASSI { 1672 }                                                                   
     ( attr rmsd >= 4.941977 and attr rmsd <= 5.061977 )                        
     (( attr rmsd >= 1.111592 and attr rmsd <= 1.191592 )                       
     and bondedto ( attr rmsd >= 22.66765 and attr rmsd <= 24.26765 ))
      4.2 4.2 1.8                                                               
      peak 1672 ppm1 5.001977 ppm2 1.151592 volume 2040000 weight 1.0           
REMARK dnoe: 2.866161 position 1.145565 0.4032059                               
ASSI { 1673 }                                                                   
     ( attr rmsd >= 0.3432059 and attr rmsd <= 0.4632059 )                      
     (( attr rmsd >= 1.105565 and attr rmsd <= 1.185565 )                       
     and bondedto ( attr rmsd >= 22.50534 and attr rmsd <= 24.10534 ))
      3.0 3.0 0.5999999                                                         
      peak 1673 ppm1 0.4032059 ppm2 1.145565 volume 13699999 weight 1.0         
REMARK dnoe: 3.400743 position 1.144346 -0.1759362                              
ASSI { 1674 }                                                                   
     ( attr rmsd >= -0.2359362 and attr rmsd <= -0.1159362 )                    
     (( attr rmsd >= 1.104346 and attr rmsd <= 1.184346 )                       
     and bondedto ( attr rmsd >= 22.48565 and attr rmsd <= 24.08565 ))
      3.6 3.6 1.4                                                               
      peak 1674 ppm1 -0.1759362 ppm2 1.144346 volume 4910000 weight 1.0         
REMARK dnoe: 2.575877 position 3.930646 4.766337                                
ASSI { 1675 }                                                                   
     ( attr rmsd >= 4.706337 and attr rmsd <= 4.826337 )                        
     (( attr rmsd >= 3.890646 and attr rmsd <= 3.970646 )                       
     and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
      3.0 3.0 0.5999999                                                         
      peak 1675 ppm1 4.766337 ppm2 3.930646 volume 26000000 weight 1.0          
REMARK dnoe: 2.58762 position 3.692688 4.766337                                 
ASSI { 1676 }                                                                   
     ( attr rmsd >= 4.706337 and attr rmsd <= 4.826337 )                        
     (( attr rmsd >= 3.652688 and attr rmsd <= 3.732688 )                       
     and bondedto ( attr rmsd >= 50.44809 and attr rmsd <= 52.04809 ))
      3.0 3.0 0.5999999                                                         
      peak 1676 ppm1 4.766337 ppm2 3.692688 volume 25300000 weight 1.0          
REMARK dnoe: 2.709383 position 3.80686 4.592631                                 
ASSI { 1677 }                                                                   
     ( attr rmsd >= 4.532631 and attr rmsd <= 4.652631 )                        
     (( attr rmsd >= 3.76686 and attr rmsd <= 3.84686 )                         
     and bondedto ( attr rmsd >= 50.67033 and attr rmsd <= 52.27033 ))
      3.0 3.0 0.5999999                                                         
      peak 1677 ppm1 4.592631 ppm2 3.80686 volume 19200000 weight 1.0           
REMARK dnoe: 2.743789 position 3.649917 4.594693                                
ASSI { 1678 }                                                                   
     ( attr rmsd >= 4.534693 and attr rmsd <= 4.654693 )                        
     (( attr rmsd >= 3.609917 and attr rmsd <= 3.689917 )                       
     and bondedto ( attr rmsd >= 50.67165 and attr rmsd <= 52.27165 ))
      3.0 3.0 0.5999999                                                         
      peak 1678 ppm1 4.594693 ppm2 3.649917 volume 17800000 weight 1.0          
REMARK dnoe: 2.876757 position 3.811268 4.271813                                
ASSI { 1679 }                                                                   
     ( attr rmsd >= 4.211813 and attr rmsd <= 4.331813 )                        
     (( attr rmsd >= 3.771268 and attr rmsd <= 3.851268 )                       
     and bondedto ( attr rmsd >= 50.66312 and attr rmsd <= 52.26312 ))
      3.0 3.0 0.5999999                                                         
      peak 1679 ppm1 4.271813 ppm2 3.811268 volume 13400000 weight 1.0          
REMARK dnoe: 3.056767 position 3.528358 4.271813                                
ASSI { 1680 }                                                                   
     ( attr rmsd >= 4.211813 and attr rmsd <= 4.331813 )                        
     (( attr rmsd >= 3.488358 and attr rmsd <= 3.568358 )                       
     and bondedto ( attr rmsd >= 50.66049 and attr rmsd <= 52.26049 ))
      3.6 3.6 1.4                                                               
      peak 1680 ppm1 4.271813 ppm2 3.528358 volume 9310000 weight 1.0           
REMARK dnoe: 3.15029 position 3.810471 4.12264                                  
ASSI { 1681 }                                                                   
     ( attr rmsd >= 4.06264 and attr rmsd <= 4.18264 )                          
     (( attr rmsd >= 3.770471 and attr rmsd <= 3.850471 )                       
     and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
      3.6 3.6 1.4                                                               
      peak 1681 ppm1 4.12264 ppm2 3.810471 volume 7770000 weight 1.0            
REMARK dnoe: 2.862689 position 3.659039 4.12264                                 
ASSI { 1682 }                                                                   
     ( attr rmsd >= 4.06264 and attr rmsd <= 4.18264 )                          
     (( attr rmsd >= 3.619039 and attr rmsd <= 3.699039 )                       
     and bondedto ( attr rmsd >= 50.44809 and attr rmsd <= 52.04809 ))
      3.0 3.0 0.5999999                                                         
      peak 1682 ppm1 4.12264 ppm2 3.659039 volume 13800000 weight 1.0           
REMARK dnoe: 2.197202 position 3.692688 3.928526                                
ASSI { 1684 }                                                                   
     ( attr rmsd >= 3.868526 and attr rmsd <= 3.988526 )                        
     (( attr rmsd >= 3.652688 and attr rmsd <= 3.732688 )                       
     and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
      2.5 2.5 0.2                                                               
      peak 1684 ppm1 3.928526 ppm2 3.692688 volume 67500000 weight 1.0          
REMARK dnoe: 2.688776 position 3.534033 3.801823                                
ASSI { 1685 }                                                                   
     ( attr rmsd >= 3.741823 and attr rmsd <= 3.861823 )                        
     (( attr rmsd >= 3.494033 and attr rmsd <= 3.574033 )                       
     and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
      3.0 3.0 0.5999999                                                         
      peak 1685 ppm1 3.801823 ppm2 3.534033 volume 20100000 weight 1.0          
REMARK dnoe: 2.125792 position 3.651817 3.799782                                
ASSI { 1686 }                                                                   
     ( attr rmsd >= 3.739782 and attr rmsd <= 3.859782 )                        
     (( attr rmsd >= 3.611817 and attr rmsd <= 3.691817 )                       
     and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
      2.5 2.5 0.2                                                               
      peak 1686 ppm1 3.799782 ppm2 3.651817 volume 82300000 weight 1.0          
REMARK dnoe: 2.059603 position 3.800857 3.648567                                
ASSI { 1687 }                                                                   
     ( attr rmsd >= 3.588567 and attr rmsd <= 3.708567 )                        
     (( attr rmsd >= 3.760857 and attr rmsd <= 3.840857 )                       
     and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
      2.5 2.5 0.2                                                               
      peak 1687 ppm1 3.648567 ppm2 3.800857 volume 99500000 weight 1.0          
REMARK dnoe: 2.328911 position 3.930646 3.691489                                
ASSI { 1688 }                                                                   
     ( attr rmsd >= 3.631489 and attr rmsd <= 3.751489 )                        
     (( attr rmsd >= 3.890646 and attr rmsd <= 3.970646 )                       
     and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
      2.5 2.5 0.2                                                               
      peak 1688 ppm1 3.691489 ppm2 3.930646 volume 47600000 weight 1.0          
REMARK dnoe: 3.161233 position 3.810307 0.5851831                               
ASSI { 1689 }                                                                   
     ( attr rmsd >= 0.5251831 and attr rmsd <= 0.6451831 )                      
     (( attr rmsd >= 3.770307 and attr rmsd <= 3.850307 )                       
     and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
      3.6 3.6 1.4                                                               
      peak 1689 ppm1 0.5851831 ppm2 3.810307 volume 7610000 weight 1.0          
REMARK dnoe: 3.070667 position 3.528241 0.5873961                               
ASSI { 1690 }                                                                   
     ( attr rmsd >= 0.5273961 and attr rmsd <= 0.6473961 )                      
     (( attr rmsd >= 3.488241 and attr rmsd <= 3.568241 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1690 ppm1 0.5873961 ppm2 3.528241 volume 9060000 weight 1.0          
REMARK dnoe: 3.21794 position 3.530094 0.7723594                                
ASSI { 1691 }                                                                   
     ( attr rmsd >= 0.7123594 and attr rmsd <= 0.8323594 )                      
     (( attr rmsd >= 3.490094 and attr rmsd <= 3.570094 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1691 ppm1 0.7723594 ppm2 3.530094 volume 6840000 weight 1.0          
REMARK dnoe: 3.229051 position 3.810307 0.7701676                               
ASSI { 1692 }                                                                   
     ( attr rmsd >= 0.7101676 and attr rmsd <= 0.8301676 )                      
     (( attr rmsd >= 3.770307 and attr rmsd <= 3.850307 )                       
     and bondedto ( attr rmsd >= 50.51590 and attr rmsd <= 52.11590 ))
      3.6 3.6 1.4                                                               
      peak 1692 ppm1 0.7701676 ppm2 3.810307 volume 6700000 weight 1.0          
REMARK dnoe: 3.271062 position 3.806578 1.162156                                
ASSI { 1693 }                                                                   
     ( attr rmsd >= 1.102156 and attr rmsd <= 1.222156 )                        
     (( attr rmsd >= 3.766578 and attr rmsd <= 3.846578 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1693 ppm1 1.162156 ppm2 3.806578 volume 6200000 weight 1.0           
REMARK dnoe: 3.129816 position 3.650715 1.17756                                 
ASSI { 1694 }                                                                   
     ( attr rmsd >= 1.11756 and attr rmsd <= 1.23756 )                          
     (( attr rmsd >= 3.610715 and attr rmsd <= 3.690715 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1694 ppm1 1.17756 ppm2 3.650715 volume 8080001 weight 1.0            
REMARK dnoe: 2.942544 position 3.530094 2.003384                                
ASSI { 1695 }                                                                   
     ( attr rmsd >= 1.943384 and attr rmsd <= 2.063384 )                        
     (( attr rmsd >= 3.490094 and attr rmsd <= 3.570094 )                       
     and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
      3.0 3.0 0.5999999                                                         
      peak 1695 ppm1 2.003384 ppm2 3.530094 volume 11700000 weight 1.0          
REMARK dnoe: 2.991367 position 3.669262 2.208176                                
ASSI { 1696 }                                                                   
     ( attr rmsd >= 2.148176 and attr rmsd <= 2.268176 )                        
     (( attr rmsd >= 3.629262 and attr rmsd <= 3.709262 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.0 3.0 0.5999999                                                         
      peak 1696 ppm1 2.208176 ppm2 3.669262 volume 10600000 weight 1.0          
REMARK dnoe: 3.314324 position 3.806578 2.245619                                
ASSI { 1697 }                                                                   
     ( attr rmsd >= 2.185619 and attr rmsd <= 2.305619 )                        
     (( attr rmsd >= 3.766578 and attr rmsd <= 3.846578 )                       
     and bondedto ( attr rmsd >= 50.40282 and attr rmsd <= 52.00282 ))
      3.6 3.6 1.4                                                               
      peak 1697 ppm1 2.245619 ppm2 3.806578 volume 5730000 weight 1.0           
REMARK dnoe: 3.406549 position 3.929051 2.210388                                
ASSI { 1698 }                                                                   
     ( attr rmsd >= 2.150388 and attr rmsd <= 2.270388 )                        
     (( attr rmsd >= 3.889051 and attr rmsd <= 3.969051 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1698 ppm1 2.210388 ppm2 3.929051 volume 4860000 weight 1.0           
REMARK dnoe: 2.938374 position 3.929051 2.058444                                
ASSI { 1699 }                                                                   
     ( attr rmsd >= 1.998444 and attr rmsd <= 2.118444 )                        
     (( attr rmsd >= 3.889051 and attr rmsd <= 3.969051 )                       
     and bondedto ( attr rmsd >= 50.42556 and attr rmsd <= 52.02556 ))
      3.0 3.0 0.5999999                                                         
      peak 1699 ppm1 2.058444 ppm2 3.929051 volume 11800000 weight 1.0          
REMARK dnoe: 2.648603 position 3.925346 1.924093                                
ASSI { 1700 }                                                                   
     ( attr rmsd >= 1.864093 and attr rmsd <= 1.984093 )                        
     (( attr rmsd >= 3.885346 and attr rmsd <= 3.965346 )                       
     and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
      3.0 3.0 0.5999999                                                         
      peak 1700 ppm1 1.924093 ppm2 3.925346 volume 22000000 weight 1.0          
REMARK dnoe: 2.697799 position 3.79544 1.974748                                 
ASSI { 1701 }                                                                   
     ( attr rmsd >= 1.914748 and attr rmsd <= 2.034748 )                        
     (( attr rmsd >= 3.75544 and attr rmsd <= 3.83544 )                         
     and bondedto ( attr rmsd >= 50.49315 and attr rmsd <= 52.09315 ))
      3.0 3.0 0.5999999                                                         
      peak 1701 ppm1 1.974748 ppm2 3.79544 volume 19700000 weight 1.0           
REMARK dnoe: 2.671343 position 3.799169 1.888862                                
ASSI { 1702 }                                                                   
     ( attr rmsd >= 1.828862 and attr rmsd <= 1.948862 )                        
     (( attr rmsd >= 3.759169 and attr rmsd <= 3.839169 )                       
     and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
      3.0 3.0 0.5999999                                                         
      peak 1702 ppm1 1.888862 ppm2 3.799169 volume 20900000 weight 1.0          
REMARK dnoe: 2.409621 position 3.665558 1.919689                                
ASSI { 1703 }                                                                   
     ( attr rmsd >= 1.859689 and attr rmsd <= 1.979689 )                        
     (( attr rmsd >= 3.625558 and attr rmsd <= 3.705558 )                       
     and bondedto ( attr rmsd >= 50.49315 and attr rmsd <= 52.09315 ))
      2.5 2.5 0.2                                                               
      peak 1703 ppm1 1.919689 ppm2 3.665558 volume 38800000 weight 1.0          
REMARK dnoe: 3.025623 position 3.691539 1.690665                                
ASSI { 1704 }                                                                   
     ( attr rmsd >= 1.630665 and attr rmsd <= 1.750665 )                        
     (( attr rmsd >= 3.651539 and attr rmsd <= 3.731539 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1704 ppm1 1.690665 ppm2 3.691539 volume 9900000 weight 1.0           
REMARK dnoe: 3.281734 position 3.927199 1.681858                                
ASSI { 1705 }                                                                   
     ( attr rmsd >= 1.621858 and attr rmsd <= 1.741858 )                        
     (( attr rmsd >= 3.887199 and attr rmsd <= 3.967199 )                       
     and bondedto ( attr rmsd >= 50.38028 and attr rmsd <= 51.98028 ))
      3.6 3.6 1.4                                                               
      peak 1705 ppm1 1.681858 ppm2 3.927199 volume 6080000 weight 1.0           
REMARK dnoe: 3.206327 position 3.819569 1.675263                                
ASSI { 1706 }                                                                   
     ( attr rmsd >= 1.615263 and attr rmsd <= 1.735263 )                        
     (( attr rmsd >= 3.779569 and attr rmsd <= 3.859569 )                       
     and bondedto ( attr rmsd >= 50.35775 and attr rmsd <= 51.95775 ))
      3.6 3.6 1.4                                                               
      peak 1706 ppm1 1.675263 ppm2 3.819569 volume 6990000 weight 1.0           
REMARK dnoe: 2.930154 position 7.350109 9.852543                                
ASSI { 1707 }                                                                   
     ( attr rmsd >= 9.792542 and attr rmsd <= 9.912543 )                        
     (( attr rmsd >= 7.310109 and attr rmsd <= 7.390109 )                       
     and bondedto ( attr rmsd >= 114.0595 and attr rmsd <= 115.6595 ))
      3.0 3.0 0.5999999                                                         
      peak 1707 ppm1 9.852543 ppm2 7.350109 volume 12000000 weight 1.0          
REMARK dnoe: 3.049711 position 7.308769 10.00756                                
ASSI { 1708 }                                                                   
     ( attr rmsd >= 9.947559 and attr rmsd <= 10.06756 )                        
     (( attr rmsd >= 7.268769 and attr rmsd <= 7.348769 )                       
     and bondedto ( attr rmsd >= 113.8086 and attr rmsd <= 115.4086 ))
      3.6 3.6 1.4                                                               
      peak 1708 ppm1 10.00756 ppm2 7.308769 volume 9440000 weight 1.0           
REMARK dnoe: 2.212772 position 7.350391 7.022092                                
ASSI { 1709 }                                                                   
     ( attr rmsd >= 6.962092 and attr rmsd <= 7.082092 )                        
     (( attr rmsd >= 7.310391 and attr rmsd <= 7.390391 )                       
     and bondedto ( attr rmsd >= 113.8716 and attr rmsd <= 115.4716 ))
      2.5 2.5 0.2                                                               
      peak 1709 ppm1 7.022092 ppm2 7.350391 volume 64700000 weight 1.0          
REMARK dnoe: 2.209934 position 7.309895 6.956077                                
ASSI { 1710 }                                                                   
     ( attr rmsd >= 6.896077 and attr rmsd <= 7.016077 )                        
     (( attr rmsd >= 7.269895 and attr rmsd <= 7.349895 )                       
     and bondedto ( attr rmsd >= 113.8432 and attr rmsd <= 115.4431 ))
      2.5 2.5 0.2                                                               
      peak 1710 ppm1 6.956077 ppm2 7.309895 volume 65200000 weight 1.0          
REMARK dnoe: 2.842455 position 7.34971 0.1697145                                
ASSI { 1711 }                                                                   
     ( attr rmsd >= 0.1097145 and attr rmsd <= 0.2297145 )                      
     (( attr rmsd >= 7.30971 and attr rmsd <= 7.38971 )                         
     and bondedto ( attr rmsd >= 113.9013 and attr rmsd <= 115.5013 ))
      3.0 3.0 0.5999999                                                         
      peak 1711 ppm1 0.1697145 ppm2 7.34971 volume 14399999 weight 1.0          
REMARK dnoe: 3.397292 position 7.3476 -0.0679445                                
ASSI { 1712 }                                                                   
     ( attr rmsd >= -0.1279445 and attr rmsd <= -0.0079445 )                    
     (( attr rmsd >= 7.3076 and attr rmsd <= 7.3876 )                           
     and bondedto ( attr rmsd >= 113.9013 and attr rmsd <= 115.5013 ))
      3.6 3.6 1.4                                                               
      peak 1712 ppm1 -0.0679445 ppm2 7.3476 volume 4940000 weight 1.0           
REMARK dnoe: 2.709383 position 7.349898 1.507657                                
ASSI { 1713 }                                                                   
     ( attr rmsd >= 1.447657 and attr rmsd <= 1.567657 )                        
     (( attr rmsd >= 7.309898 and attr rmsd <= 7.389898 )                       
     and bondedto ( attr rmsd >= 114.0367 and attr rmsd <= 115.6367 ))
      3.0 3.0 0.5999999                                                         
      peak 1713 ppm1 1.507657 ppm2 7.349898 volume 19200000 weight 1.0          
REMARK dnoe: 3.30008 position 7.318852 1.932363                                 
ASSI { 1714 }                                                                   
     ( attr rmsd >= 1.872363 and attr rmsd <= 1.992363 )                        
     (( attr rmsd >= 7.278852 and attr rmsd <= 7.358852 )                       
     and bondedto ( attr rmsd >= 113.8561 and attr rmsd <= 115.4561 ))
      3.6 3.6 1.4                                                               
      peak 1714 ppm1 1.932363 ppm2 7.318852 volume 5880000 weight 1.0           
REMARK dnoe: 3.549142 position 7.309097 2.192021                                
ASSI { 1715 }                                                                   
     ( attr rmsd >= 2.132021 and attr rmsd <= 2.252021 )                        
     (( attr rmsd >= 7.269097 and attr rmsd <= 7.349097 )                       
     and bondedto ( attr rmsd >= 113.7885 and attr rmsd <= 115.3885 ))
      3.6 3.6 1.4                                                               
      peak 1715 ppm1 2.192021 ppm2 7.309097 volume 3800000 weight 1.0           
REMARK dnoe: 3.460857 position 6.882494 8.665621                                
ASSI { 1716 }                                                                   
     ( attr rmsd >= 8.60562 and attr rmsd <= 8.725621 )                         
     (( attr rmsd >= 6.842494 and attr rmsd <= 6.922494 )                       
     and bondedto ( attr rmsd >= 117.2074 and attr rmsd <= 118.8074 ))
      3.6 3.6 1.4                                                               
      peak 1716 ppm1 8.665621 ppm2 6.882494 volume 4420000 weight 1.0           
REMARK dnoe: 2.302284 position 6.882799 6.572745                                
ASSI { 1717 }                                                                   
     ( attr rmsd >= 6.512745 and attr rmsd <= 6.632745 )                        
     (( attr rmsd >= 6.842799 and attr rmsd <= 6.922799 )                       
     and bondedto ( attr rmsd >= 117.2755 and attr rmsd <= 118.8755 ))
      2.5 2.5 0.2                                                               
      peak 1717 ppm1 6.572745 ppm2 6.882799 volume 51000000 weight 1.0          
REMARK dnoe: 1.988092 position 6.743185 7.043789                                
ASSI { 1718 }                                                                   
     ( attr rmsd >= 6.983789 and attr rmsd <= 7.103789 )                        
     (( attr rmsd >= 6.703185 and attr rmsd <= 6.783185 )                       
     and bondedto ( attr rmsd >= 117.3890 and attr rmsd <= 118.9890 ))
      2.5 2.5 0.2                                                               
      peak 1718 ppm1 7.043789 ppm2 6.743185 volume 123000000 weight 1.0         
REMARK dnoe: 2.591045 position 6.743349 7.18089                                 
ASSI { 1719 }                                                                   
     ( attr rmsd >= 7.12089 and attr rmsd <= 7.24089 )                          
     (( attr rmsd >= 6.703349 and attr rmsd <= 6.783349 )                       
     and bondedto ( attr rmsd >= 117.2755 and attr rmsd <= 118.8755 ))
      3.0 3.0 0.5999999                                                         
      peak 1719 ppm1 7.18089 ppm2 6.743349 volume 25099998 weight 1.0           
REMARK dnoe: 2.010501 position 6.677482 6.848235                                
ASSI { 1720 }                                                                   
     ( attr rmsd >= 6.788235 and attr rmsd <= 6.908235 )                        
     (( attr rmsd >= 6.637482 and attr rmsd <= 6.717482 )                       
     and bondedto ( attr rmsd >= 117.1376 and attr rmsd <= 118.7377 ))
      2.5 2.5 0.2                                                               
      peak 1720 ppm1 6.848235 ppm2 6.677482 volume 115000000 weight 1.0         
REMARK dnoe: 1.96236 position 6.739879 6.886775                                 
ASSI { 1721 }                                                                   
     ( attr rmsd >= 6.826775 and attr rmsd <= 6.946775 )                        
     (( attr rmsd >= 6.699879 and attr rmsd <= 6.779879 )                       
     and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
      2.5 2.5 0.2                                                               
      peak 1721 ppm1 6.886775 ppm2 6.739879 volume 133000000 weight 1.0         
REMARK dnoe: 2.126654 position 6.56127 6.723122                                 
ASSI { 1722 }                                                                   
     ( attr rmsd >= 6.663122 and attr rmsd <= 6.783122 )                        
     (( attr rmsd >= 6.52127 and attr rmsd <= 6.60127 )                         
     and bondedto ( attr rmsd >= 117.3435 and attr rmsd <= 118.9435 ))
      2.5 2.5 0.2                                                               
      peak 1722 ppm1 6.723122 ppm2 6.56127 volume 82100000 weight 1.0           
REMARK dnoe: 2.057883 position 6.73948 6.592832                                 
ASSI { 1724 }                                                                   
     ( attr rmsd >= 6.532832 and attr rmsd <= 6.652832 )                        
     (( attr rmsd >= 6.69948 and attr rmsd <= 6.77948 )                         
     and bondedto ( attr rmsd >= 117.3433 and attr rmsd <= 118.9433 ))
      2.5 2.5 0.2                                                               
      peak 1724 ppm1 6.592832 ppm2 6.73948 volume 100000000 weight 1.0          
REMARK dnoe: 3.487669 position 6.884112 4.982965                                
ASSI { 1725 }                                                                   
     ( attr rmsd >= 4.922965 and attr rmsd <= 5.042965 )                        
     (( attr rmsd >= 6.844112 and attr rmsd <= 6.924112 )                       
     and bondedto ( attr rmsd >= 117.1486 and attr rmsd <= 118.7486 ))
      3.6 3.6 1.4                                                               
      peak 1725 ppm1 4.982965 ppm2 6.884112 volume 4220000 weight 1.0           
REMARK dnoe: 3.428044 position 6.886457 3.992092                                
ASSI { 1726 }                                                                   
     ( attr rmsd >= 3.932092 and attr rmsd <= 4.052092 )                        
     (( attr rmsd >= 6.846457 and attr rmsd <= 6.926457 )                       
     and bondedto ( attr rmsd >= 117.1497 and attr rmsd <= 118.7497 ))
      3.6 3.6 1.4                                                               
      peak 1726 ppm1 3.992092 ppm2 6.886457 volume 4680000 weight 1.0           
REMARK dnoe: 2.566101 position 6.678302 3.720727                                
ASSI { 1727 }                                                                   
     ( attr rmsd >= 3.660727 and attr rmsd <= 3.780727 )                        
     (( attr rmsd >= 6.638302 and attr rmsd <= 6.718302 )                       
     and bondedto ( attr rmsd >= 117.2527 and attr rmsd <= 118.8527 ))
      3.0 3.0 0.5999999                                                         
      peak 1727 ppm1 3.720727 ppm2 6.678302 volume 26600000 weight 1.0          
REMARK dnoe: 2.955311 position 6.561387 3.731768                                
ASSI { 1728 }                                                                   
     ( attr rmsd >= 3.671768 and attr rmsd <= 3.791768 )                        
     (( attr rmsd >= 6.521387 and attr rmsd <= 6.601387 )                       
     and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
      3.0 3.0 0.5999999                                                         
      peak 1728 ppm1 3.731768 ppm2 6.561387 volume 11400000 weight 1.0          
REMARK dnoe: 3.64284 position 6.743794 3.177223                                 
ASSI { 1729 }                                                                   
     ( attr rmsd >= 3.117223 and attr rmsd <= 3.237223 )                        
     (( attr rmsd >= 6.703794 and attr rmsd <= 6.783794 )                       
     and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
      4.2 4.2 1.8                                                               
      peak 1729 ppm1 3.177223 ppm2 6.743794 volume 3250000 weight 1.0           
REMARK dnoe: 3.010607 position 6.743794 2.958511                                
ASSI { 1730 }                                                                   
     ( attr rmsd >= 2.898511 and attr rmsd <= 3.018511 )                        
     (( attr rmsd >= 6.703794 and attr rmsd <= 6.783794 )                       
     and bondedto ( attr rmsd >= 117.3890 and attr rmsd <= 118.9890 ))
      3.6 3.6 1.4                                                               
      peak 1730 ppm1 2.958511 ppm2 6.743794 volume 10200000 weight 1.0          
REMARK dnoe: 3.136974 position 6.690003 2.664676                                
ASSI { 1731 }                                                                   
     ( attr rmsd >= 2.604676 and attr rmsd <= 2.724676 )                        
     (( attr rmsd >= 6.650003 and attr rmsd <= 6.730003 )                       
     and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
      3.6 3.6 1.4                                                               
      peak 1731 ppm1 2.664676 ppm2 6.690003 volume 7970000 weight 1.0           
REMARK dnoe: 3.349323 position 6.673636 2.909896                                
ASSI { 1732 }                                                                   
     ( attr rmsd >= 2.849896 and attr rmsd <= 2.969896 )                        
     (( attr rmsd >= 6.633636 and attr rmsd <= 6.713636 )                       
     and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
      3.6 3.6 1.4                                                               
      peak 1732 ppm1 2.909896 ppm2 6.673636 volume 5380000 weight 1.0           
REMARK dnoe: 2.691012 position 6.885003 2.085297                                
ASSI { 1733 }                                                                   
     ( attr rmsd >= 2.025297 and attr rmsd <= 2.145297 )                        
     (( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )                       
     and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
      3.0 3.0 0.5999999                                                         
      peak 1733 ppm1 2.085297 ppm2 6.885003 volume 20000000 weight 1.0          
REMARK dnoe: 2.350816 position 6.885003 1.866713                                
ASSI { 1734 }                                                                   
     ( attr rmsd >= 1.806713 and attr rmsd <= 1.926713 )                        
     (( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )                       
     and bondedto ( attr rmsd >= 117.1473 and attr rmsd <= 118.7473 ))
      2.5 2.5 0.2                                                               
      peak 1734 ppm1 1.866713 ppm2 6.885003 volume 45000000 weight 1.0          
REMARK dnoe: 2.849088 position 6.885003 1.136592                                
ASSI { 1735 }                                                                   
     ( attr rmsd >= 1.076592 and attr rmsd <= 1.196592 )                        
     (( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )                       
     and bondedto ( attr rmsd >= 117.1090 and attr rmsd <= 118.7090 ))
      3.0 3.0 0.5999999                                                         
      peak 1735 ppm1 1.136592 ppm2 6.885003 volume 14200000 weight 1.0          
REMARK dnoe: 2.972957 position 6.88988 1.022027                                 
ASSI { 1736 }                                                                   
     ( attr rmsd >= 0.962027 and attr rmsd <= 1.082027 )                        
     (( attr rmsd >= 6.84988 and attr rmsd <= 6.92988 )                         
     and bondedto ( attr rmsd >= 117.1090 and attr rmsd <= 118.7090 ))
      3.0 3.0 0.5999999                                                         
      peak 1736 ppm1 1.022027 ppm2 6.88988 volume 11000000 weight 1.0           
REMARK dnoe: 3.010607 position 6.882565 0.7303183                               
ASSI { 1737 }                                                                   
     ( attr rmsd >= 0.6703183 and attr rmsd <= 0.7903183 )                      
     (( attr rmsd >= 6.842565 and attr rmsd <= 6.922565 )                       
     and bondedto ( attr rmsd >= 117.1619 and attr rmsd <= 118.7619 ))
      3.6 3.6 1.4                                                               
      peak 1737 ppm1 0.7303183 ppm2 6.882565 volume 10200000 weight 1.0         
REMARK dnoe: 2.895048 position 6.885003 0.1114116                               
ASSI { 1738 }                                                                   
     ( attr rmsd >= 0.0514116 and attr rmsd <= 0.1714116 )                      
     (( attr rmsd >= 6.845003 and attr rmsd <= 6.925003 )                       
     and bondedto ( attr rmsd >= 117.1847 and attr rmsd <= 118.7847 ))
      3.0 3.0 0.5999999                                                         
      peak 1738 ppm1 0.1114116 ppm2 6.885003 volume 12899999 weight 1.0         
REMARK dnoe: 3.277258 position 6.882565 -0.1914253                              
ASSI { 1739 }                                                                   
     ( attr rmsd >= -0.2514253 and attr rmsd <= -0.1314253 )                    
     (( attr rmsd >= 6.842565 and attr rmsd <= 6.922565 )                       
     and bondedto ( attr rmsd >= 117.1392 and attr rmsd <= 118.7392 ))
      3.6 3.6 1.4                                                               
      peak 1739 ppm1 -0.1914253 ppm2 6.882565 volume 6130000 weight 1.0         
REMARK dnoe: 2.567712 position 6.680366 0.6648183                               
ASSI { 1741 }                                                                   
     ( attr rmsd >= 0.4736041 and attr rmsd <= 0.5936041 )                      
     (( attr rmsd >= 6.520988 and attr rmsd <= 6.600988 )                       
     and bondedto ( attr rmsd >= 117.3890 and attr rmsd <= 118.9890 ))
      3.0 3.0 0.5999999                                                         
      peak 1741 ppm1 0.5336041 ppm2 6.560988 volume 18200000 weight 1.0         
REMARK dnoe: 2.816956 position 6.560988 1.008837                                
ASSI { 1742 }                                                                   
     ( attr rmsd >= 0.948837 and attr rmsd <= 1.068837 )                        
     (( attr rmsd >= 6.520988 and attr rmsd <= 6.600988 )                       
     and bondedto ( attr rmsd >= 117.3662 and attr rmsd <= 118.9662 ))
      3.0 3.0 0.5999999                                                         
      peak 1742 ppm1 1.008837 ppm2 6.560988 volume 15200000 weight 1.0          
REMARK dnoe: 4.383861 position 7.235585 9.125988                                
ASSI { 1743 }                                                                   
     ( attr rmsd >= 9.065988 and attr rmsd <= 9.185988 )                        
     (( attr rmsd >= 7.195585 and attr rmsd <= 7.275585 )                       
     and bondedto ( attr rmsd >= 118.4221 and attr rmsd <= 120.0221 ))
      4.2 4.2 1.8                                                               
      peak 1743 ppm1 9.125988 ppm2 7.235585 volume 1070000 weight 1.0           
REMARK dnoe: 2.762197 position 7.233499 6.934788                                
ASSI { 1744 }                                                                   
     ( attr rmsd >= 6.874788 and attr rmsd <= 6.994788 )                        
     (( attr rmsd >= 7.193499 and attr rmsd <= 7.273499 )                       
     and bondedto ( attr rmsd >= 118.4617 and attr rmsd <= 120.0617 ))
      3.0 3.0 0.5999999                                                         
      peak 1744 ppm1 6.934788 ppm2 7.233499 volume 17100000 weight 1.0          
REMARK dnoe: 3.474082 position 7.233264 6.570318                                
ASSI { 1745 }                                                                   
     ( attr rmsd >= 6.510318 and attr rmsd <= 6.630318 )                        
     (( attr rmsd >= 7.193264 and attr rmsd <= 7.273264 )                       
     and bondedto ( attr rmsd >= 118.4182 and attr rmsd <= 120.0182 ))
      3.6 3.6 1.4                                                               
      peak 1745 ppm1 6.570318 ppm2 7.233264 volume 4320000 weight 1.0           
REMARK dnoe: 3.338043 position 7.232983 6.139296                                
ASSI { 1746 }                                                                   
     ( attr rmsd >= 6.079296 and attr rmsd <= 6.199296 )                        
     (( attr rmsd >= 7.192983 and attr rmsd <= 7.272983 )                       
     and bondedto ( attr rmsd >= 118.4411 and attr rmsd <= 120.0412 ))
      3.6 3.6 1.4                                                               
      peak 1746 ppm1 6.139296 ppm2 7.232983 volume 5490000 weight 1.0           
REMARK dnoe: 3.138947 position 7.233709 2.975224                                
ASSI { 1747 }                                                                   
     ( attr rmsd >= 2.915224 and attr rmsd <= 3.035224 )                        
     (( attr rmsd >= 7.193709 and attr rmsd <= 7.273709 )                       
     and bondedto ( attr rmsd >= 118.3876 and attr rmsd <= 119.9875 ))
      3.6 3.6 1.4                                                               
      peak 1747 ppm1 2.975224 ppm2 7.233709 volume 7940001 weight 1.0           
REMARK dnoe: 3.385963 position 7.232819 2.785084                                
ASSI { 1748 }                                                                   
     ( attr rmsd >= 2.725084 and attr rmsd <= 2.845084 )                        
     (( attr rmsd >= 7.192819 and attr rmsd <= 7.272819 )                       
     and bondedto ( attr rmsd >= 118.5238 and attr rmsd <= 120.1238 ))
      3.6 3.6 1.4                                                               
      peak 1748 ppm1 2.785084 ppm2 7.232819 volume 5040000 weight 1.0           
REMARK dnoe: 3.411244 position 7.234437 1.425401                                
ASSI { 1749 }                                                                   
     ( attr rmsd >= 1.365401 and attr rmsd <= 1.485401 )                        
     (( attr rmsd >= 7.194437 and attr rmsd <= 7.274437 )                       
     and bondedto ( attr rmsd >= 118.4783 and attr rmsd <= 120.0783 ))
      3.6 3.6 1.4                                                               
      peak 1749 ppm1 1.425401 ppm2 7.234437 volume 4820000 weight 1.0           
REMARK dnoe: 3.218725 position 7.234272 1.325917                                
ASSI { 1750 }                                                                   
     ( attr rmsd >= 1.265917 and attr rmsd <= 1.385917 )                        
     (( attr rmsd >= 7.194272 and attr rmsd <= 7.274272 )                       
     and bondedto ( attr rmsd >= 118.4783 and attr rmsd <= 120.0783 ))
      3.6 3.6 1.4                                                               
      peak 1750 ppm1 1.325917 ppm2 7.234272 volume 6830001 weight 1.0           
REMARK dnoe: 2.829504 position 7.173587 6.800974                                
ASSI { 1751 }                                                                   
     ( attr rmsd >= 6.740974 and attr rmsd <= 6.860974 )                        
     (( attr rmsd >= 7.133587 and attr rmsd <= 7.213587 )                       
     and bondedto ( attr rmsd >= 121.1416 and attr rmsd <= 122.7416 ))
      3.0 3.0 0.5999999                                                         
      peak 1751 ppm1 6.800974 ppm2 7.173587 volume 14800000 weight 1.0          
REMARK dnoe: 2.756849 position 6.935277 7.235348                                
ASSI { 1752 }                                                                   
     ( attr rmsd >= 7.175348 and attr rmsd <= 7.295348 )                        
     (( attr rmsd >= 6.895277 and attr rmsd <= 6.975277 )                       
     and bondedto ( attr rmsd >= 121.0983 and attr rmsd <= 122.6983 ))
      3.0 3.0 0.5999999                                                         
      peak 1752 ppm1 7.235348 ppm2 6.935277 volume 17300000 weight 1.0          
REMARK dnoe: 3.024097 position 6.942922 6.593304                                
ASSI { 1753 }                                                                   
     ( attr rmsd >= 6.533304 and attr rmsd <= 6.653304 )                        
     (( attr rmsd >= 6.902922 and attr rmsd <= 6.982922 )                       
     and bondedto ( attr rmsd >= 121.0966 and attr rmsd <= 122.6966 ))
      3.6 3.6 1.4                                                               
      peak 1753 ppm1 6.593304 ppm2 6.942922 volume 9930000 weight 1.0           
REMARK dnoe: 2.898805 position 6.815477 7.170686                                
ASSI { 1754 }                                                                   
     ( attr rmsd >= 7.110686 and attr rmsd <= 7.230686 )                        
     (( attr rmsd >= 6.775477 and attr rmsd <= 6.855477 )                       
     and bondedto ( attr rmsd >= 121.0683 and attr rmsd <= 122.6684 ))
      3.0 3.0 0.5999999                                                         
      peak 1754 ppm1 7.170686 ppm2 6.815477 volume 12800001 weight 1.0          
REMARK dnoe: 2.914185 position 6.83079 7.02134                                  
ASSI { 1755 }                                                                   
     ( attr rmsd >= 6.96134 and attr rmsd <= 7.08134 )                          
     (( attr rmsd >= 6.79079 and attr rmsd <= 6.87079 )                         
     and bondedto ( attr rmsd >= 121.0922 and attr rmsd <= 122.6922 ))
      3.0 3.0 0.5999999                                                         
      peak 1755 ppm1 7.02134 ppm2 6.83079 volume 12400000 weight 1.0            
REMARK dnoe: 2.845758 position 7.183975 1.782932                                
ASSI { 1756 }                                                                   
     ( attr rmsd >= 1.722932 and attr rmsd <= 1.842932 )                        
     (( attr rmsd >= 7.143975 and attr rmsd <= 7.223975 )                       
     and bondedto ( attr rmsd >= 121.0736 and attr rmsd <= 122.6736 ))
      3.0 3.0 0.5999999                                                         
      peak 1756 ppm1 1.782932 ppm2 7.183975 volume 14300001 weight 1.0          
REMARK dnoe: 3.348286 position 6.815289 1.799882                                
ASSI { 1757 }                                                                   
     ( attr rmsd >= 1.739882 and attr rmsd <= 1.859882 )                        
     (( attr rmsd >= 6.775289 and attr rmsd <= 6.855289 )                       
     and bondedto ( attr rmsd >= 121.0605 and attr rmsd <= 122.6605 ))
      3.6 3.6 1.4                                                               
      peak 1757 ppm1 1.799882 ppm2 6.815289 volume 0.539e+07 weight 1.0         
REMARK dnoe: 3.069538 position 6.820449 1.501341                                
ASSI { 1758 }                                                                   
     ( attr rmsd >= 1.441341 and attr rmsd <= 1.561341 )                        
     (( attr rmsd >= 6.780449 and attr rmsd <= 6.860449 )                       
     and bondedto ( attr rmsd >= 121.0821 and attr rmsd <= 122.6821 ))
      3.6 3.6 1.4                                                               
      peak 1758 ppm1 1.501341 ppm2 6.820449 volume 9080000 weight 1.0           
REMARK dnoe: 3.314324 position 6.935324 1.886757                                
ASSI { 1759 }                                                                   
     ( attr rmsd >= 1.826757 and attr rmsd <= 1.946757 )                        
     (( attr rmsd >= 6.895324 and attr rmsd <= 6.975324 )                       
     and bondedto ( attr rmsd >= 121.0336 and attr rmsd <= 122.6336 ))
      3.6 3.6 1.4                                                               
      peak 1759 ppm1 1.886757 ppm2 6.935324 volume 5730000 weight 1.0           
REMARK dnoe: 4.370351 position 6.935324 2.21215                                 
ASSI { 1760 }                                                                   
     ( attr rmsd >= 2.15215 and attr rmsd <= 2.27215 )                          
     (( attr rmsd >= 6.895324 and attr rmsd <= 6.975324 )                       
     and bondedto ( attr rmsd >= 121.1392 and attr rmsd <= 122.7392 ))
      4.2 4.2 1.8                                                               
      peak 1760 ppm1 2.21215 ppm2 6.935324 volume 1090000 weight 1.0            
REMARK dnoe: 2.508249 position 7.040937 7.345445                                
ASSI { 1761 }                                                                   
     ( attr rmsd >= 7.285445 and attr rmsd <= 7.405445 )                        
     (( attr rmsd >= 7.000937 and attr rmsd <= 7.080937 )                       
     and bondedto ( attr rmsd >= 123.5703 and attr rmsd <= 125.1703 ))
      3.0 3.0 0.5999999                                                         
      peak 1761 ppm1 7.345445 ppm2 7.040937 volume 30500000 weight 1.0          
REMARK dnoe: 2.555016 position 6.95692 7.299816                                 
ASSI { 1762 }                                                                   
     ( attr rmsd >= 7.239816 and attr rmsd <= 7.359816 )                        
     (( attr rmsd >= 6.91692 and attr rmsd <= 6.99692 )                         
     and bondedto ( attr rmsd >= 123.7313 and attr rmsd <= 125.3313 ))
      3.0 3.0 0.5999999                                                         
      peak 1762 ppm1 7.299816 ppm2 6.95692 volume 27300000 weight 1.0           
REMARK dnoe: 2.445584 position 7.031933 6.818139                                
ASSI { 1763 }                                                                   
     ( attr rmsd >= 6.758139 and attr rmsd <= 6.878139 )                        
     (( attr rmsd >= 6.991933 and attr rmsd <= 7.071933 )                       
     and bondedto ( attr rmsd >= 123.5929 and attr rmsd <= 125.1929 ))
      2.5 2.5 0.2                                                               
      peak 1763 ppm1 6.818139 ppm2 7.031933 volume 35500000 weight 1.0          
REMARK dnoe: 3.031263 position 6.955654 2.189679                                
ASSI { 1765 }                                                                   
     ( attr rmsd >= 1.890258 and attr rmsd <= 2.010258 )                        
     (( attr rmsd >= 6.916405 and attr rmsd <= 6.996405 )                       
     and bondedto ( attr rmsd >= 123.6707 and attr rmsd <= 125.2708 ))
      3.0 3.0 0.5999999                                                         
      peak 1765 ppm1 1.950258 ppm2 6.956405 volume 14600000 weight 1.0          
REMARK dnoe: 2.955311 position 7.040164 1.502867                                
ASSI { 1766 }                                                                   
     ( attr rmsd >= 1.442867 and attr rmsd <= 1.562867 )                        
     (( attr rmsd >= 7.000164 and attr rmsd <= 7.080164 )                       
     and bondedto ( attr rmsd >= 123.5248 and attr rmsd <= 125.1248 ))
      3.0 3.0 0.5999999                                                         
      peak 1766 ppm1 1.502867 ppm2 7.040164 volume 11400000 weight 1.0          
REMARK dnoe: 2.982062 position 6.628145 9.853853                                
ASSI { 1767 }                                                                   
     ( attr rmsd >= 9.793853 and attr rmsd <= 9.913854 )                        
     (( attr rmsd >= 6.588145 and attr rmsd <= 6.668145 )                       
     and bondedto ( attr rmsd >= 124.9974 and attr rmsd <= 126.5974 ))
      3.0 3.0 0.5999999                                                         
      peak 1767 ppm1 9.853853 ppm2 6.628145 volume 10800000 weight 1.0          
REMARK dnoe: 2.795897 position 7.306096 10.02045                                
ASSI { 1768 }                                                                   
     ( attr rmsd >= 9.960449 and attr rmsd <= 10.08045 )                        
     (( attr rmsd >= 7.266096 and attr rmsd <= 7.346096 )                       
     and bondedto ( attr rmsd >= 127.5876 and attr rmsd <= 129.1876 ))
      3.0 3.0 0.5999999                                                         
      peak 1768 ppm1 10.02045 ppm2 7.306096 volume 15899999 weight 1.0          
REMARK dnoe: 3.214815 position 7.305064 8.265964                                
ASSI { 1769 }                                                                   
     ( attr rmsd >= 8.205963 and attr rmsd <= 8.325964 )                        
     (( attr rmsd >= 7.265064 and attr rmsd <= 7.345064 )                       
     and bondedto ( attr rmsd >= 127.4353 and attr rmsd <= 129.0353 ))
      3.6 3.6 1.4                                                               
      peak 1769 ppm1 8.265964 ppm2 7.305064 volume 6880000 weight 1.0           
REMARK dnoe: 2.353438 position 6.692113 6.849094                                
ASSI { 1770 }                                                                   
     ( attr rmsd >= 6.789094 and attr rmsd <= 6.909094 )                        
     (( attr rmsd >= 6.652113 and attr rmsd <= 6.732113 )                       
     and bondedto ( attr rmsd >= 127.4333 and attr rmsd <= 129.0334 ))
      2.5 2.5 0.2                                                               
      peak 1770 ppm1 6.849094 ppm2 6.692113 volume 44700000 weight 1.0          
REMARK dnoe: 3.252107 position 7.308207 4.123994                                
ASSI { 1771 }                                                                   
     ( attr rmsd >= 4.063994 and attr rmsd <= 4.183994 )                        
     (( attr rmsd >= 7.268207 and attr rmsd <= 7.348207 )                       
     and bondedto ( attr rmsd >= 127.4513 and attr rmsd <= 129.0513 ))
      3.6 3.6 1.4                                                               
      peak 1771 ppm1 4.123994 ppm2 7.308207 volume 6420000 weight 1.0           
REMARK dnoe: 3.129171 position 7.308207 2.985665                                
ASSI { 1772 }                                                                   
     ( attr rmsd >= 2.925665 and attr rmsd <= 3.045665 )                        
     (( attr rmsd >= 7.268207 and attr rmsd <= 7.348207 )                       
     and bondedto ( attr rmsd >= 127.4060 and attr rmsd <= 129.0060 ))
      3.6 3.6 1.4                                                               
      peak 1772 ppm1 2.985665 ppm2 7.308207 volume 8090000 weight 1.0           
REMARK dnoe: 3.466105 position 7.305908 2.830949                                
ASSI { 1773 }                                                                   
     ( attr rmsd >= 2.770949 and attr rmsd <= 2.890949 )                        
     (( attr rmsd >= 7.265908 and attr rmsd <= 7.345908 )                       
     and bondedto ( attr rmsd >= 127.5648 and attr rmsd <= 129.1648 ))
      3.6 3.6 1.4                                                               
      peak 1773 ppm1 2.830949 ppm2 7.305908 volume 4380000 weight 1.0           
REMARK dnoe: 3.196495 position 6.694247 0.4974499                               
ASSI { 1777 }                                                                   
     ( attr rmsd >= 1.20886 and attr rmsd <= 1.32886 )                          
     (( attr rmsd >= 6.654247 and attr rmsd <= 6.734247 )                       
     and bondedto ( attr rmsd >= 127.5876 and attr rmsd <= 129.1876 ))
      3.6 3.6 1.4                                                               
      peak 1777 ppm1 1.26886 ppm2 6.694247 volume 5870000 weight 1.0            
REMARK dnoe: 3.359812 position 6.438726 6.595474                                
ASSI { 1778 }                                                                   
     ( attr rmsd >= 6.535474 and attr rmsd <= 6.655474 )                        
     (( attr rmsd >= 6.398726 and attr rmsd <= 6.478726 )                       
     and bondedto ( attr rmsd >= 128.5634 and attr rmsd <= 130.1634 ))
      3.6 3.6 1.4                                                               
      peak 1778 ppm1 6.595474 ppm2 6.438726 volume 5280000 weight 1.0           
REMARK dnoe: 2.955311 position 6.438726 6.745743                                
ASSI { 1779 }                                                                   
     ( attr rmsd >= 6.685743 and attr rmsd <= 6.805743 )                        
     (( attr rmsd >= 6.398726 and attr rmsd <= 6.478726 )                       
     and bondedto ( attr rmsd >= 128.5181 and attr rmsd <= 130.1181 ))
      3.0 3.0 0.5999999                                                         
      peak 1779 ppm1 6.745743 ppm2 6.438726 volume 11400000 weight 1.0          
REMARK dnoe: 3.238792 position 6.436663 6.871673                                
ASSI { 1780 }                                                                   
     ( attr rmsd >= 6.811673 and attr rmsd <= 6.931673 )                        
     (( attr rmsd >= 6.396663 and attr rmsd <= 6.476663 )                       
     and bondedto ( attr rmsd >= 128.5408 and attr rmsd <= 130.1409 ))
      3.6 3.6 1.4                                                               
      peak 1780 ppm1 6.871673 ppm2 6.436663 volume 6580000 weight 1.0           
REMARK dnoe: 3.152322 position 6.433966 3.25675                                 
ASSI { 1781 }                                                                   
     ( attr rmsd >= 3.19675 and attr rmsd <= 3.31675 )                          
     (( attr rmsd >= 6.393966 and attr rmsd <= 6.473966 )                       
     and bondedto ( attr rmsd >= 128.7224 and attr rmsd <= 130.3224 ))
      3.6 3.6 1.4                                                               
      peak 1781 ppm1 3.25675 ppm2 6.433966 volume 7740000 weight 1.0            
REMARK dnoe: 3.656084 position 6.85595 9.223646                                 
ASSI { 1782 }                                                                   
     ( attr rmsd >= 9.163646 and attr rmsd <= 9.283647 )                        
     (( attr rmsd >= 6.81595 and attr rmsd <= 6.89595 )                         
     and bondedto ( attr rmsd >= 130.2204 and attr rmsd <= 131.8204 ))
      4.2 4.2 1.8                                                               
      peak 1782 ppm1 9.223646 ppm2 6.85595 volume 3180000 weight 1.0            
REMARK dnoe: 3.949866 position 6.759365 9.239093                                
ASSI { 1783 }                                                                   
     ( attr rmsd >= 9.179092 and attr rmsd <= 9.299093 )                        
     (( attr rmsd >= 6.719365 and attr rmsd <= 6.799365 )                       
     and bondedto ( attr rmsd >= 130.3564 and attr rmsd <= 131.9564 ))
      4.2 4.2 1.8                                                               
      peak 1783 ppm1 9.239093 ppm2 6.759365 volume 2000000 weight 1.0           
REMARK dnoe: 2.301533 position 6.761991 6.878139                                
ASSI { 1784 }                                                                   
     ( attr rmsd >= 6.818139 and attr rmsd <= 6.938139 )                        
     (( attr rmsd >= 6.721991 and attr rmsd <= 6.801991 )                       
     and bondedto ( attr rmsd >= 130.1749 and attr rmsd <= 131.7749 ))
      2.5 2.5 0.2                                                               
      peak 1784 ppm1 6.878139 ppm2 6.761991 volume 51099996 weight 1.0          
REMARK dnoe: 2.652637 position 6.760584 6.44166                                 
ASSI { 1785 }                                                                   
     ( attr rmsd >= 6.38166 and attr rmsd <= 6.50166 )                          
     (( attr rmsd >= 6.720584 and attr rmsd <= 6.800584 )                       
     and bondedto ( attr rmsd >= 130.2884 and attr rmsd <= 131.8884 ))
      3.0 3.0 0.5999999                                                         
      peak 1785 ppm1 6.44166 ppm2 6.760584 volume 21800000 weight 1.0           
REMARK dnoe: 2.388545 position 6.855528 6.700888                                
ASSI { 1786 }                                                                   
     ( attr rmsd >= 6.640888 and attr rmsd <= 6.760888 )                        
     (( attr rmsd >= 6.815528 and attr rmsd <= 6.895528 )                       
     and bondedto ( attr rmsd >= 130.0613 and attr rmsd <= 131.6613 ))
      2.5 2.5 0.2                                                               
      peak 1786 ppm1 6.700888 ppm2 6.855528 volume 40900000 weight 1.0          
REMARK dnoe: 3.267558 position 6.764711 -0.1922631                              
ASSI { 1787 }                                                                   
     ( attr rmsd >= -0.2522631 and attr rmsd <= -0.1322631 )                    
     (( attr rmsd >= 6.724711 and attr rmsd <= 6.804711 )                       
     and bondedto ( attr rmsd >= 130.2350 and attr rmsd <= 131.8350 ))
      3.6 3.6 1.4                                                               
      peak 1787 ppm1 -0.1922631 ppm2 6.764711 volume 6240000 weight 1.0         
REMARK dnoe: 3.148267 position 6.76246 0.4062572                                
ASSI { 1788 }                                                                   
     ( attr rmsd >= 0.3462572 and attr rmsd <= 0.4662572 )                      
     (( attr rmsd >= 6.72246 and attr rmsd <= 6.80246 )                         
     and bondedto ( attr rmsd >= 130.2330 and attr rmsd <= 131.8331 ))
      3.6 3.6 1.4                                                               
      peak 1788 ppm1 0.4062572 ppm2 6.76246 volume 0.78e+07 weight 1.0          
REMARK dnoe: 3.15029 position 6.859327 0.513669                                 
ASSI { 1794 }                                                                   
     ( attr rmsd >= 6.683359 and attr rmsd <= 6.803359 )                        
     (( attr rmsd >= 7.007245 and attr rmsd <= 7.087245 )                       
     and bondedto ( attr rmsd >= 132.6034 and attr rmsd <= 134.2034 ))
      2.5 2.5 0.2                                                               
      peak 1794 ppm1 6.743359 ppm2 7.047245 volume 87600000 weight 1.0          
REMARK dnoe: 2.152311 position 6.733594 6.568428                                
ASSI { 1795 }                                                                   
     ( attr rmsd >= 6.508428 and attr rmsd <= 6.628428 )                        
     (( attr rmsd >= 6.693594 and attr rmsd <= 6.773594 )                       
     and bondedto ( attr rmsd >= 132.2378 and attr rmsd <= 133.8378 ))
      2.5 2.5 0.2                                                               
      peak 1795 ppm1 6.568428 ppm2 6.733594 volume 76400000 weight 1.0          
REMARK dnoe: 2.533808 position 6.574401 6.8828                                  
ASSI { 1796 }                                                                   
     ( attr rmsd >= 6.8228 and attr rmsd <= 6.9428 )                            
     (( attr rmsd >= 6.534401 and attr rmsd <= 6.614401 )                       
     and bondedto ( attr rmsd >= 132.4901 and attr rmsd <= 134.0901 ))
      3.0 3.0 0.5999999                                                         
      peak 1796 ppm1 6.8828 ppm2 6.574401 volume 28700000 weight 1.0            
REMARK dnoe: 2.951012 position 7.049004 4.483651                                
ASSI { 1797 }                                                                   
     ( attr rmsd >= 4.423651 and attr rmsd <= 4.543651 )                        
     (( attr rmsd >= 7.009004 and attr rmsd <= 7.089004 )                       
     and bondedto ( attr rmsd >= 132.6489 and attr rmsd <= 134.2489 ))
      3.0 3.0 0.5999999                                                         
      peak 1797 ppm1 4.483651 ppm2 7.049004 volume 11500000 weight 1.0          
REMARK dnoe: 3.279043 position 6.733078 4.357635                                
ASSI { 1798 }                                                                   
     ( attr rmsd >= 4.297635 and attr rmsd <= 4.417635 )                        
     (( attr rmsd >= 6.693078 and attr rmsd <= 6.773078 )                       
     and bondedto ( attr rmsd >= 132.2402 and attr rmsd <= 133.8403 ))
      3.6 3.6 1.4                                                               
      peak 1798 ppm1 4.357635 ppm2 6.733078 volume 6110000 weight 1.0           
REMARK dnoe: 3.754849 position 6.569125 4.990721                                
ASSI { 1799 }                                                                   
     ( attr rmsd >= 4.930721 and attr rmsd <= 5.050721 )                        
     (( attr rmsd >= 6.529125 and attr rmsd <= 6.609125 )                       
     and bondedto ( attr rmsd >= 132.4301 and attr rmsd <= 134.0301 ))
      4.2 4.2 1.8                                                               
      peak 1799 ppm1 4.990721 ppm2 6.569125 volume 2710000 weight 1.0           
REMARK dnoe: 2.764899 position 7.047057 3.199457                                
ASSI { 1800 }                                                                   
     ( attr rmsd >= 3.139457 and attr rmsd <= 3.259457 )                        
     (( attr rmsd >= 7.007057 and attr rmsd <= 7.087057 )                       
     and bondedto ( attr rmsd >= 132.6489 and attr rmsd <= 134.2489 ))
      3.0 3.0 0.5999999                                                         
      peak 1800 ppm1 3.199457 ppm2 7.047057 volume 17000000 weight 1.0          
REMARK dnoe: 2.743789 position 7.046682 2.969532                                
ASSI { 1801 }                                                                   
     ( attr rmsd >= 2.909532 and attr rmsd <= 3.029532 )                        
     (( attr rmsd >= 7.006682 and attr rmsd <= 7.086682 )                       
     and bondedto ( attr rmsd >= 132.6034 and attr rmsd <= 134.2034 ))
      3.0 3.0 0.5999999                                                         
      peak 1801 ppm1 2.969532 ppm2 7.046682 volume 17800000 weight 1.0          
REMARK dnoe: 2.351687 position 6.925828 3.292325                                
ASSI { 1803 }                                                                   
     ( attr rmsd >= 3.073571 and attr rmsd <= 3.193571 )                        
     (( attr rmsd >= 6.887961 and attr rmsd <= 6.967961 )                       
     and bondedto ( attr rmsd >= 132.4426 and attr rmsd <= 134.0426 ))
      2.5 2.5 0.2                                                               
      peak 1803 ppm1 3.133571 ppm2 6.927961 volume 37800000 weight 1.0          
REMARK dnoe: 2.883976 position 6.857052 3.734497                                
ASSI { 1806 }                                                                   
     ( attr rmsd >= 3.932307 and attr rmsd <= 4.052307 )                        
     (( attr rmsd >= 6.537707 and attr rmsd <= 6.617707 )                       
     and bondedto ( attr rmsd >= 132.4450 and attr rmsd <= 134.0450 ))
      3.6 3.6 1.4                                                               
      peak 1806 ppm1 3.992307 ppm2 6.577707 volume 8590000 weight 1.0           
REMARK dnoe: 2.991367 position 6.734579 2.845728                                
ASSI { 1807 }                                                                   
     ( attr rmsd >= 2.785728 and attr rmsd <= 2.905728 )                        
     (( attr rmsd >= 6.694579 and attr rmsd <= 6.774579 )                       
     and bondedto ( attr rmsd >= 132.3538 and attr rmsd <= 133.9538 ))
      3.0 3.0 0.5999999                                                         
      peak 1807 ppm1 2.845728 ppm2 6.734579 volume 10600000 weight 1.0          
REMARK dnoe: 2.880351 position 6.734579 2.492                                   
ASSI { 1808 }                                                                   
     ( attr rmsd >= 2.432 and attr rmsd <= 2.552 )                              
     (( attr rmsd >= 6.694579 and attr rmsd <= 6.774579 )                       
     and bondedto ( attr rmsd >= 132.3083 and attr rmsd <= 133.9083 ))
      3.0 3.0 0.5999999                                                         
      peak 1808 ppm1 2.492 ppm2 6.734579 volume 13300000 weight 1.0             
REMARK dnoe: 2.456073 position 6.854918 2.651184                                
ASSI { 1809 }                                                                   
     ( attr rmsd >= 2.591184 and attr rmsd <= 2.711184 )                        
     (( attr rmsd >= 6.814918 and attr rmsd <= 6.894918 )                       
     and bondedto ( attr rmsd >= 132.8757 and attr rmsd <= 134.4757 ))
      2.5 2.5 0.2                                                               
      peak 1809 ppm1 2.651184 ppm2 6.854918 volume 34600000 weight 1.0          
REMARK dnoe: 3.07578 position 6.57419 2.057971                                  
ASSI { 1810 }                                                                   
     ( attr rmsd >= 1.997971 and attr rmsd <= 2.117971 )                        
     (( attr rmsd >= 6.53419 and attr rmsd <= 6.61419 )                         
     and bondedto ( attr rmsd >= 132.4463 and attr rmsd <= 134.0463 ))
      3.6 3.6 1.4                                                               
      peak 1810 ppm1 2.057971 ppm2 6.57419 volume 8970000 weight 1.0            
REMARK dnoe: 2.930154 position 6.924655 1.263296                                
ASSI { 1812 }                                                                   
     ( attr rmsd >= 0.5150866 and attr rmsd <= 0.6350866 )                      
     (( attr rmsd >= 6.69601 and attr rmsd <= 6.77601 )                         
     and bondedto ( attr rmsd >= 132.4034 and attr rmsd <= 134.0034 ))
      3.0 3.0 0.5999999                                                         
      peak 1812 ppm1 0.5750866 ppm2 6.73601 volume 15000001 weight 1.0          
REMARK dnoe: 2.673479 position 6.923131 0.4901023                               
ASSI { 1814 }                                                                   
     ( attr rmsd >= 8.528714 and attr rmsd <= 8.648715 )                        
     (( attr rmsd >= 6.81595 and attr rmsd <= 6.89595 )                         
     and bondedto ( attr rmsd >= 132.8838 and attr rmsd <= 134.4838 ))
      3.0 3.0 0.5999999                                                         
      peak 1814 ppm1 8.588715 ppm2 6.85595 volume 12800001 weight 1.0           
REMARK dnoe: 3.039599 position 6.856466 5.49416                                 
ASSI { 1815 }                                                                   
     ( attr rmsd >= 5.43416 and attr rmsd <= 5.55416 )                          
     (( attr rmsd >= 6.816466 and attr rmsd <= 6.896466 )                       
     and bondedto ( attr rmsd >= 132.8597 and attr rmsd <= 134.4597 ))
      3.6 3.6 1.4                                                               
      peak 1815 ppm1 5.49416 ppm2 6.856466 volume 9630000 weight 1.0            
REMARK dnoe: 2.025452 position 6.855528 6.677365                                
ASSI { 1816 }                                                                   
     ( attr rmsd >= 6.617365 and attr rmsd <= 6.737365 )                        
     (( attr rmsd >= 6.815528 and attr rmsd <= 6.895528 )                       
     and bondedto ( attr rmsd >= 132.8683 and attr rmsd <= 134.4682 ))
      2.5 2.5 0.2                                                               
      peak 1816 ppm1 6.677365 ppm2 6.855528 volume 110000000 weight 1.0         
REMARK dnoe: 2.829504 position 6.858412 1.676143                                
ASSI { 1817 }                                                                   
     ( attr rmsd >= 1.616143 and attr rmsd <= 1.736143 )                        
     (( attr rmsd >= 6.818412 and attr rmsd <= 6.898412 )                       
     and bondedto ( attr rmsd >= 132.8984 and attr rmsd <= 134.4984 ))
      3.0 3.0 0.5999999                                                         
      peak 1817 ppm1 1.676143 ppm2 6.858412 volume 14800000 weight 1.0          
REMARK dnoe: 3.0375 position 6.858412 1.437582                                  
ASSI { 1818 }                                                                   
     ( attr rmsd >= 1.377582 and attr rmsd <= 1.497582 )                        
     (( attr rmsd >= 6.818412 and attr rmsd <= 6.898412 )                       
     and bondedto ( attr rmsd >= 132.8757 and attr rmsd <= 134.4757 ))
      3.6 3.6 1.4                                                               
      peak 1818 ppm1 1.437582 ppm2 6.858412 volume 9670000 weight 1.0           
REMARK dnoe: 2.559725 position 6.858412 0.6437445                               
ASSI { 1820 }                                                                   
     ( attr rmsd >= 0.2643446 and attr rmsd <= 0.3843446 )                      
     (( attr rmsd >= 6.811776 and attr rmsd <= 6.891776 )                       
     and bondedto ( attr rmsd >= 132.9212 and attr rmsd <= 134.5212 ))
      3.6 3.6 1.4                                                               
      peak 1820 ppm1 0.3243446 ppm2 6.851776 volume 6470000 weight 1.0          
REMARK dnoe: 3.055674 position 4.533794 1.584951                                
ASSI { 1821 }                                                                   
     ( attr rmsd >= 1.524951 and attr rmsd <= 1.644951 )                        
     (( attr rmsd >= 4.493794 and attr rmsd <= 4.573794 )                       
     and bondedto ( attr rmsd >= 52.86345 and attr rmsd <= 54.46345 ))
      3.6 3.6 1.4                                                               
      peak 1821 ppm1 1.584951 ppm2 4.533794 volume 9330000 weight 1.0           
REMARK dnoe: 4.172153 position 1.147558 2.193417                                
ASSI { 1822 }                                                                   
     ( attr rmsd >= 2.133417 and attr rmsd <= 2.253417 )                        
     (( attr rmsd >= 1.107558 and attr rmsd <= 1.187558 )                       
     and bondedto ( attr rmsd >= 22.60356 and attr rmsd <= 24.20356 ))
      4.2 4.2 1.8                                                               
      peak 1822 ppm1 2.193417 ppm2 1.147558 volume 1440000 weight 1.0           
REMARK dnoe: 2.721325 position 3.971681 1.921043                                
ASSI { 1823 }                                                                   
     ( attr rmsd >= 1.861043 and attr rmsd <= 1.981043 )                        
     (( attr rmsd >= 3.931681 and attr rmsd <= 4.011681 )                       
     and bondedto ( attr rmsd >= 62.90357 and attr rmsd <= 64.50357 ))
      3.0 3.0 0.5999999                                                         
      peak 1823 ppm1 1.921043 ppm2 3.971681 volume 18700000 weight 1.0          
REMARK dnoe: 2.704708 position 3.974073 1.572878                                
ASSI { 1824 }                                                                   
     ( attr rmsd >= 1.512878 and attr rmsd <= 1.632878 )                        
     (( attr rmsd >= 3.934073 and attr rmsd <= 4.014073 )                       
     and bondedto ( attr rmsd >= 62.82941 and attr rmsd <= 64.42941 ))
      3.0 3.0 0.5999999                                                         
      peak 1824 ppm1 1.572878 ppm2 3.974073 volume 19400000 weight 1.0          
REMARK dnoe: 2.866161 position 3.976441 1.22959                                 
ASSI { 1825 }                                                                   
     ( attr rmsd >= 1.16959 and attr rmsd <= 1.28959 )                          
     (( attr rmsd >= 3.936441 and attr rmsd <= 4.016441 )                       
     and bondedto ( attr rmsd >= 63.12581 and attr rmsd <= 64.72581 ))
      3.0 3.0 0.5999999                                                         
      peak 1825 ppm1 1.22959 ppm2 3.976441 volume 13699999 weight 1.0           
REMARK dnoe: 2.982062 position 3.971681 0.795023                                
ASSI { 1826 }                                                                   
     ( attr rmsd >= 0.735023 and attr rmsd <= 0.855023 )                        
     (( attr rmsd >= 3.931681 and attr rmsd <= 4.011681 )                       
     and bondedto ( attr rmsd >= 62.90314 and attr rmsd <= 64.50314 ))
      3.0 3.0 0.5999999                                                         
      peak 1826 ppm1 0.795023 ppm2 3.971681 volume 10800000 weight 1.0          
REMARK dnoe: 3.134358 position 3.974073 0.1007781                               
ASSI { 1827 }                                                                   
     ( attr rmsd >= 0.0407781 and attr rmsd <= 0.1607781 )                      
     (( attr rmsd >= 3.934073 and attr rmsd <= 4.014073 )                       
     and bondedto ( attr rmsd >= 62.87186 and attr rmsd <= 64.47186 ))
      3.6 3.6 1.4                                                               
      peak 1827 ppm1 0.1007781 ppm2 3.974073 volume 8010000 weight 1.0          
REMARK dnoe: 3.637266 position 4.043622 9.473722                                
ASSI { 1828 }                                                                   
     ( attr rmsd >= 9.413722 and attr rmsd <= 9.533723 )                        
     (( attr rmsd >= 4.003622 and attr rmsd <= 4.083622 )                       
     and bondedto ( attr rmsd >= 61.17134 and attr rmsd <= 62.77134 ))
      4.2 4.2 1.8                                                               
      peak 1828 ppm1 9.473722 ppm2 4.043622 volume 3280000 weight 1.0           REMARK chemical shifts generated by Felix2000.0 from ana_0225.dba database
 do ( store1 = 55.580 )  ( resid 1 and name CA )
 do ( store1 = 34.500 )  ( resid 1 and name CB )
 do ( store1 = 31.400 )  ( resid 1 and name CG )
 do ( store1 = 16.870 )  ( resid 1 and name CE )
 do ( store1 = 3.812 )  ( resid 1 and name HA )
 do ( store1 = 1.965 )  ( resid 1 and name HB* )
 do ( store1 = 2.504 )  ( resid 1 and name HG* )
 do ( store1 = 2.014 )  ( resid 1 and name HE* )
 do ( store1 = 56.400 )  ( resid 2 and name CA )
 do ( store1 = 30.800 )  ( resid 2 and name CB )
 do ( store1 = 176.620 )  ( resid 2 and name C )
 do ( store1 = 27.120 )  ( resid 2 and name CG )
 do ( store1 = 43.350 )  ( resid 2 and name CD )
 do ( store1 = 4.300 )  ( resid 2 and name HA )
 do ( store1 = 1.770 )  ( resid 2 and name HB* )
 do ( store1 = 1.591 )  ( resid 2 and name HG* )
 do ( store1 = 3.147 )  ( resid 2 and name HD* )
 do ( store1 = 111.030 )  ( resid 3 and name N )
 do ( store1 = 8.480 )  ( resid 3 and name HN )
 do ( store1 = 45.330 )  ( resid 3 and name CA )
 do ( store1 = 3.917 )  ( resid 3 and name HA* )
 do ( store1 = 58.300 )  ( resid 4 and name CA )
 do ( store1 = 63.900 )  ( resid 4 and name CB )
 do ( store1 = 4.352 )  ( resid 4 and name HA )
 do ( store1 = 3.757 )  ( resid 4 and name HB* )
 do ( store1 = 53.010 )  ( resid 5 and name CA )
 do ( store1 = 38.930 )  ( resid 5 and name CB )
 do ( store1 = 174.440 )  ( resid 5 and name C )
 do ( store1 = 4.669 )  ( resid 5 and name HA )
 do ( store1 = 2.707 )  ( resid 5 and name HB* )
 do ( store1 = 113.000 )  ( resid 5 and name ND2 )
 do ( store1 = 6.825 )  ( resid 5 and name HD21 )
 do ( store1 = 7.500 )  ( resid 5 and name HD22 )
 do ( store1 = 125.240 )  ( resid 6 and name N )
 do ( store1 = 8.043 )  ( resid 6 and name HN )
 do ( store1 = 50.600 )  ( resid 6 and name CA )
 do ( store1 = 18.230 )  ( resid 6 and name CB )
 do ( store1 = 4.496 )  ( resid 6 and name HA )
 do ( store1 = 1.261 )  ( resid 6 and name HB* )
 do ( store1 = 63.030 )  ( resid 7 and name CA )
 do ( store1 = 31.970 )  ( resid 7 and name CB )
 do ( store1 = 176.730 )  ( resid 7 and name C )
 do ( store1 = 27.400 )  ( resid 7 and name CG )
 do ( store1 = 50.370 )  ( resid 7 and name CD )
 do ( store1 = 4.352 )  ( resid 7 and name HA )
 do ( store1 = 2.178 )  ( resid 7 and name HB2 )
 do ( store1 = 1.916 )  ( resid 7 and name HG* )
 do ( store1 = 1.786 )  ( resid 7 and name HB1 )
 do ( store1 = 3.550 )  ( resid 7 and name HD1 )
 do ( store1 = 3.710 )  ( resid 7 and name HD2 )
 do ( store1 = 121.600 )  ( resid 8 and name N )
 do ( store1 = 8.365 )  ( resid 8 and name HN )
 do ( store1 = 53.560 )  ( resid 8 and name CA )
 do ( store1 = 29.160 )  ( resid 8 and name CB )
 do ( store1 = 4.516 )  ( resid 8 and name HA )
 do ( store1 = 2.328 )  ( resid 8 and name HG* )
 do ( store1 = 2.008 )  ( resid 8 and name HB2 )
 do ( store1 = 1.799 )  ( resid 8 and name HB1 )
 do ( store1 = 33.560 )  ( resid 8 and name CG )
 do ( store1 = 112.800 )  ( resid 8 and name NE2 )
 do ( store1 = 7.447 )  ( resid 8 and name HE22 )
 do ( store1 = 6.777 )  ( resid 8 and name HE21 )
 do ( store1 = 63.410 )  ( resid 9 and name CA )
 do ( store1 = 32.190 )  ( resid 9 and name CB )
 do ( store1 = 176.810 )  ( resid 9 and name C )
 do ( store1 = 27.420 )  ( resid 9 and name CG )
 do ( store1 = 50.610 )  ( resid 9 and name CD )
 do ( store1 = 4.352 )  ( resid 9 and name HA )
 do ( store1 = 2.203 )  ( resid 9 and name HB2 )
 do ( store1 = 1.929 )  ( resid 9 and name HG* )
 do ( store1 = 1.766 )  ( resid 9 and name HB1 )
 do ( store1 = 3.589 )  ( resid 9 and name HD1 )
 do ( store1 = 3.688 )  ( resid 9 and name HD2 )
 do ( store1 = 115.530 )  ( resid 10 and name N )
 do ( store1 = 8.269 )  ( resid 10 and name HN )
 do ( store1 = 58.060 )  ( resid 10 and name CA )
 do ( store1 = 64.050 )  ( resid 10 and name CB )
 do ( store1 = 4.357 )  ( resid 10 and name HA )
 do ( store1 = 3.773 )  ( resid 10 and name HB* )
 do ( store1 = 56.510 )  ( resid 11 and name CA )
 do ( store1 = 30.900 )  ( resid 11 and name CB )
 do ( store1 = 174.830 )  ( resid 11 and name C )
 do ( store1 = 4.535 )  ( resid 11 and name HA )
 do ( store1 = 3.006 )  ( resid 11 and name HB* )
 do ( store1 = 122.760 )  ( resid 12 and name N )
 do ( store1 = 7.936 )  ( resid 12 and name HN )
 do ( store1 = 60.450 )  ( resid 12 and name CA )
 do ( store1 = 38.260 )  ( resid 12 and name CB )
 do ( store1 = 175.910 )  ( resid 12 and name C )
 do ( store1 = 27.350 )  ( resid 12 and name CG1 )
 do ( store1 = 17.300 )  ( resid 12 and name CG2 )
 do ( store1 = 12.270 )  ( resid 12 and name CD1 )
 do ( store1 = 3.983 )  ( resid 12 and name HA )
 do ( store1 = 1.619 )  ( resid 12 and name HB )
 do ( store1 = 1.266 )  ( resid 12 and name HG12 )
 do ( store1 = 0.951 )  ( resid 12 and name HG11 )
 do ( store1 = 0.660 )  ( resid 12 and name HD1* )
 do ( store1 = 0.314 )  ( resid 12 and name HG2* )
 do ( store1 = 121.790 )  ( resid 13 and name N )
 do ( store1 = 8.529 )  ( resid 13 and name HN )
 do ( store1 = 59.250 )  ( resid 13 and name CA )
 do ( store1 = 64.030 )  ( resid 13 and name CB )
 do ( store1 = 174.310 )  ( resid 13 and name C )
 do ( store1 = 4.325 )  ( resid 13 and name HA )
 do ( store1 = 3.593 )  ( resid 13 and name HB* )
 do ( store1 = 119.690 )  ( resid 14 and name N )
 do ( store1 = 7.687 )  ( resid 14 and name HN )
 do ( store1 = 55.400 )  ( resid 14 and name CA )
 do ( store1 = 35.000 )  ( resid 14 and name CB )
 do ( store1 = 172.660 )  ( resid 14 and name C )
 do ( store1 = 29.620 )  ( resid 14 and name CD )
 do ( store1 = 23.800 )  ( resid 14 and name CG )
 do ( store1 = 4.433 )  ( resid 14 and name HA )
 do ( store1 = 1.700 )  ( resid 14 and name HB2 )
 do ( store1 = 1.521 )  ( resid 14 and name HB1 )
 do ( store1 = 1.073 )  ( resid 14 and name HG* )
 do ( store1 = 2.749 )  ( resid 14 and name HE* )
 do ( store1 = 1.473 )  ( resid 14 and name HD* )
 do ( store1 = 42.110 )  ( resid 14 and name CE )
 do ( store1 = 118.190 )  ( resid 15 and name N )
 do ( store1 = 8.594 )  ( resid 15 and name HN )
 do ( store1 = 56.000 )  ( resid 15 and name CA )
 do ( store1 = 41.830 )  ( resid 15 and name CB )
 do ( store1 = 175.420 )  ( resid 15 and name C )
 do ( store1 = 5.498 )  ( resid 15 and name HA )
 do ( store1 = 2.635 )  ( resid 15 and name HB* )
 do ( store1 = 6.661 )  ( resid 15 and name HE* )
 do ( store1 = 6.841 )  ( resid 15 and name HD* )
 do ( store1 = 133.350 )  ( resid 15 and name CD* )
 do ( store1 = 118.040 )  ( resid 15 and name CE* )
 do ( store1 = 121.590 )  ( resid 16 and name N )
 do ( store1 = 9.197 )  ( resid 16 and name HN )
 do ( store1 = 60.500 )  ( resid 16 and name CA )
 do ( store1 = 40.820 )  ( resid 16 and name CB )
 do ( store1 = 174.340 )  ( resid 16 and name C )
 do ( store1 = 27.530 )  ( resid 16 and name CG1 )
 do ( store1 = 17.340 )  ( resid 16 and name CG2 )
 do ( store1 = 13.720 )  ( resid 16 and name CD1 )
 do ( store1 = 4.744 )  ( resid 16 and name HA )
 do ( store1 = 1.624 )  ( resid 16 and name HB )
 do ( store1 = 0.694 )  ( resid 16 and name HG2* )
 do ( store1 = 1.030 )  ( resid 16 and name HG11 )
 do ( store1 = 1.367 )  ( resid 16 and name HG12 )
 do ( store1 = 0.669 )  ( resid 16 and name HD1* )
 do ( store1 = 129.230 )  ( resid 17 and name N )
 do ( store1 = 9.101 )  ( resid 17 and name HN )
 do ( store1 = 53.040 )  ( resid 17 and name CA )
 do ( store1 = 45.650 )  ( resid 17 and name CB )
 do ( store1 = 175.130 )  ( resid 17 and name C )
 do ( store1 = 27.100 )  ( resid 17 and name CD2 )
 do ( store1 = 23.430 )  ( resid 17 and name CD1 )
 do ( store1 = 5.433 )  ( resid 17 and name HA )
 do ( store1 = 1.844 )  ( resid 17 and name HB2 )
 do ( store1 = 1.082 )  ( resid 17 and name HB1 )
 do ( store1 = 0.538 )  ( resid 17 and name HD2* )
 do ( store1 = 0.936 )  ( resid 17 and name HD1* )
 do ( store1 = 1.770 )  ( resid 17 and name HG )
 do ( store1 = 27.800 )  ( resid 17 and name CG )
 do ( store1 = 124.630 )  ( resid 18 and name N )
 do ( store1 = 9.315 )  ( resid 18 and name HN )
 do ( store1 = 53.970 )  ( resid 18 and name CA )
 do ( store1 = 33.660 )  ( resid 18 and name CB )
 do ( store1 = 176.140 )  ( resid 18 and name C )
 do ( store1 = 28.070 )  ( resid 18 and name CG )
 do ( store1 = 42.850 )  ( resid 18 and name CD )
 do ( store1 = 6.130 )  ( resid 18 and name HA )
 do ( store1 = 2.641 )  ( resid 18 and name HD2 )
 do ( store1 = 1.735 )  ( resid 18 and name HB2 )
 do ( store1 = 1.399 )  ( resid 18 and name HG* )
 do ( store1 = 2.484 )  ( resid 18 and name HD1 )
 do ( store1 = 1.310 )  ( resid 18 and name HB1 )
 do ( store1 = 7.141 )  ( resid 18 and name HE )
 do ( store1 = 108.960 )  ( resid 18 and name NE )
 do ( store1 = 120.880 )  ( resid 19 and name N )
 do ( store1 = 9.073 )  ( resid 19 and name HN )
 do ( store1 = 57.660 )  ( resid 19 and name CA )
 do ( store1 = 34.060 )  ( resid 19 and name CB )
 do ( store1 = 174.310 )  ( resid 19 and name C )
 do ( store1 = 3.607 )  ( resid 19 and name HB2 )
 do ( store1 = 3.255 )  ( resid 19 and name HB1 )
 do ( store1 = 6.586 )  ( resid 19 and name HA )
 do ( store1 = 115.800 )  ( resid 20 and name N )
 do ( store1 = 8.764 )  ( resid 20 and name HN )
 do ( store1 = 54.580 )  ( resid 20 and name CA )
 do ( store1 = 30.380 )  ( resid 20 and name CB )
 do ( store1 = 4.975 )  ( resid 20 and name HA )
 do ( store1 = 1.402 )  ( resid 20 and name HB2 )
 do ( store1 = 1.229 )  ( resid 20 and name HB1 )
 do ( store1 = 0.763 )  ( resid 20 and name HG2 )
 do ( store1 = 0.261 )  ( resid 20 and name HG1 )
 do ( store1 = 23.400 )  ( resid 20 and name CG )
 do ( store1 = 42.900 )  ( resid 20 and name CD )
 do ( store1 = 1.905 )  ( resid 20 and name HD2 )
 do ( store1 = 0.765 )  ( resid 20 and name HD1 )
 do ( store1 = 6.491 )  ( resid 20 and name HE )
 do ( store1 = 112.260 )  ( resid 20 and name NE )
 do ( store1 = 63.880 )  ( resid 21 and name CA )
 do ( store1 = 31.270 )  ( resid 21 and name CB )
 do ( store1 = 176.370 )  ( resid 21 and name C )
 do ( store1 = 28.500 )  ( resid 21 and name CG )
 do ( store1 = 50.620 )  ( resid 21 and name CD )
 do ( store1 = 3.980 )  ( resid 21 and name HA )
 do ( store1 = 1.930 )  ( resid 21 and name HB2 )
 do ( store1 = 1.560 )  ( resid 21 and name HB1 )
 do ( store1 = 2.130 )  ( resid 21 and name HG2 )
 do ( store1 = 1.832 )  ( resid 21 and name HG1 )
 do ( store1 = 3.408 )  ( resid 21 and name HD1 )
 do ( store1 = 3.960 )  ( resid 21 and name HD2 )
 do ( store1 = 126.550 )  ( resid 22 and name N )
 do ( store1 = 8.930 )  ( resid 22 and name HN )
 do ( store1 = 58.090 )  ( resid 22 and name CA )
 do ( store1 = 32.950 )  ( resid 22 and name CB )
 do ( store1 = 177.040 )  ( resid 22 and name C )
 do ( store1 = 29.570 )  ( resid 22 and name CD )
 do ( store1 = 25.040 )  ( resid 22 and name CG )
 do ( store1 = 42.080 )  ( resid 22 and name CE )
 do ( store1 = 3.825 )  ( resid 22 and name HA )
 do ( store1 = 1.503 )  ( resid 22 and name HB2 )
 do ( store1 = 1.214 )  ( resid 22 and name HB1 )
 do ( store1 = 2.846 )  ( resid 22 and name HE* )
 do ( store1 = 1.455 )  ( resid 22 and name HD* )
 do ( store1 = 1.219 )  ( resid 22 and name HG* )
 do ( store1 = 1.278 )  ( resid 22 and name HG2 )
 do ( store1 = 1.181 )  ( resid 22 and name HG1 )
 do ( store1 = 118.490 )  ( resid 23 and name N )
 do ( store1 = 8.731 )  ( resid 23 and name HN )
 do ( store1 = 54.640 )  ( resid 23 and name CA )
 do ( store1 = 37.170 )  ( resid 23 and name CB )
 do ( store1 = 174.340 )  ( resid 23 and name C )
 do ( store1 = 4.361 )  ( resid 23 and name HA )
 do ( store1 = 2.900 )  ( resid 23 and name HB* )
 do ( store1 = 113.000 )  ( resid 23 and name ND2 )
 do ( store1 = 6.825 )  ( resid 23 and name HD21 )
 do ( store1 = 7.500 )  ( resid 23 and name HD22 )
 do ( store1 = 113.720 )  ( resid 24 and name N )
 do ( store1 = 7.588 )  ( resid 24 and name HN )
 do ( store1 = 57.790 )  ( resid 24 and name CA )
 do ( store1 = 65.030 )  ( resid 24 and name CB )
 do ( store1 = 174.340 )  ( resid 24 and name C )
 do ( store1 = 4.403 )  ( resid 24 and name HA )
 do ( store1 = 3.781 )  ( resid 24 and name HB2 )
 do ( store1 = 3.520 )  ( resid 24 and name HB1 )
 do ( store1 = 114.970 )  ( resid 25 and name N )
 do ( store1 = 8.013 )  ( resid 25 and name HN )
 do ( store1 = 60.960 )  ( resid 25 and name CA )
 do ( store1 = 31.380 )  ( resid 25 and name CB )
 do ( store1 = 176.860 )  ( resid 25 and name C )
 do ( store1 = 21.300 )  ( resid 25 and name CG2 )
 do ( store1 = 18.680 )  ( resid 25 and name CG1 )
 do ( store1 = 4.318 )  ( resid 25 and name HA )
 do ( store1 = 2.258 )  ( resid 25 and name HB )
 do ( store1 = 0.782 )  ( resid 25 and name HG2* )
 do ( store1 = 0.713 )  ( resid 25 and name HG1* )
 do ( store1 = 110.520 )  ( resid 26 and name N )
 do ( store1 = 7.862 )  ( resid 26 and name HN )
 do ( store1 = 44.350 )  ( resid 26 and name CA )
 do ( store1 = 173.050 )  ( resid 26 and name C )
 do ( store1 = 4.040 )  ( resid 26 and name HA2 )
 do ( store1 = 3.682 )  ( resid 26 and name HA1 )
 do ( store1 = 118.630 )  ( resid 27 and name N )
 do ( store1 = 8.069 )  ( resid 27 and name HN )
 do ( store1 = 56.170 )  ( resid 27 and name CA )
 do ( store1 = 31.040 )  ( resid 27 and name CB )
 do ( store1 = 176.860 )  ( resid 27 and name C )
 do ( store1 = 27.240 )  ( resid 27 and name CG )
 do ( store1 = 43.370 )  ( resid 27 and name CD )
 do ( store1 = 4.146 )  ( resid 27 and name HA )
 do ( store1 = 1.745 )  ( resid 27 and name HB2 )
 do ( store1 = 1.635 )  ( resid 27 and name HB1 )
 do ( store1 = 3.145 )  ( resid 27 and name HD* )
 do ( store1 = 1.617 )  ( resid 27 and name HG* )
 do ( store1 = 122.030 )  ( resid 28 and name N )
 do ( store1 = 8.266 )  ( resid 28 and name HN )
 do ( store1 = 57.540 )  ( resid 28 and name CA )
 do ( store1 = 29.400 )  ( resid 28 and name CB )
 do ( store1 = 177.590 )  ( resid 28 and name CD1 )
 do ( store1 = 4.090 )  ( resid 28 and name HA )
 do ( store1 = 2.971 )  ( resid 28 and name HB2 )
 do ( store1 = 2.811 )  ( resid 28 and name HB1 )
 do ( store1 = 124.750 )  ( resid 29 and name N )
 do ( store1 = 8.411 )  ( resid 29 and name HN )
 do ( store1 = 55.820 )  ( resid 29 and name CA )
 do ( store1 = 32.460 )  ( resid 29 and name CB )
 do ( store1 = 174.880 )  ( resid 29 and name C )
 do ( store1 = 28.900 )  ( resid 29 and name CD )
 do ( store1 = 25.690 )  ( resid 29 and name CG )
 do ( store1 = 4.123 )  ( resid 29 and name HA )
 do ( store1 = 1.502 )  ( resid 29 and name HD* )
 do ( store1 = 1.115 )  ( resid 29 and name HG* )
 do ( store1 = -0.063 )  ( resid 29 and name HB1 )
 do ( store1 = 0.598 )  ( resid 29 and name HB2 )
 do ( store1 = 2.947 )  ( resid 29 and name HE* )
 do ( store1 = 42.650 )  ( resid 29 and name CE )
 do ( store1 = 117.190 )  ( resid 30 and name N )
 do ( store1 = 7.803 )  ( resid 30 and name HN )
 do ( store1 = 54.690 )  ( resid 30 and name CA )
 do ( store1 = 34.650 )  ( resid 30 and name CB )
 do ( store1 = 175.620 )  ( resid 30 and name C )
 do ( store1 = 37.220 )  ( resid 30 and name CG )
 do ( store1 = 5.634 )  ( resid 30 and name HA )
 do ( store1 = 1.952 )  ( resid 30 and name HG* )
 do ( store1 = 1.756 )  ( resid 30 and name HB* )
 do ( store1 = 126.370 )  ( resid 31 and name N )
 do ( store1 = 9.404 )  ( resid 31 and name HN )
 do ( store1 = 51.620 )  ( resid 31 and name CA )
 do ( store1 = 22.320 )  ( resid 31 and name CB )
 do ( store1 = 175.620 )  ( resid 31 and name C )
 do ( store1 = 4.783 )  ( resid 31 and name HA )
 do ( store1 = 1.505 )  ( resid 31 and name HB* )
 do ( store1 = 117.690 )  ( resid 32 and name N )
 do ( store1 = 8.488 )  ( resid 32 and name HN )
 do ( store1 = 62.370 )  ( resid 32 and name CA )
 do ( store1 = 69.440 )  ( resid 32 and name CB )
 do ( store1 = 174.100 )  ( resid 32 and name C )
 do ( store1 = 21.560 )  ( resid 32 and name CG2 )
 do ( store1 = 4.796 )  ( resid 32 and name HA )
 do ( store1 = 3.963 )  ( resid 32 and name HB )
 do ( store1 = 1.052 )  ( resid 32 and name HG2* )
 do ( store1 = 128.300 )  ( resid 33 and name N )
 do ( store1 = 8.992 )  ( resid 33 and name HN )
 do ( store1 = 57.950 )  ( resid 33 and name CA )
 do ( store1 = 40.190 )  ( resid 33 and name CB )
 do ( store1 = 4.284 )  ( resid 33 and name HA )
 do ( store1 = 1.682 )  ( resid 33 and name HB )
 do ( store1 = 0.573 )  ( resid 33 and name HG2* )
 do ( store1 = 0.956 )  ( resid 33 and name HG12 )
 do ( store1 = 0.347 )  ( resid 33 and name HG11 )
 do ( store1 = 0.241 )  ( resid 33 and name HD1* )
 do ( store1 = 26.580 )  ( resid 33 and name CG1 )
 do ( store1 = 17.220 )  ( resid 33 and name CG2 )
 do ( store1 = 13.810 )  ( resid 33 and name CD1 )
 do ( store1 = 63.210 )  ( resid 34 and name CA )
 do ( store1 = 32.470 )  ( resid 34 and name CB )
 do ( store1 = 177.370 )  ( resid 34 and name C )
 do ( store1 = 27.540 )  ( resid 34 and name CG )
 do ( store1 = 50.860 )  ( resid 34 and name CD )
 do ( store1 = 4.494 )  ( resid 34 and name HA )
 do ( store1 = 2.331 )  ( resid 34 and name HB2 )
 do ( store1 = 2.003 )  ( resid 34 and name HG* )
 do ( store1 = 1.780 )  ( resid 34 and name HB1 )
 do ( store1 = 3.805 )  ( resid 34 and name HD2 )
 do ( store1 = 3.510 )  ( resid 34 and name HD1 )
 do ( store1 = 107.000 )  ( resid 35 and name N )
 do ( store1 = 7.884 )  ( resid 35 and name HN )
 do ( store1 = 46.130 )  ( resid 35 and name CA )
 do ( store1 = 173.390 )  ( resid 35 and name C )
 do ( store1 = 3.723 )  ( resid 35 and name HA* )
 do ( store1 = 115.830 )  ( resid 36 and name N )
 do ( store1 = 7.757 )  ( resid 36 and name HN )
 do ( store1 = 55.930 )  ( resid 36 and name CA )
 do ( store1 = 30.450 )  ( resid 36 and name CB )
 do ( store1 = 175.880 )  ( resid 36 and name C )
 do ( store1 = 3.169 )  ( resid 36 and name HB2 )
 do ( store1 = 2.925 )  ( resid 36 and name HB1 )
 do ( store1 = 4.574 )  ( resid 36 and name HA )
 do ( store1 = 6.940 )  ( resid 36 and name HD2 )
 do ( store1 = 122.620 )  ( resid 37 and name N )
 do ( store1 = 7.431 )  ( resid 37 and name HN )
 do ( store1 = 55.680 )  ( resid 37 and name CA )
 do ( store1 = 42.310 )  ( resid 37 and name CB )
 do ( store1 = 176.800 )  ( resid 37 and name C )
 do ( store1 = 4.081 )  ( resid 37 and name HA )
 do ( store1 = 1.419 )  ( resid 37 and name HB* )
 do ( store1 = 0.762 )  ( resid 37 and name HD2* )
 do ( store1 = 0.635 )  ( resid 37 and name HD1* )
 do ( store1 = 1.090 )  ( resid 37 and name HG )
 do ( store1 = 26.900 )  ( resid 37 and name CG )
 do ( store1 = 25.300 )  ( resid 37 and name CD2 )
 do ( store1 = 23.500 )  ( resid 37 and name CD1 )
 do ( store1 = 116.370 )  ( resid 38 and name N )
 do ( store1 = 8.500 )  ( resid 38 and name HN )
 do ( store1 = 53.770 )  ( resid 38 and name CA )
 do ( store1 = 39.140 )  ( resid 38 and name CB )
 do ( store1 = 174.950 )  ( resid 38 and name C )
 do ( store1 = 4.539 )  ( resid 38 and name HA )
 do ( store1 = 2.697 )  ( resid 38 and name HB* )
 do ( store1 = 112.350 )  ( resid 38 and name ND2 )
 do ( store1 = 7.469 )  ( resid 38 and name HD22 )
 do ( store1 = 6.780 )  ( resid 38 and name HD21 )
 do ( store1 = 112.010 )  ( resid 39 and name N )
 do ( store1 = 7.531 )  ( resid 39 and name HN )
 do ( store1 = 57.740 )  ( resid 39 and name CA )
 do ( store1 = 64.300 )  ( resid 39 and name CB )
 do ( store1 = 172.680 )  ( resid 39 and name C )
 do ( store1 = 4.352 )  ( resid 39 and name HA )
 do ( store1 = 3.703 )  ( resid 39 and name HB* )
 do ( store1 = 123.030 )  ( resid 40 and name N )
 do ( store1 = 7.881 )  ( resid 40 and name HN )
 do ( store1 = 58.770 )  ( resid 40 and name CA )
 do ( store1 = 41.050 )  ( resid 40 and name CB )
 do ( store1 = 173.770 )  ( resid 40 and name C )
 do ( store1 = 2.845 )  ( resid 40 and name HB2 )
 do ( store1 = 2.496 )  ( resid 40 and name HB1 )
 do ( store1 = 4.347 )  ( resid 40 and name HA )
 do ( store1 = 6.546 )  ( resid 40 and name HE* )
 do ( store1 = 6.712 )  ( resid 40 and name HD* )
 do ( store1 = 118.230 )  ( resid 40 and name CE* )
 do ( store1 = 132.810 )  ( resid 40 and name CD* )
 do ( store1 = 121.710 )  ( resid 41 and name N )
 do ( store1 = 7.344 )  ( resid 41 and name HN )
 do ( store1 = 61.450 )  ( resid 41 and name CA )
 do ( store1 = 70.480 )  ( resid 41 and name CB )
 do ( store1 = 172.400 )  ( resid 41 and name C )
 do ( store1 = 21.240 )  ( resid 41 and name CG2 )
 do ( store1 = 3.644 )  ( resid 41 and name HB )
 do ( store1 = 0.895 )  ( resid 41 and name HG2* )
 do ( store1 = 4.144 )  ( resid 41 and name HA )
 do ( store1 = 125.910 )  ( resid 42 and name N )
 do ( store1 = 8.056 )  ( resid 42 and name HN )
 do ( store1 = 60.430 )  ( resid 42 and name CA )
 do ( store1 = 38.290 )  ( resid 42 and name CB )
 do ( store1 = 175.500 )  ( resid 42 and name C )
 do ( store1 = 26.940 )  ( resid 42 and name CG1 )
 do ( store1 = 17.300 )  ( resid 42 and name CG2 )
 do ( store1 = 12.740 )  ( resid 42 and name CD1 )
 do ( store1 = 3.731 )  ( resid 42 and name HA )
 do ( store1 = 1.195 )  ( resid 42 and name HB )
 do ( store1 = 0.158 )  ( resid 42 and name HG2* )
 do ( store1 = -0.030 )  ( resid 42 and name HD1* )
 do ( store1 = 0.457 )  ( resid 42 and name HG11 )
 do ( store1 = 1.020 )  ( resid 42 and name HG12 )
 do ( store1 = 127.960 )  ( resid 43 and name N )
 do ( store1 = 8.371 )  ( resid 43 and name HN )
 do ( store1 = 56.320 )  ( resid 43 and name CA )
 do ( store1 = 33.450 )  ( resid 43 and name CB )
 do ( store1 = 4.230 )  ( resid 43 and name HA )
 do ( store1 = 1.710 )  ( resid 43 and name HB* )
 do ( store1 = 1.380 )  ( resid 43 and name HG2 )
 do ( store1 = 1.290 )  ( resid 43 and name HG1 )
 do ( store1 = 2.910 )  ( resid 43 and name HE* )
 do ( store1 = 1.600 )  ( resid 43 and name HD* )
 do ( store1 = 25.050 )  ( resid 43 and name CG )
 do ( store1 = 28.900 )  ( resid 43 and name CD )
 do ( store1 = 42.080 )  ( resid 43 and name CE )
 do ( store1 = 45.900 )  ( resid 44 and name CA )
 do ( store1 = 175.310 )  ( resid 44 and name C )
 do ( store1 = 4.101 )  ( resid 44 and name HA2 )
 do ( store1 = 3.733 )  ( resid 44 and name HA1 )
 do ( store1 = 120.050 )  ( resid 45 and name N )
 do ( store1 = 7.738 )  ( resid 45 and name HN )
 do ( store1 = 54.580 )  ( resid 45 and name CA )
 do ( store1 = 41.820 )  ( resid 45 and name CB )
 do ( store1 = 177.020 )  ( resid 45 and name C )
 do ( store1 = 25.990 )  ( resid 45 and name CD2 )
 do ( store1 = 20.680 )  ( resid 45 and name CD1 )
 do ( store1 = 4.243 )  ( resid 45 and name HA )
 do ( store1 = 1.576 )  ( resid 45 and name HB2 )
 do ( store1 = 1.014 )  ( resid 45 and name HB1 )
 do ( store1 = 0.388 )  ( resid 45 and name HD2* )
 do ( store1 = -0.203 )  ( resid 45 and name HD1* )
 do ( store1 = 1.090 )  ( resid 45 and name HG )
 do ( store1 = 26.050 )  ( resid 45 and name CG )
 do ( store1 = 124.710 )  ( resid 46 and name N )
 do ( store1 = 8.650 )  ( resid 46 and name HN )
 do ( store1 = 53.460 )  ( resid 46 and name CA )
 do ( store1 = 33.650 )  ( resid 46 and name CB )
 do ( store1 = 4.740 )  ( resid 46 and name HA )
 do ( store1 = 1.710 )  ( resid 46 and name HB1 )
 do ( store1 = 1.520 )  ( resid 46 and name HG2 )
 do ( store1 = 1.820 )  ( resid 46 and name HB2 )
 do ( store1 = 1.440 )  ( resid 46 and name HG1 )
 do ( store1 = 1.640 )  ( resid 46 and name HD* )
 do ( store1 = 2.970 )  ( resid 46 and name HE* )
 do ( store1 = 24.900 )  ( resid 46 and name CG )
 do ( store1 = 29.300 )  ( resid 46 and name CD )
 do ( store1 = 42.400 )  ( resid 46 and name CE )
 do ( store1 = 63.270 )  ( resid 47 and name CA )
 do ( store1 = 32.090 )  ( resid 47 and name CB )
 do ( store1 = 177.430 )  ( resid 47 and name C )
 do ( store1 = 27.580 )  ( resid 47 and name CG )
 do ( store1 = 51.230 )  ( resid 47 and name CD )
 do ( store1 = 4.506 )  ( resid 47 and name HA )
 do ( store1 = 2.207 )  ( resid 47 and name HB2 )
 do ( store1 = 1.880 )  ( resid 47 and name HB1 )
 do ( store1 = 2.050 )  ( resid 47 and name HG2 )
 do ( store1 = 1.940 )  ( resid 47 and name HG1 )
 do ( store1 = 3.920 )  ( resid 47 and name HD2 )
 do ( store1 = 3.670 )  ( resid 47 and name HD1 )
 do ( store1 = 111.390 )  ( resid 48 and name N )
 do ( store1 = 8.704 )  ( resid 48 and name HN )
 do ( store1 = 45.730 )  ( resid 48 and name CA )
 do ( store1 = 173.610 )  ( resid 48 and name C )
 do ( store1 = 4.094 )  ( resid 48 and name HA2 )
 do ( store1 = 3.594 )  ( resid 48 and name HA1 )
 do ( store1 = 121.490 )  ( resid 49 and name N )
 do ( store1 = 7.123 )  ( resid 49 and name HN )
 do ( store1 = 62.000 )  ( resid 49 and name CA )
 do ( store1 = 33.570 )  ( resid 49 and name CB )
 do ( store1 = 174.640 )  ( resid 49 and name C )
 do ( store1 = 22.410 )  ( resid 49 and name CG2 )
 do ( store1 = 20.010 )  ( resid 49 and name CG1 )
 do ( store1 = 3.828 )  ( resid 49 and name HA )
 do ( store1 = 1.853 )  ( resid 49 and name HB )
 do ( store1 = 0.691 )  ( resid 49 and name HG2* )
 do ( store1 = 0.086 )  ( resid 49 and name HG1* )
 do ( store1 = 125.900 )  ( resid 50 and name N )
 do ( store1 = 8.097 )  ( resid 50 and name HN )
 do ( store1 = 62.160 )  ( resid 50 and name CA )
 do ( store1 = 31.630 )  ( resid 50 and name CB )
 do ( store1 = 174.900 )  ( resid 50 and name C )
 do ( store1 = 21.700 )  ( resid 50 and name CG2 )
 do ( store1 = 4.045 )  ( resid 50 and name HA )
 do ( store1 = 1.716 )  ( resid 50 and name HB )
 do ( store1 = 0.740 )  ( resid 50 and name HG2* )
 do ( store1 = 0.784 )  ( resid 50 and name HG1* )
 do ( store1 = 21.000 )  ( resid 50 and name CG1 )
 do ( store1 = 128.610 )  ( resid 51 and name N )
 do ( store1 = 9.220 )  ( resid 51 and name HN )
 do ( store1 = 58.010 )  ( resid 51 and name CA )
 do ( store1 = 40.100 )  ( resid 51 and name CB )
 do ( store1 = 174.750 )  ( resid 51 and name C )
 do ( store1 = 2.062 )  ( resid 51 and name HB2 )
 do ( store1 = 0.841 )  ( resid 51 and name HB1 )
 do ( store1 = 4.411 )  ( resid 51 and name HA )
 do ( store1 = 6.553 )  ( resid 51 and name HD* )
 do ( store1 = 6.866 )  ( resid 51 and name HE* )
 do ( store1 = 118.120 )  ( resid 51 and name CE* )
 do ( store1 = 132.950 )  ( resid 51 and name CD* )
 do ( store1 = 118.750 )  ( resid 52 and name N )
 do ( store1 = 9.026 )  ( resid 52 and name HN )
 do ( store1 = 54.720 )  ( resid 52 and name CA )
 do ( store1 = 32.420 )  ( resid 52 and name CB )
 do ( store1 = 175.470 )  ( resid 52 and name C )
 do ( store1 = 36.400 )  ( resid 52 and name CG )
 do ( store1 = 5.176 )  ( resid 52 and name HA )
 do ( store1 = 2.183 )  ( resid 52 and name HG* )
 do ( store1 = 2.070 )  ( resid 52 and name HB2 )
 do ( store1 = 1.970 )  ( resid 52 and name HB1 )
 do ( store1 = 2.000 )  ( resid 52 and name HB* )
 do ( store1 = 108.850 )  ( resid 53 and name N )
 do ( store1 = 9.246 )  ( resid 53 and name HN )
 do ( store1 = 43.560 )  ( resid 53 and name CA )
 do ( store1 = 173.560 )  ( resid 53 and name C )
 do ( store1 = 5.873 )  ( resid 53 and name HA2 )
 do ( store1 = 3.000 )  ( resid 53 and name HA1 )
 do ( store1 = 119.610 )  ( resid 54 and name N )
 do ( store1 = 9.191 )  ( resid 54 and name HN )
 do ( store1 = 54.350 )  ( resid 54 and name CA )
 do ( store1 = 32.120 )  ( resid 54 and name CB )
 do ( store1 = 173.900 )  ( resid 54 and name C )
 do ( store1 = 33.570 )  ( resid 54 and name CG )
 do ( store1 = 4.976 )  ( resid 54 and name HA )
 do ( store1 = 1.898 )  ( resid 54 and name HG* )
 do ( store1 = 1.561 )  ( resid 54 and name HB* )
 do ( store1 = 110.120 )  ( resid 54 and name NE2 )
 do ( store1 = 6.355 )  ( resid 54 and name HE2* )
 do ( store1 = 125.270 )  ( resid 55 and name N )
 do ( store1 = 9.206 )  ( resid 55 and name HN )
 do ( store1 = 53.340 )  ( resid 55 and name CA )
 do ( store1 = 45.420 )  ( resid 55 and name CB )
 do ( store1 = 175.210 )  ( resid 55 and name C )
 do ( store1 = 26.320 )  ( resid 55 and name CD2 )
 do ( store1 = 24.180 )  ( resid 55 and name CD1 )
 do ( store1 = 5.374 )  ( resid 55 and name HA )
 do ( store1 = 2.035 )  ( resid 55 and name HB2 )
 do ( store1 = 1.473 )  ( resid 55 and name HG )
 do ( store1 = 1.241 )  ( resid 55 and name HB1 )
 do ( store1 = 0.679 )  ( resid 55 and name HD2* )
 do ( store1 = 0.737 )  ( resid 55 and name HD1* )
 do ( store1 = 27.750 )  ( resid 55 and name CG )
 do ( store1 = 130.520 )  ( resid 56 and name N )
 do ( store1 = 9.862 )  ( resid 56 and name HN )
 do ( store1 = 60.520 )  ( resid 56 and name CA )
 do ( store1 = 39.380 )  ( resid 56 and name CB )
 do ( store1 = 175.680 )  ( resid 56 and name C )
 do ( store1 = 28.300 )  ( resid 56 and name CG1 )
 do ( store1 = 18.060 )  ( resid 56 and name CG2 )
 do ( store1 = 13.630 )  ( resid 56 and name CD1 )
 do ( store1 = 4.887 )  ( resid 56 and name HA )
 do ( store1 = 0.662 )  ( resid 56 and name HG2* )
 do ( store1 = 0.988 )  ( resid 56 and name HG11 )
 do ( store1 = 1.385 )  ( resid 56 and name HG12 )
 do ( store1 = 1.894 )  ( resid 56 and name HB )
 do ( store1 = 0.618 )  ( resid 56 and name HD1* )
 do ( store1 = 122.370 )  ( resid 57 and name N )
 do ( store1 = 9.069 )  ( resid 57 and name HN )
 do ( store1 = 56.760 )  ( resid 57 and name CA )
 do ( store1 = 64.330 )  ( resid 57 and name CB )
 do ( store1 = 173.870 )  ( resid 57 and name C )
 do ( store1 = 4.745 )  ( resid 57 and name HA )
 do ( store1 = 3.716 )  ( resid 57 and name HB* )
 do ( store1 = 126.070 )  ( resid 58 and name N )
 do ( store1 = 8.335 )  ( resid 58 and name HN )
 do ( store1 = 61.170 )  ( resid 58 and name CA )
 do ( store1 = 37.610 )  ( resid 58 and name CB )
 do ( store1 = 175.680 )  ( resid 58 and name C )
 do ( store1 = 27.850 )  ( resid 58 and name CG1 )
 do ( store1 = 17.260 )  ( resid 58 and name CG2 )
 do ( store1 = 12.800 )  ( resid 58 and name CD1 )
 do ( store1 = 4.256 )  ( resid 58 and name HA )
 do ( store1 = 1.726 )  ( resid 58 and name HB )
 do ( store1 = 1.263 )  ( resid 58 and name HG12 )
 do ( store1 = 0.764 )  ( resid 58 and name HG2* )
 do ( store1 = 0.862 )  ( resid 58 and name HG11 )
 do ( store1 = 0.606 )  ( resid 58 and name HD1* )
 do ( store1 = 125.780 )  ( resid 59 and name N )
 do ( store1 = 8.458 )  ( resid 59 and name HN )
 do ( store1 = 54.850 )  ( resid 59 and name CA )
 do ( store1 = 30.260 )  ( resid 59 and name CB )
 do ( store1 = 176.530 )  ( resid 59 and name C )
 do ( store1 = 33.980 )  ( resid 59 and name CG )
 do ( store1 = 4.577 )  ( resid 59 and name HA )
 do ( store1 = 2.216 )  ( resid 59 and name HB2 )
 do ( store1 = 1.848 )  ( resid 59 and name HB1 )
 do ( store1 = 2.280 )  ( resid 59 and name HG2 )
 do ( store1 = 2.200 )  ( resid 59 and name HG1 )
 do ( store1 = 111.250 )  ( resid 59 and name NE2 )
 do ( store1 = 7.269 )  ( resid 59 and name HE22 )
 do ( store1 = 6.714 )  ( resid 59 and name HE21 )
 do ( store1 = 120.530 )  ( resid 60 and name N )
 do ( store1 = 8.357 )  ( resid 60 and name HN )
 do ( store1 = 58.010 )  ( resid 60 and name CA )
 do ( store1 = 28.760 )  ( resid 60 and name CB )
 do ( store1 = 176.200 )  ( resid 60 and name C )
 do ( store1 = 33.140 )  ( resid 60 and name CG )
 do ( store1 = 3.840 )  ( resid 60 and name HA )
 do ( store1 = 1.927 )  ( resid 60 and name HG2 )
 do ( store1 = 1.750 )  ( resid 60 and name HB2 )
 do ( store1 = 1.593 )  ( resid 60 and name HB1 )
 do ( store1 = 1.758 )  ( resid 60 and name HG1 )
 do ( store1 = 111.330 )  ( resid 60 and name NE2 )
 do ( store1 = 7.185 )  ( resid 60 and name HE22 )
 do ( store1 = 6.675 )  ( resid 60 and name HE21 )
 do ( store1 = 115.890 )  ( resid 61 and name N )
 do ( store1 = 8.116 )  ( resid 61 and name HN )
 do ( store1 = 57.750 )  ( resid 61 and name CA )
 do ( store1 = 36.820 )  ( resid 61 and name CB )
 do ( store1 = 176.270 )  ( resid 61 and name C )
 do ( store1 = 3.183 )  ( resid 61 and name HB2 )
 do ( store1 = 2.947 )  ( resid 61 and name HB1 )
 do ( store1 = 4.460 )  ( resid 61 and name HA )
 do ( store1 = 6.722 )  ( resid 61 and name HE* )
 do ( store1 = 7.032 )  ( resid 61 and name HD* )
 do ( store1 = 133.130 )  ( resid 61 and name CD* )
 do ( store1 = 118.270 )  ( resid 61 and name CE* )
 do ( store1 = 107.580 )  ( resid 62 and name N )
 do ( store1 = 7.923 )  ( resid 62 and name HN )
 do ( store1 = 45.440 )  ( resid 62 and name CA )
 do ( store1 = 173.950 )  ( resid 62 and name C )
 do ( store1 = 4.128 )  ( resid 62 and name HA2 )
 do ( store1 = 3.542 )  ( resid 62 and name HA1 )
 do ( store1 = 120.270 )  ( resid 63 and name N )
 do ( store1 = 7.610 )  ( resid 63 and name HN )
 do ( store1 = 56.630 )  ( resid 63 and name CA )
 do ( store1 = 31.270 )  ( resid 63 and name CB )
 do ( store1 = 174.240 )  ( resid 63 and name C )
 do ( store1 = 2.960 )  ( resid 63 and name HB* )
 do ( store1 = 4.500 )  ( resid 63 and name HA )
 do ( store1 = 122.080 )  ( resid 64 and name N )
 do ( store1 = 8.093 )  ( resid 64 and name HN )
 do ( store1 = 54.450 )  ( resid 64 and name CA )
 do ( store1 = 31.280 )  ( resid 64 and name CB )
 do ( store1 = 33.700 )  ( resid 64 and name CG )
 do ( store1 = 5.030 )  ( resid 64 and name HA )
 do ( store1 = 2.185 )  ( resid 64 and name HG2 )
 do ( store1 = 2.050 )  ( resid 64 and name HG1 )
 do ( store1 = 1.730 )  ( resid 64 and name HB1 )
 do ( store1 = 1.785 )  ( resid 64 and name HB2 )
 do ( store1 = 110.000 )  ( resid 64 and name NE2 )
 do ( store1 = 7.189 )  ( resid 64 and name HE22 )
 do ( store1 = 6.537 )  ( resid 64 and name HE21 )
 do ( store1 = 1.757 )  ( resid 64 and name HB* )
 do ( store1 = 55.260 )  ( resid 65 and name CA )
 do ( store1 = 32.710 )  ( resid 65 and name CB )
 do ( store1 = 174.930 )  ( resid 65 and name C )
 do ( store1 = 36.350 )  ( resid 65 and name CG )
 do ( store1 = 4.570 )  ( resid 65 and name HA )
 do ( store1 = 2.170 )  ( resid 65 and name HG* )
 do ( store1 = 2.020 )  ( resid 65 and name HB2 )
 do ( store1 = 1.860 )  ( resid 65 and name HB1 )
 do ( store1 = 124.860 )  ( resid 66 and name N )
 do ( store1 = 8.747 )  ( resid 66 and name HN )
 do ( store1 = 62.000 )  ( resid 66 and name CA )
 do ( store1 = 34.130 )  ( resid 66 and name CB )
 do ( store1 = 21.480 )  ( resid 66 and name CG2 )
 do ( store1 = 20.840 )  ( resid 66 and name CG1 )
 do ( store1 = 4.840 )  ( resid 66 and name HA )
 do ( store1 = 0.730 )  ( resid 66 and name HG1* )
 do ( store1 = 0.830 )  ( resid 66 and name HG2* )
 do ( store1 = 1.920 )  ( resid 66 and name HB )
 do ( store1 = 71.090 )  ( resid 67 and name CB )
 do ( store1 = 173.020 )  ( resid 67 and name C )
 do ( store1 = 21.640 )  ( resid 67 and name CG2 )
 do ( store1 = 1.270 )  ( resid 67 and name HG2* )
 do ( store1 = 4.092 )  ( resid 67 and name HB )
 do ( store1 = 4.680 )  ( resid 67 and name HA )
 do ( store1 = 126.000 )  ( resid 68 and name N )
 do ( store1 = 8.759 )  ( resid 68 and name HN )
 do ( store1 = 55.540 )  ( resid 68 and name CA )
 do ( store1 = 32.550 )  ( resid 68 and name CB )
 do ( store1 = 175.440 )  ( resid 68 and name C )
 do ( store1 = 28.250 )  ( resid 68 and name CG )
 do ( store1 = 43.350 )  ( resid 68 and name CD )
 do ( store1 = 5.146 )  ( resid 68 and name HA )
 do ( store1 = 2.022 )  ( resid 68 and name HB2 )
 do ( store1 = 1.749 )  ( resid 68 and name HB1 )
 do ( store1 = 1.495 )  ( resid 68 and name HG1 )
 do ( store1 = 3.198 )  ( resid 68 and name HD* )
 do ( store1 = 1.634 )  ( resid 68 and name HG2 )
 do ( store1 = 118.950 )  ( resid 69 and name N )
 do ( store1 = 7.991 )  ( resid 69 and name HN )
 do ( store1 = 56.290 )  ( resid 69 and name CA )
 do ( store1 = 39.860 )  ( resid 69 and name CB )
 do ( store1 = 172.300 )  ( resid 69 and name C )
 do ( store1 = 4.938 )  ( resid 69 and name HA )
 do ( store1 = 3.294 )  ( resid 69 and name HB2 )
 do ( store1 = 3.118 )  ( resid 69 and name HB1 )
 do ( store1 = 6.895 )  ( resid 69 and name HD* )
 do ( store1 = 6.837 )  ( resid 69 and name HE* )
 do ( store1 = 6.672 )  ( resid 69 and name HZ )
 do ( store1 = 128.030 )  ( resid 69 and name CZ )
 do ( store1 = 130.600 )  ( resid 69 and name CE* )
 do ( store1 = 132.920 )  ( resid 69 and name CD* )
 do ( store1 = 3.190 )  ( resid 69 and name HB* )
 do ( store1 = 120.110 )  ( resid 70 and name N )
 do ( store1 = 8.570 )  ( resid 70 and name HN )
 do ( store1 = 52.760 )  ( resid 70 and name CA )
 do ( store1 = 42.900 )  ( resid 70 and name CB )
 do ( store1 = 176.710 )  ( resid 70 and name C )
 do ( store1 = 5.983 )  ( resid 70 and name HA )
 do ( store1 = 2.538 )  ( resid 70 and name HB* )
 do ( store1 = 116.700 )  ( resid 71 and name N )
 do ( store1 = 9.475 )  ( resid 71 and name HN )
 do ( store1 = 57.100 )  ( resid 71 and name CA )
 do ( store1 = 41.750 )  ( resid 71 and name CB )
 do ( store1 = 172.220 )  ( resid 71 and name C )
 do ( store1 = 3.265 )  ( resid 71 and name HB* )
 do ( store1 = 5.290 )  ( resid 71 and name HA )
 do ( store1 = 6.420 )  ( resid 71 and name HZ )
 do ( store1 = 6.740 )  ( resid 71 and name HE* )
 do ( store1 = 6.888 )  ( resid 71 and name HD* )
 do ( store1 = 129.050 )  ( resid 71 and name CZ )
 do ( store1 = 130.670 )  ( resid 71 and name CE* )
 do ( store1 = 132.920 )  ( resid 71 and name CD* )
 do ( store1 = 110.540 )  ( resid 72 and name N )
 do ( store1 = 8.623 )  ( resid 72 and name HN )
 do ( store1 = 59.680 )  ( resid 72 and name CA )
 do ( store1 = 72.550 )  ( resid 72 and name CB )
 do ( store1 = 175.230 )  ( resid 72 and name C )
 do ( store1 = 21.070 )  ( resid 72 and name CG2 )
 do ( store1 = 5.007 )  ( resid 72 and name HA )
 do ( store1 = 4.473 )  ( resid 72 and name HB )
 do ( store1 = 1.165 )  ( resid 72 and name HG2* )
 do ( store1 = 111.590 )  ( resid 73 and name N )
 do ( store1 = 9.434 )  ( resid 73 and name HN )
 do ( store1 = 63.160 )  ( resid 73 and name CA )
 do ( store1 = 69.190 )  ( resid 73 and name CB )
 do ( store1 = 175.600 )  ( resid 73 and name C )
 do ( store1 = 23.150 )  ( resid 73 and name CG2 )
 do ( store1 = 4.340 )  ( resid 73 and name HA )
 do ( store1 = 1.123 )  ( resid 73 and name HG2* )
 do ( store1 = 4.310 )  ( resid 73 and name HB )
 do ( store1 = 112.180 )  ( resid 74 and name N )
 do ( store1 = 8.116 )  ( resid 74 and name HN )
 do ( store1 = 61.630 )  ( resid 74 and name CA )
 do ( store1 = 69.700 )  ( resid 74 and name CB )
 do ( store1 = 174.900 )  ( resid 74 and name C )
 do ( store1 = 21.500 )  ( resid 74 and name CG2 )
 do ( store1 = 4.301 )  ( resid 74 and name HB )
 do ( store1 = 4.486 )  ( resid 74 and name HA )
 do ( store1 = 1.144 )  ( resid 74 and name HG2* )
 do ( store1 = 118.450 )  ( resid 75 and name N )
 do ( store1 = 8.067 )  ( resid 75 and name HN )
 do ( store1 = 59.180 )  ( resid 75 and name CA )
 do ( store1 = 64.390 )  ( resid 75 and name CB )
 do ( store1 = 174.090 )  ( resid 75 and name C )
 do ( store1 = 3.895 )  ( resid 75 and name HB* )
 do ( store1 = 4.540 )  ( resid 75 and name HA )
 do ( store1 = 114.140 )  ( resid 76 and name N )
 do ( store1 = 8.201 )  ( resid 76 and name HN )
 do ( store1 = 61.630 )  ( resid 76 and name CA )
 do ( store1 = 70.210 )  ( resid 76 and name CB )
 do ( store1 = 174.290 )  ( resid 76 and name C )
 do ( store1 = 21.710 )  ( resid 76 and name CG2 )
 do ( store1 = 4.219 )  ( resid 76 and name HB )
 do ( store1 = 4.573 )  ( resid 76 and name HA )
 do ( store1 = 1.139 )  ( resid 76 and name HG2* )
 do ( store1 = 117.660 )  ( resid 77 and name N )
 do ( store1 = 8.414 )  ( resid 77 and name HN )
 do ( store1 = 58.140 )  ( resid 77 and name CA )
 do ( store1 = 64.230 )  ( resid 77 and name CB )
 do ( store1 = 174.160 )  ( resid 77 and name C )
 do ( store1 = 4.540 )  ( resid 77 and name HA )
 do ( store1 = 3.800 )  ( resid 77 and name HB* )
 do ( store1 = 117.530 )  ( resid 78 and name N )
 do ( store1 = 8.197 )  ( resid 78 and name HN )
 do ( store1 = 59.890 )  ( resid 78 and name CA )
 do ( store1 = 69.600 )  ( resid 78 and name CB )
 do ( store1 = 4.114 )  ( resid 78 and name HB )
 do ( store1 = 1.154 )  ( resid 78 and name HG2* )
 do ( store1 = 4.580 )  ( resid 78 and name HA )
 do ( store1 = 21.600 )  ( resid 78 and name CG2 )
 do ( store1 = 63.900 )  ( resid 79 and name CA )
 do ( store1 = 32.150 )  ( resid 79 and name CB )
 do ( store1 = 177.590 )  ( resid 79 and name C )
 do ( store1 = 27.560 )  ( resid 79 and name CG )
 do ( store1 = 4.330 )  ( resid 79 and name HA )
 do ( store1 = 2.220 )  ( resid 79 and name HB2 )
 do ( store1 = 1.880 )  ( resid 79 and name HB1 )
 do ( store1 = 1.978 )  ( resid 79 and name HG* )
 do ( store1 = 3.642 )  ( resid 79 and name HD1 )
 do ( store1 = 3.784 )  ( resid 79 and name HD2 )
 do ( store1 = 51.000 )  ( resid 79 and name CD )
 do ( store1 = 109.600 )  ( resid 80 and name N )
 do ( store1 = 8.480 )  ( resid 80 and name HN )
 do ( store1 = 45.300 )  ( resid 80 and name CA )
 do ( store1 = 3.917 )  ( resid 80 and name HA* )
 do ( store1 = 58.300 )  ( resid 81 and name CA )
 do ( store1 = 63.900 )  ( resid 81 and name CB )
 do ( store1 = 4.352 )  ( resid 81 and name HA )
 do ( store1 = 3.757 )  ( resid 81 and name HB* )
 do ( store1 = 56.140 )  ( resid 82 and name CA )
 do ( store1 = 30.800 )  ( resid 82 and name CB )
 do ( store1 = 176.350 )  ( resid 82 and name C )
 do ( store1 = 27.140 )  ( resid 82 and name CG )
 do ( store1 = 43.380 )  ( resid 82 and name CD )
 do ( store1 = 4.320 )  ( resid 82 and name HA )
 do ( store1 = 1.770 )  ( resid 82 and name HB2 )
 do ( store1 = 1.650 )  ( resid 82 and name HB1 )
 do ( store1 = 1.530 )  ( resid 82 and name HG* )
 do ( store1 = 3.080 )  ( resid 82 and name HD* )
 do ( store1 = 116.470 )  ( resid 83 and name N )
 do ( store1 = 8.200 )  ( resid 83 and name HN )
 do ( store1 = 58.200 )  ( resid 83 and name CA )
 do ( store1 = 63.700 )  ( resid 83 and name CB )
 do ( store1 = 4.350 )  ( resid 83 and name HA )
 do ( store1 = 3.750 )  ( resid 83 and name HB* )
 do ( store1 = 56.250 )  ( resid 88 and name CA )
 do ( store1 = 30.690 )  ( resid 88 and name CB )
 do ( store1 = 174.110 )  ( resid 88 and name C )
 do ( store1 = 4.510 )  ( resid 88 and name HA )
 do ( store1 = 2.970 )  ( resid 88 and name HB* )
 do ( store1 = 125.600 )  ( resid 89 and name N )
 do ( store1 = 7.880 )  ( resid 89 and name HN )
 do ( store1 = 57.400 )  ( resid 89 and name CA )
 do ( store1 = 30.920 )  ( resid 89 and name CB )
 do ( store1 = 4.344 )  ( resid 89 and name HA )
 do ( store1 = 3.079 )  ( resid 89 and name HB2 )
 do ( store1 = 2.944 )  ( resid 89 and name HB1 )
 do ( store1 = 7.017 )  ( resid 19 and name HH2 )
 do ( store1 = 7.330 )  ( resid 19 and name HZ2 )
 do ( store1 = 7.161 )  ( resid 19 and name HE3 )
 do ( store1 = 6.805 )  ( resid 19 and name HZ3 )
 do ( store1 = 114.900 )  ( resid 19 and name CZ2 )
 do ( store1 = 121.700 )  ( resid 19 and name CE3 )
 do ( store1 = 121.630 )  ( resid 19 and name CZ3 )
 do ( store1 = 124.020 )  ( resid 19 and name CH2 )
 do ( store1 = 125.460 )  ( resid 19 and name CD1 )
 do ( store1 = 6.618 )  ( resid 19 and name HD1 )
 do ( store1 = 128.510 )  ( resid 19 and name NE1 )
 do ( store1 = 9.836 )  ( resid 19 and name HE1 )
 do ( store1 = 6.938 )  ( resid 28 and name HH2 )
 do ( store1 = 7.298 )  ( resid 28 and name HZ2 )
 do ( store1 = 7.219 )  ( resid 28 and name HE3 )
 do ( store1 = 6.924 )  ( resid 28 and name HZ3 )
 do ( store1 = 114.760 )  ( resid 28 and name CZ2 )
 do ( store1 = 119.420 )  ( resid 28 and name CE3 )
 do ( store1 = 121.590 )  ( resid 28 and name CZ3 )
 do ( store1 = 124.310 )  ( resid 28 and name CH2 )
 do ( store1 = 128.000 )  ( resid 28 and name CD1 )
 do ( store1 = 7.291 )  ( resid 28 and name HD1 )
 do ( store1 = 130.350 )  ( resid 28 and name NE1 )
 do ( store1 = 10.004 )  ( resid 28 and name HE1 )REMARK noe peaks generated by Felix 99.0 from ana_0225.dba database
REMARK using 0.150E+00 seconds mixing time
REMARK vweak < 4.2 , upper limit 6.0
REMARK weak < 3.6 , upper limit 5.0
REMARK medium < 3.0 , upper limit 3.6
REMARK strong < 2.5 , upper limit 2.7
REMARK dnoe: 2.647998 position 8.379026 4.369029
ASSI { 1 }
     ( attr rmsd >= 4.329029 and attr rmsd <= 4.409029 )
     (( attr rmsd >= 8.339026 and attr rmsd <= 8.419026 )
     and bondedto ( attr rmsd >= 121.2454 and attr rmsd <= 122.0454 ))
      3.0 3.0 0.5999999
      peak 1 ppm1 4.369029 ppm2 8.379026 volume 47800000 weight 1.0
REMARK dnoe: 3.367513 position 8.380761 2.284851
ASSI { 2 }
     ( attr rmsd >= 2.244851 and attr rmsd <= 2.324851 )
     (( attr rmsd >= 8.340761 and attr rmsd <= 8.420761 )
     and bondedto ( attr rmsd >= 121.1763 and attr rmsd <= 121.9763 ))
      3.6 3.6 1.4
      peak 2 ppm1 2.284851 ppm2 8.380761 volume 11300000 weight 1.0
REMARK dnoe: 3.419921 position 8.382496 2.047096
ASSI { 3 }
     ( attr rmsd >= 2.007096 and attr rmsd <= 2.087096 )
     (( attr rmsd >= 8.342496 and attr rmsd <= 8.422496 )
     and bondedto ( attr rmsd >= 121.2439 and attr rmsd <= 122.0439 ))
      3.6 3.6 1.4
      peak 3 ppm1 2.047096 ppm2 8.382496 volume 10300000 weight 1.0
REMARK dnoe: 2.96002 position 8.380761 1.816774
ASSI { 4 }
     ( attr rmsd >= 1.776774 and attr rmsd <= 1.856774 )
     (( attr rmsd >= 8.340761 and attr rmsd <= 8.420761 )
     and bondedto ( attr rmsd >= 121.2067 and attr rmsd <= 122.0067 ))
      3.0 3.0 0.5999999
      peak 4 ppm1 1.816774 ppm2 8.380761 volume 24500000 weight 1.0
REMARK dnoe: 3.463892 position 7.964791 4.001085
ASSI { 5 }
     ( attr rmsd >= 3.961085 and attr rmsd <= 4.041085 )
     (( attr rmsd >= 7.924791 and attr rmsd <= 8.004791 )
     and bondedto ( attr rmsd >= 122.4423 and attr rmsd <= 123.2423 ))
      3.6 3.6 1.4
      peak 5 ppm1 4.001085 ppm2 7.964791 volume 9540000 weight 1.0
REMARK dnoe: 3.26512 position 7.967405 3.022356
ASSI { 6 }
     ( attr rmsd >= 2.982356 and attr rmsd <= 3.062356 )
     (( attr rmsd >= 7.927405 and attr rmsd <= 8.007405 )
     and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 ))
      3.6 3.6 1.4
      peak 6 ppm1 3.022356 ppm2 7.967405 volume 13600001 weight 1.0
REMARK dnoe: 2.927108 position 7.967405 1.644876
ASSI { 7 }
     ( attr rmsd >= 1.604876 and attr rmsd <= 1.684876 )
     (( attr rmsd >= 7.927405 and attr rmsd <= 8.007405 )
     and bondedto ( attr rmsd >= 122.4822 and attr rmsd <= 123.2822 ))
      3.0 3.0 0.5999999
      peak 7 ppm1 1.644876 ppm2 7.967405 volume 26200000 weight 1.0
REMARK dnoe: 3.302593 position 7.970018 1.296884
ASSI { 8 }
     ( attr rmsd >= 1.256884 and attr rmsd <= 1.336884 )
     (( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 )
     and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 ))
      3.6 3.6 1.4
      peak 8 ppm1 1.296884 ppm2 7.970018 volume 12700000 weight 1.0
REMARK dnoe: 3.382649 position 7.970018 0.9851382
ASSI { 9 }
     ( attr rmsd >= 0.9451382 and attr rmsd <= 1.025138 )
     (( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 )
     and bondedto ( attr rmsd >= 122.4822 and attr rmsd <= 123.2822 ))
      3.6 3.6 1.4
      peak 9 ppm1 0.9851382 ppm2 7.970018 volume 11000000 weight 1.0
REMARK dnoe: 3.567035 position 7.970018 0.6661468
ASSI { 10 }
     ( attr rmsd >= 0.6261468 and attr rmsd <= 0.7061468 )
     (( attr rmsd >= 7.930018 and attr rmsd <= 8.010018 )
     and bondedto ( attr rmsd >= 122.582 and attr rmsd <= 123.382 ))
      3.6 3.6 1.4
      peak 10 ppm1 0.6661468 ppm2 7.970018 volume 8000000 weight 1.0
REMARK dnoe: 3.598449 position 7.964791 0.3544006
ASSI { 11 }
     ( attr rmsd >= 0.3144006 and attr rmsd <= 0.3944006 )
     (( attr rmsd >= 7.924791 and attr rmsd <= 8.004791 )
     and bondedto ( attr rmsd >= 122.4623 and attr rmsd <= 123.2623 ))
      3.6 3.6 1.4
      peak 11 ppm1 0.3544006 ppm2 7.964791 volume 7590000 weight 1.0
REMARK dnoe: 3.223068 position 8.554347 7.718151
ASSI { 12 }
     ( attr rmsd >= 7.678151 and attr rmsd <= 7.758151 )
     (( attr rmsd >= 8.514347 and attr rmsd <= 8.594347 )
     and bondedto ( attr rmsd >= 121.5236 and attr rmsd <= 122.3236 ))
      3.6 3.6 1.4
      peak 12 ppm1 7.718151 ppm2 8.554347 volume 14700000 weight 1.0
REMARK dnoe: 3.184536 position 8.554358 4.328211
ASSI { 13 }
     ( attr rmsd >= 4.288211 and attr rmsd <= 4.368211 )
     (( attr rmsd >= 8.514358 and attr rmsd <= 8.594357 )
     and bondedto ( attr rmsd >= 121.4929 and attr rmsd <= 122.2929 ))
      3.6 3.6 1.4
      peak 13 ppm1 4.328211 ppm2 8.554358 volume 15800001 weight 1.0
REMARK dnoe: 2.834117 position 8.552073 3.991261
ASSI { 14 }
     ( attr rmsd >= 3.951261 and attr rmsd <= 4.031261 )
     (( attr rmsd >= 8.512073 and attr rmsd <= 8.592072 )
     and bondedto ( attr rmsd >= 121.4452 and attr rmsd <= 122.2452 ))
      3.0 3.0 0.5999999
      peak 14 ppm1 3.991261 ppm2 8.552073 volume 31799998 weight 1.0
REMARK dnoe: 3.133748 position 8.549799 3.618371
ASSI { 15 }
     ( attr rmsd >= 3.578371 and attr rmsd <= 3.658371 )
     (( attr rmsd >= 8.509799 and attr rmsd <= 8.589799 )
     and bondedto ( attr rmsd >= 121.4519 and attr rmsd <= 122.2519 ))
      3.6 3.6 1.4
      peak 15 ppm1 3.618371 ppm2 8.549799 volume 17400000 weight 1.0
REMARK dnoe: 3.245531 position 8.554358 1.691016
ASSI { 16 }
     ( attr rmsd >= 1.651016 and attr rmsd <= 1.731016 )
     (( attr rmsd >= 8.514358 and attr rmsd <= 8.594357 )
     and bondedto ( attr rmsd >= 121.4413 and attr rmsd <= 122.2413 ))
      3.6 3.6 1.4
      peak 16 ppm1 1.691016 ppm2 8.554358 volume 14100000 weight 1.0
REMARK dnoe: 3.198175 position 8.556633 0.338716
ASSI { 17 }
     ( attr rmsd >= 0.298716 and attr rmsd <= 0.378716 )
     (( attr rmsd >= 8.516633 and attr rmsd <= 8.596633 )
     and bondedto ( attr rmsd >= 121.5085 and attr rmsd <= 122.3085 ))
      3.6 3.6 1.4
      peak 17 ppm1 0.338716 ppm2 8.556633 volume 15400000 weight 1.0
REMARK dnoe: 3.467536 position 8.549799 0.6936479
ASSI { 18 }
     ( attr rmsd >= 0.6536479 and attr rmsd <= 0.7336479 )
     (( attr rmsd >= 8.509799 and attr rmsd <= 8.589799 )
     and bondedto ( attr rmsd >= 121.5802 and attr rmsd <= 122.3802 ))
      3.6 3.6 1.4
      peak 18 ppm1 0.6936479 ppm2 8.549799 volume 9480000 weight 1.0
REMARK dnoe: 2.993526 position 7.697121 8.590769
ASSI { 19 }
     ( attr rmsd >= 8.550769 and attr rmsd <= 8.630769 )
     (( attr rmsd >= 7.657121 and attr rmsd <= 7.737121 )
     and bondedto ( attr rmsd >= 119.3664 and attr rmsd <= 120.1664 ))
      3.0 3.0 0.5999999
      peak 19 ppm1 8.590769 ppm2 7.697121 volume 22900000 weight 1.0
REMARK dnoe: 2.58523 position 7.700942 4.356697
ASSI { 20 }
     ( attr rmsd >= 4.316697 and attr rmsd <= 4.396697 )
     (( attr rmsd >= 7.660942 and attr rmsd <= 7.740942 )
     and bondedto ( attr rmsd >= 119.3442 and attr rmsd <= 120.1442 ))
      3.0 3.0 0.5999999
      peak 20 ppm1 4.356697 ppm2 7.700942 volume 55200000 weight 1.0
REMARK dnoe: 3.531868 position 7.698598 3.962003
ASSI { 21 }
     ( attr rmsd >= 3.922003 and attr rmsd <= 4.002003 )
     (( attr rmsd >= 7.658598 and attr rmsd <= 7.738598 )
     and bondedto ( attr rmsd >= 119.3407 and attr rmsd <= 120.1407 ))
      3.6 3.6 1.4
      peak 21 ppm1 3.962003 ppm2 7.698598 volume 8490000 weight 1.0
REMARK dnoe: 3.006802 position 7.707976 3.613729
ASSI { 22 }
     ( attr rmsd >= 3.573729 and attr rmsd <= 3.653729 )
     (( attr rmsd >= 7.667976 and attr rmsd <= 7.747976 )
     and bondedto ( attr rmsd >= 119.3858 and attr rmsd <= 120.1858 ))
      3.6 3.6 1.4
      peak 22 ppm1 3.613729 ppm2 7.707976 volume 22300000 weight 1.0
REMARK dnoe: 2.874696 position 7.705631 1.724964
ASSI { 23 }
     ( attr rmsd >= 1.684964 and attr rmsd <= 1.764964 )
     (( attr rmsd >= 7.665631 and attr rmsd <= 7.745631 )
     and bondedto ( attr rmsd >= 119.4065 and attr rmsd <= 120.2065 ))
      3.0 3.0 0.5999999
      peak 23 ppm1 1.724964 ppm2 7.705631 volume 29200000 weight 1.0
REMARK dnoe: 2.993526 position 7.703287 1.544275
ASSI { 24 }
     ( attr rmsd >= 1.504275 and attr rmsd <= 1.584275 )
     (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
     and bondedto ( attr rmsd >= 119.3067 and attr rmsd <= 120.1067 ))
      3.0 3.0 0.5999999
      peak 24 ppm1 1.544275 ppm2 7.703287 volume 22900000 weight 1.0
REMARK dnoe: 2.841613 position 7.703287 1.125104
ASSI { 25 }
     ( attr rmsd >= 1.085104 and attr rmsd <= 1.165104 )
     (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
     and bondedto ( attr rmsd >= 119.4065 and attr rmsd <= 120.2065 ))
      3.0 3.0 0.5999999
      peak 25 ppm1 1.125104 ppm2 7.703287 volume 31300000 weight 1.0
REMARK dnoe: 3.15213 position 7.703287 0.6986885
ASSI { 26 }
     ( attr rmsd >= 0.6586885 and attr rmsd <= 0.7386885 )
     (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
     and bondedto ( attr rmsd >= 119.3866 and attr rmsd <= 120.1866 ))
      3.6 3.6 1.4
      peak 26 ppm1 0.6986885 ppm2 7.703287 volume 16800000 weight 1.0
REMARK dnoe: 3.032259 position 7.703287 0.3352928
ASSI { 27 }
     ( attr rmsd >= 0.2952928 and attr rmsd <= 0.3752928 )
     (( attr rmsd >= 7.663287 and attr rmsd <= 7.743287 )
     and bondedto ( attr rmsd >= 119.3209 and attr rmsd <= 120.1209 ))
      3.6 3.6 1.4
      peak 27 ppm1 0.3352928 ppm2 7.703287 volume 21200000 weight 1.0
REMARK dnoe: 3.110358 position 8.615034 6.85484
ASSI { 28 }
     ( attr rmsd >= 6.81484 and attr rmsd <= 6.89484 )
     (( attr rmsd >= 8.575034 and attr rmsd <= 8.655034 )
     and bondedto ( attr rmsd >= 117.8359 and attr rmsd <= 118.6359 ))
      3.6 3.6 1.4
      peak 28 ppm1 6.85484 ppm2 8.615034 volume 18200000 weight 1.0
REMARK dnoe: 3.208678 position 8.607906 9.003094
ASSI { 29 }
     ( attr rmsd >= 8.963094 and attr rmsd <= 9.043094 )
     (( attr rmsd >= 8.567906 and attr rmsd <= 8.647906 )
     and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 ))
      3.6 3.6 1.4
      peak 29 ppm1 9.003094 ppm2 8.607906 volume 15099999 weight 1.0
REMARK dnoe: 3.479881 position 8.615046 5.501556
ASSI { 31 }
     ( attr rmsd >= 5.461556 and attr rmsd <= 5.541556 )
     (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
     and bondedto ( attr rmsd >= 117.8896 and attr rmsd <= 118.6896 ))
      3.6 3.6 1.4
      peak 31 ppm1 5.501556 ppm2 8.615046 volume 9280000 weight 1.0
REMARK dnoe: 2.55026 position 8.615046 4.425977
ASSI { 32 }
     ( attr rmsd >= 4.385977 and attr rmsd <= 4.465977 )
     (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
     and bondedto ( attr rmsd >= 117.855 and attr rmsd <= 118.655 ))
      3.0 3.0 0.5999999
      peak 32 ppm1 4.425977 ppm2 8.615046 volume 59899996 weight 1.0
REMARK dnoe: 2.861775 position 8.612584 2.6659
ASSI { 33 }
     ( attr rmsd >= 2.6259 and attr rmsd <= 2.7059 )
     (( attr rmsd >= 8.572584 and attr rmsd <= 8.652584 )
     and bondedto ( attr rmsd >= 117.8361 and attr rmsd <= 118.6361 ))
      3.0 3.0 0.5999999
      peak 33 ppm1 2.6659 ppm2 8.612584 volume 30000002 weight 1.0
REMARK dnoe: 2.762231 position 8.615046 1.686562
ASSI { 34 }
     ( attr rmsd >= 1.646562 and attr rmsd <= 1.726562 )
     (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
     and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 ))
      3.0 3.0 0.5999999
      peak 34 ppm1 1.686562 ppm2 8.615046 volume 37100000 weight 1.0
REMARK dnoe: 2.763474 position 8.612584 1.58535
ASSI { 35 }
     ( attr rmsd >= 1.54535 and attr rmsd <= 1.62535 )
     (( attr rmsd >= 8.572584 and attr rmsd <= 8.652584 )
     and bondedto ( attr rmsd >= 117.8685 and attr rmsd <= 118.6685 ))
      3.0 3.0 0.5999999
      peak 35 ppm1 1.58535 ppm2 8.612584 volume 37000000 weight 1.0
REMARK dnoe: 3.059306 position 8.615046 1.072071
ASSI { 36 }
     ( attr rmsd >= 1.032071 and attr rmsd <= 1.112071 )
     (( attr rmsd >= 8.575046 and attr rmsd <= 8.655046 )
     and bondedto ( attr rmsd >= 117.8218 and attr rmsd <= 118.6218 ))
      3.6 3.6 1.4
      peak 36 ppm1 1.072071 ppm2 8.615046 volume 20100000 weight 1.0
REMARK dnoe: 3.32934 position 8.617519 0.6956177
ASSI { 37 }
     ( attr rmsd >= 0.6556177 and attr rmsd <= 0.7356177 )
     (( attr rmsd >= 8.577519 and attr rmsd <= 8.657519 )
     and bondedto ( attr rmsd >= 117.8504 and attr rmsd <= 118.6504 ))
      3.6 3.6 1.4
      peak 37 ppm1 0.6956177 ppm2 8.617519 volume 12100000 weight 1.0
REMARK dnoe: 3.523615 position 8.61011 0.2841597
ASSI { 38 }
     ( attr rmsd >= 0.2441597 and attr rmsd <= 0.3241597 )
     (( attr rmsd >= 8.57011 and attr rmsd <= 8.65011 )
     and bondedto ( attr rmsd >= 117.8088 and attr rmsd <= 118.6088 ))
      3.6 3.6 1.4
      peak 38 ppm1 0.2841597 ppm2 8.61011 volume 8610000 weight 1.0
REMARK dnoe: 3.548788 position 8.613944 3.681719
ASSI { 39 }
     ( attr rmsd >= 3.641719 and attr rmsd <= 3.721719 )
     (( attr rmsd >= 8.573944 and attr rmsd <= 8.653944 )
     and bondedto ( attr rmsd >= 117.8486 and attr rmsd <= 118.6486 ))
      3.6 3.6 1.4
      peak 39 ppm1 3.681719 ppm2 8.613944 volume 8250000 weight 1.0
REMARK dnoe: 3.223068 position 9.223698 9.881643
ASSI { 40 }
     ( attr rmsd >= 9.841643 and attr rmsd <= 9.921643 )
     (( attr rmsd >= 9.183698 and attr rmsd <= 9.263698 )
     and bondedto ( attr rmsd >= 121.2237 and attr rmsd <= 122.0237 ))
      3.6 3.6 1.4
      peak 40 ppm1 9.881643 ppm2 9.223698 volume 14700000 weight 1.0
REMARK dnoe: 3.436811 position 9.211531 6.855567
ASSI { 41 }
     ( attr rmsd >= 6.815567 and attr rmsd <= 6.895567 )
     (( attr rmsd >= 9.171531 and attr rmsd <= 9.251531 )
     and bondedto ( attr rmsd >= 121.2284 and attr rmsd <= 122.0284 ))
      3.6 3.6 1.4
      peak 41 ppm1 6.855567 ppm2 9.211531 volume 10000000 weight 1.0
REMARK dnoe: 2.548844 position 9.211366 5.493655
ASSI { 42 }
     ( attr rmsd >= 5.453655 and attr rmsd <= 5.533655 )
     (( attr rmsd >= 9.171366 and attr rmsd <= 9.251366 )
     and bondedto ( attr rmsd >= 121.2374 and attr rmsd <= 122.0374 ))
      3.0 3.0 0.5999999
      peak 42 ppm1 5.493655 ppm2 9.211366 volume 60100000 weight 1.0
REMARK dnoe: 2.843129 position 9.210732 4.749468
ASSI { 43 }
     ( attr rmsd >= 4.709468 and attr rmsd <= 4.789468 )
     (( attr rmsd >= 9.170732 and attr rmsd <= 9.250732 )
     and bondedto ( attr rmsd >= 121.2497 and attr rmsd <= 122.0497 ))
      3.0 3.0 0.5999999
      peak 43 ppm1 4.749468 ppm2 9.210732 volume 31200000 weight 1.0
REMARK dnoe: 2.97021 position 9.213406 2.679287
ASSI { 44 }
     ( attr rmsd >= 2.639287 and attr rmsd <= 2.719287 )
     (( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 )
     and bondedto ( attr rmsd >= 121.2345 and attr rmsd <= 122.0345 ))
      3.0 3.0 0.5999999
      peak 44 ppm1 2.679287 ppm2 9.213406 volume 24000000 weight 1.0
REMARK dnoe: 2.978541 position 9.213406 1.910999
ASSI { 45 }
     ( attr rmsd >= 1.870999 and attr rmsd <= 1.950999 )
     (( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 )
     and bondedto ( attr rmsd >= 121.2413 and attr rmsd <= 122.0413 ))
      3.0 3.0 0.5999999
      peak 45 ppm1 1.910999 ppm2 9.213406 volume 23600000 weight 1.0
REMARK dnoe: 2.801324 position 9.211999 1.651183
ASSI { 46 }
     ( attr rmsd >= 1.611183 and attr rmsd <= 1.691183 )
     (( attr rmsd >= 9.171999 and attr rmsd <= 9.251999 )
     and bondedto ( attr rmsd >= 121.238 and attr rmsd <= 122.038 ))
      3.0 3.0 0.5999999
      peak 46 ppm1 1.651183 ppm2 9.211999 volume 34100000 weight 1.0
REMARK dnoe: 3.054262 position 9.220439 1.355051
ASSI { 47 }
     ( attr rmsd >= 1.315051 and attr rmsd <= 1.395051 )
     (( attr rmsd >= 9.180439 and attr rmsd <= 9.260439 )
     and bondedto ( attr rmsd >= 121.2233 and attr rmsd <= 122.0233 ))
      3.6 3.6 1.4
      peak 47 ppm1 1.355051 ppm2 9.220439 volume 20300000 weight 1.0
REMARK dnoe: 3.018188 position 9.214812 1.042156
ASSI { 48 }
     ( attr rmsd >= 1.002156 and attr rmsd <= 1.082156 )
     (( attr rmsd >= 9.174812 and attr rmsd <= 9.254812 )
     and bondedto ( attr rmsd >= 121.2224 and attr rmsd <= 122.0224 ))
      3.6 3.6 1.4
      peak 48 ppm1 1.042156 ppm2 9.214812 volume 21800000 weight 1.0
REMARK dnoe: 2.650778 position 9.211999 0.6929207
ASSI { 49 }
     ( attr rmsd >= 0.6529207 and attr rmsd <= 0.7329207 )
     (( attr rmsd >= 9.171999 and attr rmsd <= 9.251999 )
     and bondedto ( attr rmsd >= 121.2481 and attr rmsd <= 122.0481 ))
      3.0 3.0 0.5999999
      peak 49 ppm1 0.6929207 ppm2 9.211999 volume 47500000 weight 1.0
REMARK dnoe: 3.758054 position 9.213406 0.2682877
ASSI { 50 }
     ( attr rmsd >= 0.2282877 and attr rmsd <= 0.3082877 )
     (( attr rmsd >= 9.173406 and attr rmsd <= 9.253406 )
     and bondedto ( attr rmsd >= 121.1956 and attr rmsd <= 121.9956 ))
      4.2 4.2 1.8
      peak 50 ppm1 0.2682877 ppm2 9.213406 volume 5850000 weight 1.0
REMARK dnoe: 2.995711 position 9.122932 9.39978
ASSI { 51 }
     ( attr rmsd >= 9.35978 and attr rmsd <= 9.43978 )
     (( attr rmsd >= 9.082932 and attr rmsd <= 9.162932 )
     and bondedto ( attr rmsd >= 128.8926 and attr rmsd <= 129.6926 ))
      3.0 3.0 0.5999999
      peak 51 ppm1 9.39978 ppm2 9.122932 volume 22800000 weight 1.0
REMARK dnoe: 3.315778 position 9.119556 5.440811
ASSI { 52 }
     ( attr rmsd >= 5.400811 and attr rmsd <= 5.480811 )
     (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
     and bondedto ( attr rmsd >= 128.9436 and attr rmsd <= 129.7436 ))
      3.6 3.6 1.4
      peak 52 ppm1 5.440811 ppm2 9.119556 volume 12400000 weight 1.0
REMARK dnoe: 2.516411 position 9.117903 4.743209
ASSI { 53 }
     ( attr rmsd >= 4.703209 and attr rmsd <= 4.783209 )
     (( attr rmsd >= 9.077903 and attr rmsd <= 9.157903 )
     and bondedto ( attr rmsd >= 128.9275 and attr rmsd <= 129.7275 ))
      3.0 3.0 0.5999999
      peak 53 ppm1 4.743209 ppm2 9.117903 volume 64900000 weight 1.0
REMARK dnoe: 2.789187 position 9.119556 1.836444
ASSI { 54 }
     ( attr rmsd >= 1.796444 and attr rmsd <= 1.876444 )
     (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
     and bondedto ( attr rmsd >= 128.9733 and attr rmsd <= 129.7733 ))
      3.0 3.0 0.5999999
      peak 54 ppm1 1.836444 ppm2 9.119556 volume 35000000 weight 1.0
REMARK dnoe: 2.818099 position 9.119556 1.467587
ASSI { 55 }
     ( attr rmsd >= 1.427587 and attr rmsd <= 1.507587 )
     (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
     and bondedto ( attr rmsd >= 128.9332 and attr rmsd <= 129.7332 ))
      3.0 3.0 0.5999999
      peak 55 ppm1 1.467587 ppm2 9.119556 volume 32900000 weight 1.0
REMARK dnoe: 2.676759 position 9.119556 1.068343
ASSI { 56 }
     ( attr rmsd >= 1.028343 and attr rmsd <= 1.108343 )
     (( attr rmsd >= 9.079556 and attr rmsd <= 9.159556 )
     and bondedto ( attr rmsd >= 128.9016 and attr rmsd <= 129.7016 ))
      3.0 3.0 0.5999999
      peak 56 ppm1 1.068343 ppm2 9.119556 volume 44800000 weight 1.0
REMARK dnoe: 2.628214 position 9.121572 0.6939526
ASSI { 57 }
     ( attr rmsd >= 0.6539526 and attr rmsd <= 0.7339526 )
     (( attr rmsd >= 9.081572 and attr rmsd <= 9.161572 )
     and bondedto ( attr rmsd >= 128.8834 and attr rmsd <= 129.6834 ))
      3.0 3.0 0.5999999
      peak 57 ppm1 0.6939526 ppm2 9.121572 volume 50000000 weight 1.0
REMARK dnoe: 3.504215 position 9.115536 0.2598004
ASSI { 58 }
     ( attr rmsd >= 0.2198004 and attr rmsd <= 0.2998004 )
     (( attr rmsd >= 9.075536 and attr rmsd <= 9.155536 )
     and bondedto ( attr rmsd >= 128.8942 and attr rmsd <= 129.6942 ))
      3.6 3.6 1.4
      peak 58 ppm1 0.2598004 ppm2 9.115536 volume 8900000 weight 1.0
REMARK dnoe: 3.273193 position 9.319036 6.112787
ASSI { 59 }
     ( attr rmsd >= 6.072787 and attr rmsd <= 6.152787 )
     (( attr rmsd >= 9.279036 and attr rmsd <= 9.359035 )
     and bondedto ( attr rmsd >= 124.2598 and attr rmsd <= 125.0598 ))
      3.6 3.6 1.4
      peak 59 ppm1 6.112787 ppm2 9.319036 volume 13400000 weight 1.0
REMARK dnoe: 2.673783 position 9.329844 5.426884
ASSI { 60 }
     ( attr rmsd >= 5.386884 and attr rmsd <= 5.466884 )
     (( attr rmsd >= 9.289845 and attr rmsd <= 9.369844 )
     and bondedto ( attr rmsd >= 124.2985 and attr rmsd <= 125.0985 ))
      3.0 3.0 0.5999999
      peak 60 ppm1 5.426884 ppm2 9.329844 volume 45100000 weight 1.0
REMARK dnoe: 2.852345 position 9.333595 1.798159
ASSI { 61 }
     ( attr rmsd >= 1.758159 and attr rmsd <= 1.838159 )
     (( attr rmsd >= 9.293595 and attr rmsd <= 9.373595 )
     and bondedto ( attr rmsd >= 124.3131 and attr rmsd <= 125.1131 ))
      3.0 3.0 0.5999999
      peak 61 ppm1 1.798159 ppm2 9.333595 volume 30600000 weight 1.0
REMARK dnoe: 2.779997 position 9.331181 1.408036
ASSI { 62 }
     ( attr rmsd >= 1.368036 and attr rmsd <= 1.448036 )
     (( attr rmsd >= 9.291181 and attr rmsd <= 9.371181 )
     and bondedto ( attr rmsd >= 124.3198 and attr rmsd <= 125.1198 ))
      3.0 3.0 0.5999999
      peak 62 ppm1 1.408036 ppm2 9.331181 volume 35700000 weight 1.0
REMARK dnoe: 2.853902 position 9.331181 0.9599817
ASSI { 63 }
     ( attr rmsd >= 0.9199817 and attr rmsd <= 0.9999817 )
     (( attr rmsd >= 9.291181 and attr rmsd <= 9.371181 )
     and bondedto ( attr rmsd >= 124.3198 and attr rmsd <= 125.1198 ))
      3.0 3.0 0.5999999
      peak 63 ppm1 0.9599817 ppm2 9.331181 volume 30500000 weight 1.0
REMARK dnoe: 2.962039 position 9.320021 0.6998138
ASSI { 64 }
     ( attr rmsd >= 0.6598138 and attr rmsd <= 0.7398138 )
     (( attr rmsd >= 9.280021 and attr rmsd <= 9.360021 )
     and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 ))
      3.0 3.0 0.5999999
      peak 64 ppm1 0.6998138 ppm2 9.320021 volume 24400000 weight 1.0
REMARK dnoe: 3.520216 position 9.079992 8.442621
ASSI { 65 }
     ( attr rmsd >= 8.402621 and attr rmsd <= 8.482621 )
     (( attr rmsd >= 9.039992 and attr rmsd <= 9.119992 )
     and bondedto ( attr rmsd >= 120.5927 and attr rmsd <= 121.3927 ))
      3.6 3.6 1.4
      peak 65 ppm1 8.442621 ppm2 9.079992 volume 8660000 weight 1.0
REMARK dnoe: 3.082753 position 9.084517 7.221284
ASSI { 66 }
     ( attr rmsd >= 7.181284 and attr rmsd <= 7.261284 )
     (( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 )
     and bondedto ( attr rmsd >= 120.5737 and attr rmsd <= 121.3737 ))
      3.6 3.6 1.4
      peak 66 ppm1 7.221284 ppm2 9.084517 volume 19200000 weight 1.0
REMARK dnoe: 3.763434 position 9.084517 6.854442
ASSI { 67 }
     ( attr rmsd >= 6.814442 and attr rmsd <= 6.894442 )
     (( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 )
     and bondedto ( attr rmsd >= 120.6259 and attr rmsd <= 121.4259 ))
      4.2 4.2 1.8
      peak 67 ppm1 6.854442 ppm2 9.084517 volume 5800000 weight 1.0
REMARK dnoe: 3.431116 position 9.091316 6.581544
ASSI { 68 }
     ( attr rmsd >= 6.541544 and attr rmsd <= 6.621544 )
     (( attr rmsd >= 9.051316 and attr rmsd <= 9.131316 )
     and bondedto ( attr rmsd >= 120.5821 and attr rmsd <= 121.3821 ))
      3.6 3.6 1.4
      peak 68 ppm1 6.581544 ppm2 9.091316 volume 10100000 weight 1.0
REMARK dnoe: 2.894872 position 9.084517 6.134169
ASSI { 69 }
     ( attr rmsd >= 6.094169 and attr rmsd <= 6.174169 )
     (( attr rmsd >= 9.044517 and attr rmsd <= 9.124516 )
     and bondedto ( attr rmsd >= 120.578 and attr rmsd <= 121.378 ))
      3.0 3.0 0.5999999
      peak 69 ppm1 6.134169 ppm2 9.084517 volume 28000000 weight 1.0
REMARK dnoe: 3.50225 position 9.086792 5.619672
ASSI { 70 }
     ( attr rmsd >= 5.579672 and attr rmsd <= 5.659672 )
     (( attr rmsd >= 9.046792 and attr rmsd <= 9.126792 )
     and bondedto ( attr rmsd >= 120.5764 and attr rmsd <= 121.3764 ))
      3.6 3.6 1.4
      peak 70 ppm1 5.619672 ppm2 9.086792 volume 8930000 weight 1.0
REMARK dnoe: 3.056777 position 9.075338 1.747635
ASSI { 71 }
     ( attr rmsd >= 1.707635 and attr rmsd <= 1.787635 )
     (( attr rmsd >= 9.035338 and attr rmsd <= 9.115338 )
     and bondedto ( attr rmsd >= 120.5616 and attr rmsd <= 121.3616 ))
      3.6 3.6 1.4
      peak 71 ppm1 1.747635 ppm2 9.075338 volume 20200000 weight 1.0
REMARK dnoe: 3.223068 position 9.08365 1.348299
ASSI { 72 }
     ( attr rmsd >= 1.308299 and attr rmsd <= 1.388299 )
     (( attr rmsd >= 9.04365 and attr rmsd <= 9.12365 )
     and bondedto ( attr rmsd >= 120.5401 and attr rmsd <= 121.3401 ))
      3.6 3.6 1.4
      peak 72 ppm1 1.348299 ppm2 9.08365 volume 14700000 weight 1.0
REMARK dnoe: 2.966105 position 8.778562 9.059994
ASSI { 73 }
     ( attr rmsd >= 9.019994 and attr rmsd <= 9.099994 )
     (( attr rmsd >= 8.738562 and attr rmsd <= 8.818562 )
     and bondedto ( attr rmsd >= 115.4919 and attr rmsd <= 116.2919 ))
      3.0 3.0 0.5999999
      peak 73 ppm1 9.059994 ppm2 8.778562 volume 24200000 weight 1.0
REMARK dnoe: 3.393009 position 8.778421 7.237273
ASSI { 74 }
     ( attr rmsd >= 7.197273 and attr rmsd <= 7.277273 )
     (( attr rmsd >= 8.738421 and attr rmsd <= 8.818421 )
     and bondedto ( attr rmsd >= 115.3721 and attr rmsd <= 116.1721 ))
      3.6 3.6 1.4
      peak 74 ppm1 7.237273 ppm2 8.778421 volume 10800000 weight 1.0
REMARK dnoe: 2.946155 position 8.776241 6.913711
ASSI { 75 }
     ( attr rmsd >= 6.873711 and attr rmsd <= 6.953711 )
     (( attr rmsd >= 8.736241 and attr rmsd <= 8.816241 )
     and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 ))
      3.0 3.0 0.5999999
      peak 75 ppm1 6.913711 ppm2 8.776241 volume 25200000 weight 1.0
REMARK dnoe: 2.579037 position 8.778399 6.600769
ASSI { 76 }
     ( attr rmsd >= 6.560769 and attr rmsd <= 6.640769 )
     (( attr rmsd >= 8.7384 and attr rmsd <= 8.818399 )
     and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 ))
      3.0 3.0 0.5999999
      peak 76 ppm1 6.600769 ppm2 8.778399 volume 56000000 weight 1.0
REMARK dnoe: 3.553831 position 8.768047 5.891936
ASSI { 77 }
     ( attr rmsd >= 5.851936 and attr rmsd <= 5.931936 )
     (( attr rmsd >= 8.728047 and attr rmsd <= 8.808047 )
     and bondedto ( attr rmsd >= 115.4319 and attr rmsd <= 116.2319 ))
      3.6 3.6 1.4
      peak 77 ppm1 5.891936 ppm2 8.768047 volume 8180000 weight 1.0
REMARK dnoe: 3.3433 position 8.778374 4.981971
ASSI { 79 }
     ( attr rmsd >= 4.941971 and attr rmsd <= 5.021971 )
     (( attr rmsd >= 8.738374 and attr rmsd <= 8.818374 )
     and bondedto ( attr rmsd >= 115.3743 and attr rmsd <= 116.1743 ))
      3.6 3.6 1.4
      peak 79 ppm1 4.981971 ppm2 8.778374 volume 11800000 weight 1.0
REMARK dnoe: 3.965166 position 8.769747 4.418732
ASSI { 80 }
     ( attr rmsd >= 4.378732 and attr rmsd <= 4.458732 )
     (( attr rmsd >= 8.729747 and attr rmsd <= 8.809747 )
     and bondedto ( attr rmsd >= 115.3481 and attr rmsd <= 116.1481 ))
      4.2 4.2 1.8
      peak 80 ppm1 4.418732 ppm2 8.769747 volume 4240000 weight 1.0
REMARK dnoe: 3.056777 position 8.77862 3.598349
ASSI { 81 }
     ( attr rmsd >= 3.558349 and attr rmsd <= 3.638349 )
     (( attr rmsd >= 8.73862 and attr rmsd <= 8.81862 )
     and bondedto ( attr rmsd >= 115.3813 and attr rmsd <= 116.1813 ))
      3.6 3.6 1.4
      peak 81 ppm1 3.598349 ppm2 8.77862 volume 20200000 weight 1.0
REMARK dnoe: 2.962039 position 8.768996 3.246629
ASSI { 82 }
     ( attr rmsd >= 3.206629 and attr rmsd <= 3.286629 )
     (( attr rmsd >= 8.728996 and attr rmsd <= 8.808996 )
     and bondedto ( attr rmsd >= 115.3737 and attr rmsd <= 116.1737 ))
      3.0 3.0 0.5999999
      peak 82 ppm1 3.246629 ppm2 8.768996 volume 24400000 weight 1.0
REMARK dnoe: 3.281406 position 8.766101 1.942228
ASSI { 83 }
     ( attr rmsd >= 1.902228 and attr rmsd <= 1.982228 )
     (( attr rmsd >= 8.726101 and attr rmsd <= 8.806101 )
     and bondedto ( attr rmsd >= 115.3905 and attr rmsd <= 116.1905 ))
      3.6 3.6 1.4
      peak 83 ppm1 1.942228 ppm2 8.766101 volume 13200000 weight 1.0
REMARK dnoe: 3.362571 position 8.768879 1.477902
ASSI { 85 }
     ( attr rmsd >= 1.437902 and attr rmsd <= 1.517902 )
     (( attr rmsd >= 8.728879 and attr rmsd <= 8.808879 )
     and bondedto ( attr rmsd >= 115.4319 and attr rmsd <= 116.2319 ))
      3.6 3.6 1.4
      peak 85 ppm1 1.477902 ppm2 8.768879 volume 11400000 weight 1.0
REMARK dnoe: 3.58983 position 8.768938 1.239069
ASSI { 86 }
     ( attr rmsd >= 1.199069 and attr rmsd <= 1.279069 )
     (( attr rmsd >= 8.728938 and attr rmsd <= 8.808938 )
     and bondedto ( attr rmsd >= 115.3721 and attr rmsd <= 116.1721 ))
      3.6 3.6 1.4
      peak 86 ppm1 1.239069 ppm2 8.768938 volume 7700000 weight 1.0
REMARK dnoe: 3.133748 position 8.768774 0.804847
ASSI { 87 }
     ( attr rmsd >= 0.764847 and attr rmsd <= 0.844847 )
     (( attr rmsd >= 8.728774 and attr rmsd <= 8.808774 )
     and bondedto ( attr rmsd >= 115.4719 and attr rmsd <= 116.2719 ))
      3.6 3.6 1.4
      peak 87 ppm1 0.804847 ppm2 8.768774 volume 17400000 weight 1.0
REMARK dnoe: 3.756984 position 8.777741 0.23312
ASSI { 88 }
     ( attr rmsd >= 0.19312 and attr rmsd <= 0.27312 )
     (( attr rmsd >= 8.737741 and attr rmsd <= 8.817741 )
     and bondedto ( attr rmsd >= 115.3921 and attr rmsd <= 116.1921 ))
      4.2 4.2 1.8
      peak 88 ppm1 0.23312 ppm2 8.777741 volume 5860001 weight 1.0
REMARK dnoe: 3.583651 position 8.779324 3.960221
ASSI { 89 }
     ( attr rmsd >= 3.920221 and attr rmsd <= 4.000221 )
     (( attr rmsd >= 8.739324 and attr rmsd <= 8.819324 )
     and bondedto ( attr rmsd >= 115.412 and attr rmsd <= 116.212 ))
      3.6 3.6 1.4
      peak 89 ppm1 3.960221 ppm2 8.779324 volume 7780000 weight 1.0
REMARK dnoe: 3.145919 position 8.768774 2.144275
ASSI { 90 }
     ( attr rmsd >= 2.104275 and attr rmsd <= 2.184275 )
     (( attr rmsd >= 8.728774 and attr rmsd <= 8.808774 )
     and bondedto ( attr rmsd >= 115.3905 and attr rmsd <= 116.1905 ))
      3.6 3.6 1.4
      peak 90 ppm1 2.144275 ppm2 8.768774 volume 17000000 weight 1.0
REMARK dnoe: 3.568523 position 8.94345 6.601378
ASSI { 91 }
     ( attr rmsd >= 6.561378 and attr rmsd <= 6.641378 )
     (( attr rmsd >= 8.90345 and attr rmsd <= 8.98345 )
     and bondedto ( attr rmsd >= 126.2171 and attr rmsd <= 127.0171 ))
      3.6 3.6 1.4
      peak 91 ppm1 6.601378 ppm2 8.94345 volume 7980000 weight 1.0
REMARK dnoe: 2.769747 position 8.951737 4.416293
ASSI { 92 }
     ( attr rmsd >= 4.376293 and attr rmsd <= 4.456293 )
     (( attr rmsd >= 8.911737 and attr rmsd <= 8.991737 )
     and bondedto ( attr rmsd >= 126.2196 and attr rmsd <= 127.0196 ))
      3.0 3.0 0.5999999
      peak 92 ppm1 4.416293 ppm2 8.951737 volume 36500000 weight 1.0
REMARK dnoe: 2.672797 position 8.949018 3.973373
ASSI { 93 }
     ( attr rmsd >= 3.933373 and attr rmsd <= 4.013373 )
     (( attr rmsd >= 8.909018 and attr rmsd <= 8.989017 )
     and bondedto ( attr rmsd >= 126.2569 and attr rmsd <= 127.0569 ))
      3.0 3.0 0.5999999
      peak 93 ppm1 3.973373 ppm2 8.949018 volume 45200000 weight 1.0
REMARK dnoe: 3.002331 position 8.947143 2.131451
ASSI { 94 }
     ( attr rmsd >= 2.091451 and attr rmsd <= 2.171451 )
     (( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 )
     and bondedto ( attr rmsd >= 126.2171 and attr rmsd <= 127.0171 ))
      3.6 3.6 1.4
      peak 94 ppm1 2.131451 ppm2 8.947143 volume 22500000 weight 1.0
REMARK dnoe: 2.930849 position 8.947143 1.939461
ASSI { 95 }
     ( attr rmsd >= 1.899461 and attr rmsd <= 1.979461 )
     (( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 )
     and bondedto ( attr rmsd >= 126.1733 and attr rmsd <= 126.9733 ))
      3.0 3.0 0.5999999
      peak 95 ppm1 1.939461 ppm2 8.947143 volume 26000000 weight 1.0
REMARK dnoe: 2.62997 position 8.94944 1.510865
ASSI { 96 }
     ( attr rmsd >= 1.470865 and attr rmsd <= 1.550865 )
     (( attr rmsd >= 8.90944 and attr rmsd <= 8.98944 )
     and bondedto ( attr rmsd >= 126.2306 and attr rmsd <= 127.0306 ))
      3.0 3.0 0.5999999
      peak 96 ppm1 1.510865 ppm2 8.94944 volume 49800000 weight 1.0
REMARK dnoe: 2.674773 position 8.951737 1.22662
ASSI { 97 }
     ( attr rmsd >= 1.18662 and attr rmsd <= 1.26662 )
     (( attr rmsd >= 8.911737 and attr rmsd <= 8.991737 )
     and bondedto ( attr rmsd >= 126.2177 and attr rmsd <= 127.0177 ))
      3.0 3.0 0.5999999
      peak 97 ppm1 1.22662 ppm2 8.951737 volume 45000000 weight 1.0
REMARK dnoe: 3.398274 position 8.94944 0.7709689
ASSI { 98 }
     ( attr rmsd >= 0.7309689 and attr rmsd <= 0.8109689 )
     (( attr rmsd >= 8.90944 and attr rmsd <= 8.98944 )
     and bondedto ( attr rmsd >= 126.1907 and attr rmsd <= 126.9907 ))
      3.6 3.6 1.4
      peak 98 ppm1 0.7709689 ppm2 8.94944 volume 10700000 weight 1.0
REMARK dnoe: 3.897679 position 8.947143 0.1116524
ASSI { 99 }
     ( attr rmsd >= 0.0716524 and attr rmsd <= 0.1516524 )
     (( attr rmsd >= 8.907143 and attr rmsd <= 8.987143 )
     and bondedto ( attr rmsd >= 126.1771 and attr rmsd <= 126.9771 ))
      4.2 4.2 1.8
      peak 99 ppm1 0.1116524 ppm2 8.947143 volume 4700000 weight 1.0
REMARK dnoe: 2.81953 position 8.949898 3.815378
ASSI { 100 }
     ( attr rmsd >= 3.775378 and attr rmsd <= 3.855378 )
     (( attr rmsd >= 8.909898 and attr rmsd <= 8.989898 )
     and bondedto ( attr rmsd >= 126.2317 and attr rmsd <= 127.0317 ))
      3.0 3.0 0.5999999
      peak 100 ppm1 3.815378 ppm2 8.949898 volume 32800000 weight 1.0
REMARK dnoe: 2.828219 position 8.745446 4.376085
ASSI { 101 }
     ( attr rmsd >= 4.336085 and attr rmsd <= 4.416085 )
     (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
     and bondedto ( attr rmsd >= 118.0724 and attr rmsd <= 118.8724 ))
      3.0 3.0 0.5999999
      peak 101 ppm1 4.376085 ppm2 8.745446 volume 32200000 weight 1.0
REMARK dnoe: 2.9179 position 8.745446 3.81226
ASSI { 102 }
     ( attr rmsd >= 3.77226 and attr rmsd <= 3.85226 )
     (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
     and bondedto ( attr rmsd >= 118.091 and attr rmsd <= 118.891 ))
      3.0 3.0 0.5999999
      peak 102 ppm1 3.81226 ppm2 8.745446 volume 26699998 weight 1.0
REMARK dnoe: 3.107519 position 8.745446 2.899833
ASSI { 103 }
     ( attr rmsd >= 2.859833 and attr rmsd <= 2.939833 )
     (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
     and bondedto ( attr rmsd >= 118.0771 and attr rmsd <= 118.8771 ))
      3.6 3.6 1.4
      peak 103 ppm1 2.899833 ppm2 8.745446 volume 18300000 weight 1.0
REMARK dnoe: 3.285568 position 8.745446 2.125144
ASSI { 104 }
     ( attr rmsd >= 2.085144 and attr rmsd <= 2.165144 )
     (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
     and bondedto ( attr rmsd >= 118.0724 and attr rmsd <= 118.8724 ))
      3.6 3.6 1.4
      peak 104 ppm1 2.125144 ppm2 8.745446 volume 13100000 weight 1.0
REMARK dnoe: 3.155268 position 8.745446 1.492461
ASSI { 105 }
     ( attr rmsd >= 1.452461 and attr rmsd <= 1.532461 )
     (( attr rmsd >= 8.705446 and attr rmsd <= 8.785446 )
     and bondedto ( attr rmsd >= 118.0869 and attr rmsd <= 118.8869 ))
      3.6 3.6 1.4
      peak 105 ppm1 1.492461 ppm2 8.745446 volume 16700000 weight 1.0
REMARK dnoe: 3.142845 position 8.747626 1.23424
ASSI { 106 }
     ( attr rmsd >= 1.19424 and attr rmsd <= 1.27424 )
     (( attr rmsd >= 8.707626 and attr rmsd <= 8.787626 )
     and bondedto ( attr rmsd >= 118.0986 and attr rmsd <= 118.8986 ))
      3.6 3.6 1.4
      peak 106 ppm1 1.23424 ppm2 8.747626 volume 17100000 weight 1.0
REMARK dnoe: 3.945258 position 7.608757 8.756359
ASSI { 107 }
     ( attr rmsd >= 8.716359 and attr rmsd <= 8.796359 )
     (( attr rmsd >= 7.568757 and attr rmsd <= 7.648757 )
     and bondedto ( attr rmsd >= 113.3932 and attr rmsd <= 114.1932 ))
      4.2 4.2 1.8
      peak 107 ppm1 8.756359 ppm2 7.608757 volume 4370000 weight 1.0
REMARK dnoe: 3.781022 position 8.745657 7.596542
ASSI { 108 }
     ( attr rmsd >= 7.556542 and attr rmsd <= 7.636542 )
     (( attr rmsd >= 8.705657 and attr rmsd <= 8.785657 )
     and bondedto ( attr rmsd >= 118.0449 and attr rmsd <= 118.8449 ))
      4.2 4.2 1.8
      peak 108 ppm1 7.596542 ppm2 8.745657 volume 5640000 weight 1.0
REMARK dnoe: 3.158428 position 7.606987 4.394794
ASSI { 109 }
     ( attr rmsd >= 4.354794 and attr rmsd <= 4.434794 )
     (( attr rmsd >= 7.566987 and attr rmsd <= 7.646987 )
     and bondedto ( attr rmsd >= 113.3855 and attr rmsd <= 114.1855 ))
      3.6 3.6 1.4
      peak 109 ppm1 4.394794 ppm2 7.606987 volume 16599999 weight 1.0
REMARK dnoe: 3.219428 position 7.608886 3.790011
ASSI { 110 }
     ( attr rmsd >= 3.750011 and attr rmsd <= 3.830011 )
     (( attr rmsd >= 7.568886 and attr rmsd <= 7.648886 )
     and bondedto ( attr rmsd >= 113.3976 and attr rmsd <= 114.1976 ))
      3.6 3.6 1.4
      peak 110 ppm1 3.790011 ppm2 7.608886 volume 14800000 weight 1.0
REMARK dnoe: 3.352839 position 7.597515 3.523302
ASSI { 111 }
     ( attr rmsd >= 3.483302 and attr rmsd <= 3.563302 )
     (( attr rmsd >= 7.557515 and attr rmsd <= 7.637515 )
     and bondedto ( attr rmsd >= 113.3607 and attr rmsd <= 114.1607 ))
      3.6 3.6 1.4
      peak 111 ppm1 3.523302 ppm2 7.597515 volume 11600000 weight 1.0
REMARK dnoe: 3.543794 position 7.608886 2.899739
ASSI { 112 }
     ( attr rmsd >= 2.859739 and attr rmsd <= 2.939739 )
     (( attr rmsd >= 7.568886 and attr rmsd <= 7.648886 )
     and bondedto ( attr rmsd >= 113.4064 and attr rmsd <= 114.2064 ))
      3.6 3.6 1.4
      peak 112 ppm1 2.899739 ppm2 7.608886 volume 8320000 weight 1.0
REMARK dnoe: 2.717702 position 8.023684 4.381994
ASSI { 113 }
     ( attr rmsd >= 4.341994 and attr rmsd <= 4.421994 )
     (( attr rmsd >= 7.983684 and attr rmsd <= 8.063684 )
     and bondedto ( attr rmsd >= 114.6073 and attr rmsd <= 115.4073 ))
      3.0 3.0 0.5999999
      peak 113 ppm1 4.381994 ppm2 8.023684 volume 40900000 weight 1.0
REMARK dnoe: 3.269139 position 8.021515 3.764948
ASSI { 114 }
     ( attr rmsd >= 3.724948 and attr rmsd <= 3.804948 )
     (( attr rmsd >= 7.981515 and attr rmsd <= 8.061515 )
     and bondedto ( attr rmsd >= 114.5811 and attr rmsd <= 115.3811 ))
      3.6 3.6 1.4
      peak 114 ppm1 3.764948 ppm2 8.021515 volume 13500001 weight 1.0
REMARK dnoe: 3.438533 position 8.019346 3.529257
ASSI { 115 }
     ( attr rmsd >= 3.489257 and attr rmsd <= 3.569257 )
     (( attr rmsd >= 7.979346 and attr rmsd <= 8.059346 )
     and bondedto ( attr rmsd >= 114.5907 and attr rmsd <= 115.3907 ))
      3.6 3.6 1.4
      peak 115 ppm1 3.529257 ppm2 8.019346 volume 9970000 weight 1.0
REMARK dnoe: 3.546642 position 8.032335 2.286609
ASSI { 116 }
     ( attr rmsd >= 2.246609 and attr rmsd <= 2.326609 )
     (( attr rmsd >= 7.992335 and attr rmsd <= 8.072335 )
     and bondedto ( attr rmsd >= 114.5807 and attr rmsd <= 115.3807 ))
      3.6 3.6 1.4
      peak 116 ppm1 2.286609 ppm2 8.032335 volume 8280000 weight 1.0
REMARK dnoe: 2.710026 position 8.030178 0.7440076
ASSI { 117 }
     ( attr rmsd >= 0.7040076 and attr rmsd <= 0.7840076 )
     (( attr rmsd >= 7.990178 and attr rmsd <= 8.070178 )
     and bondedto ( attr rmsd >= 114.6055 and attr rmsd <= 115.4055 ))
      3.0 3.0 0.5999999
      peak 117 ppm1 0.7440076 ppm2 8.030178 volume 41600000 weight 1.0
REMARK dnoe: 3.051762 position 7.879756 4.349335
ASSI { 118 }
     ( attr rmsd >= 4.309335 and attr rmsd <= 4.389335 )
     (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
     and bondedto ( attr rmsd >= 110.1381 and attr rmsd <= 110.9381 ))
      3.6 3.6 1.4
      peak 118 ppm1 4.349335 ppm2 7.879756 volume 20400000 weight 1.0
REMARK dnoe: 2.87634 position 7.879756 4.047623
ASSI { 119 }
     ( attr rmsd >= 4.007623 and attr rmsd <= 4.087623 )
     (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
     and bondedto ( attr rmsd >= 110.1268 and attr rmsd <= 110.9268 ))
      3.0 3.0 0.5999999
      peak 119 ppm1 4.047623 ppm2 7.879756 volume 29100000 weight 1.0
REMARK dnoe: 2.711113 position 7.881808 3.696959
ASSI { 120 }
     ( attr rmsd >= 3.656959 and attr rmsd <= 3.736959 )
     (( attr rmsd >= 7.841808 and attr rmsd <= 7.921808 )
     and bondedto ( attr rmsd >= 110.1274 and attr rmsd <= 110.9274 ))
      3.0 3.0 0.5999999
      peak 120 ppm1 3.696959 ppm2 7.881808 volume 41500000 weight 1.0
REMARK dnoe: 3.60561 position 7.877693 2.265814
ASSI { 121 }
     ( attr rmsd >= 2.225814 and attr rmsd <= 2.305814 )
     (( attr rmsd >= 7.837693 and attr rmsd <= 7.917693 )
     and bondedto ( attr rmsd >= 110.1575 and attr rmsd <= 110.9575 ))
      4.2 4.2 1.8
      peak 121 ppm1 2.265814 ppm2 7.877693 volume 7500000 weight 1.0
REMARK dnoe: 3.548071 position 7.879756 1.935546
ASSI { 122 }
     ( attr rmsd >= 1.895546 and attr rmsd <= 1.975546 )
     (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
     and bondedto ( attr rmsd >= 110.103 and attr rmsd <= 110.903 ))
      3.6 3.6 1.4
      peak 122 ppm1 1.935546 ppm2 7.879756 volume 8260000 weight 1.0
REMARK dnoe: 3.827664 position 7.881808 1.629731
ASSI { 123 }
     ( attr rmsd >= 1.589731 and attr rmsd <= 1.669731 )
     (( attr rmsd >= 7.841808 and attr rmsd <= 7.921808 )
     and bondedto ( attr rmsd >= 110.0809 and attr rmsd <= 110.8809 ))
      4.2 4.2 1.8
      peak 123 ppm1 1.629731 ppm2 7.881808 volume 5240000 weight 1.0
REMARK dnoe: 3.029882 position 7.879756 0.7653425
ASSI { 124 }
     ( attr rmsd >= 0.7253425 and attr rmsd <= 0.8053425 )
     (( attr rmsd >= 7.839756 and attr rmsd <= 7.919756 )
     and bondedto ( attr rmsd >= 110.1323 and attr rmsd <= 110.9323 ))
      3.6 3.6 1.4
      peak 124 ppm1 0.7653425 ppm2 7.879756 volume 21300000 weight 1.0
REMARK dnoe: 2.647998 position 8.078041 4.071302
ASSI { 125 }
     ( attr rmsd >= 4.031302 and attr rmsd <= 4.111302 )
     (( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 )
     and bondedto ( attr rmsd >= 118.2908 and attr rmsd <= 119.0908 ))
      3.0 3.0 0.5999999
      peak 125 ppm1 4.071302 ppm2 8.078041 volume 47800000 weight 1.0
REMARK dnoe: 2.87634 position 8.07626 3.672412
ASSI { 126 }
     ( attr rmsd >= 3.632412 and attr rmsd <= 3.712412 )
     (( attr rmsd >= 8.03626 and attr rmsd <= 8.11626 )
     and bondedto ( attr rmsd >= 118.2892 and attr rmsd <= 119.0892 ))
      3.0 3.0 0.5999999
      peak 126 ppm1 3.672412 ppm2 8.07626 volume 29100000 weight 1.0
REMARK dnoe: 3.659612 position 8.078041 3.132336
ASSI { 127 }
     ( attr rmsd >= 3.092336 and attr rmsd <= 3.172336 )
     (( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 )
     and bondedto ( attr rmsd >= 118.3064 and attr rmsd <= 119.1064 ))
      4.2 4.2 1.8
      peak 127 ppm1 3.132336 ppm2 8.078041 volume 6860000 weight 1.0
REMARK dnoe: 2.474965 position 8.078041 1.635639
ASSI { 128 }
     ( attr rmsd >= 1.595639 and attr rmsd <= 1.675639 )
     (( attr rmsd >= 8.038041 and attr rmsd <= 8.118041 )
     and bondedto ( attr rmsd >= 118.2869 and attr rmsd <= 119.0869 ))
      2.5 2.5 0.2
      peak 128 ppm1 1.635639 ppm2 8.078041 volume 71700000 weight 1.0
REMARK dnoe: 2.812429 position 8.27574 7.302286
ASSI { 129 }
     ( attr rmsd >= 7.262286 and attr rmsd <= 7.342286 )
     (( attr rmsd >= 8.23574 and attr rmsd <= 8.31574 )
     and bondedto ( attr rmsd >= 121.6441 and attr rmsd <= 122.4441 ))
      3.0 3.0 0.5999999
      peak 129 ppm1 7.302286 ppm2 8.27574 volume 33300000 weight 1.0
REMARK dnoe: 2.329965 position 8.275587 4.137253
ASSI { 130 }
     ( attr rmsd >= 4.097253 and attr rmsd <= 4.177253 )
     (( attr rmsd >= 8.235587 and attr rmsd <= 8.315587 )
     and bondedto ( attr rmsd >= 121.6433 and attr rmsd <= 122.4433 ))
      2.5 2.5 0.2
      peak 130 ppm1 4.137253 ppm2 8.275587 volume 103000000 weight 1.0
REMARK dnoe: 2.753639 position 8.281202 2.979498
ASSI { 131 }
     ( attr rmsd >= 2.939498 and attr rmsd <= 3.019498 )
     (( attr rmsd >= 8.241202 and attr rmsd <= 8.321202 )
     and bondedto ( attr rmsd >= 121.6517 and attr rmsd <= 122.4517 ))
      3.0 3.0 0.5999999
      peak 131 ppm1 2.979498 ppm2 8.281202 volume 37800000 weight 1.0
REMARK dnoe: 2.493264 position 8.283242 1.694908
ASSI { 132 }
     ( attr rmsd >= 1.654908 and attr rmsd <= 1.734908 )
     (( attr rmsd >= 8.243242 and attr rmsd <= 8.323242 )
     and bondedto ( attr rmsd >= 121.6429 and attr rmsd <= 122.4429 ))
      2.5 2.5 0.2
      peak 132 ppm1 1.694908 ppm2 8.283242 volume 68600000 weight 1.0
REMARK dnoe: 2.754855 position 8.281202 2.813884
ASSI { 133 }
     ( attr rmsd >= 2.773884 and attr rmsd <= 2.853884 )
     (( attr rmsd >= 8.241202 and attr rmsd <= 8.321202 )
     and bondedto ( attr rmsd >= 121.6517 and attr rmsd <= 122.4517 ))
      3.0 3.0 0.5999999
      peak 133 ppm1 2.813884 ppm2 8.281202 volume 37700000 weight 1.0
REMARK dnoe: 3.234163 position 8.430734 9.089956
ASSI { 134 }
     ( attr rmsd >= 9.049956 and attr rmsd <= 9.129956 )
     (( attr rmsd >= 8.390734 and attr rmsd <= 8.470734 )
     and bondedto ( attr rmsd >= 124.3856 and attr rmsd <= 125.1856 ))
      3.6 3.6 1.4
      peak 134 ppm1 9.089956 ppm2 8.430734 volume 14399999 weight 1.0
REMARK dnoe: 3.324776 position 8.430734 7.238164
ASSI { 135 }
     ( attr rmsd >= 7.198164 and attr rmsd <= 7.278164 )
     (( attr rmsd >= 8.390734 and attr rmsd <= 8.470734 )
     and bondedto ( attr rmsd >= 124.3782 and attr rmsd <= 125.1782 ))
      3.6 3.6 1.4
      peak 135 ppm1 7.238164 ppm2 8.430734 volume 12200000 weight 1.0
REMARK dnoe: 3.537445 position 8.419973 6.906865
ASSI { 136 }
     ( attr rmsd >= 6.866865 and attr rmsd <= 6.946865 )
     (( attr rmsd >= 8.379973 and attr rmsd <= 8.459973 )
     and bondedto ( attr rmsd >= 124.3321 and attr rmsd <= 125.1321 ))
      3.6 3.6 1.4
      peak 136 ppm1 6.906865 ppm2 8.419973 volume 8410000 weight 1.0
REMARK dnoe: 3.828883 position 8.422118 6.626558
ASSI { 137 }
     ( attr rmsd >= 6.586558 and attr rmsd <= 6.666558 )
     (( attr rmsd >= 8.382118 and attr rmsd <= 8.462118 )
     and bondedto ( attr rmsd >= 124.3432 and attr rmsd <= 125.1432 ))
      4.2 4.2 1.8
      peak 137 ppm1 6.626558 ppm2 8.422118 volume 5230000 weight 1.0
REMARK dnoe: 3.697394 position 8.437204 6.127956
ASSI { 138 }
     ( attr rmsd >= 6.087956 and attr rmsd <= 6.167956 )
     (( attr rmsd >= 8.397204 and attr rmsd <= 8.477204 )
     and bondedto ( attr rmsd >= 124.3596 and attr rmsd <= 125.1596 ))
      4.2 4.2 1.8
      peak 138 ppm1 6.127956 ppm2 8.437204 volume 6450000 weight 1.0
REMARK dnoe: 2.470393 position 8.428613 4.090902
ASSI { 139 }
     ( attr rmsd >= 4.050902 and attr rmsd <= 4.130902 )
     (( attr rmsd >= 8.388613 and attr rmsd <= 8.468613 )
     and bondedto ( attr rmsd >= 124.3756 and attr rmsd <= 125.1756 ))
      2.5 2.5 0.2
      peak 139 ppm1 4.090902 ppm2 8.428613 volume 72500000 weight 1.0
REMARK dnoe: 2.912472 position 8.433489 2.989298
ASSI { 140 }
     ( attr rmsd >= 2.949298 and attr rmsd <= 3.029298 )
     (( attr rmsd >= 8.393489 and attr rmsd <= 8.473489 )
     and bondedto ( attr rmsd >= 124.4995 and attr rmsd <= 125.2995 ))
      3.0 3.0 0.5999999
      peak 140 ppm1 2.989298 ppm2 8.433489 volume 27000002 weight 1.0
REMARK dnoe: 3.241711 position 8.437733 1.7704
ASSI { 141 }
     ( attr rmsd >= 1.7304 and attr rmsd <= 1.8104 )
     (( attr rmsd >= 8.397733 and attr rmsd <= 8.477733 )
     and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 ))
      3.6 3.6 1.4
      peak 141 ppm1 1.7704 ppm2 8.437733 volume 14200000 weight 1.0
REMARK dnoe: 2.958011 position 8.430828 1.428527
ASSI { 142 }
     ( attr rmsd >= 1.388527 and attr rmsd <= 1.468527 )
     (( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 )
     and bondedto ( attr rmsd >= 124.3996 and attr rmsd <= 125.1996 ))
      3.0 3.0 0.5999999
      peak 142 ppm1 1.428527 ppm2 8.430828 volume 24600000 weight 1.0
REMARK dnoe: 2.858607 position 8.430828 1.125057
ASSI { 143 }
     ( attr rmsd >= 1.085057 and attr rmsd <= 1.165057 )
     (( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 )
     and bondedto ( attr rmsd >= 124.3795 and attr rmsd <= 125.1795 ))
      3.0 3.0 0.5999999
      peak 143 ppm1 1.125057 ppm2 8.430828 volume 30199998 weight 1.0
REMARK dnoe: 2.984899 position 8.430828 0.6770487
ASSI { 144 }
     ( attr rmsd >= 0.6370487 and attr rmsd <= 0.7170487 )
     (( attr rmsd >= 8.390828 and attr rmsd <= 8.470828 )
     and bondedto ( attr rmsd >= 124.3996 and attr rmsd <= 125.1996 ))
      3.0 3.0 0.5999999
      peak 144 ppm1 0.6770487 ppm2 8.430828 volume 23300000 weight 1.0
REMARK dnoe: 2.81953 position 8.428331 -0.0592136
ASSI { 145 }
     ( attr rmsd >= -0.0992136 and attr rmsd <= -0.0192136 )
     (( attr rmsd >= 8.388331 and attr rmsd <= 8.468331 )
     and bondedto ( attr rmsd >= 124.3815 and attr rmsd <= 125.1815 ))
      3.0 3.0 0.5999999
      peak 145 ppm1 -0.0592136 ppm2 8.428331 volume 32800000 weight 1.0
REMARK dnoe: 3.393009 position 8.444098 1.941571
ASSI { 146 }
     ( attr rmsd >= 1.901571 and attr rmsd <= 1.981571 )
     (( attr rmsd >= 8.404099 and attr rmsd <= 8.484098 )
     and bondedto ( attr rmsd >= 124.3397 and attr rmsd <= 125.1397 ))
      3.6 3.6 1.4
      peak 146 ppm1 1.941571 ppm2 8.444098 volume 10800000 weight 1.0
REMARK dnoe: 3.110358 position 8.428179 2.801435
ASSI { 147 }
     ( attr rmsd >= 2.761435 and attr rmsd <= 2.841435 )
     (( attr rmsd >= 8.388179 and attr rmsd <= 8.468179 )
     and bondedto ( attr rmsd >= 124.3795 and attr rmsd <= 125.1795 ))
      3.6 3.6 1.4
      peak 147 ppm1 2.801435 ppm2 8.428179 volume 18200000 weight 1.0
REMARK dnoe: 3.729899 position 7.819632 5.641428
ASSI { 148 }
     ( attr rmsd >= 5.601428 and attr rmsd <= 5.681428 )
     (( attr rmsd >= 7.779632 and attr rmsd <= 7.859632 )
     and bondedto ( attr rmsd >= 116.8704 and attr rmsd <= 117.6704 ))
      4.2 4.2 1.8
      peak 148 ppm1 5.641428 ppm2 7.819632 volume 6120000 weight 1.0
REMARK dnoe: 2.77356 position 7.820511 4.117606
ASSI { 149 }
     ( attr rmsd >= 4.077606 and attr rmsd <= 4.157606 )
     (( attr rmsd >= 7.780511 and attr rmsd <= 7.860511 )
     and bondedto ( attr rmsd >= 116.8476 and attr rmsd <= 117.6476 ))
      3.0 3.0 0.5999999
      peak 149 ppm1 4.117606 ppm2 7.820511 volume 36200000 weight 1.0
REMARK dnoe: 2.930849 position 7.820511 1.777199
ASSI { 150 }
     ( attr rmsd >= 1.737199 and attr rmsd <= 1.817199 )
     (( attr rmsd >= 7.780511 and attr rmsd <= 7.860511 )
     and bondedto ( attr rmsd >= 116.8749 and attr rmsd <= 117.6749 ))
      3.0 3.0 0.5999999
      peak 150 ppm1 1.777199 ppm2 7.820511 volume 26000000 weight 1.0
REMARK dnoe: 3.237922 position 7.822855 0.6255875
ASSI { 151 }
     ( attr rmsd >= 0.5855875 and attr rmsd <= 0.6655875 )
     (( attr rmsd >= 7.782855 and attr rmsd <= 7.862855 )
     and bondedto ( attr rmsd >= 116.8191 and attr rmsd <= 117.6191 ))
      3.6 3.6 1.4
      peak 151 ppm1 0.6255875 ppm2 7.822855 volume 14300001 weight 1.0
REMARK dnoe: 3.633598 position 7.827544 -0.0523911
ASSI { 152 }
     ( attr rmsd >= -0.0923911 and attr rmsd <= -0.0123911 )
     (( attr rmsd >= 7.787544 and attr rmsd <= 7.867544 )
     and bondedto ( attr rmsd >= 116.8952 and attr rmsd <= 117.6952 ))
      4.2 4.2 1.8
      peak 152 ppm1 -0.0523911 ppm2 7.827544 volume 7160000 weight 1.0
REMARK dnoe: 3.302593 position 7.818167 1.089937
ASSI { 153 }
     ( attr rmsd >= 1.049937 and attr rmsd <= 1.129937 )
     (( attr rmsd >= 7.778167 and attr rmsd <= 7.858167 )
     and bondedto ( attr rmsd >= 116.7501 and attr rmsd <= 117.5501 ))
      3.6 3.6 1.4
      peak 153 ppm1 1.089937 ppm2 7.818167 volume 12700000 weight 1.0
REMARK dnoe: 3.051762 position 9.423367 9.130751
ASSI { 154 }
     ( attr rmsd >= 9.090751 and attr rmsd <= 9.170751 )
     (( attr rmsd >= 9.383367 and attr rmsd <= 9.463367 )
     and bondedto ( attr rmsd >= 126.0759 and attr rmsd <= 126.8759 ))
      3.6 3.6 1.4
      peak 154 ppm1 9.130751 ppm2 9.423367 volume 20400000 weight 1.0
REMARK dnoe: 3.908847 position 9.41557 8.496685
ASSI { 155 }
     ( attr rmsd >= 8.456685 and attr rmsd <= 8.536685 )
     (( attr rmsd >= 9.37557 and attr rmsd <= 9.45557 )
     and bondedto ( attr rmsd >= 126.1372 and attr rmsd <= 126.9372 ))
      4.2 4.2 1.8
      peak 155 ppm1 8.496685 ppm2 9.41557 volume 4620000 weight 1.0
REMARK dnoe: 3.463892 position 9.425968 7.130177
ASSI { 156 }
     ( attr rmsd >= 7.090177 and attr rmsd <= 7.170177 )
     (( attr rmsd >= 9.385968 and attr rmsd <= 9.465968 )
     and bondedto ( attr rmsd >= 126.0573 and attr rmsd <= 126.8573 ))
      3.6 3.6 1.4
      peak 156 ppm1 7.130177 ppm2 9.425968 volume 9540000 weight 1.0
REMARK dnoe: 3.171294 position 9.416368 6.815782
ASSI { 157 }
     ( attr rmsd >= 6.775782 and attr rmsd <= 6.855782 )
     (( attr rmsd >= 9.376368 and attr rmsd <= 9.456367 )
     and bondedto ( attr rmsd >= 126.0458 and attr rmsd <= 126.8458 ))
      3.6 3.6 1.4
      peak 157 ppm1 6.815782 ppm2 9.416368 volume 16200000 weight 1.0
REMARK dnoe: 3.438533 position 9.423367 6.121954
ASSI { 158 }
     ( attr rmsd >= 6.081954 and attr rmsd <= 6.161954 )
     (( attr rmsd >= 9.383367 and attr rmsd <= 9.463367 )
     and bondedto ( attr rmsd >= 126.0569 and attr rmsd <= 126.8569 ))
      3.6 3.6 1.4
      peak 158 ppm1 6.121954 ppm2 9.423367 volume 9970000 weight 1.0
REMARK dnoe: 2.622993 position 9.417094 5.638849
ASSI { 159 }
     ( attr rmsd >= 5.598849 and attr rmsd <= 5.678849 )
     (( attr rmsd >= 9.377094 and attr rmsd <= 9.457094 )
     and bondedto ( attr rmsd >= 126.0278 and attr rmsd <= 126.8278 ))
      3.0 3.0 0.5999999
      peak 159 ppm1 5.638849 ppm2 9.417094 volume 50600000 weight 1.0
REMARK dnoe: 2.982769 position 9.418467 4.769514
ASSI { 160 }
     ( attr rmsd >= 4.729514 and attr rmsd <= 4.809514 )
     (( attr rmsd >= 9.378467 and attr rmsd <= 9.458467 )
     and bondedto ( attr rmsd >= 126.0226 and attr rmsd <= 126.8226 ))
      3.0 3.0 0.5999999
      peak 160 ppm1 4.769514 ppm2 9.418467 volume 23400000 weight 1.0
REMARK dnoe: 3.425487 position 8.501467 9.035728
ASSI { 161 }
     ( attr rmsd >= 8.995728 and attr rmsd <= 9.075728 )
     (( attr rmsd >= 8.461467 and attr rmsd <= 8.541467 )
     and bondedto ( attr rmsd >= 117.4292 and attr rmsd <= 118.2292 ))
      3.6 3.6 1.4
      peak 161 ppm1 9.035728 ppm2 8.501467 volume 10200000 weight 1.0
REMARK dnoe: 3.913094 position 8.499896 9.434221
ASSI { 162 }
     ( attr rmsd >= 9.394221 and attr rmsd <= 9.474221 )
     (( attr rmsd >= 8.459896 and attr rmsd <= 8.539896 )
     and bondedto ( attr rmsd >= 117.381 and attr rmsd <= 118.181 ))
      4.2 4.2 1.8
      peak 162 ppm1 9.434221 ppm2 8.499896 volume 4590000 weight 1.0
REMARK dnoe: 3.3433 position 8.999718 8.576772
ASSI { 163 }
     ( attr rmsd >= 8.536772 and attr rmsd <= 8.616772 )
     (( attr rmsd >= 8.959718 and attr rmsd <= 9.039718 )
     and bondedto ( attr rmsd >= 127.8853 and attr rmsd <= 128.6853 ))
      3.6 3.6 1.4
      peak 163 ppm1 8.576772 ppm2 8.999718 volume 11800000 weight 1.0
REMARK dnoe: 2.162808 position 8.500436 4.765857
ASSI { 164 }
     ( attr rmsd >= 4.725857 and attr rmsd <= 4.805857 )
     (( attr rmsd >= 8.460436 and attr rmsd <= 8.540436 )
     and bondedto ( attr rmsd >= 117.3277 and attr rmsd <= 118.1277 ))
      2.5 2.5 0.2
      peak 164 ppm1 4.765857 ppm2 8.500436 volume 161000000 weight 1.0
REMARK dnoe: 2.689929 position 8.500706 3.970982
ASSI { 165 }
     ( attr rmsd >= 3.930982 and attr rmsd <= 4.010982 )
     (( attr rmsd >= 8.460706 and attr rmsd <= 8.540706 )
     and bondedto ( attr rmsd >= 117.3402 and attr rmsd <= 118.1402 ))
      3.0 3.0 0.5999999
      peak 165 ppm1 3.970982 ppm2 8.500706 volume 43500000 weight 1.0
REMARK dnoe: 2.647998 position 8.500986 1.509412
ASSI { 166 }
     ( attr rmsd >= 1.469412 and attr rmsd <= 1.549412 )
     (( attr rmsd >= 8.460986 and attr rmsd <= 8.540986 )
     and bondedto ( attr rmsd >= 117.3359 and attr rmsd <= 118.1359 ))
      3.0 3.0 0.5999999
      peak 166 ppm1 1.509412 ppm2 8.500986 volume 47800000 weight 1.0
REMARK dnoe: 2.978541 position 8.500447 1.064991
ASSI { 167 }
     ( attr rmsd >= 1.024991 and attr rmsd <= 1.104991 )
     (( attr rmsd >= 8.460447 and attr rmsd <= 8.540447 )
     and bondedto ( attr rmsd >= 117.3396 and attr rmsd <= 118.1396 ))
      3.0 3.0 0.5999999
      peak 167 ppm1 1.064991 ppm2 8.500447 volume 23600000 weight 1.0
REMARK dnoe: 3.529102 position 8.499322 0.6816678
ASSI { 168 }
     ( attr rmsd >= 0.6416678 and attr rmsd <= 0.7216678 )
     (( attr rmsd >= 8.459322 and attr rmsd <= 8.539322 )
     and bondedto ( attr rmsd >= 117.4515 and attr rmsd <= 118.2515 ))
      3.6 3.6 1.4
      peak 168 ppm1 0.6816678 ppm2 8.499322 volume 8530000 weight 1.0
REMARK dnoe: 4.173143 position 8.501057 0.281323
ASSI { 169 }
     ( attr rmsd >= 0.241323 and attr rmsd <= 0.321323 )
     (( attr rmsd >= 8.461057 and attr rmsd <= 8.541057 )
     and bondedto ( attr rmsd >= 117.3494 and attr rmsd <= 118.1494 ))
      4.2 4.2 1.8
      peak 169 ppm1 0.281323 ppm2 8.501057 volume 3120000 weight 1.0
REMARK dnoe: 3.127785 position 8.505441 1.844157
ASSI { 170 }
     ( attr rmsd >= 1.804157 and attr rmsd <= 1.884157 )
     (( attr rmsd >= 8.465441 and attr rmsd <= 8.545441 )
     and bondedto ( attr rmsd >= 117.4492 and attr rmsd <= 118.2492 ))
      3.6 3.6 1.4
      peak 170 ppm1 1.844157 ppm2 8.505441 volume 17600000 weight 1.0
REMARK dnoe: 2.539769 position 9.010702 4.774226
ASSI { 171 }
     ( attr rmsd >= 4.734226 and attr rmsd <= 4.814226 )
     (( attr rmsd >= 8.970702 and attr rmsd <= 9.050702 )
     and bondedto ( attr rmsd >= 127.9849 and attr rmsd <= 128.7849 ))
      3.0 3.0 0.5999999
      peak 171 ppm1 4.774226 ppm2 9.010702 volume 61400004 weight 1.0
REMARK dnoe: 3.511486 position 9.013855 4.280712
ASSI { 172 }
     ( attr rmsd >= 4.240712 and attr rmsd <= 4.320712 )
     (( attr rmsd >= 8.973855 and attr rmsd <= 9.053855 )
     and bondedto ( attr rmsd >= 127.8802 and attr rmsd <= 128.6802 ))
      3.6 3.6 1.4
      peak 172 ppm1 4.280712 ppm2 9.013855 volume 8790000 weight 1.0
REMARK dnoe: 3.60162 position 9.004477 3.955649
ASSI { 173 }
     ( attr rmsd >= 3.915649 and attr rmsd <= 3.995649 )
     (( attr rmsd >= 8.964477 and attr rmsd <= 9.044477 )
     and bondedto ( attr rmsd >= 127.9072 and attr rmsd <= 128.7072 ))
      4.2 4.2 1.8
      peak 173 ppm1 3.955649 ppm2 9.004477 volume 7550000 weight 1.0
REMARK dnoe: 3.477387 position 9.01151 2.650778
ASSI { 174 }
     ( attr rmsd >= 2.610778 and attr rmsd <= 2.690778 )
     (( attr rmsd >= 8.97151 and attr rmsd <= 9.05151 )
     and bondedto ( attr rmsd >= 127.9238 and attr rmsd <= 128.7238 ))
      3.6 3.6 1.4
      peak 174 ppm1 2.650778 ppm2 9.01151 volume 9320000 weight 1.0
REMARK dnoe: 2.958011 position 9.01151 1.684896
ASSI { 175 }
     ( attr rmsd >= 1.644896 and attr rmsd <= 1.724896 )
     (( attr rmsd >= 8.97151 and attr rmsd <= 9.05151 )
     and bondedto ( attr rmsd >= 127.9148 and attr rmsd <= 128.7148 ))
      3.0 3.0 0.5999999
      peak 175 ppm1 1.684896 ppm2 9.01151 volume 24600000 weight 1.0
REMARK dnoe: 2.832634 position 9.013855 1.039436
ASSI { 176 }
     ( attr rmsd >= 0.999436 and attr rmsd <= 1.079436 )
     (( attr rmsd >= 8.973855 and attr rmsd <= 9.053855 )
     and bondedto ( attr rmsd >= 127.9468 and attr rmsd <= 128.7468 ))
      3.0 3.0 0.5999999
      peak 176 ppm1 1.039436 ppm2 9.013855 volume 31900000 weight 1.0
REMARK dnoe: 3.025166 position 9.002132 0.6261501
ASSI { 177 }
     ( attr rmsd >= 0.5861501 and attr rmsd <= 0.6661501 )
     (( attr rmsd >= 8.962132 and attr rmsd <= 9.042132 )
     and bondedto ( attr rmsd >= 127.9531 and attr rmsd <= 128.7531 ))
      3.6 3.6 1.4
      peak 177 ppm1 0.6261501 ppm2 9.002132 volume 21500000 weight 1.0
REMARK dnoe: 3.072177 position 9.009166 0.2964454
ASSI { 178 }
     ( attr rmsd >= 0.2564454 and attr rmsd <= 0.3364454 )
     (( attr rmsd >= 8.969166 and attr rmsd <= 9.049166 )
     and bondedto ( attr rmsd >= 127.9457 and attr rmsd <= 128.7457 ))
      3.6 3.6 1.4
      peak 178 ppm1 0.2964454 ppm2 9.009166 volume 19600000 weight 1.0
REMARK dnoe: 3.802678 position 7.890623 8.601929
ASSI { 179 }
     ( attr rmsd >= 8.561929 and attr rmsd <= 8.641929 )
     (( attr rmsd >= 7.850623 and attr rmsd <= 7.930623 )
     and bondedto ( attr rmsd >= 106.7239 and attr rmsd <= 107.5239 ))
      4.2 4.2 1.8
      peak 179 ppm1 8.601929 ppm2 7.890623 volume 5450000 weight 1.0
REMARK dnoe: 4.353646 position 7.888302 6.871299
ASSI { 180 }
     ( attr rmsd >= 6.831299 and attr rmsd <= 6.911299 )
     (( attr rmsd >= 7.848302 and attr rmsd <= 7.928302 )
     and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 ))
      4.2 4.2 1.8
      peak 180 ppm1 6.871299 ppm2 7.888302 volume 2420000 weight 1.0
REMARK dnoe: 4.175376 position 7.892944 6.668548
ASSI { 181 }
     ( attr rmsd >= 6.628548 and attr rmsd <= 6.708548 )
     (( attr rmsd >= 7.852944 and attr rmsd <= 7.932944 )
     and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 ))
      4.2 4.2 1.8
      peak 181 ppm1 6.668548 ppm2 7.892944 volume 3110000 weight 1.0
REMARK dnoe: 2.490248 position 7.894362 4.482103
ASSI { 182 }
     ( attr rmsd >= 4.442103 and attr rmsd <= 4.522103 )
     (( attr rmsd >= 7.854362 and attr rmsd <= 7.934362 )
     and bondedto ( attr rmsd >= 106.6642 and attr rmsd <= 107.4642 ))
      2.5 2.5 0.2
      peak 182 ppm1 4.482103 ppm2 7.894362 volume 69100000 weight 1.0
REMARK dnoe: 2.535656 position 7.894362 3.729101
ASSI { 183 }
     ( attr rmsd >= 3.689101 and attr rmsd <= 3.769101 )
     (( attr rmsd >= 7.854362 and attr rmsd <= 7.934362 )
     and bondedto ( attr rmsd >= 106.6642 and attr rmsd <= 107.4642 ))
      3.0 3.0 0.5999999
      peak 183 ppm1 3.729101 ppm2 7.894362 volume 62000000 weight 1.0
REMARK dnoe: 3.398274 position 7.896555 2.346206
ASSI { 184 }
     ( attr rmsd >= 2.306206 and attr rmsd <= 2.386206 )
     (( attr rmsd >= 7.856555 and attr rmsd <= 7.936555 )
     and bondedto ( attr rmsd >= 106.6841 and attr rmsd <= 107.4841 ))
      3.6 3.6 1.4
      peak 184 ppm1 2.346206 ppm2 7.896555 volume 10700000 weight 1.0
REMARK dnoe: 3.616952 position 7.90095 2.027637
ASSI { 185 }
     ( attr rmsd >= 1.987637 and attr rmsd <= 2.067637 )
     (( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 )
     and bondedto ( attr rmsd >= 106.6441 and attr rmsd <= 107.4441 ))
      4.2 4.2 1.8
      peak 185 ppm1 2.027637 ppm2 7.90095 volume 7360000 weight 1.0
REMARK dnoe: 3.164815 position 7.90095 1.759733
ASSI { 186 }
     ( attr rmsd >= 1.719733 and attr rmsd <= 1.799733 )
     (( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 )
     and bondedto ( attr rmsd >= 106.6241 and attr rmsd <= 107.4241 ))
      3.6 3.6 1.4
      peak 186 ppm1 1.759733 ppm2 7.90095 volume 16400000 weight 1.0
REMARK dnoe: 3.45371 position 7.905346 1.493282
ASSI { 187 }
     ( attr rmsd >= 1.453282 and attr rmsd <= 1.533282 )
     (( attr rmsd >= 7.865346 and attr rmsd <= 7.945346 )
     and bondedto ( attr rmsd >= 106.5843 and attr rmsd <= 107.3843 ))
      3.6 3.6 1.4
      peak 187 ppm1 1.493282 ppm2 7.905346 volume 9710000 weight 1.0
REMARK dnoe: 3.77768 position 7.90095 1.071907
ASSI { 188 }
     ( attr rmsd >= 1.031907 and attr rmsd <= 1.111907 )
     (( attr rmsd >= 7.86095 and attr rmsd <= 7.94095 )
     and bondedto ( attr rmsd >= 106.6241 and attr rmsd <= 107.4241 ))
      4.2 4.2 1.8
      peak 188 ppm1 1.071907 ppm2 7.90095 volume 0.567e+07 weight 1.0
REMARK dnoe: 3.540962 position 7.896555 0.6230083
ASSI { 189 }
     ( attr rmsd >= 0.5830083 and attr rmsd <= 0.6630083 )
     (( attr rmsd >= 7.856555 and attr rmsd <= 7.936555 )
     and bondedto ( attr rmsd >= 106.7239 and attr rmsd <= 107.5239 ))
      3.6 3.6 1.4
      peak 189 ppm1 0.6230083 ppm2 7.896555 volume 8360001 weight 1.0
REMARK dnoe: 3.51082 position 7.450059 4.087831
ASSI { 190 }
     ( attr rmsd >= 4.047831 and attr rmsd <= 4.127831 )
     (( attr rmsd >= 7.410059 and attr rmsd <= 7.490059 )
     and bondedto ( attr rmsd >= 122.2601 and attr rmsd <= 123.0601 ))
      3.6 3.6 1.4
      peak 190 ppm1 4.087831 ppm2 7.450059 volume 8800000 weight 1.0
REMARK dnoe: 3.032259 position 7.454982 1.429981
ASSI { 191 }
     ( attr rmsd >= 1.389981 and attr rmsd <= 1.469981 )
     (( attr rmsd >= 7.414982 and attr rmsd <= 7.494982 )
     and bondedto ( attr rmsd >= 122.2238 and attr rmsd <= 123.0238 ))
      3.6 3.6 1.4
      peak 191 ppm1 1.429981 ppm2 7.454982 volume 21200000 weight 1.0
REMARK dnoe: 3.570016 position 7.459894 1.120719
ASSI { 192 }
     ( attr rmsd >= 1.080719 and attr rmsd <= 1.160719 )
     (( attr rmsd >= 7.419894 and attr rmsd <= 7.499894 )
     and bondedto ( attr rmsd >= 122.2425 and attr rmsd <= 123.0425 ))
      3.6 3.6 1.4
      peak 192 ppm1 1.120719 ppm2 7.459894 volume 7960000 weight 1.0
REMARK dnoe: 3.357681 position 7.447597 0.743773
ASSI { 193 }
     ( attr rmsd >= 0.703773 and attr rmsd <= 0.783773 )
     (( attr rmsd >= 7.407597 and attr rmsd <= 7.487597 )
     and bondedto ( attr rmsd >= 122.166 and attr rmsd <= 122.966 ))
      3.6 3.6 1.4
      peak 193 ppm1 0.743773 ppm2 7.447597 volume 11500000 weight 1.0
REMARK dnoe: 3.491899 position 7.550321 4.413902
ASSI { 194 }
     ( attr rmsd >= 4.373902 and attr rmsd <= 4.453902 )
     (( attr rmsd >= 7.510321 and attr rmsd <= 7.590321 )
     and bondedto ( attr rmsd >= 111.6349 and attr rmsd <= 112.4349 ))
      3.6 3.6 1.4
      peak 194 ppm1 4.413902 ppm2 7.550321 volume 9090000 weight 1.0
REMARK dnoe: 3.491899 position 7.556674 3.71208
ASSI { 195 }
     ( attr rmsd >= 3.67208 and attr rmsd <= 3.75208 )
     (( attr rmsd >= 7.516674 and attr rmsd <= 7.596674 )
     and bondedto ( attr rmsd >= 111.6706 and attr rmsd <= 112.4706 ))
      3.6 3.6 1.4
      peak 195 ppm1 3.71208 ppm2 7.556674 volume 9090000 weight 1.0
REMARK dnoe: 3.553108 position 7.546792 1.469298
ASSI { 196 }
     ( attr rmsd >= 1.429298 and attr rmsd <= 1.509298 )
     (( attr rmsd >= 7.506792 and attr rmsd <= 7.586792 )
     and bondedto ( attr rmsd >= 111.6577 and attr rmsd <= 112.4577 ))
      3.6 3.6 1.4
      peak 196 ppm1 1.469298 ppm2 7.546792 volume 8190000 weight 1.0
REMARK dnoe: 3.324776 position 7.54453 2.69959
ASSI { 197 }
     ( attr rmsd >= 2.65959 and attr rmsd <= 2.73959 )
     (( attr rmsd >= 7.50453 and attr rmsd <= 7.58453 )
     and bondedto ( attr rmsd >= 111.6628 and attr rmsd <= 112.4628 ))
      3.6 3.6 1.4
      peak 197 ppm1 2.69959 ppm2 7.54453 volume 12200000 weight 1.0
REMARK dnoe: 3.576788 position 7.89244 6.721229
ASSI { 198 }
     ( attr rmsd >= 6.681229 and attr rmsd <= 6.761229 )
     (( attr rmsd >= 7.85244 and attr rmsd <= 7.93244 )
     and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
      3.6 3.6 1.4
      peak 198 ppm1 6.721229 ppm2 7.89244 volume 7870000 weight 1.0
REMARK dnoe: 2.55311 position 7.902767 4.363636
ASSI { 199 }
     ( attr rmsd >= 4.323636 and attr rmsd <= 4.403636 )
     (( attr rmsd >= 7.862767 and attr rmsd <= 7.942767 )
     and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
      3.0 3.0 0.5999999
      peak 199 ppm1 4.363636 ppm2 7.902767 volume 59500004 weight 1.0
REMARK dnoe: 3.029882 position 7.902767 3.726686
ASSI { 200 }
     ( attr rmsd >= 3.686686 and attr rmsd <= 3.766686 )
     (( attr rmsd >= 7.862767 and attr rmsd <= 7.942767 )
     and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
      3.6 3.6 1.4
      peak 200 ppm1 3.726686 ppm2 7.902767 volume 21300000 weight 1.0
REMARK dnoe: 3.127785 position 7.892991 2.865392
ASSI { 201 }
     ( attr rmsd >= 2.825392 and attr rmsd <= 2.905392 )
     (( attr rmsd >= 7.852991 and attr rmsd <= 7.932991 )
     and bondedto ( attr rmsd >= 122.622 and attr rmsd <= 123.422 ))
      3.6 3.6 1.4
      peak 201 ppm1 2.865392 ppm2 7.892991 volume 17600000 weight 1.0
REMARK dnoe: 3.124833 position 7.900329 2.506499
ASSI { 202 }
     ( attr rmsd >= 2.466499 and attr rmsd <= 2.546499 )
     (( attr rmsd >= 7.860329 and attr rmsd <= 7.940329 )
     and bondedto ( attr rmsd >= 122.6611 and attr rmsd <= 123.4611 ))
      3.6 3.6 1.4
      peak 202 ppm1 2.506499 ppm2 7.900329 volume 17700000 weight 1.0
REMARK dnoe: 2.97021 position 7.900329 1.606005
ASSI { 203 }
     ( attr rmsd >= 1.566005 and attr rmsd <= 1.646005 )
     (( attr rmsd >= 7.860329 and attr rmsd <= 7.940329 )
     and bondedto ( attr rmsd >= 122.6619 and attr rmsd <= 123.4619 ))
      3.0 3.0 0.5999999
      peak 203 ppm1 1.606005 ppm2 7.900329 volume 24000000 weight 1.0
REMARK dnoe: 3.813246 position 7.350606 6.757029
ASSI { 204 }
     ( attr rmsd >= 6.717029 and attr rmsd <= 6.797029 )
     (( attr rmsd >= 7.310606 and attr rmsd <= 7.390606 )
     and bondedto ( attr rmsd >= 121.3976 and attr rmsd <= 122.1976 ))
      4.2 4.2 1.8
      peak 204 ppm1 6.757029 ppm2 7.350606 volume 5360000 weight 1.0
REMARK dnoe: 3.000113 position 7.361941 4.356627
ASSI { 205 }
     ( attr rmsd >= 4.316627 and attr rmsd <= 4.396627 )
     (( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 )
     and bondedto ( attr rmsd >= 121.3765 and attr rmsd <= 122.1765 ))
      3.6 3.6 1.4
      peak 205 ppm1 4.356627 ppm2 7.361941 volume 22600000 weight 1.0
REMARK dnoe: 3.436811 position 7.364251 4.128226
ASSI { 206 }
     ( attr rmsd >= 4.088226 and attr rmsd <= 4.168226 )
     (( attr rmsd >= 7.324251 and attr rmsd <= 7.404251 )
     and bondedto ( attr rmsd >= 121.4097 and attr rmsd <= 122.2097 ))
      3.6 3.6 1.4
      peak 206 ppm1 4.128226 ppm2 7.364251 volume 10000000 weight 1.0
REMARK dnoe: 3.387801 position 7.361941 3.662283
ASSI { 207 }
     ( attr rmsd >= 3.622283 and attr rmsd <= 3.702283 )
     (( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 )
     and bondedto ( attr rmsd >= 121.4013 and attr rmsd <= 122.2013 ))
      3.6 3.6 1.4
      peak 207 ppm1 3.662283 ppm2 7.361941 volume 10900000 weight 1.0
REMARK dnoe: 3.814434 position 7.361941 2.854256
ASSI { 208 }
     ( attr rmsd >= 2.814256 and attr rmsd <= 2.894256 )
     (( attr rmsd >= 7.321941 and attr rmsd <= 7.401941 )
     and bondedto ( attr rmsd >= 121.3837 and attr rmsd <= 122.1837 ))
      4.2 4.2 1.8
      peak 208 ppm1 2.854256 ppm2 7.361941 volume 5350001 weight 1.0
REMARK dnoe: 3.60481 position 7.35962 2.506897
ASSI { 209 }
     ( attr rmsd >= 2.466897 and attr rmsd <= 2.546897 )
     (( attr rmsd >= 7.31962 and attr rmsd <= 7.39962 )
     and bondedto ( attr rmsd >= 121.3837 and attr rmsd <= 122.1837 ))
      4.2 4.2 1.8
      peak 209 ppm1 2.506897 ppm2 7.35962 volume 7510000 weight 1.0
REMARK dnoe: 3.449577 position 7.366572 0.907676
ASSI { 210 }
     ( attr rmsd >= 0.867676 and attr rmsd <= 0.947676 )
     (( attr rmsd >= 7.326572 and attr rmsd <= 7.406572 )
     and bondedto ( attr rmsd >= 121.4071 and attr rmsd <= 122.2071 ))
      3.6 3.6 1.4
      peak 210 ppm1 0.907676 ppm2 7.366572 volume 9780000 weight 1.0
REMARK dnoe: 2.553826 position 8.061642 4.1422
ASSI { 211 }
     ( attr rmsd >= 4.1022 and attr rmsd <= 4.1822 )
     (( attr rmsd >= 8.021642 and attr rmsd <= 8.101642 )
     and bondedto ( attr rmsd >= 125.5628 and attr rmsd <= 126.3628 ))
      3.0 3.0 0.5999999
      peak 211 ppm1 4.1422 ppm2 8.061642 volume 59400000 weight 1.0
REMARK dnoe: 2.576742 position 8.060446 3.776014
ASSI { 212 }
     ( attr rmsd >= 3.736014 and attr rmsd <= 3.816014 )
     (( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 )
     and bondedto ( attr rmsd >= 125.5491 and attr rmsd <= 126.3491 ))
      3.0 3.0 0.5999999
      peak 212 ppm1 3.776014 ppm2 8.060446 volume 56300004 weight 1.0
REMARK dnoe: 2.972278 position 8.055393 1.683115
ASSI { 213 }
     ( attr rmsd >= 1.643115 and attr rmsd <= 1.723115 )
     (( attr rmsd >= 8.015393 and attr rmsd <= 8.095393 )
     and bondedto ( attr rmsd >= 125.518 and attr rmsd <= 126.318 ))
      3.0 3.0 0.5999999
      peak 213 ppm1 1.683115 ppm2 8.055393 volume 23900000 weight 1.0
REMARK dnoe: 2.618699 position 8.062966 1.214827
ASSI { 214 }
     ( attr rmsd >= 1.174827 and attr rmsd <= 1.254827 )
     (( attr rmsd >= 8.022966 and attr rmsd <= 8.102966 )
     and bondedto ( attr rmsd >= 125.5794 and attr rmsd <= 126.3794 ))
      3.0 3.0 0.5999999
      peak 214 ppm1 1.214827 ppm2 8.062966 volume 51099996 weight 1.0
REMARK dnoe: 2.650778 position 8.062966 0.9246972
ASSI { 215 }
     ( attr rmsd >= 0.8846972 and attr rmsd <= 0.9646972 )
     (( attr rmsd >= 8.022966 and attr rmsd <= 8.102966 )
     and bondedto ( attr rmsd >= 125.572 and attr rmsd <= 126.372 ))
      3.0 3.0 0.5999999
      peak 215 ppm1 0.9246972 ppm2 8.062966 volume 47500000 weight 1.0
REMARK dnoe: 3.049276 position 8.060446 0.4544868
ASSI { 216 }
     ( attr rmsd >= 0.4144868 and attr rmsd <= 0.4944868 )
     (( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 )
     and bondedto ( attr rmsd >= 125.5395 and attr rmsd <= 126.3395 ))
      3.6 3.6 1.4
      peak 216 ppm1 0.4544868 ppm2 8.060446 volume 20500000 weight 1.0
REMARK dnoe: 2.9179 position 8.057925 0.1624808
ASSI { 217 }
     ( attr rmsd >= 0.1224808 and attr rmsd <= 0.2024808 )
     (( attr rmsd >= 8.017925 and attr rmsd <= 8.097925 )
     and bondedto ( attr rmsd >= 125.578 and attr rmsd <= 126.378 ))
      3.0 3.0 0.5999999
      peak 217 ppm1 0.1624808 ppm2 8.057925 volume 26699998 weight 1.0
REMARK dnoe: 3.257185 position 8.060446 -0.0547357
ASSI { 218 }
     ( attr rmsd >= -0.0947357 and attr rmsd <= -0.0147357 )
     (( attr rmsd >= 8.020446 and attr rmsd <= 8.100446 )
     and bondedto ( attr rmsd >= 125.578 and attr rmsd <= 126.378 ))
      3.6 3.6 1.4
      peak 218 ppm1 -0.0547357 ppm2 8.060446 volume 13800000 weight 1.0
REMARK dnoe: 3.277281 position 8.383915 4.240058
ASSI { 219 }
     ( attr rmsd >= 4.200058 and attr rmsd <= 4.280058 )
     (( attr rmsd >= 8.343915 and attr rmsd <= 8.423915 )
     and bondedto ( attr rmsd >= 127.6152 and attr rmsd <= 128.4152 ))
      3.6 3.6 1.4
      peak 219 ppm1 4.240058 ppm2 8.383915 volume 13300000 weight 1.0
REMARK dnoe: 2.857033 position 8.391148 3.74556
ASSI { 220 }
     ( attr rmsd >= 3.70556 and attr rmsd <= 3.78556 )
     (( attr rmsd >= 8.351148 and attr rmsd <= 8.431148 )
     and bondedto ( attr rmsd >= 127.6109 and attr rmsd <= 128.4109 ))
      3.0 3.0 0.5999999
      peak 220 ppm1 3.74556 ppm2 8.391148 volume 30300000 weight 1.0
REMARK dnoe: 2.873058 position 8.391148 1.728621
ASSI { 221 }
     ( attr rmsd >= 1.688621 and attr rmsd <= 1.768621 )
     (( attr rmsd >= 8.351148 and attr rmsd <= 8.431148 )
     and bondedto ( attr rmsd >= 127.6047 and attr rmsd <= 128.4047 ))
      3.0 3.0 0.5999999
      peak 221 ppm1 1.728621 ppm2 8.391148 volume 29300002 weight 1.0
REMARK dnoe: 3.074798 position 8.388733 1.352823
ASSI { 222 }
     ( attr rmsd >= 1.312823 and attr rmsd <= 1.392823 )
     (( attr rmsd >= 8.348733 and attr rmsd <= 8.428733 )
     and bondedto ( attr rmsd >= 127.5752 and attr rmsd <= 128.3752 ))
      3.6 3.6 1.4
      peak 222 ppm1 1.352823 ppm2 8.388733 volume 19500000 weight 1.0
REMARK dnoe: 3.320255 position 8.388733 0.1854806
ASSI { 223 }
     ( attr rmsd >= 0.1454806 and attr rmsd <= 0.2254806 )
     (( attr rmsd >= 8.348733 and attr rmsd <= 8.428733 )
     and bondedto ( attr rmsd >= 127.5552 and attr rmsd <= 128.3552 ))
      3.6 3.6 1.4
      peak 223 ppm1 0.1854806 ppm2 8.388733 volume 12300000 weight 1.0
REMARK dnoe: 3.03465 position 7.758324 4.254102
ASSI { 224 }
     ( attr rmsd >= 4.214102 and attr rmsd <= 4.294102 )
     (( attr rmsd >= 7.718324 and attr rmsd <= 7.798324 )
     and bondedto ( attr rmsd >= 119.5862 and attr rmsd <= 120.3862 ))
      3.6 3.6 1.4
      peak 224 ppm1 4.254102 ppm2 7.758324 volume 21100000 weight 1.0
REMARK dnoe: 3.01132 position 7.73414 1.613436
ASSI { 225 }
     ( attr rmsd >= 1.573436 and attr rmsd <= 1.653436 )
     (( attr rmsd >= 7.69414 and attr rmsd <= 7.77414 )
     and bondedto ( attr rmsd >= 119.5403 and attr rmsd <= 120.3403 ))
      3.6 3.6 1.4
      peak 225 ppm1 1.613436 ppm2 7.73414 volume 22100000 weight 1.0
REMARK dnoe: 2.98704 position 7.746238 1.066843
ASSI { 226 }
     ( attr rmsd >= 1.026843 and attr rmsd <= 1.106843 )
     (( attr rmsd >= 7.706238 and attr rmsd <= 7.786238 )
     and bondedto ( attr rmsd >= 119.6256 and attr rmsd <= 120.4256 ))
      3.0 3.0 0.5999999
      peak 226 ppm1 1.066843 ppm2 7.746238 volume 23200000 weight 1.0
REMARK dnoe: 3.362571 position 8.666015 6.878778
ASSI { 227 }
     ( attr rmsd >= 6.838778 and attr rmsd <= 6.918778 )
     (( attr rmsd >= 8.626015 and attr rmsd <= 8.706015 )
     and bondedto ( attr rmsd >= 124.36 and attr rmsd <= 125.16 ))
      3.6 3.6 1.4
      peak 227 ppm1 6.878778 ppm2 8.666015 volume 11400000 weight 1.0
REMARK dnoe: 2.523591 position 8.663166 4.722859
ASSI { 228 }
     ( attr rmsd >= 4.682859 and attr rmsd <= 4.762859 )
     (( attr rmsd >= 8.623166 and attr rmsd <= 8.703166 )
     and bondedto ( attr rmsd >= 124.3377 and attr rmsd <= 125.1377 ))
      3.0 3.0 0.5999999
      peak 228 ppm1 4.722859 ppm2 8.663166 volume 63800000 weight 1.0
REMARK dnoe: 2.691996 position 8.662698 4.253938
ASSI { 229 }
     ( attr rmsd >= 4.213938 and attr rmsd <= 4.293938 )
     (( attr rmsd >= 8.622698 and attr rmsd <= 8.702698 )
     and bondedto ( attr rmsd >= 124.3299 and attr rmsd <= 125.1299 ))
      3.0 3.0 0.5999999
      peak 229 ppm1 4.253938 ppm2 8.662698 volume 43300000 weight 1.0
REMARK dnoe: 2.685828 position 8.671583 1.536936
ASSI { 230 }
     ( attr rmsd >= 1.496936 and attr rmsd <= 1.576936 )
     (( attr rmsd >= 8.631583 and attr rmsd <= 8.711583 )
     and bondedto ( attr rmsd >= 124.3364 and attr rmsd <= 125.1364 ))
      3.0 3.0 0.5999999
      peak 230 ppm1 1.536936 ppm2 8.671583 volume 43900000 weight 1.0
REMARK dnoe: 3.004561 position 8.668113 1.069445
ASSI { 231 }
     ( attr rmsd >= 1.029445 and attr rmsd <= 1.109445 )
     (( attr rmsd >= 8.628113 and attr rmsd <= 8.708113 )
     and bondedto ( attr rmsd >= 124.3213 and attr rmsd <= 125.1213 ))
      3.6 3.6 1.4
      peak 231 ppm1 1.069445 ppm2 8.668113 volume 22400000 weight 1.0
REMARK dnoe: 3.771058 position 8.671677 0.4095664
ASSI { 232 }
     ( attr rmsd >= 0.3695664 and attr rmsd <= 0.4495664 )
     (( attr rmsd >= 8.631677 and attr rmsd <= 8.711677 )
     and bondedto ( attr rmsd >= 124.3567 and attr rmsd <= 125.1567 ))
      4.2 4.2 1.8
      peak 232 ppm1 0.4095664 ppm2 8.671677 volume 5730000 weight 1.0
REMARK dnoe: 3.253268 position 8.662592 -0.2001877
ASSI { 233 }
     ( attr rmsd >= -0.2401877 and attr rmsd <= -0.1601877 )
     (( attr rmsd >= 8.622592 and attr rmsd <= 8.702592 )
     and bondedto ( attr rmsd >= 124.319 and attr rmsd <= 125.119 ))
      3.6 3.6 1.4
      peak 233 ppm1 -0.2001877 ppm2 8.662592 volume 13900000 weight 1.0
REMARK dnoe: 2.586794 position 8.665804 1.781067
ASSI { 234 }
     ( attr rmsd >= 1.741067 and attr rmsd <= 1.821067 )
     (( attr rmsd >= 8.625804 and attr rmsd <= 8.705804 )
     and bondedto ( attr rmsd >= 124.3364 and attr rmsd <= 125.1364 ))
      3.0 3.0 0.5999999
      peak 234 ppm1 1.781067 ppm2 8.665804 volume 55000000 weight 1.0
REMARK dnoe: 3.553831 position 8.675932 0.7490947
ASSI { 235 }
     ( attr rmsd >= 0.7090947 and attr rmsd <= 0.7890947 )
     (( attr rmsd >= 8.635932 and attr rmsd <= 8.715932 )
     and bondedto ( attr rmsd >= 124.3596 and attr rmsd <= 125.1596 ))
      3.6 3.6 1.4
      peak 235 ppm1 0.7490947 ppm2 8.675932 volume 8180000 weight 1.0
REMARK dnoe: 3.684185 position 8.715964 7.162836
ASSI { 236 }
     ( attr rmsd >= 7.122836 and attr rmsd <= 7.202836 )
     (( attr rmsd >= 8.675964 and attr rmsd <= 8.755964 )
     and bondedto ( attr rmsd >= 111.0229 and attr rmsd <= 111.8229 ))
      4.2 4.2 1.8
      peak 236 ppm1 7.162836 ppm2 8.715964 volume 6590000 weight 1.0
REMARK dnoe: 2.912472 position 8.716762 4.48351
ASSI { 237 }
     ( attr rmsd >= 4.44351 and attr rmsd <= 4.52351 )
     (( attr rmsd >= 8.676762 and attr rmsd <= 8.756762 )
     and bondedto ( attr rmsd >= 111.038 and attr rmsd <= 111.838 ))
      3.0 3.0 0.5999999
      peak 237 ppm1 4.48351 ppm2 8.716762 volume 27000002 weight 1.0
REMARK dnoe: 3.145919 position 8.722575 4.092567
ASSI { 238 }
     ( attr rmsd >= 4.052567 and attr rmsd <= 4.132567 )
     (( attr rmsd >= 8.682575 and attr rmsd <= 8.762575 )
     and bondedto ( attr rmsd >= 111.0403 and attr rmsd <= 111.8403 ))
      3.6 3.6 1.4
      peak 238 ppm1 4.092567 ppm2 8.722575 volume 17000000 weight 1.0
REMARK dnoe: 3.110358 position 8.710958 3.602077
ASSI { 239 }
     ( attr rmsd >= 3.562077 and attr rmsd <= 3.642077 )
     (( attr rmsd >= 8.670958 and attr rmsd <= 8.750957 )
     and bondedto ( attr rmsd >= 111.039 and attr rmsd <= 111.839 ))
      3.6 3.6 1.4
      peak 239 ppm1 3.602077 ppm2 8.710958 volume 18200000 weight 1.0
REMARK dnoe: 3.403596 position 8.712893 2.218736
ASSI { 240 }
     ( attr rmsd >= 2.178736 and attr rmsd <= 2.258736 )
     (( attr rmsd >= 8.672893 and attr rmsd <= 8.752892 )
     and bondedto ( attr rmsd >= 111.0433 and attr rmsd <= 111.8433 ))
      3.6 3.6 1.4
      peak 240 ppm1 2.218736 ppm2 8.712893 volume 10600000 weight 1.0
REMARK dnoe: 3.635292 position 8.710958 1.912171
ASSI { 241 }
     ( attr rmsd >= 1.872171 and attr rmsd <= 1.952171 )
     (( attr rmsd >= 8.670958 and attr rmsd <= 8.750957 )
     and bondedto ( attr rmsd >= 111.0657 and attr rmsd <= 111.8657 ))
      4.2 4.2 1.8
      peak 241 ppm1 1.912171 ppm2 8.710958 volume 7140000 weight 1.0
REMARK dnoe: 3.827664 position 8.709024 1.161115
ASSI { 242 }
     ( attr rmsd >= 1.121115 and attr rmsd <= 1.201115 )
     (( attr rmsd >= 8.669024 and attr rmsd <= 8.749024 )
     and bondedto ( attr rmsd >= 111.0761 and attr rmsd <= 111.8761 ))
      4.2 4.2 1.8
      peak 242 ppm1 1.161115 ppm2 8.709024 volume 5240000 weight 1.0
REMARK dnoe: 3.403596 position 7.137843 8.708907
ASSI { 243 }
     ( attr rmsd >= 8.668907 and attr rmsd <= 8.748907 )
     (( attr rmsd >= 7.097843 and attr rmsd <= 7.177843 )
     and bondedto ( attr rmsd >= 121.1749 and attr rmsd <= 121.9749 ))
      3.6 3.6 1.4
      peak 243 ppm1 8.708907 ppm2 7.137843 volume 10600000 weight 1.0
REMARK dnoe: 3.609632 position 7.137832 8.149981
ASSI { 244 }
     ( attr rmsd >= 8.109981 and attr rmsd <= 8.189981 )
     (( attr rmsd >= 7.097832 and attr rmsd <= 7.177832 )
     and bondedto ( attr rmsd >= 121.1841 and attr rmsd <= 121.9841 ))
      4.2 4.2 1.8
      peak 244 ppm1 8.149981 ppm2 7.137832 volume 7450000 weight 1.0
REMARK dnoe: 3.554556 position 7.138359 6.858264
ASSI { 245 }
     ( attr rmsd >= 6.818264 and attr rmsd <= 6.898264 )
     (( attr rmsd >= 7.098359 and attr rmsd <= 7.178359 )
     and bondedto ( attr rmsd >= 121.1958 and attr rmsd <= 121.9958 ))
      3.6 3.6 1.4
      peak 245 ppm1 6.858264 ppm2 7.138359 volume 0.817e+07 weight 1.0
REMARK dnoe: 3.61044 position 7.141232 4.447428
ASSI { 246 }
     ( attr rmsd >= 4.407428 and attr rmsd <= 4.487428 )
     (( attr rmsd >= 7.101232 and attr rmsd <= 7.181232 )
     and bondedto ( attr rmsd >= 121.1733 and attr rmsd <= 121.9733 ))
      4.2 4.2 1.8
      peak 246 ppm1 4.447428 ppm2 7.141232 volume 7440000 weight 1.0
REMARK dnoe: 3.01132 position 7.136484 4.080586
ASSI { 247 }
     ( attr rmsd >= 4.040586 and attr rmsd <= 4.120586 )
     (( attr rmsd >= 7.096484 and attr rmsd <= 7.176484 )
     and bondedto ( attr rmsd >= 121.1673 and attr rmsd <= 121.9673 ))
      3.6 3.6 1.4
      peak 247 ppm1 4.080586 ppm2 7.136484 volume 22100000 weight 1.0
REMARK dnoe: 2.754855 position 7.138312 3.832727
ASSI { 248 }
     ( attr rmsd >= 3.792727 and attr rmsd <= 3.872727 )
     (( attr rmsd >= 7.098312 and attr rmsd <= 7.178312 )
     and bondedto ( attr rmsd >= 121.1694 and attr rmsd <= 121.9694 ))
      3.0 3.0 0.5999999
      peak 248 ppm1 3.832727 ppm2 7.138312 volume 37700000 weight 1.0
REMARK dnoe: 3.324776 position 7.138301 3.598396
ASSI { 249 }
     ( attr rmsd >= 3.558396 and attr rmsd <= 3.638396 )
     (( attr rmsd >= 7.098301 and attr rmsd <= 7.178301 )
     and bondedto ( attr rmsd >= 121.1618 and attr rmsd <= 121.9618 ))
      3.6 3.6 1.4
      peak 249 ppm1 3.598396 ppm2 7.138301 volume 12200000 weight 1.0
REMARK dnoe: 2.559604 position 7.138758 1.863312
ASSI { 250 }
     ( attr rmsd >= 1.823312 and attr rmsd <= 1.903312 )
     (( attr rmsd >= 7.098758 and attr rmsd <= 7.178758 )
     and bondedto ( attr rmsd >= 121.1745 and attr rmsd <= 121.9745 ))
      3.0 3.0 0.5999999
      peak 250 ppm1 1.863312 ppm2 7.138758 volume 58600004 weight 1.0
REMARK dnoe: 3.724845 position 7.137433 1.160037
ASSI { 251 }
     ( attr rmsd >= 1.120037 and attr rmsd <= 1.200037 )
     (( attr rmsd >= 7.097433 and attr rmsd <= 7.177433 )
     and bondedto ( attr rmsd >= 121.1394 and attr rmsd <= 121.9394 ))
      4.2 4.2 1.8
      peak 251 ppm1 1.160037 ppm2 7.137433 volume 6170000 weight 1.0
REMARK dnoe: 2.600366 position 7.138558 0.7147479
ASSI { 252 }
     ( attr rmsd >= 0.6747479 and attr rmsd <= 0.7547479 )
     (( attr rmsd >= 7.098558 and attr rmsd <= 7.178558 )
     and bondedto ( attr rmsd >= 121.1757 and attr rmsd <= 121.9757 ))
      3.0 3.0 0.5999999
      peak 252 ppm1 0.7147479 ppm2 7.138558 volume 53300000 weight 1.0
REMARK dnoe: 3.124833 position 7.138618 0.1049705
ASSI { 253 }
     ( attr rmsd >= 0.0649705 and attr rmsd <= 0.1449705 )
     (( attr rmsd >= 7.098618 and attr rmsd <= 7.178618 )
     and bondedto ( attr rmsd >= 121.1796 and attr rmsd <= 121.9796 ))
      3.6 3.6 1.4
      peak 253 ppm1 0.1049705 ppm2 7.138618 volume 17700000 weight 1.0
REMARK dnoe: 2.762231 position 8.116608 4.063073
ASSI { 254 }
     ( attr rmsd >= 4.023073 and attr rmsd <= 4.103073 )
     (( attr rmsd >= 8.076608 and attr rmsd <= 8.156608 )
     and bondedto ( attr rmsd >= 125.5628 and attr rmsd <= 126.3628 ))
      3.0 3.0 0.5999999
      peak 254 ppm1 4.063073 ppm2 8.116608 volume 37100000 weight 1.0
REMARK dnoe: 2.387841 position 8.111614 3.840511
ASSI { 255 }
     ( attr rmsd >= 3.800511 and attr rmsd <= 3.880511 )
     (( attr rmsd >= 8.071614 and attr rmsd <= 8.151614 )
     and bondedto ( attr rmsd >= 125.5491 and attr rmsd <= 126.3491 ))
      2.5 2.5 0.2
      peak 255 ppm1 3.840511 ppm2 8.111614 volume 88900000 weight 1.0
REMARK dnoe: 2.686849 position 8.111614 1.723745
ASSI { 256 }
     ( attr rmsd >= 1.683745 and attr rmsd <= 1.763745 )
     (( attr rmsd >= 8.071614 and attr rmsd <= 8.151614 )
     and bondedto ( attr rmsd >= 125.5446 and attr rmsd <= 126.3446 ))
      3.0 3.0 0.5999999
      peak 256 ppm1 1.723745 ppm2 8.111614 volume 43800000 weight 1.0
REMARK dnoe: 2.50309 position 8.119104 0.7593403
ASSI { 257 }
     ( attr rmsd >= 0.7193403 and attr rmsd <= 0.7993403 )
     (( attr rmsd >= 8.079104 and attr rmsd <= 8.159104 )
     and bondedto ( attr rmsd >= 125.5468 and attr rmsd <= 126.3468 ))
      3.0 3.0 0.5999999
      peak 257 ppm1 0.7593403 ppm2 8.119104 volume 67000000 weight 1.0
REMARK dnoe: 2.850795 position 8.121602 0.1064944
ASSI { 258 }
     ( attr rmsd >= 0.0664944 and attr rmsd <= 0.1464944 )
     (( attr rmsd >= 8.081602 and attr rmsd <= 8.161602 )
     and bondedto ( attr rmsd >= 125.5589 and attr rmsd <= 126.3589 ))
      3.0 3.0 0.5999999
      peak 258 ppm1 0.1064944 ppm2 8.121602 volume 30700002 weight 1.0
REMARK dnoe: 3.348046 position 9.234987 6.885201
ASSI { 259 }
     ( attr rmsd >= 6.845201 and attr rmsd <= 6.925201 )
     (( attr rmsd >= 9.194987 and attr rmsd <= 9.274987 )
     and bondedto ( attr rmsd >= 128.2742 and attr rmsd <= 129.0742 ))
      3.6 3.6 1.4
      peak 259 ppm1 6.885201 ppm2 9.234987 volume 11700000 weight 1.0
REMARK dnoe: 3.027518 position 9.237179 6.578637
ASSI { 260 }
     ( attr rmsd >= 6.538637 and attr rmsd <= 6.618637 )
     (( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 )
     and bondedto ( attr rmsd >= 128.2818 and attr rmsd <= 129.0818 ))
      3.6 3.6 1.4
      peak 260 ppm1 6.578637 ppm2 9.237179 volume 21400000 weight 1.0
REMARK dnoe: 4.056225 position 9.237179 8.126185
ASSI { 261 }
     ( attr rmsd >= 8.086185 and attr rmsd <= 8.166185 )
     (( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 )
     and bondedto ( attr rmsd >= 128.2266 and attr rmsd <= 129.0266 ))
      4.2 4.2 1.8
      peak 261 ppm1 8.126185 ppm2 9.237179 volume 3700000 weight 1.0
REMARK dnoe: 3.049276 position 9.237179 9.492177
ASSI { 262 }
     ( attr rmsd >= 9.452177 and attr rmsd <= 9.532177 )
     (( attr rmsd >= 9.197179 and attr rmsd <= 9.277179 )
     and bondedto ( attr rmsd >= 128.2418 and attr rmsd <= 129.0418 ))
      3.6 3.6 1.4
      peak 262 ppm1 9.492177 ppm2 9.237179 volume 20500000 weight 1.0
REMARK dnoe: 3.750611 position 9.236885 4.990482
ASSI { 263 }
     ( attr rmsd >= 4.950482 and attr rmsd <= 5.030482 )
     (( attr rmsd >= 9.196885 and attr rmsd <= 9.276885 )
     and bondedto ( attr rmsd >= 128.2318 and attr rmsd <= 129.0318 ))
      4.2 4.2 1.8
      peak 263 ppm1 4.990482 ppm2 9.236885 volume 5920000 weight 1.0
REMARK dnoe: 3.171294 position 9.229454 4.418849
ASSI { 264 }
     ( attr rmsd >= 4.378849 and attr rmsd <= 4.458849 )
     (( attr rmsd >= 9.189454 and attr rmsd <= 9.269454 )
     and bondedto ( attr rmsd >= 128.2467 and attr rmsd <= 129.0467 ))
      3.6 3.6 1.4
      peak 264 ppm1 4.418849 ppm2 9.229454 volume 16200000 weight 1.0
REMARK dnoe: 2.563998 position 9.234236 4.037471
ASSI { 265 }
     ( attr rmsd >= 3.997471 and attr rmsd <= 4.077471 )
     (( attr rmsd >= 9.194236 and attr rmsd <= 9.274236 )
     and bondedto ( attr rmsd >= 128.2449 and attr rmsd <= 129.0449 ))
      3.0 3.0 0.5999999
      peak 265 ppm1 4.037471 ppm2 9.234236 volume 58000000 weight 1.0
REMARK dnoe: 3.168043 position 9.236628 2.073284
ASSI { 266 }
     ( attr rmsd >= 2.033284 and attr rmsd <= 2.113284 )
     (( attr rmsd >= 9.196628 and attr rmsd <= 9.276628 )
     and bondedto ( attr rmsd >= 128.2342 and attr rmsd <= 129.0342 ))
      3.6 3.6 1.4
      peak 266 ppm1 2.073284 ppm2 9.236628 volume 16300000 weight 1.0
REMARK dnoe: 3.277281 position 9.226418 1.711788
ASSI { 267 }
     ( attr rmsd >= 1.671788 and attr rmsd <= 1.751788 )
     (( attr rmsd >= 9.186418 and attr rmsd <= 9.266418 )
     and bondedto ( attr rmsd >= 128.2742 and attr rmsd <= 129.0742 ))
      3.6 3.6 1.4
      peak 267 ppm1 1.711788 ppm2 9.226418 volume 13300000 weight 1.0
REMARK dnoe: 3.006802 position 9.233685 1.181605
ASSI { 268 }
     ( attr rmsd >= 1.141605 and attr rmsd <= 1.221605 )
     (( attr rmsd >= 9.193685 and attr rmsd <= 9.273685 )
     and bondedto ( attr rmsd >= 128.2394 and attr rmsd <= 129.0394 ))
      3.6 3.6 1.4
      peak 268 ppm1 1.181605 ppm2 9.233685 volume 22300000 weight 1.0
REMARK dnoe: 2.528903 position 9.23283 0.7876382
ASSI { 269 }
     ( attr rmsd >= 0.7476382 and attr rmsd <= 0.8276382 )
     (( attr rmsd >= 9.19283 and attr rmsd <= 9.27283 )
     and bondedto ( attr rmsd >= 128.2398 and attr rmsd <= 129.0398 ))
      3.0 3.0 0.5999999
      peak 269 ppm1 0.7876382 ppm2 9.23283 volume 63000000 weight 1.0
REMARK dnoe: 3.145919 position 9.041285 6.585928
ASSI { 270 }
     ( attr rmsd >= 6.545928 and attr rmsd <= 6.625928 )
     (( attr rmsd >= 9.001285 and attr rmsd <= 9.081285 )
     and bondedto ( attr rmsd >= 118.368 and attr rmsd <= 119.168 ))
      3.6 3.6 1.4
      peak 270 ppm1 6.585928 ppm2 9.041285 volume 17000000 weight 1.0
REMARK dnoe: 3.44899 position 9.028425 6.896971
ASSI { 271 }
     ( attr rmsd >= 6.856971 and attr rmsd <= 6.936971 )
     (( attr rmsd >= 8.988425 and attr rmsd <= 9.068425 )
     and bondedto ( attr rmsd >= 118.3478 and attr rmsd <= 119.1478 ))
      3.6 3.6 1.4
      peak 271 ppm1 6.896971 ppm2 9.028425 volume 9790000 weight 1.0
REMARK dnoe: 3.198175 position 9.037628 8.784962
ASSI { 272 }
     ( attr rmsd >= 8.744962 and attr rmsd <= 8.824962 )
     (( attr rmsd >= 8.997628 and attr rmsd <= 9.077628 )
     and bondedto ( attr rmsd >= 118.3879 and attr rmsd <= 119.1879 ))
      3.6 3.6 1.4
      peak 272 ppm1 8.784962 ppm2 9.037628 volume 15400000 weight 1.0
REMARK dnoe: 3.315778 position 9.039995 5.192366
ASSI { 274 }
     ( attr rmsd >= 5.152366 and attr rmsd <= 5.232366 )
     (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
     and bondedto ( attr rmsd >= 118.3539 and attr rmsd <= 119.1539 ))
      3.6 3.6 1.4
      peak 274 ppm1 5.192366 ppm2 9.039995 volume 12400000 weight 1.0
REMARK dnoe: 2.721038 position 9.037148 4.418802
ASSI { 275 }
     ( attr rmsd >= 4.378802 and attr rmsd <= 4.458802 )
     (( attr rmsd >= 8.997149 and attr rmsd <= 9.077148 )
     and bondedto ( attr rmsd >= 118.3334 and attr rmsd <= 119.1334 ))
      3.0 3.0 0.5999999
      peak 275 ppm1 4.418802 ppm2 9.037148 volume 40600000 weight 1.0
REMARK dnoe: 2.974355 position 9.039995 3.978765
ASSI { 276 }
     ( attr rmsd >= 3.938765 and attr rmsd <= 4.018765 )
     (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
     and bondedto ( attr rmsd >= 118.3252 and attr rmsd <= 119.1252 ))
      3.0 3.0 0.5999999
      peak 276 ppm1 3.978765 ppm2 9.039995 volume 23800000 weight 1.0
REMARK dnoe: 2.524911 position 9.039995 2.125356
ASSI { 277 }
     ( attr rmsd >= 2.085356 and attr rmsd <= 2.165356 )
     (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
     and bondedto ( attr rmsd >= 118.3361 and attr rmsd <= 119.1361 ))
      3.0 3.0 0.5999999
      peak 277 ppm1 2.125356 ppm2 9.039995 volume 63599996 weight 1.0
REMARK dnoe: 3.116092 position 9.039995 0.8101923
ASSI { 278 }
     ( attr rmsd >= 0.7701923 and attr rmsd <= 0.8501923 )
     (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
     and bondedto ( attr rmsd >= 118.3109 and attr rmsd <= 119.1109 ))
      3.6 3.6 1.4
      peak 278 ppm1 0.8101923 ppm2 9.039995 volume 18000000 weight 1.0
REMARK dnoe: 3.174568 position 9.039995 1.257051
ASSI { 279 }
     ( attr rmsd >= 1.217051 and attr rmsd <= 1.297051 )
     (( attr rmsd >= 8.999995 and attr rmsd <= 9.079995 )
     and bondedto ( attr rmsd >= 118.3275 and attr rmsd <= 119.1275 ))
      3.6 3.6 1.4
      peak 279 ppm1 1.257051 ppm2 9.039995 volume 16100000 weight 1.0
REMARK dnoe: 3.493824 position 9.04513 1.521087
ASSI { 280 }
     ( attr rmsd >= 1.481087 and attr rmsd <= 1.561087 )
     (( attr rmsd >= 9.00513 and attr rmsd <= 9.08513 )
     and bondedto ( attr rmsd >= 118.3416 and attr rmsd <= 119.1416 ))
      3.6 3.6 1.4
      peak 280 ppm1 1.521087 ppm2 9.04513 volume 9060000 weight 1.0
REMARK dnoe: 3.338601 position 9.260213 8.005795
ASSI { 281 }
     ( attr rmsd >= 7.965795 and attr rmsd <= 8.045794 )
     (( attr rmsd >= 9.220213 and attr rmsd <= 9.300213 )
     and bondedto ( attr rmsd >= 108.4881 and attr rmsd <= 109.2881 ))
      3.6 3.6 1.4
      peak 281 ppm1 8.005795 ppm2 9.260213 volume 11900000 weight 1.0
REMARK dnoe: 2.910678 position 9.259604 6.903278
ASSI { 282 }
     ( attr rmsd >= 6.863278 and attr rmsd <= 6.943278 )
     (( attr rmsd >= 9.219604 and attr rmsd <= 9.299604 )
     and bondedto ( attr rmsd >= 108.4912 and attr rmsd <= 109.2912 ))
      3.0 3.0 0.5999999
      peak 282 ppm1 6.903278 ppm2 9.259604 volume 27100000 weight 1.0
REMARK dnoe: 2.752427 position 9.25938 5.942742
ASSI { 283 }
     ( attr rmsd >= 5.902742 and attr rmsd <= 5.982742 )
     (( attr rmsd >= 9.21938 and attr rmsd <= 9.29938 )
     and bondedto ( attr rmsd >= 108.4898 and attr rmsd <= 109.2898 ))
      3.0 3.0 0.5999999
      peak 283 ppm1 5.942742 ppm2 9.25938 volume 37900000 weight 1.0
REMARK dnoe: 2.502468 position 9.259417 5.169296
ASSI { 284 }
     ( attr rmsd >= 5.129296 and attr rmsd <= 5.209296 )
     (( attr rmsd >= 9.219417 and attr rmsd <= 9.299417 )
     and bondedto ( attr rmsd >= 108.4947 and attr rmsd <= 109.2947 ))
      3.0 3.0 0.5999999
      peak 284 ppm1 5.169296 ppm2 9.259417 volume 67100000 weight 1.0
REMARK dnoe: 3.561124 position 9.260682 3.276569
ASSI { 285 }
     ( attr rmsd >= 3.236569 and attr rmsd <= 3.316569 )
     (( attr rmsd >= 9.220682 and attr rmsd <= 9.300682 )
     and bondedto ( attr rmsd >= 108.4859 and attr rmsd <= 109.2859 ))
      3.6 3.6 1.4
      peak 285 ppm1 3.276569 ppm2 9.260682 volume 8080001 weight 1.0
REMARK dnoe: 2.942276 position 9.260682 3.019285
ASSI { 286 }
     ( attr rmsd >= 2.979285 and attr rmsd <= 3.059285 )
     (( attr rmsd >= 9.220682 and attr rmsd <= 9.300682 )
     and bondedto ( attr rmsd >= 108.4963 and attr rmsd <= 109.2963 ))
      3.0 3.0 0.5999999
      peak 286 ppm1 3.019285 ppm2 9.260682 volume 25400000 weight 1.0
REMARK dnoe: 3.762354 position 9.251703 2.571229
ASSI { 287 }
     ( attr rmsd >= 2.531229 and attr rmsd <= 2.611229 )
     (( attr rmsd >= 9.211703 and attr rmsd <= 9.291703 )
     and bondedto ( attr rmsd >= 108.4683 and attr rmsd <= 109.2683 ))
      4.2 4.2 1.8
      peak 287 ppm1 2.571229 ppm2 9.251703 volume 0.581e+07 weight 1.0
REMARK dnoe: 2.805452 position 9.262933 2.052231
ASSI { 288 }
     ( attr rmsd >= 2.012231 and attr rmsd <= 2.092231 )
     (( attr rmsd >= 9.222933 and attr rmsd <= 9.302933 )
     and bondedto ( attr rmsd >= 108.4861 and attr rmsd <= 109.2861 ))
      3.0 3.0 0.5999999
      peak 288 ppm1 2.052231 ppm2 9.262933 volume 33800000 weight 1.0
REMARK dnoe: 3.815623 position 9.274162 1.213819
ASSI { 289 }
     ( attr rmsd >= 1.173819 and attr rmsd <= 1.253819 )
     (( attr rmsd >= 9.234162 and attr rmsd <= 9.314162 )
     and bondedto ( attr rmsd >= 108.534 and attr rmsd <= 109.334 ))
      4.2 4.2 1.8
      peak 289 ppm1 1.213819 ppm2 9.274162 volume 5340000 weight 1.0
REMARK dnoe: 3.844979 position 9.274162 0.765764
ASSI { 290 }
     ( attr rmsd >= 0.725764 and attr rmsd <= 0.805764 )
     (( attr rmsd >= 9.234162 and attr rmsd <= 9.314162 )
     and bondedto ( attr rmsd >= 108.5176 and attr rmsd <= 109.3176 ))
      4.2 4.2 1.8
      peak 290 ppm1 0.765764 ppm2 9.274162 volume 5100000 weight 1.0
REMARK dnoe: 2.921559 position 9.202 6.880583
ASSI { 291 }
     ( attr rmsd >= 6.840583 and attr rmsd <= 6.920583 )
     (( attr rmsd >= 9.162 and attr rmsd <= 9.242 )
     and bondedto ( attr rmsd >= 119.252 and attr rmsd <= 120.052 ))
      3.0 3.0 0.5999999
      peak 291 ppm1 6.880583 ppm2 9.202 volume 26499998 weight 1.0
REMARK dnoe: 3.03465 position 9.210158 6.643556
ASSI { 292 }
     ( attr rmsd >= 6.603556 and attr rmsd <= 6.683556 )
     (( attr rmsd >= 9.170158 and attr rmsd <= 9.250158 )
     and bondedto ( attr rmsd >= 119.3465 and attr rmsd <= 120.1465 ))
      3.6 3.6 1.4
      peak 292 ppm1 6.643556 ppm2 9.210158 volume 21100000 weight 1.0
REMARK dnoe: 2.719923 position 9.212152 5.87243
ASSI { 293 }
     ( attr rmsd >= 5.83243 and attr rmsd <= 5.91243 )
     (( attr rmsd >= 9.172152 and attr rmsd <= 9.252151 )
     and bondedto ( attr rmsd >= 119.2438 and attr rmsd <= 120.0438 ))
      3.0 3.0 0.5999999
      peak 293 ppm1 5.87243 ppm2 9.212152 volume 40700000 weight 1.0
REMARK dnoe: 3.549505 position 9.211647 5.404635
ASSI { 294 }
     ( attr rmsd >= 5.364635 and attr rmsd <= 5.444635 )
     (( attr rmsd >= 9.171647 and attr rmsd <= 9.251647 )
     and bondedto ( attr rmsd >= 119.2865 and attr rmsd <= 120.0865 ))
      3.6 3.6 1.4
      peak 294 ppm1 5.404635 ppm2 9.211647 volume 8240000 weight 1.0
REMARK dnoe: 3.362571 position 9.214168 4.983237
ASSI { 295 }
     ( attr rmsd >= 4.943237 and attr rmsd <= 5.023237 )
     (( attr rmsd >= 9.174168 and attr rmsd <= 9.254168 )
     and bondedto ( attr rmsd >= 119.2635 and attr rmsd <= 120.0635 ))
      3.6 3.6 1.4
      peak 295 ppm1 4.983237 ppm2 9.214168 volume 11400000 weight 1.0
REMARK dnoe: 2.772285 position 9.211753 3.011876
ASSI { 296 }
     ( attr rmsd >= 2.971876 and attr rmsd <= 3.051876 )
     (( attr rmsd >= 9.171753 and attr rmsd <= 9.251753 )
     and bondedto ( attr rmsd >= 119.2627 and attr rmsd <= 120.0627 ))
      3.0 3.0 0.5999999
      peak 296 ppm1 3.011876 ppm2 9.211753 volume 36300000 weight 1.0
REMARK dnoe: 2.936523 position 9.212315 1.88617
ASSI { 297 }
     ( attr rmsd >= 1.84617 and attr rmsd <= 1.92617 )
     (( attr rmsd >= 9.172315 and attr rmsd <= 9.252315 )
     and bondedto ( attr rmsd >= 119.2397 and attr rmsd <= 120.0397 ))
      3.0 3.0 0.5999999
      peak 297 ppm1 1.88617 ppm2 9.212315 volume 25700000 weight 1.0
REMARK dnoe: 2.703566 position 9.212128 1.534991
ASSI { 298 }
     ( attr rmsd >= 1.494991 and attr rmsd <= 1.574991 )
     (( attr rmsd >= 9.172128 and attr rmsd <= 9.252128 )
     and bondedto ( attr rmsd >= 119.2522 and attr rmsd <= 120.0522 ))
      3.0 3.0 0.5999999
      peak 298 ppm1 1.534991 ppm2 9.212128 volume 42200000 weight 1.0
REMARK dnoe: 3.226737 position 9.212808 0.9547768
ASSI { 299 }
     ( attr rmsd >= 0.9147768 and attr rmsd <= 0.9947768 )
     (( attr rmsd >= 9.172808 and attr rmsd <= 9.252808 )
     and bondedto ( attr rmsd >= 119.2346 and attr rmsd <= 120.0346 ))
      3.6 3.6 1.4
      peak 299 ppm1 0.9547768 ppm2 9.212808 volume 14600000 weight 1.0
REMARK dnoe: 3.302593 position 9.215094 0.7201643
ASSI { 300 }
     ( attr rmsd >= 0.6801643 and attr rmsd <= 0.7601643 )
     (( attr rmsd >= 9.175094 and attr rmsd <= 9.255094 )
     and bondedto ( attr rmsd >= 119.2459 and attr rmsd <= 120.0459 ))
      3.6 3.6 1.4
      peak 300 ppm1 0.7201643 ppm2 9.215094 volume 12700000 weight 1.0
REMARK dnoe: 3.059306 position 9.218341 6.876715
ASSI { 302 }
     ( attr rmsd >= 6.836715 and attr rmsd <= 6.916715 )
     (( attr rmsd >= 9.178341 and attr rmsd <= 9.258341 )
     and bondedto ( attr rmsd >= 124.9366 and attr rmsd <= 125.7366 ))
      3.6 3.6 1.4
      peak 302 ppm1 6.876715 ppm2 9.218341 volume 20100000 weight 1.0
REMARK dnoe: 3.447232 position 9.225386 5.357558
ASSI { 303 }
     ( attr rmsd >= 5.317558 and attr rmsd <= 5.397558 )
     (( attr rmsd >= 9.185386 and attr rmsd <= 9.265386 )
     and bondedto ( attr rmsd >= 124.9065 and attr rmsd <= 125.7065 ))
      3.6 3.6 1.4
      peak 303 ppm1 5.357558 ppm2 9.225386 volume 9820000 weight 1.0
REMARK dnoe: 2.706782 position 9.213687 4.98108
ASSI { 304 }
     ( attr rmsd >= 4.94108 and attr rmsd <= 5.02108 )
     (( attr rmsd >= 9.173687 and attr rmsd <= 9.253687 )
     and bondedto ( attr rmsd >= 124.9141 and attr rmsd <= 125.7141 ))
      3.0 3.0 0.5999999
      peak 304 ppm1 4.98108 ppm2 9.213687 volume 41900000 weight 1.0
REMARK dnoe: 2.991353 position 9.226452 2.007052
ASSI { 305 }
     ( attr rmsd >= 1.967052 and attr rmsd <= 2.047052 )
     (( attr rmsd >= 9.186452 and attr rmsd <= 9.266452 )
     and bondedto ( attr rmsd >= 124.8946 and attr rmsd <= 125.6946 ))
      3.0 3.0 0.5999999
      peak 305 ppm1 2.007052 ppm2 9.226452 volume 23000000 weight 1.0
REMARK dnoe: 3.03947 position 9.226452 1.515507
ASSI { 306 }
     ( attr rmsd >= 1.475507 and attr rmsd <= 1.555507 )
     (( attr rmsd >= 9.186452 and attr rmsd <= 9.266452 )
     and bondedto ( attr rmsd >= 124.9073 and attr rmsd <= 125.7073 ))
      3.6 3.6 1.4
      peak 306 ppm1 1.515507 ppm2 9.226452 volume 20900000 weight 1.0
REMARK dnoe: 2.974355 position 9.214472 1.280285
ASSI { 307 }
     ( attr rmsd >= 1.240285 and attr rmsd <= 1.320285 )
     (( attr rmsd >= 9.174472 and attr rmsd <= 9.254472 )
     and bondedto ( attr rmsd >= 124.9139 and attr rmsd <= 125.7139 ))
      3.0 3.0 0.5999999
      peak 307 ppm1 1.280285 ppm2 9.214472 volume 23800000 weight 1.0
REMARK dnoe: 3.056777 position 9.21847 0.7423899
ASSI { 308 }
     ( attr rmsd >= 0.7023899 and attr rmsd <= 0.7823899 )
     (( attr rmsd >= 9.17847 and attr rmsd <= 9.25847 )
     and bondedto ( attr rmsd >= 124.9188 and attr rmsd <= 125.7188 ))
      3.6 3.6 1.4
      peak 308 ppm1 0.7423899 ppm2 9.21847 volume 20200000 weight 1.0
REMARK dnoe: 3.110358 position 9.882264 9.206196
ASSI { 309 }
     ( attr rmsd >= 9.166196 and attr rmsd <= 9.246196 )
     (( attr rmsd >= 9.842264 and attr rmsd <= 9.922264 )
     and bondedto ( attr rmsd >= 130.1846 and attr rmsd <= 130.9846 ))
      3.6 3.6 1.4
      peak 309 ppm1 9.206196 ppm2 9.882264 volume 18200000 weight 1.0
REMARK dnoe: 2.726664 position 9.884796 5.384402
ASSI { 310 }
     ( attr rmsd >= 5.344402 and attr rmsd <= 5.424402 )
     (( attr rmsd >= 9.844796 and attr rmsd <= 9.924796 )
     and bondedto ( attr rmsd >= 130.1807 and attr rmsd <= 130.9807 ))
      3.0 3.0 0.5999999
      peak 310 ppm1 5.384402 ppm2 9.884796 volume 40100000 weight 1.0
REMARK dnoe: 3.468756 position 9.872124 4.869178
ASSI { 311 }
     ( attr rmsd >= 4.829178 and attr rmsd <= 4.909178 )
     (( attr rmsd >= 9.832124 and attr rmsd <= 9.912124 )
     and bondedto ( attr rmsd >= 130.2186 and attr rmsd <= 131.0186 ))
      3.6 3.6 1.4
      peak 311 ppm1 4.869178 ppm2 9.872124 volume 9460000 weight 1.0
REMARK dnoe: 2.984899 position 9.881467 1.909874
ASSI { 312 }
     ( attr rmsd >= 1.869874 and attr rmsd <= 1.949874 )
     (( attr rmsd >= 9.841467 and attr rmsd <= 9.921467 )
     and bondedto ( attr rmsd >= 130.1725 and attr rmsd <= 130.9725 ))
      3.0 3.0 0.5999999
      peak 312 ppm1 1.909874 ppm2 9.881467 volume 23300000 weight 1.0
REMARK dnoe: 3.281406 position 9.882991 1.630199
ASSI { 313 }
     ( attr rmsd >= 1.590199 and attr rmsd <= 1.670199 )
     (( attr rmsd >= 9.842991 and attr rmsd <= 9.922991 )
     and bondedto ( attr rmsd >= 130.2346 and attr rmsd <= 131.0346 ))
      3.6 3.6 1.4
      peak 313 ppm1 1.630199 ppm2 9.882991 volume 13200000 weight 1.0
REMARK dnoe: 2.879648 position 9.8855 1.38091
ASSI { 314 }
     ( attr rmsd >= 1.34091 and attr rmsd <= 1.42091 )
     (( attr rmsd >= 9.8455 and attr rmsd <= 9.9255 )
     and bondedto ( attr rmsd >= 130.2346 and attr rmsd <= 131.0346 ))
      3.0 3.0 0.5999999
      peak 314 ppm1 1.38091 ppm2 9.8855 volume 28900000 weight 1.0
REMARK dnoe: 3.181189 position 9.895546 0.9754548
ASSI { 315 }
     ( attr rmsd >= 0.9354548 and attr rmsd <= 1.015455 )
     (( attr rmsd >= 9.855546 and attr rmsd <= 9.935546 )
     and bondedto ( attr rmsd >= 130.243 and attr rmsd <= 131.043 ))
      3.6 3.6 1.4
      peak 315 ppm1 0.9754548 ppm2 9.895546 volume 15899999 weight 1.0
REMARK dnoe: 2.693033 position 9.882991 0.7196248
ASSI { 316 }
     ( attr rmsd >= 0.6796248 and attr rmsd <= 0.7596248 )
     (( attr rmsd >= 9.842991 and attr rmsd <= 9.922991 )
     and bondedto ( attr rmsd >= 130.1874 and attr rmsd <= 130.9874 ))
      3.0 3.0 0.5999999
      peak 316 ppm1 0.7196248 ppm2 9.882991 volume 43200000 weight 1.0
REMARK dnoe: 3.223068 position 9.083474 8.35611
ASSI { 317 }
     ( attr rmsd >= 8.31611 and attr rmsd <= 8.39611 )
     (( attr rmsd >= 9.043474 and attr rmsd <= 9.123474 )
     and bondedto ( attr rmsd >= 122.0216 and attr rmsd <= 122.8216 ))
      3.6 3.6 1.4
      peak 317 ppm1 8.35611 ppm2 9.083474 volume 14700000 weight 1.0
REMARK dnoe: 2.395995 position 9.084295 4.871475
ASSI { 318 }
     ( attr rmsd >= 4.831475 and attr rmsd <= 4.911475 )
     (( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 )
     and bondedto ( attr rmsd >= 121.9997 and attr rmsd <= 122.7997 ))
      2.5 2.5 0.2
      peak 318 ppm1 4.871475 ppm2 9.084295 volume 87100000 weight 1.0
REMARK dnoe: 2.874696 position 9.084295 3.721036
ASSI { 319 }
     ( attr rmsd >= 3.681036 and attr rmsd <= 3.761036 )
     (( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 )
     and bondedto ( attr rmsd >= 121.9874 and attr rmsd <= 122.7874 ))
      3.0 3.0 0.5999999
      peak 319 ppm1 3.721036 ppm2 9.084295 volume 29200000 weight 1.0
REMARK dnoe: 3.000113 position 9.076956 1.887062
ASSI { 320 }
     ( attr rmsd >= 1.847062 and attr rmsd <= 1.927062 )
     (( attr rmsd >= 9.036956 and attr rmsd <= 9.116956 )
     and bondedto ( attr rmsd >= 121.9751 and attr rmsd <= 122.7751 ))
      3.6 3.6 1.4
      peak 320 ppm1 1.887062 ppm2 9.076956 volume 22600000 weight 1.0
REMARK dnoe: 3.544504 position 9.084295 1.376832
ASSI { 321 }
     ( attr rmsd >= 1.336832 and attr rmsd <= 1.416832 )
     (( attr rmsd >= 9.044295 and attr rmsd <= 9.124295 )
     and bondedto ( attr rmsd >= 122.0093 and attr rmsd <= 122.8093 ))
      3.6 3.6 1.4
      peak 321 ppm1 1.376832 ppm2 9.084295 volume 0.831e+07 weight 1.0
REMARK dnoe: 2.750014 position 9.081844 0.6547999
ASSI { 322 }
     ( attr rmsd >= 0.6147999 and attr rmsd <= 0.6947999 )
     (( attr rmsd >= 9.041844 and attr rmsd <= 9.121844 )
     and bondedto ( attr rmsd >= 121.9947 and attr rmsd <= 122.7947 ))
      3.0 3.0 0.5999999
      peak 322 ppm1 0.6547999 ppm2 9.081844 volume 38100000 weight 1.0
REMARK dnoe: 3.3433 position 9.074507 0.9626541
ASSI { 323 }
     ( attr rmsd >= 0.9226541 and attr rmsd <= 1.002654 )
     (( attr rmsd >= 9.034507 and attr rmsd <= 9.114507 )
     and bondedto ( attr rmsd >= 122.0228 and attr rmsd <= 122.8228 ))
      3.6 3.6 1.4
      peak 323 ppm1 0.9626541 ppm2 9.074507 volume 11800000 weight 1.0
REMARK dnoe: 3.215817 position 8.346625 5.496844
ASSI { 324 }
     ( attr rmsd >= 5.456844 and attr rmsd <= 5.536844 )
     (( attr rmsd >= 8.306625 and attr rmsd <= 8.386625 )
     and bondedto ( attr rmsd >= 125.6934 and attr rmsd <= 126.4934 ))
      3.6 3.6 1.4
      peak 324 ppm1 5.496844 ppm2 8.346625 volume 14900000 weight 1.0
REMARK dnoe: 3.298279 position 8.346145 6.856482
ASSI { 325 }
     ( attr rmsd >= 6.816482 and attr rmsd <= 6.896482 )
     (( attr rmsd >= 8.306145 and attr rmsd <= 8.386145 )
     and bondedto ( attr rmsd >= 125.7071 and attr rmsd <= 126.5071 ))
      3.6 3.6 1.4
      peak 325 ppm1 6.856482 ppm2 8.346145 volume 12800001 weight 1.0
REMARK dnoe: 3.639553 position 8.346473 7.713719
ASSI { 326 }
     ( attr rmsd >= 7.673719 and attr rmsd <= 7.753719 )
     (( attr rmsd >= 8.306473 and attr rmsd <= 8.386473 )
     and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
      4.2 4.2 1.8
      peak 326 ppm1 7.713719 ppm2 8.346473 volume 7090000 weight 1.0
REMARK dnoe: 3.575276 position 8.343495 9.191544
ASSI { 327 }
     ( attr rmsd >= 9.151544 and attr rmsd <= 9.231544 )
     (( attr rmsd >= 8.303495 and attr rmsd <= 8.383495 )
     and bondedto ( attr rmsd >= 125.8575 and attr rmsd <= 126.6575 ))
      3.6 3.6 1.4
      peak 327 ppm1 9.191544 ppm2 8.343495 volume 0.789e+07 weight 1.0
REMARK dnoe: 2.466439 position 8.34618 4.74621
ASSI { 328 }
     ( attr rmsd >= 4.70621 and attr rmsd <= 4.78621 )
     (( attr rmsd >= 8.30618 and attr rmsd <= 8.38618 )
     and bondedto ( attr rmsd >= 125.6974 and attr rmsd <= 126.4974 ))
      2.5 2.5 0.2
      peak 328 ppm1 4.74621 ppm2 8.34618 volume 73200000 weight 1.0
REMARK dnoe: 2.982769 position 8.357211 4.289527
ASSI { 329 }
     ( attr rmsd >= 4.249527 and attr rmsd <= 4.329527 )
     (( attr rmsd >= 8.317211 and attr rmsd <= 8.397211 )
     and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
      3.0 3.0 0.5999999
      peak 329 ppm1 4.289527 ppm2 8.357211 volume 23400000 weight 1.0
REMARK dnoe: 3.037054 position 8.356015 3.715644
ASSI { 330 }
     ( attr rmsd >= 3.675644 and attr rmsd <= 3.755644 )
     (( attr rmsd >= 8.316015 and attr rmsd <= 8.396015 )
     and bondedto ( attr rmsd >= 125.6932 and attr rmsd <= 126.4932 ))
      3.6 3.6 1.4
      peak 330 ppm1 3.715644 ppm2 8.356015 volume 21000000 weight 1.0
REMARK dnoe: 2.668875 position 8.346027 1.722783
ASSI { 331 }
     ( attr rmsd >= 1.682783 and attr rmsd <= 1.762783 )
     (( attr rmsd >= 8.306027 and attr rmsd <= 8.386027 )
     and bondedto ( attr rmsd >= 125.7046 and attr rmsd <= 126.5046 ))
      3.0 3.0 0.5999999
      peak 331 ppm1 1.722783 ppm2 8.346027 volume 45600000 weight 1.0
REMARK dnoe: 2.910678 position 8.346556 1.277026
ASSI { 332 }
     ( attr rmsd >= 1.237026 and attr rmsd <= 1.317026 )
     (( attr rmsd >= 8.306556 and attr rmsd <= 8.386556 )
     and bondedto ( attr rmsd >= 125.6999 and attr rmsd <= 126.4999 ))
      3.0 3.0 0.5999999
      peak 332 ppm1 1.277026 ppm2 8.346556 volume 27100000 weight 1.0
REMARK dnoe: 2.663066 position 8.346215 0.7142558
ASSI { 333 }
     ( attr rmsd >= 0.6742558 and attr rmsd <= 0.7542558 )
     (( attr rmsd >= 8.306215 and attr rmsd <= 8.386215 )
     and bondedto ( attr rmsd >= 125.7011 and attr rmsd <= 126.5011 ))
      3.0 3.0 0.5999999
      peak 333 ppm1 0.7142558 ppm2 8.346215 volume 46200000 weight 1.0
REMARK dnoe: 3.198175 position 8.345992 0.3161626
ASSI { 334 }
     ( attr rmsd >= 0.2761626 and attr rmsd <= 0.3561626 )
     (( attr rmsd >= 8.305992 and attr rmsd <= 8.385992 )
     and bondedto ( attr rmsd >= 125.7182 and attr rmsd <= 126.5182 ))
      3.6 3.6 1.4
      peak 334 ppm1 0.3161626 ppm2 8.345992 volume 15400000 weight 1.0
REMARK dnoe: 3.387801 position 7.949423 3.537088
ASSI { 335 }
     ( attr rmsd >= 3.497088 and attr rmsd <= 3.577088 )
     (( attr rmsd >= 7.909423 and attr rmsd <= 7.989423 )
     and bondedto ( attr rmsd >= 107.3009 and attr rmsd <= 108.1009 ))
      3.6 3.6 1.4
      peak 335 ppm1 3.537088 ppm2 7.949423 volume 10900000 weight 1.0
REMARK dnoe: 3.414419 position 7.949423 4.117536
ASSI { 336 }
     ( attr rmsd >= 4.077536 and attr rmsd <= 4.157536 )
     (( attr rmsd >= 7.909423 and attr rmsd <= 7.989423 )
     and bondedto ( attr rmsd >= 107.2644 and attr rmsd <= 108.0644 ))
      3.6 3.6 1.4
      peak 336 ppm1 4.117536 ppm2 7.949423 volume 10400000 weight 1.0
REMARK dnoe: 3.061851 position 7.652833 2.965526
ASSI { 337 }
     ( attr rmsd >= 2.925526 and attr rmsd <= 3.005526 )
     (( attr rmsd >= 7.612833 and attr rmsd <= 7.692833 )
     and bondedto ( attr rmsd >= 119.8481 and attr rmsd <= 120.6481 ))
      3.6 3.6 1.4
      peak 337 ppm1 2.965526 ppm2 7.652833 volume 20000000 weight 1.0
REMARK dnoe: 3.630225 position 8.125458 5.035636
ASSI { 338 }
     ( attr rmsd >= 4.995636 and attr rmsd <= 5.075636 )
     (( attr rmsd >= 8.085458 and attr rmsd <= 8.165458 )
     and bondedto ( attr rmsd >= 121.8042 and attr rmsd <= 122.6042 ))
      4.2 4.2 1.8
      peak 338 ppm1 5.035636 ppm2 8.125458 volume 7200001 weight 1.0
REMARK dnoe: 3.436811 position 8.125458 2.992416
ASSI { 339 }
     ( attr rmsd >= 2.952416 and attr rmsd <= 3.032416 )
     (( attr rmsd >= 8.085458 and attr rmsd <= 8.165458 )
     and bondedto ( attr rmsd >= 121.8005 and attr rmsd <= 122.6005 ))
      3.6 3.6 1.4
      peak 339 ppm1 2.992416 ppm2 8.125458 volume 10000000 weight 1.0
REMARK dnoe: 3.414419 position 8.135926 2.195057
ASSI { 340 }
     ( attr rmsd >= 2.155057 and attr rmsd <= 2.235057 )
     (( attr rmsd >= 8.095926 and attr rmsd <= 8.175926 )
     and bondedto ( attr rmsd >= 121.8236 and attr rmsd <= 122.6236 ))
      3.6 3.6 1.4
      peak 340 ppm1 2.195057 ppm2 8.135926 volume 10400000 weight 1.0
REMARK dnoe: 3.3433 position 8.135926 1.771478
ASSI { 341 }
     ( attr rmsd >= 1.731478 and attr rmsd <= 1.811478 )
     (( attr rmsd >= 8.095926 and attr rmsd <= 8.175926 )
     and bondedto ( attr rmsd >= 121.7562 and attr rmsd <= 122.5562 ))
      3.6 3.6 1.4
      peak 341 ppm1 1.771478 ppm2 8.135926 volume 11800000 weight 1.0
REMARK dnoe: 2.813839 position 8.123372 4.512371
ASSI { 342 }
     ( attr rmsd >= 4.472371 and attr rmsd <= 4.552371 )
     (( attr rmsd >= 8.083372 and attr rmsd <= 8.163372 )
     and bondedto ( attr rmsd >= 121.863 and attr rmsd <= 122.663 ))
      3.0 3.0 0.5999999
      peak 342 ppm1 4.512371 ppm2 8.123372 volume 33199998 weight 1.0
REMARK dnoe: 2.736999 position 8.757426 1.913531
ASSI { 343 }
     ( attr rmsd >= 1.873531 and attr rmsd <= 1.953531 )
     (( attr rmsd >= 8.717426 and attr rmsd <= 8.797426 )
     and bondedto ( attr rmsd >= 124.5043 and attr rmsd <= 125.3043 ))
      3.0 3.0 0.5999999
      peak 343 ppm1 1.913531 ppm2 8.757426 volume 39200000 weight 1.0
REMARK dnoe: 2.896598 position 8.757426 0.8150921
ASSI { 344 }
     ( attr rmsd >= 0.7750921 and attr rmsd <= 0.8550921 )
     (( attr rmsd >= 8.717426 and attr rmsd <= 8.797426 )
     and bondedto ( attr rmsd >= 124.4967 and attr rmsd <= 125.2967 ))
      3.0 3.0 0.5999999
      peak 344 ppm1 0.8150921 ppm2 8.757426 volume 27900002 weight 1.0
REMARK dnoe: 3.627711 position 8.770286 5.160363
ASSI { 345 }
     ( attr rmsd >= 5.120363 and attr rmsd <= 5.200363 )
     (( attr rmsd >= 8.730286 and attr rmsd <= 8.810286 )
     and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
      4.2 4.2 1.8
      peak 345 ppm1 5.160363 ppm2 8.770286 volume 7230000 weight 1.0
REMARK dnoe: 2.538393 position 8.767543 4.699695
ASSI { 346 }
     ( attr rmsd >= 4.659695 and attr rmsd <= 4.739695 )
     (( attr rmsd >= 8.727543 and attr rmsd <= 8.807543 )
     and bondedto ( attr rmsd >= 125.6866 and attr rmsd <= 126.4866 ))
      3.0 3.0 0.5999999
      peak 346 ppm1 4.699695 ppm2 8.767543 volume 61600000 weight 1.0
REMARK dnoe: 3.237922 position 8.770286 2.036851
ASSI { 347 }
     ( attr rmsd >= 1.996851 and attr rmsd <= 2.076851 )
     (( attr rmsd >= 8.730286 and attr rmsd <= 8.810286 )
     and bondedto ( attr rmsd >= 125.7177 and attr rmsd <= 126.5177 ))
      3.6 3.6 1.4
      peak 347 ppm1 2.036851 ppm2 8.770286 volume 14300001 weight 1.0
REMARK dnoe: 2.916083 position 8.772537 1.712538
ASSI { 348 }
     ( attr rmsd >= 1.672538 and attr rmsd <= 1.752538 )
     (( attr rmsd >= 8.732537 and attr rmsd <= 8.812537 )
     and bondedto ( attr rmsd >= 125.6739 and attr rmsd <= 126.4739 ))
      3.0 3.0 0.5999999
      peak 348 ppm1 1.712538 ppm2 8.772537 volume 26800000 weight 1.0
REMARK dnoe: 3.127785 position 8.759045 1.292125
ASSI { 349 }
     ( attr rmsd >= 1.252125 and attr rmsd <= 1.332125 )
     (( attr rmsd >= 8.719045 and attr rmsd <= 8.799045 )
     and bondedto ( attr rmsd >= 125.6977 and attr rmsd <= 126.4977 ))
      3.6 3.6 1.4
      peak 349 ppm1 1.292125 ppm2 8.759045 volume 17600000 weight 1.0
REMARK dnoe: 3.709962 position 8.757719 8.039158
ASSI { 350 }
     ( attr rmsd >= 7.999158 and attr rmsd <= 8.079158 )
     (( attr rmsd >= 8.717719 and attr rmsd <= 8.797719 )
     and bondedto ( attr rmsd >= 125.7577 and attr rmsd <= 126.5577 ))
      4.2 4.2 1.8
      peak 350 ppm1 8.039158 ppm2 8.757719 volume 6320001 weight 1.0
REMARK dnoe: 3.133748 position 8.007483 9.249569
ASSI { 351 }
     ( attr rmsd >= 9.209569 and attr rmsd <= 9.289569 )
     (( attr rmsd >= 7.967483 and attr rmsd <= 8.047482 )
     and bondedto ( attr rmsd >= 118.6473 and attr rmsd <= 119.4473 ))
      3.6 3.6 1.4
      peak 351 ppm1 9.249569 ppm2 8.007483 volume 17400000 weight 1.0
REMARK dnoe: 3.387801 position 8.014717 8.618668
ASSI { 352 }
     ( attr rmsd >= 8.578668 and attr rmsd <= 8.658668 )
     (( attr rmsd >= 7.974717 and attr rmsd <= 8.054717 )
     and bondedto ( attr rmsd >= 118.6473 and attr rmsd <= 119.4473 ))
      3.6 3.6 1.4
      peak 352 ppm1 8.618668 ppm2 8.014717 volume 10900000 weight 1.0
REMARK dnoe: 2.88466 position 8.007332 6.90438
ASSI { 353 }
     ( attr rmsd >= 6.86438 and attr rmsd <= 6.94438 )
     (( attr rmsd >= 7.967332 and attr rmsd <= 8.047332 )
     and bondedto ( attr rmsd >= 118.6334 and attr rmsd <= 119.4334 ))
      3.0 3.0 0.5999999
      peak 353 ppm1 6.90438 ppm2 8.007332 volume 28600002 weight 1.0
REMARK dnoe: 3.431116 position 8.01256 8.777671
ASSI { 354 }
     ( attr rmsd >= 8.737671 and attr rmsd <= 8.817671 )
     (( attr rmsd >= 7.97256 and attr rmsd <= 8.05256 )
     and bondedto ( attr rmsd >= 118.5877 and attr rmsd <= 119.3877 ))
      3.6 3.6 1.4
      peak 354 ppm1 8.777671 ppm2 8.01256 volume 10100000 weight 1.0
REMARK dnoe: 2.411469 position 8.007472 5.155111
ASSI { 355 }
     ( attr rmsd >= 5.115111 and attr rmsd <= 5.195111 )
     (( attr rmsd >= 7.967472 and attr rmsd <= 8.047472 )
     and bondedto ( attr rmsd >= 118.6475 and attr rmsd <= 119.4475 ))
      2.5 2.5 0.2
      peak 355 ppm1 5.155111 ppm2 8.007472 volume 83800000 weight 1.0
REMARK dnoe: 2.910678 position 8.005527 3.197864
ASSI { 356 }
     ( attr rmsd >= 3.157864 and attr rmsd <= 3.237864 )
     (( attr rmsd >= 7.965527 and attr rmsd <= 8.045527 )
     and bondedto ( attr rmsd >= 118.6398 and attr rmsd <= 119.4398 ))
      3.0 3.0 0.5999999
      peak 356 ppm1 3.197864 ppm2 8.005527 volume 27100000 weight 1.0
REMARK dnoe: 2.932732 position 8.009559 2.027333
ASSI { 357 }
     ( attr rmsd >= 1.987333 and attr rmsd <= 2.067333 )
     (( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 )
     and bondedto ( attr rmsd >= 118.6309 and attr rmsd <= 119.4309 ))
      3.0 3.0 0.5999999
      peak 357 ppm1 2.027333 ppm2 8.009559 volume 25900000 weight 1.0
REMARK dnoe: 2.767226 position 8.009559 1.749042
ASSI { 358 }
     ( attr rmsd >= 1.709042 and attr rmsd <= 1.789042 )
     (( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 )
     and bondedto ( attr rmsd >= 118.6199 and attr rmsd <= 119.4199 ))
      3.0 3.0 0.5999999
      peak 358 ppm1 1.749042 ppm2 8.009559 volume 36700000 weight 1.0
REMARK dnoe: 3.041901 position 8.009559 1.51886
ASSI { 359 }
     ( attr rmsd >= 1.47886 and attr rmsd <= 1.55886 )
     (( attr rmsd >= 7.969559 and attr rmsd <= 8.049559 )
     and bondedto ( attr rmsd >= 118.6313 and attr rmsd <= 119.4313 ))
      3.6 3.6 1.4
      peak 359 ppm1 1.51886 ppm2 8.009559 volume 20800000 weight 1.0
REMARK dnoe: 3.561124 position 8.006101 1.3121
ASSI { 360 }
     ( attr rmsd >= 1.2721 and attr rmsd <= 1.3521 )
     (( attr rmsd >= 7.966101 and attr rmsd <= 8.046101 )
     and bondedto ( attr rmsd >= 118.6676 and attr rmsd <= 119.4676 ))
      3.6 3.6 1.4
      peak 360 ppm1 1.3121 ppm2 8.006101 volume 8080001 weight 1.0
REMARK dnoe: 3.906034 position 8.011293 0.7262831
ASSI { 361 }
     ( attr rmsd >= 0.6862831 and attr rmsd <= 0.7662831 )
     (( attr rmsd >= 7.971293 and attr rmsd <= 8.051293 )
     and bondedto ( attr rmsd >= 118.6676 and attr rmsd <= 119.4676 ))
      4.2 4.2 1.8
      peak 361 ppm1 0.7262831 ppm2 8.011293 volume 4640000 weight 1.0
REMARK dnoe: 4.034705 position 8.569153 8.004436
ASSI { 362 }
     ( attr rmsd >= 7.964436 and attr rmsd <= 8.044436 )
     (( attr rmsd >= 8.529153 and attr rmsd <= 8.609153 )
     and bondedto ( attr rmsd >= 119.7483 and attr rmsd <= 120.5483 ))
      4.2 4.2 1.8
      peak 362 ppm1 8.004436 ppm2 8.569153 volume 3820000 weight 1.0
REMARK dnoe: 3.187908 position 8.578741 6.918681
ASSI { 363 }
     ( attr rmsd >= 6.878681 and attr rmsd <= 6.958681 )
     (( attr rmsd >= 8.538741 and attr rmsd <= 8.618741 )
     and bondedto ( attr rmsd >= 119.7862 and attr rmsd <= 120.5862 ))
      3.6 3.6 1.4
      peak 363 ppm1 6.918681 ppm2 8.578741 volume 15700001 weight 1.0
REMARK dnoe: 3.174568 position 8.582317 5.992984
ASSI { 364 }
     ( attr rmsd >= 5.952984 and attr rmsd <= 6.032984 )
     (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
     and bondedto ( attr rmsd >= 119.7889 and attr rmsd <= 120.5889 ))
      3.6 3.6 1.4
      peak 364 ppm1 5.992984 ppm2 8.582317 volume 16100000 weight 1.0
REMARK dnoe: 4.082386 position 8.582317 9.478157
ASSI { 365 }
     ( attr rmsd >= 9.438157 and attr rmsd <= 9.518157 )
     (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
     and bondedto ( attr rmsd >= 119.8145 and attr rmsd <= 120.6145 ))
      4.2 4.2 1.8
      peak 365 ppm1 9.478157 ppm2 8.582317 volume 3560000 weight 1.0
REMARK dnoe: 2.509372 position 8.582317 4.939161
ASSI { 366 }
     ( attr rmsd >= 4.899161 and attr rmsd <= 4.979161 )
     (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
     and bondedto ( attr rmsd >= 119.7858 and attr rmsd <= 120.5858 ))
      3.0 3.0 0.5999999
      peak 366 ppm1 4.939161 ppm2 8.582317 volume 66000004 weight 1.0
REMARK dnoe: 3.333948 position 8.582317 5.19192
ASSI { 367 }
     ( attr rmsd >= 5.15192 and attr rmsd <= 5.23192 )
     (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
     and bondedto ( attr rmsd >= 119.7985 and attr rmsd <= 120.5985 ))
      3.6 3.6 1.4
      peak 367 ppm1 5.19192 ppm2 8.582317 volume 12000000 weight 1.0
REMARK dnoe: 3.191304 position 8.570536 4.626782
ASSI { 368 }
     ( attr rmsd >= 4.586782 and attr rmsd <= 4.666782 )
     (( attr rmsd >= 8.530536 and attr rmsd <= 8.610536 )
     and bondedto ( attr rmsd >= 119.8459 and attr rmsd <= 120.6459 ))
      3.6 3.6 1.4
      peak 368 ppm1 4.626782 ppm2 8.570536 volume 15600000 weight 1.0
REMARK dnoe: 3.443733 position 8.582317 3.795333
ASSI { 369 }
     ( attr rmsd >= 3.755333 and attr rmsd <= 3.835333 )
     (( attr rmsd >= 8.542317 and attr rmsd <= 8.622317 )
     and bondedto ( attr rmsd >= 119.8659 and attr rmsd <= 120.6659 ))
      3.6 3.6 1.4
      peak 369 ppm1 3.795333 ppm2 8.582317 volume 9880000 weight 1.0
REMARK dnoe: 2.625594 position 8.580652 3.296473
ASSI { 370 }
     ( attr rmsd >= 3.256473 and attr rmsd <= 3.336473 )
     (( attr rmsd >= 8.540652 and attr rmsd <= 8.620652 )
     and bondedto ( attr rmsd >= 119.786 and attr rmsd <= 120.586 ))
      3.0 3.0 0.5999999
      peak 370 ppm1 3.296473 ppm2 8.580652 volume 50300004 weight 1.0
REMARK dnoe: 2.598743 position 8.580359 3.142628
ASSI { 371 }
     ( attr rmsd >= 3.102628 and attr rmsd <= 3.182628 )
     (( attr rmsd >= 8.540359 and attr rmsd <= 8.620359 )
     and bondedto ( attr rmsd >= 119.8059 and attr rmsd <= 120.6059 ))
      3.0 3.0 0.5999999
      peak 371 ppm1 3.142628 ppm2 8.580359 volume 53500004 weight 1.0
REMARK dnoe: 2.5677 position 8.580688 2.542158
ASSI { 372 }
     ( attr rmsd >= 2.502158 and attr rmsd <= 2.582158 )
     (( attr rmsd >= 8.540689 and attr rmsd <= 8.620688 )
     and bondedto ( attr rmsd >= 119.7827 and attr rmsd <= 120.5827 ))
      3.0 3.0 0.5999999
      peak 372 ppm1 2.542158 ppm2 8.580688 volume 57500000 weight 1.0
REMARK dnoe: 3.000113 position 9.485565 9.229383
ASSI { 373 }
     ( attr rmsd >= 9.189384 and attr rmsd <= 9.269383 )
     (( attr rmsd >= 9.445565 and attr rmsd <= 9.525565 )
     and bondedto ( attr rmsd >= 116.3323 and attr rmsd <= 117.1323 ))
      3.6 3.6 1.4
      peak 373 ppm1 9.229383 ppm2 9.485565 volume 22600000 weight 1.0
REMARK dnoe: 3.468146 position 9.48403 8.617637
ASSI { 374 }
     ( attr rmsd >= 8.577637 and attr rmsd <= 8.657637 )
     (( attr rmsd >= 9.44403 and attr rmsd <= 9.52403 )
     and bondedto ( attr rmsd >= 116.4161 and attr rmsd <= 117.2161 ))
      3.6 3.6 1.4
      peak 374 ppm1 8.617637 ppm2 9.48403 volume 9470000 weight 1.0
REMARK dnoe: 2.791852 position 9.486433 6.892985
ASSI { 375 }
     ( attr rmsd >= 6.852985 and attr rmsd <= 6.932985 )
     (( attr rmsd >= 9.446433 and attr rmsd <= 9.526433 )
     and bondedto ( attr rmsd >= 116.3312 and attr rmsd <= 117.1312 ))
      3.0 3.0 0.5999999
      peak 375 ppm1 6.892985 ppm2 9.486433 volume 34800000 weight 1.0
REMARK dnoe: 2.606928 position 9.484697 5.991085
ASSI { 376 }
     ( attr rmsd >= 5.951085 and attr rmsd <= 6.031085 )
     (( attr rmsd >= 9.444697 and attr rmsd <= 9.524697 )
     and bondedto ( attr rmsd >= 116.337 and attr rmsd <= 117.137 ))
      3.0 3.0 0.5999999
      peak 376 ppm1 5.991085 ppm2 9.484697 volume 52499996 weight 1.0
REMARK dnoe: 3.03465 position 9.486433 5.263099
ASSI { 377 }
     ( attr rmsd >= 5.223099 and attr rmsd <= 5.303099 )
     (( attr rmsd >= 9.446433 and attr rmsd <= 9.526433 )
     and bondedto ( attr rmsd >= 116.3382 and attr rmsd <= 117.1382 ))
      3.6 3.6 1.4
      peak 377 ppm1 5.263099 ppm2 9.486433 volume 21100000 weight 1.0
REMARK dnoe: 3.602416 position 9.490969 4.030133
ASSI { 378 }
     ( attr rmsd >= 3.990133 and attr rmsd <= 4.070133 )
     (( attr rmsd >= 9.450969 and attr rmsd <= 9.530969 )
     and bondedto ( attr rmsd >= 116.3706 and attr rmsd <= 117.1706 ))
      4.2 4.2 1.8
      peak 378 ppm1 4.030133 ppm2 9.490969 volume 7540000 weight 1.0
REMARK dnoe: 3.16161 position 9.486175 3.29727
ASSI { 379 }
     ( attr rmsd >= 3.25727 and attr rmsd <= 3.33727 )
     (( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 )
     and bondedto ( attr rmsd >= 116.331 and attr rmsd <= 117.131 ))
      3.6 3.6 1.4
      peak 379 ppm1 3.29727 ppm2 9.486175 volume 16500001 weight 1.0
REMARK dnoe: 2.801324 position 9.486175 2.548652
ASSI { 380 }
     ( attr rmsd >= 2.508652 and attr rmsd <= 2.588652 )
     (( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 )
     and bondedto ( attr rmsd >= 116.3323 and attr rmsd <= 117.1323 ))
      3.0 3.0 0.5999999
      peak 380 ppm1 2.548652 ppm2 9.486175 volume 34100000 weight 1.0
REMARK dnoe: 3.477387 position 9.488566 2.063742
ASSI { 381 }
     ( attr rmsd >= 2.023742 and attr rmsd <= 2.103742 )
     (( attr rmsd >= 9.448566 and attr rmsd <= 9.528566 )
     and bondedto ( attr rmsd >= 116.3507 and attr rmsd <= 117.1507 ))
      3.6 3.6 1.4
      peak 381 ppm1 2.063742 ppm2 9.488566 volume 9320000 weight 1.0
REMARK dnoe: 3.437958 position 9.493361 1.18885
ASSI { 382 }
     ( attr rmsd >= 1.14885 and attr rmsd <= 1.22885 )
     (( attr rmsd >= 9.453362 and attr rmsd <= 9.533361 )
     and bondedto ( attr rmsd >= 116.3112 and attr rmsd <= 117.1112 ))
      3.6 3.6 1.4
      peak 382 ppm1 1.18885 ppm2 9.493361 volume 9980000 weight 1.0
REMARK dnoe: 2.912472 position 9.486175 0.7718835
ASSI { 383 }
     ( attr rmsd >= 0.7318835 and attr rmsd <= 0.8118835 )
     (( attr rmsd >= 9.446175 and attr rmsd <= 9.526175 )
     and bondedto ( attr rmsd >= 116.3403 and attr rmsd <= 117.1403 ))
      3.0 3.0 0.5999999
      peak 383 ppm1 0.7718835 ppm2 9.486175 volume 27000002 weight 1.0
REMARK dnoe: 3.548071 position 8.628093 9.482681
ASSI { 384 }
     ( attr rmsd >= 9.442681 and attr rmsd <= 9.522681 )
     (( attr rmsd >= 8.588093 and attr rmsd <= 8.668093 )
     and bondedto ( attr rmsd >= 110.2491 and attr rmsd <= 111.0491 ))
      3.6 3.6 1.4
      peak 384 ppm1 9.482681 ppm2 8.628093 volume 8260000 weight 1.0
REMARK dnoe: 3.074798 position 8.637963 6.888343
ASSI { 385 }
     ( attr rmsd >= 6.848343 and attr rmsd <= 6.928343 )
     (( attr rmsd >= 8.597963 and attr rmsd <= 8.677963 )
     and bondedto ( attr rmsd >= 110.1993 and attr rmsd <= 110.9993 ))
      3.6 3.6 1.4
      peak 385 ppm1 6.888343 ppm2 8.637963 volume 19500000 weight 1.0
REMARK dnoe: 2.691996 position 8.635243 5.299344
ASSI { 386 }
     ( attr rmsd >= 5.259344 and attr rmsd <= 5.339344 )
     (( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 )
     and bondedto ( attr rmsd >= 110.2213 and attr rmsd <= 111.0213 ))
      3.0 3.0 0.5999999
      peak 386 ppm1 5.299344 ppm2 8.635243 volume 43300000 weight 1.0
REMARK dnoe: 3.403596 position 8.635243 5.020655
ASSI { 387 }
     ( attr rmsd >= 4.980655 and attr rmsd <= 5.060655 )
     (( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 )
     and bondedto ( attr rmsd >= 110.2057 and attr rmsd <= 111.0057 ))
      3.6 3.6 1.4
      peak 387 ppm1 5.020655 ppm2 8.635243 volume 10600000 weight 1.0
REMARK dnoe: 3.531868 position 8.635243 3.935275
ASSI { 389 }
     ( attr rmsd >= 3.895275 and attr rmsd <= 3.975275 )
     (( attr rmsd >= 8.595243 and attr rmsd <= 8.675243 )
     and bondedto ( attr rmsd >= 110.2678 and attr rmsd <= 111.0678 ))
      3.6 3.6 1.4
      peak 389 ppm1 3.935275 ppm2 8.635243 volume 8490000 weight 1.0
REMARK dnoe: 2.568445 position 8.640237 3.275256
ASSI { 390 }
     ( attr rmsd >= 3.235256 and attr rmsd <= 3.315256 )
     (( attr rmsd >= 8.600237 and attr rmsd <= 8.680237 )
     and bondedto ( attr rmsd >= 110.2198 and attr rmsd <= 111.0198 ))
      3.0 3.0 0.5999999
      peak 390 ppm1 3.275256 ppm2 8.640237 volume 57400000 weight 1.0
REMARK dnoe: 2.900074 position 8.630261 1.187631
ASSI { 391 }
     ( attr rmsd >= 1.147631 and attr rmsd <= 1.227631 )
     (( attr rmsd >= 8.590261 and attr rmsd <= 8.670261 )
     and bondedto ( attr rmsd >= 110.2307 and attr rmsd <= 111.0307 ))
      3.0 3.0 0.5999999
      peak 391 ppm1 1.187631 ppm2 8.630261 volume 27700002 weight 1.0
REMARK dnoe: 4.003861 position 8.630261 1.583638
ASSI { 392 }
     ( attr rmsd >= 1.543638 and attr rmsd <= 1.623638 )
     (( attr rmsd >= 8.590261 and attr rmsd <= 8.670261 )
     and bondedto ( attr rmsd >= 110.2465 and attr rmsd <= 111.0465 ))
      4.2 4.2 1.8
      peak 392 ppm1 1.583638 ppm2 8.630261 volume 4000000 weight 1.0
REMARK dnoe: 3.444897 position 8.640237 0.7916243
ASSI { 393 }
     ( attr rmsd >= 0.7516243 and attr rmsd <= 0.8316243 )
     (( attr rmsd >= 8.600237 and attr rmsd <= 8.680237 )
     and bondedto ( attr rmsd >= 110.2542 and attr rmsd <= 111.0542 ))
      3.6 3.6 1.4
      peak 393 ppm1 0.7916243 ppm2 8.640237 volume 9860000 weight 1.0
REMARK dnoe: 3.16161 position 8.630883 4.50379
ASSI { 394 }
     ( attr rmsd >= 4.46379 and attr rmsd <= 4.54379 )
     (( attr rmsd >= 8.590883 and attr rmsd <= 8.670883 )
     and bondedto ( attr rmsd >= 110.2792 and attr rmsd <= 111.0792 ))
      3.6 3.6 1.4
      peak 394 ppm1 4.50379 ppm2 8.630883 volume 16500001 weight 1.0
REMARK dnoe: 3.03947 position 9.448839 5.004291
ASSI { 395 }
     ( attr rmsd >= 4.964291 and attr rmsd <= 5.044291 )
     (( attr rmsd >= 9.408839 and attr rmsd <= 9.488839 )
     and bondedto ( attr rmsd >= 111.2489 and attr rmsd <= 112.0489 ))
      3.6 3.6 1.4
      peak 395 ppm1 5.004291 ppm2 9.448839 volume 20900000 weight 1.0
REMARK dnoe: 2.675765 position 9.448664 4.452961
ASSI { 396 }
     ( attr rmsd >= 4.412961 and attr rmsd <= 4.492961 )
     (( attr rmsd >= 9.408664 and attr rmsd <= 9.488664 )
     and bondedto ( attr rmsd >= 111.2577 and attr rmsd <= 112.0577 ))
      3.0 3.0 0.5999999
      peak 396 ppm1 4.452961 ppm2 9.448664 volume 44900000 weight 1.0
REMARK dnoe: 2.818099 position 9.448534 1.159896
ASSI { 397 }
     ( attr rmsd >= 1.119896 and attr rmsd <= 1.199896 )
     (( attr rmsd >= 9.408534 and attr rmsd <= 9.488534 )
     and bondedto ( attr rmsd >= 111.2399 and attr rmsd <= 112.0399 ))
      3.0 3.0 0.5999999
      peak 397 ppm1 1.159896 ppm2 9.448534 volume 32900000 weight 1.0
REMARK dnoe: 3.198175 position 8.134672 4.375546
ASSI { 398 }
     ( attr rmsd >= 4.335546 and attr rmsd <= 4.415546 )
     (( attr rmsd >= 8.094672 and attr rmsd <= 8.174672 )
     and bondedto ( attr rmsd >= 111.8308 and attr rmsd <= 112.6308 ))
      3.6 3.6 1.4
      peak 398 ppm1 4.375546 ppm2 8.134672 volume 15400000 weight 1.0
REMARK dnoe: 3.281406 position 8.136865 1.163741
ASSI { 399 }
     ( attr rmsd >= 1.123741 and attr rmsd <= 1.203741 )
     (( attr rmsd >= 8.096865 and attr rmsd <= 8.176865 )
     and bondedto ( attr rmsd >= 111.8146 and attr rmsd <= 112.6146 ))
      3.6 3.6 1.4
      peak 399 ppm1 1.163741 ppm2 8.136865 volume 13200000 weight 1.0
REMARK dnoe: 2.916083 position 7.512997 2.895425
ASSI { 400 }
     ( attr rmsd >= 2.855425 and attr rmsd <= 2.935425 )
     (( attr rmsd >= 7.472997 and attr rmsd <= 7.552997 )
     and bondedto ( attr rmsd >= 112.5906 and attr rmsd <= 113.3906 ))
      3.0 3.0 0.5999999
      peak 400 ppm1 2.895425 ppm2 7.512997 volume 26800000 weight 1.0
REMARK dnoe: 2.978541 position 6.84517 2.894745
ASSI { 401 }
     ( attr rmsd >= 2.854745 and attr rmsd <= 2.934745 )
     (( attr rmsd >= 6.80517 and attr rmsd <= 6.88517 )
     and bondedto ( attr rmsd >= 112.6072 and attr rmsd <= 113.4072 ))
      3.0 3.0 0.5999999
      peak 401 ppm1 2.894745 ppm2 6.84517 volume 23600000 weight 1.0
REMARK dnoe: 3.077434 position 7.490607 2.707585
ASSI { 402 }
     ( attr rmsd >= 2.667585 and attr rmsd <= 2.747585 )
     (( attr rmsd >= 7.450607 and attr rmsd <= 7.530607 )
     and bondedto ( attr rmsd >= 112.0367 and attr rmsd <= 112.8367 ))
      3.6 3.6 1.4
      peak 402 ppm1 2.707585 ppm2 7.490607 volume 19400000 weight 1.0
REMARK dnoe: 3.372506 position 6.798339 2.706999
ASSI { 403 }
     ( attr rmsd >= 2.666999 and attr rmsd <= 2.746999 )
     (( attr rmsd >= 6.758339 and attr rmsd <= 6.838339 )
     and bondedto ( attr rmsd >= 112.0566 and attr rmsd <= 112.8566 ))
      3.6 3.6 1.4
      peak 403 ppm1 2.706999 ppm2 6.798339 volume 11200000 weight 1.0
REMARK dnoe: 3.772156 position 7.278536 0.6444135
ASSI { 404 }
     ( attr rmsd >= 0.6044134 and attr rmsd <= 0.6844135 )
     (( attr rmsd >= 7.238536 and attr rmsd <= 7.318536 )
     and bondedto ( attr rmsd >= 110.8266 and attr rmsd <= 111.6266 ))
      4.2 4.2 1.8
      peak 404 ppm1 0.6444135 ppm2 7.278536 volume 5720001 weight 1.0
REMARK dnoe: 2.954022 position 7.280388 2.238008
ASSI { 405 }
     ( attr rmsd >= 2.198008 and attr rmsd <= 2.278008 )
     (( attr rmsd >= 7.240388 and attr rmsd <= 7.320388 )
     and bondedto ( attr rmsd >= 110.8524 and attr rmsd <= 111.6524 ))
      3.0 3.0 0.5999999
      peak 405 ppm1 2.238008 ppm2 7.280388 volume 24800000 weight 1.0
REMARK dnoe: 3.088138 position 6.729141 2.23775
ASSI { 406 }
     ( attr rmsd >= 2.19775 and attr rmsd <= 2.27775 )
     (( attr rmsd >= 6.689141 and attr rmsd <= 6.769141 )
     and bondedto ( attr rmsd >= 110.863 and attr rmsd <= 111.663 ))
      3.6 3.6 1.4
      peak 406 ppm1 2.23775 ppm2 6.729141 volume 19000000 weight 1.0
REMARK dnoe: 3.187908 position 7.206491 1.910061
ASSI { 407 }
     ( attr rmsd >= 1.870061 and attr rmsd <= 1.950061 )
     (( attr rmsd >= 7.166491 and attr rmsd <= 7.246491 )
     and bondedto ( attr rmsd >= 110.9015 and attr rmsd <= 111.7015 ))
      3.6 3.6 1.4
      peak 407 ppm1 1.910061 ppm2 7.206491 volume 15700001 weight 1.0
REMARK dnoe: 3.277281 position 6.727852 1.863453
ASSI { 408 }
     ( attr rmsd >= 1.823453 and attr rmsd <= 1.903453 )
     (( attr rmsd >= 6.687852 and attr rmsd <= 6.767852 )
     and bondedto ( attr rmsd >= 110.886 and attr rmsd <= 111.686 ))
      3.6 3.6 1.4
      peak 408 ppm1 1.863453 ppm2 6.727852 volume 13300000 weight 1.0
REMARK dnoe: 3.387801 position 7.2787 1.932849
ASSI { 409 }
     ( attr rmsd >= 1.892849 and attr rmsd <= 1.972849 )
     (( attr rmsd >= 7.2387 and attr rmsd <= 7.3187 )
     and bondedto ( attr rmsd >= 110.8245 and attr rmsd <= 111.6245 ))
      3.6 3.6 1.4
      peak 409 ppm1 1.932849 ppm2 7.2787 volume 10900000 weight 1.0
REMARK dnoe: 3.230435 position 7.197781 2.175879
ASSI { 410 }
     ( attr rmsd >= 2.135879 and attr rmsd <= 2.215879 )
     (( attr rmsd >= 7.157781 and attr rmsd <= 7.237781 )
     and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 ))
      3.6 3.6 1.4
      peak 410 ppm1 2.175879 ppm2 7.197781 volume 14500000 weight 1.0
REMARK dnoe: 3.480506 position 6.552449 2.175879
ASSI { 411 }
     ( attr rmsd >= 2.135879 and attr rmsd <= 2.215879 )
     (( attr rmsd >= 6.512449 and attr rmsd <= 6.592449 )
     and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 ))
      3.6 3.6 1.4
      peak 411 ppm1 2.175879 ppm2 6.552449 volume 9270000 weight 1.0
REMARK dnoe: 3.509492 position 7.197429 0.7422962
ASSI { 412 }
     ( attr rmsd >= 0.7022962 and attr rmsd <= 0.7822962 )
     (( attr rmsd >= 7.157429 and attr rmsd <= 7.237429 )
     and bondedto ( attr rmsd >= 109.6799 and attr rmsd <= 110.4799 ))
      3.6 3.6 1.4
      peak 412 ppm1 0.7422962 ppm2 7.197429 volume 8820000 weight 1.0
REMARK dnoe: 3.49254 position 6.552941 0.669898
ASSI { 413 }
     ( attr rmsd >= 0.629898 and attr rmsd <= 0.709898 )
     (( attr rmsd >= 6.512941 and attr rmsd <= 6.592941 )
     and bondedto ( attr rmsd >= 109.6998 and attr rmsd <= 110.4998 ))
      3.6 3.6 1.4
      peak 413 ppm1 0.669898 ppm2 6.552941 volume 9080000 weight 1.0
REMARK dnoe: 3.029882 position 6.365218 1.909686
ASSI { 414 }
     ( attr rmsd >= 1.869686 and attr rmsd <= 1.949686 )
     (( attr rmsd >= 6.325218 and attr rmsd <= 6.405218 )
     and bondedto ( attr rmsd >= 109.6668 and attr rmsd <= 110.4668 ))
      3.6 3.6 1.4
      peak 414 ppm1 1.909686 ppm2 6.365218 volume 21300000 weight 1.0
REMARK dnoe: 3.794599 position 6.505653 7.312813
ASSI { 415 }
     ( attr rmsd >= 7.272813 and attr rmsd <= 7.352813 )
     (( attr rmsd >= 6.465653 and attr rmsd <= 6.545653 )
     and bondedto ( attr rmsd >= 111.9568 and attr rmsd <= 112.7568 ))
      4.2 4.2 1.8
      peak 415 ppm1 7.312813 ppm2 6.505653 volume 5520000 weight 1.0
REMARK dnoe: 4.007208 position 6.505512 6.958092
ASSI { 416 }
     ( attr rmsd >= 6.918092 and attr rmsd <= 6.998092 )
     (( attr rmsd >= 6.465512 and attr rmsd <= 6.545512 )
     and bondedto ( attr rmsd >= 111.9568 and attr rmsd <= 112.7568 ))
      4.2 4.2 1.8
      peak 416 ppm1 6.958092 ppm2 6.505512 volume 3980000 weight 1.0
REMARK dnoe: 3.142845 position 6.50645 2.191236
ASSI { 417 }
     ( attr rmsd >= 2.151236 and attr rmsd <= 2.231236 )
     (( attr rmsd >= 6.46645 and attr rmsd <= 6.54645 )
     and bondedto ( attr rmsd >= 111.93 and attr rmsd <= 112.73 ))
      3.6 3.6 1.4
      peak 417 ppm1 2.191236 ppm2 6.50645 volume 17100000 weight 1.0
REMARK dnoe: 2.978541 position 6.506485 1.933177
ASSI { 418 }
     ( attr rmsd >= 1.893177 and attr rmsd <= 1.973177 )
     (( attr rmsd >= 6.466485 and attr rmsd <= 6.546485 )
     and bondedto ( attr rmsd >= 111.9339 and attr rmsd <= 112.7339 ))
      3.0 3.0 0.5999999
      peak 418 ppm1 1.933177 ppm2 6.506485 volume 23600000 weight 1.0
REMARK dnoe: 3.338601 position 6.508665 1.35777
ASSI { 419 }
     ( attr rmsd >= 1.31777 and attr rmsd <= 1.39777 )
     (( attr rmsd >= 6.468665 and attr rmsd <= 6.548665 )
     and bondedto ( attr rmsd >= 111.9179 and attr rmsd <= 112.7179 ))
      3.6 3.6 1.4
      peak 419 ppm1 1.35777 ppm2 6.508665 volume 11900000 weight 1.0
REMARK dnoe: 2.735837 position 6.505758 0.7619898
ASSI { 420 }
     ( attr rmsd >= 0.7219898 and attr rmsd <= 0.8019898 )
     (( attr rmsd >= 6.465758 and attr rmsd <= 6.545758 )
     and bondedto ( attr rmsd >= 111.9241 and attr rmsd <= 112.7241 ))
      3.0 3.0 0.5999999
      peak 420 ppm1 0.7619898 ppm2 6.505758 volume 39300000 weight 1.0
REMARK dnoe: 3.029882 position 6.505688 0.2690845
ASSI { 421 }
     ( attr rmsd >= 0.2290845 and attr rmsd <= 0.3090845 )
     (( attr rmsd >= 6.465688 and attr rmsd <= 6.545688 )
     and bondedto ( attr rmsd >= 111.9185 and attr rmsd <= 112.7185 ))
      3.6 3.6 1.4
      peak 421 ppm1 0.2690845 ppm2 6.505688 volume 21300000 weight 1.0
REMARK dnoe: 3.006802 position 6.505981 6.20094
ASSI { 422 }
     ( attr rmsd >= 6.16094 and attr rmsd <= 6.24094 )
     (( attr rmsd >= 6.465981 and attr rmsd <= 6.545981 )
     and bondedto ( attr rmsd >= 111.8241 and attr rmsd <= 112.6241 ))
      3.6 3.6 1.4
      peak 422 ppm1 6.20094 ppm2 6.505981 volume 22300000 weight 1.0
REMARK dnoe: 3.949791 position 6.515945 4.090176
ASSI { 423 }
     ( attr rmsd >= 4.050176 and attr rmsd <= 4.130176 )
     (( attr rmsd >= 6.475945 and attr rmsd <= 6.555945 )
     and bondedto ( attr rmsd >= 111.9825 and attr rmsd <= 112.7825 ))
      4.2 4.2 1.8
      peak 423 ppm1 4.090176 ppm2 6.515945 volume 4340000 weight 1.0
REMARK dnoe: 3.454303 position 6.506684 1.220876
ASSI { 424 }
     ( attr rmsd >= 1.180876 and attr rmsd <= 1.260876 )
     (( attr rmsd >= 6.466684 and attr rmsd <= 6.546684 )
     and bondedto ( attr rmsd >= 111.9058 and attr rmsd <= 112.7058 ))
      3.6 3.6 1.4
      peak 424 ppm1 1.220876 ppm2 6.506684 volume 9700000 weight 1.0
REMARK dnoe: 3.096341 position 7.139484 2.636336
ASSI { 425 }
     ( attr rmsd >= 2.596336 and attr rmsd <= 2.676336 )
     (( attr rmsd >= 7.099484 and attr rmsd <= 7.179484 )
     and bondedto ( attr rmsd >= 108.6625 and attr rmsd <= 109.4625 ))
      3.6 3.6 1.4
      peak 425 ppm1 2.636336 ppm2 7.139484 volume 18700000 weight 1.0
REMARK dnoe: 3.3433 position 7.14224 1.889734
ASSI { 426 }
     ( attr rmsd >= 1.849734 and attr rmsd <= 1.929734 )
     (( attr rmsd >= 7.10224 and attr rmsd <= 7.18224 )
     and bondedto ( attr rmsd >= 108.616 and attr rmsd <= 109.416 ))
      3.6 3.6 1.4
      peak 426 ppm1 1.889734 ppm2 7.14224 volume 11800000 weight 1.0
REMARK dnoe: 3.357681 position 7.149894 1.753145
ASSI { 427 }
     ( attr rmsd >= 1.713145 and attr rmsd <= 1.793145 )
     (( attr rmsd >= 7.109894 and attr rmsd <= 7.189894 )
     and bondedto ( attr rmsd >= 108.616 and attr rmsd <= 109.416 ))
      3.6 3.6 1.4
      peak 427 ppm1 1.753145 ppm2 7.149894 volume 11500000 weight 1.0
REMARK dnoe: 2.934623 position 7.14224 1.419243
ASSI { 428 }
     ( attr rmsd >= 1.379243 and attr rmsd <= 1.459243 )
     (( attr rmsd >= 7.10224 and attr rmsd <= 7.18224 )
     and bondedto ( attr rmsd >= 108.6473 and attr rmsd <= 109.4473 ))
      3.0 3.0 0.5999999
      peak 428 ppm1 1.419243 ppm2 7.14224 volume 25799998 weight 1.0
REMARK dnoe: 3.382649 position 7.151805 0.694562
ASSI { 429 }
     ( attr rmsd >= 0.654562 and attr rmsd <= 0.734562 )
     (( attr rmsd >= 7.111805 and attr rmsd <= 7.191805 )
     and bondedto ( attr rmsd >= 108.6301 and attr rmsd <= 109.4301 ))
      3.6 3.6 1.4
      peak 429 ppm1 0.694562 ppm2 7.151805 volume 11000000 weight 1.0
REMARK dnoe: 2.855464 position 9.84705 7.350277
ASSI { 430 }
     ( attr rmsd >= 7.310277 and attr rmsd <= 7.390277 )
     (( attr rmsd >= 9.80705 and attr rmsd <= 9.88705 )
     and bondedto ( attr rmsd >= 128.2092 and attr rmsd <= 129.0092 ))
      3.0 3.0 0.5999999
      peak 430 ppm1 7.350277 ppm2 9.84705 volume 30400000 weight 1.0
REMARK dnoe: 2.58523 position 9.846674 6.625901
ASSI { 431 }
     ( attr rmsd >= 6.585901 and attr rmsd <= 6.665901 )
     (( attr rmsd >= 9.806674 and attr rmsd <= 9.886674 )
     and bondedto ( attr rmsd >= 128.2051 and attr rmsd <= 129.0051 ))
      3.0 3.0 0.5999999
      peak 431 ppm1 6.625901 ppm2 9.846674 volume 55200000 weight 1.0
REMARK dnoe: 3.09359 position 9.846252 6.8758
ASSI { 432 }
     ( attr rmsd >= 6.8358 and attr rmsd <= 6.9158 )
     (( attr rmsd >= 9.806252 and attr rmsd <= 9.886252 )
     and bondedto ( attr rmsd >= 128.2543 and attr rmsd <= 129.0543 ))
      3.6 3.6 1.4
      peak 432 ppm1 6.8758 ppm2 9.846252 volume 18800000 weight 1.0
REMARK dnoe: 3.446063 position 9.846453 7.027981
ASSI { 433 }
     ( attr rmsd >= 6.987981 and attr rmsd <= 7.067981 )
     (( attr rmsd >= 9.806453 and attr rmsd <= 9.886453 )
     and bondedto ( attr rmsd >= 128.2543 and attr rmsd <= 129.0543 ))
      3.6 3.6 1.4
      peak 433 ppm1 7.027981 ppm2 9.846453 volume 9840000 weight 1.0
REMARK dnoe: 3.09359 position 9.84528 1.506481
ASSI { 434 }
     ( attr rmsd >= 1.466481 and attr rmsd <= 1.546481 )
     (( attr rmsd >= 9.80528 and attr rmsd <= 9.88528 )
     and bondedto ( attr rmsd >= 128.1738 and attr rmsd <= 128.9738 ))
      3.6 3.6 1.4
      peak 434 ppm1 1.506481 ppm2 9.84528 volume 18800000 weight 1.0
REMARK dnoe: 3.201649 position 9.848082 1.094297
ASSI { 435 }
     ( attr rmsd >= 1.054297 and attr rmsd <= 1.134297 )
     (( attr rmsd >= 9.808082 and attr rmsd <= 9.888082 )
     and bondedto ( attr rmsd >= 128.1963 and attr rmsd <= 128.9963 ))
      3.6 3.6 1.4
      peak 435 ppm1 1.094297 ppm2 9.848082 volume 15300000 weight 1.0
REMARK dnoe: 3.784384 position 9.847858 0.6139116
ASSI { 436 }
     ( attr rmsd >= 0.5739116 and attr rmsd <= 0.6539117 )
     (( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 )
     and bondedto ( attr rmsd >= 128.1978 and attr rmsd <= 128.9978 ))
      4.2 4.2 1.8
      peak 436 ppm1 0.6139116 ppm2 9.847858 volume 5610000 weight 1.0
REMARK dnoe: 3.625208 position 9.847858 0.4609342
ASSI { 437 }
     ( attr rmsd >= 0.4209342 and attr rmsd <= 0.5009342 )
     (( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 )
     and bondedto ( attr rmsd >= 128.2342 and attr rmsd <= 129.0342 ))
      4.2 4.2 1.8
      peak 437 ppm1 0.4609342 ppm2 9.847858 volume 7260000 weight 1.0
REMARK dnoe: 3.184536 position 9.846674 0.1715074
ASSI { 438 }
     ( attr rmsd >= 0.1315074 and attr rmsd <= 0.2115074 )
     (( attr rmsd >= 9.806674 and attr rmsd <= 9.886674 )
     and bondedto ( attr rmsd >= 128.2209 and attr rmsd <= 129.0209 ))
      3.6 3.6 1.4
      peak 438 ppm1 0.1715074 ppm2 9.846674 volume 15800001 weight 1.0
REMARK dnoe: 2.995711 position 9.850226 -0.0976629
ASSI { 439 }
     ( attr rmsd >= -0.1376629 and attr rmsd <= -0.0576629 )
     (( attr rmsd >= 9.810226 and attr rmsd <= 9.890226 )
     and bondedto ( attr rmsd >= 128.1951 and attr rmsd <= 128.9951 ))
      3.0 3.0 0.5999999
      peak 439 ppm1 -0.0976629 ppm2 9.850226 volume 22800000 weight 1.0
REMARK dnoe: 3.004561 position 9.847858 -0.1749139
ASSI { 440 }
     ( attr rmsd >= -0.2149139 and attr rmsd <= -0.1349139 )
     (( attr rmsd >= 9.807858 and attr rmsd <= 9.887858 )
     and bondedto ( attr rmsd >= 128.1951 and attr rmsd <= 128.9951 ))
      3.6 3.6 1.4
      peak 440 ppm1 -0.1749139 ppm2 9.847858 volume 22400000 weight 1.0
REMARK dnoe: 2.38561 position 10.01148 7.305357
ASSI { 442 }
     ( attr rmsd >= 7.265357 and attr rmsd <= 7.345357 )
     (( attr rmsd >= 9.97148 and attr rmsd <= 10.05148 )
     and bondedto ( attr rmsd >= 130.0116 and attr rmsd <= 130.8116 ))
      2.5 2.5 0.2
      peak 442 ppm1 7.305357 ppm2 10.01148 volume 89400000 weight 1.0
REMARK dnoe: 3.3433 position 10.0133 0.7765491
ASSI { 443 }
     ( attr rmsd >= 0.7365491 and attr rmsd <= 0.8165491 )
     (( attr rmsd >= 9.9733 and attr rmsd <= 10.0533 )
     and bondedto ( attr rmsd >= 130.0917 and attr rmsd <= 130.8917 ))
      3.6 3.6 1.4
      peak 443 ppm1 0.7765491 ppm2 10.0133 volume 11800000 weight 1.0
REMARK dnoe: 3.594514 position 10.00985 1.906216
ASSI { 444 }
     ( attr rmsd >= 1.866216 and attr rmsd <= 1.946216 )
     (( attr rmsd >= 9.96985 and attr rmsd <= 10.04985 )
     and bondedto ( attr rmsd >= 130.0518 and attr rmsd <= 130.8518 ))
      3.6 3.6 1.4
      peak 444 ppm1 1.906216 ppm2 10.00985 volume 7640000 weight 1.0
REMARK dnoe: 3.699308 position 10.0122 2.804178
ASSI { 445 }
     ( attr rmsd >= 2.764178 and attr rmsd <= 2.844178 )
     (( attr rmsd >= 9.9722 and attr rmsd <= 10.0522 )
     and bondedto ( attr rmsd >= 130.0717 and attr rmsd <= 130.8717 ))
      4.2 4.2 1.8
      peak 445 ppm1 2.804178 ppm2 10.0122 volume 6430000 weight 1.0
REMARK dnoe: 3.642125 position 10.0125 1.421048
ASSI { 446 }
     ( attr rmsd >= 1.381048 and attr rmsd <= 1.461048 )
     (( attr rmsd >= 9.9725 and attr rmsd <= 10.0525 )
     and bondedto ( attr rmsd >= 130.1715 and attr rmsd <= 130.9715 ))
      4.2 4.2 1.8
      peak 446 ppm1 1.421048 ppm2 10.0125 volume 0.706e+07 weight 1.0
REMARK dnoe: 3.315778 position 9.422264 0.7022285
ASSI { 447 }
     ( attr rmsd >= 0.6622285 and attr rmsd <= 0.7422285 )
     (( attr rmsd >= 9.382264 and attr rmsd <= 9.462264 )
     and bondedto ( attr rmsd >= 126.0573 and attr rmsd <= 126.8573 ))
      3.6 3.6 1.4
      peak 447 ppm1 0.7022285 ppm2 9.422264 volume 12400000 weight 1.0
REMARK dnoe: 3.457279 position 9.428629 1.093735
ASSI { 448 }
     ( attr rmsd >= 1.053735 and attr rmsd <= 1.133735 )
     (( attr rmsd >= 9.388629 and attr rmsd <= 9.468629 )
     and bondedto ( attr rmsd >= 126.0972 and attr rmsd <= 126.8972 ))
      3.6 3.6 1.4
      peak 448 ppm1 1.093735 ppm2 9.428629 volume 9650000 weight 1.0
REMARK dnoe: 2.843129 position 9.419075 1.514288
ASSI { 449 }
     ( attr rmsd >= 1.474288 and attr rmsd <= 1.554288 )
     (( attr rmsd >= 9.379075 and attr rmsd <= 9.459075 )
     and bondedto ( attr rmsd >= 126.0772 and attr rmsd <= 126.8772 ))
      3.0 3.0 0.5999999
      peak 449 ppm1 1.514288 ppm2 9.419075 volume 31200000 weight 1.0
REMARK dnoe: 2.984899 position 9.42067 1.934819
ASSI { 450 }
     ( attr rmsd >= 1.894819 and attr rmsd <= 1.974819 )
     (( attr rmsd >= 9.38067 and attr rmsd <= 9.46067 )
     and bondedto ( attr rmsd >= 126.0372 and attr rmsd <= 126.8372 ))
      3.0 3.0 0.5999999
      peak 450 ppm1 1.934819 ppm2 9.42067 volume 23300000 weight 1.0
REMARK dnoe: 2.801324 position 9.415887 1.804302
ASSI { 451 }
     ( attr rmsd >= 1.764302 and attr rmsd <= 1.844302 )
     (( attr rmsd >= 9.375887 and attr rmsd <= 9.455887 )
     and bondedto ( attr rmsd >= 126.0372 and attr rmsd <= 126.8372 ))
      3.0 3.0 0.5999999
      peak 451 ppm1 1.804302 ppm2 9.415887 volume 34100000 weight 1.0
REMARK dnoe: 3.548788 position 8.4629 5.055541
ASSI { 452 }
     ( attr rmsd >= 5.015541 and attr rmsd <= 5.095541 )
     (( attr rmsd >= 8.4229 and attr rmsd <= 8.5029 )
     and bondedto ( attr rmsd >= 125.4491 and attr rmsd <= 126.2491 ))
      3.6 3.6 1.4
      peak 452 ppm1 5.055541 ppm2 8.4629 volume 8250000 weight 1.0
REMARK dnoe: 2.623858 position 8.462971 4.252882
ASSI { 454 }
     ( attr rmsd >= 4.212882 and attr rmsd <= 4.292882 )
     (( attr rmsd >= 8.422971 and attr rmsd <= 8.502971 )
     and bondedto ( attr rmsd >= 125.4274 and attr rmsd <= 126.2274 ))
      3.0 3.0 0.5999999
      peak 454 ppm1 4.252882 ppm2 8.462971 volume 50500000 weight 1.0
REMARK dnoe: 2.806838 position 8.465093 2.241431
ASSI { 455 }
     ( attr rmsd >= 2.201431 and attr rmsd <= 2.281431 )
     (( attr rmsd >= 8.425093 and attr rmsd <= 8.505093 )
     and bondedto ( attr rmsd >= 125.419 and attr rmsd <= 126.219 ))
      3.0 3.0 0.5999999
      peak 455 ppm1 2.241431 ppm2 8.465093 volume 33700000 weight 1.0
REMARK dnoe: 2.758526 position 8.467297 1.822119
ASSI { 456 }
     ( attr rmsd >= 1.782119 and attr rmsd <= 1.862119 )
     (( attr rmsd >= 8.427297 and attr rmsd <= 8.507297 )
     and bondedto ( attr rmsd >= 125.426 and attr rmsd <= 126.226 ))
      3.0 3.0 0.5999999
      peak 456 ppm1 1.822119 ppm2 8.467297 volume 37400000 weight 1.0
REMARK dnoe: 2.927108 position 8.4629 0.758707
ASSI { 457 }
     ( attr rmsd >= 0.718707 and attr rmsd <= 0.798707 )
     (( attr rmsd >= 8.4229 and attr rmsd <= 8.5029 )
     and bondedto ( attr rmsd >= 125.4442 and attr rmsd <= 126.2442 ))
      3.0 3.0 0.5999999
      peak 457 ppm1 0.758707 ppm2 8.4629 volume 26200000 weight 1.0
REMARK dnoe: 3.830104 position 8.471692 1.307716
ASSI { 458 }
     ( attr rmsd >= 1.267716 and attr rmsd <= 1.347716 )
     (( attr rmsd >= 8.431692 and attr rmsd <= 8.511692 )
     and bondedto ( attr rmsd >= 125.478 and attr rmsd <= 126.278 ))
      4.2 4.2 1.8
      peak 458 ppm1 1.307716 ppm2 8.471692 volume 5220000 weight 1.0
REMARK dnoe: 3.198175 position 6.698991 1.782779
ASSI { 459 }
     ( attr rmsd >= 1.742779 and attr rmsd <= 1.822779 )
     (( attr rmsd >= 6.658991 and attr rmsd <= 6.738991 )
     and bondedto ( attr rmsd >= 110.9782 and attr rmsd <= 111.7782 ))
      3.6 3.6 1.4
      peak 459 ppm1 1.782779 ppm2 6.698991 volume 15400000 weight 1.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -13.138  -8.355  12.700
    2   2H    MET   1          2HT       MET   1 -14.721  -8.371  13.297
    3   3H    MET   1          3HT       MET   1 -13.536  -7.444  14.070
    4    HA   MET   1           HA       MET   1 -14.675  -6.994  11.372
    5   1HB   MET   1          2HB       MET   1 -15.363  -4.823  12.447
    6   2HB   MET   1          1HB       MET   1 -16.161  -6.251  13.092
    7   1HG   MET   1          2HG       MET   1 -13.985  -6.019  14.726
    8   2HG   MET   1          1HG       MET   1 -14.388  -4.335  14.393
    9   1HE   MET   1          1HE       MET   1 -14.430  -4.994  17.253
   10   2HE   MET   1          2HE       MET   1 -16.041  -4.597  17.851
   11   3HE   MET   1          3HE       MET   1 -15.229  -3.512  16.724
   12    H    ARG   2           H        ARG   2 -11.948  -6.706  13.387
   13    HA   ARG   2           HA       ARG   2 -10.865  -4.382  12.022
   14   1HB   ARG   2          2HB       ARG   2 -10.192  -5.956  14.422
   15   2HB   ARG   2          1HB       ARG   2  -8.808  -5.343  13.527
   16   1HG   ARG   2          2HG       ARG   2  -9.268  -3.698  15.116
   17   2HG   ARG   2          1HG       ARG   2  -9.961  -3.074  13.617
   18   1HD   ARG   2          2HD       ARG   2 -11.474  -2.750  15.516
   19   2HD   ARG   2          1HD       ARG   2 -12.171  -3.825  14.304
   20    HE   ARG   2           HE       ARG   2 -11.548  -5.686  15.788
   21   1HH1  ARG   2          1HH1      ARG   2 -11.754  -2.475  17.121
   22   2HH1  ARG   2          2HH1      ARG   2 -12.039  -3.025  18.739
   23   1HH2  ARG   2          1HH2      ARG   2 -11.920  -6.420  17.914
   24   2HH2  ARG   2          2HH2      ARG   2 -12.133  -5.268  19.189
   25    H    GLY   3           H        GLY   3  -9.223  -7.433  12.792
   26   1HA   GLY   3          2HA       GLY   3  -8.934  -8.481  10.250
   27   2HA   GLY   3          1HA       GLY   3  -7.633  -7.312  10.432
   28    H    SER   4           H        SER   4  -8.136 -10.455  10.502
   29    HA   SER   4           HA       SER   4  -6.639 -11.062  12.930
   30   1HB   SER   4          2HB       SER   4  -7.985 -12.807  10.863
   31   2HB   SER   4          1HB       SER   4  -7.007 -13.458  12.179
   32    HG   SER   4           HG       SER   4  -9.061 -11.648  12.777
   33    H    ASN   5           H        ASN   5  -4.643 -12.139  12.928
   34    HA   ASN   5           HA       ASN   5  -2.935 -11.434  10.719
   35   1HB   ASN   5          2HB       ASN   5  -2.586 -11.877  13.476
   36   2HB   ASN   5          1HB       ASN   5  -1.650 -13.131  12.667
   37   1HD2  ASN   5          1HD2      ASN   5  -0.755 -11.901  10.441
   38   2HD2  ASN   5          2HD2      ASN   5   0.273 -10.575  10.855
   39    H    ALA   6           H        ALA   6  -1.999 -12.757   9.243
   40    HA   ALA   6           HA       ALA   6  -2.662 -15.625   9.383
   41   1HB   ALA   6          1HB       ALA   6  -2.384 -14.901   6.668
   42   2HB   ALA   6          2HB       ALA   6  -3.465 -13.724   7.414
   43   3HB   ALA   6          3HB       ALA   6  -3.835 -15.445   7.509
   44    HA   PRO   7           HA       PRO   7   1.894 -15.361   9.054
   45   1HB   PRO   7          2HB       PRO   7   2.396 -17.660  10.385
   46   2HB   PRO   7          1HB       PRO   7   2.047 -16.138  11.213
   47   1HG   PRO   7          2HG       PRO   7   0.232 -18.449  10.650
   48   2HG   PRO   7          1HG       PRO   7   0.391 -17.486  12.130
   49   1HD   PRO   7          2HD       PRO   7  -1.596 -17.098  10.313
   50   2HD   PRO   7          1HD       PRO   7  -0.939 -15.795  11.321
   51    H    GLN   8           H        GLN   8   2.416 -15.776   6.996
   52    HA   GLN   8           HA       GLN   8   2.849 -16.874   5.055
   53   1HB   GLN   8          2HB       GLN   8   3.119 -19.340   6.767
   54   2HB   GLN   8          1HB       GLN   8   3.931 -18.990   5.248
   55   1HG   GLN   8          2HG       GLN   8   5.387 -17.475   6.225
   56   2HG   GLN   8          1HG       GLN   8   4.355 -17.242   7.634
   57   1HE2  GLN   8          1HE2      GLN   8   4.196 -18.989   9.161
   58   2HE2  GLN   8          2HE2      GLN   8   5.525 -20.074   9.364
   59    HA   PRO   9           HA       PRO   9  -1.321 -18.938   4.802
   60   1HB   PRO   9          2HB       PRO   9  -2.786 -16.994   3.717
   61   2HB   PRO   9          1HB       PRO   9  -2.444 -17.008   5.451
   62   1HG   PRO   9          2HG       PRO   9  -1.195 -15.373   3.286
   63   2HG   PRO   9          1HG       PRO   9  -1.623 -14.905   4.941
   64   1HD   PRO   9          2HD       PRO   9   0.923 -15.636   4.071
   65   2HD   PRO   9          1HD       PRO   9   0.380 -15.606   5.760
   66    H    SER  10           H        SER  10  -2.858 -18.362   2.545
   67    HA   SER  10           HA       SER  10  -1.435 -19.708   0.511
   68   1HB   SER  10          2HB       SER  10  -3.403 -19.603  -0.750
   69   2HB   SER  10          1HB       SER  10  -4.006 -19.517   0.905
   70    HG   SER  10           HG       SER  10  -4.994 -17.900  -0.246
   71    H    HIS  11           H        HIS  11  -1.786 -16.382   1.341
   72    HA   HIS  11           HA       HIS  11  -0.703 -15.463  -1.213
   73   1HB   HIS  11          2HB       HIS  11  -2.532 -14.359   0.550
   74   2HB   HIS  11          1HB       HIS  11  -1.062 -13.450   0.882
   75    HD2  HIS  11           2HD      HIS  11  -0.206 -11.754  -1.134
   76    HE1  HIS  11           1HE      HIS  11  -3.582 -12.390  -3.605
   77    HE2  HIS  11           2HE      HIS  11  -1.616 -10.864  -3.121
   78    H    ILE  12           H        ILE  12   0.651 -13.178  -0.112
   79    HA   ILE  12           HA       ILE  12   3.201 -14.361   0.400
   80    HB   ILE  12           HB       ILE  12   3.007 -12.265  -0.854
   81   1HG1  ILE  12          2HG1      ILE  12   4.574 -10.901   0.890
   82   2HG1  ILE  12          1HG1      ILE  12   4.649 -12.512   1.596
   83   1HG2  ILE  12          1HG2      ILE  12   2.235 -10.932   1.731
   84   2HG2  ILE  12          2HG2      ILE  12   1.072 -11.402   0.490
   85   3HG2  ILE  12          3HG2      ILE  12   2.321 -10.211   0.123
   86   1HD1  ILE  12          1HD1      ILE  12   5.693 -13.416  -0.258
   87   2HD1  ILE  12          2HD1      ILE  12   6.424 -11.816  -0.126
   88   3HD1  ILE  12          3HD1      ILE  12   5.159 -12.113  -1.319
   89    H    SER  13           H        SER  13   4.493 -14.137   2.286
   90    HA   SER  13           HA       SER  13   3.274 -14.693   4.706
   91   1HB   SER  13          2HB       SER  13   5.999 -13.693   3.956
   92   2HB   SER  13          1HB       SER  13   5.551 -13.776   5.659
   93    HG   SER  13           HG       SER  13   6.531 -15.711   4.378
   94    H    LYS  14           H        LYS  14   4.420 -11.591   3.452
   95    HA   LYS  14           HA       LYS  14   2.414 -10.109   4.777
   96   1HB   LYS  14          2HB       LYS  14   3.652  -8.948   6.450
   97   2HB   LYS  14          1HB       LYS  14   3.939 -10.663   6.709
   98   1HG   LYS  14          2HG       LYS  14   6.060 -10.285   5.283
   99   2HG   LYS  14          1HG       LYS  14   5.797  -8.579   5.647
  100   1HD   LYS  14          2HD       LYS  14   6.763  -8.862   7.628
  101   2HD   LYS  14          1HD       LYS  14   5.511 -10.026   8.066
  102   1HE   LYS  14          2HE       LYS  14   8.127 -10.596   6.682
  103   2HE   LYS  14          1HE       LYS  14   7.664 -11.067   8.316
  104   1HZ   LYS  14          1HZ       LYS  14   7.182 -12.984   7.242
  105   2HZ   LYS  14          2HZ       LYS  14   6.888 -12.230   5.756
  106   3HZ   LYS  14          3HZ       LYS  14   5.707 -12.200   6.967
  107    H    TYR  15           H        TYR  15   2.288  -8.022   4.016
  108    HA   TYR  15           HA       TYR  15   4.192  -7.326   1.889
  109   1HB   TYR  15          2HB       TYR  15   1.359  -7.288   2.021
  110   2HB   TYR  15          1HB       TYR  15   1.881  -5.610   1.957
  111    HD1  TYR  15           1HD      TYR  15   0.639  -7.998  -0.041
  112    HD2  TYR  15           2HD      TYR  15   4.089  -5.518   0.165
  113    HE1  TYR  15           1HE      TYR  15   0.910  -8.181  -2.480
  114    HE2  TYR  15           2HE      TYR  15   4.370  -5.695  -2.270
  115    HH   TYR  15           HH       TYR  15   2.007  -7.402  -4.274
  116    H    ILE  16           H        ILE  16   5.124  -5.247   1.826
  117    HA   ILE  16           HA       ILE  16   4.906  -3.749   4.351
  118    HB   ILE  16           HB       ILE  16   7.253  -4.640   2.860
  119   1HG1  ILE  16          2HG1      ILE  16   6.747  -5.086   5.256
  120   2HG1  ILE  16          1HG1      ILE  16   8.323  -4.336   5.016
  121   1HG2  ILE  16          1HG2      ILE  16   8.575  -2.556   3.347
  122   2HG2  ILE  16          2HG2      ILE  16   7.036  -1.720   3.563
  123   3HG2  ILE  16          3HG2      ILE  16   7.440  -2.436   2.002
  124   1HD1  ILE  16          1HD1      ILE  16   7.099  -3.418   6.941
  125   2HD1  ILE  16          2HD1      ILE  16   5.828  -2.871   5.846
  126   3HD1  ILE  16          3HD1      ILE  16   7.454  -2.198   5.717
  127    H    LEU  17           H        LEU  17   4.123  -1.767   4.236
  128    HA   LEU  17           HA       LEU  17   4.059  -0.461   1.600
  129   1HB   LEU  17          2HB       LEU  17   1.901  -1.139   2.981
  130   2HB   LEU  17          1HB       LEU  17   2.239   0.370   3.806
  131    HG   LEU  17           HG       LEU  17   2.262   0.576   0.877
  132   1HD1  LEU  17          1HD1      LEU  17  -0.171   0.494   0.657
  133   2HD1  LEU  17          2HD1      LEU  17  -0.306  -0.055   2.328
  134   3HD1  LEU  17          3HD1      LEU  17   0.485  -1.075   1.126
  135   1HD2  LEU  17          1HD2      LEU  17   0.471   2.377   1.866
  136   2HD2  LEU  17          2HD2      LEU  17   2.201   2.664   1.690
  137   3HD2  LEU  17          3HD2      LEU  17   1.548   2.145   3.243
  138    H    ARG  18           H        ARG  18   5.495   1.109   1.435
  139    HA   ARG  18           HA       ARG  18   6.104   2.702   3.832
  140   1HB   ARG  18          2HB       ARG  18   7.918   2.433   1.445
  141   2HB   ARG  18          1HB       ARG  18   8.315   3.035   3.047
  142   1HG   ARG  18          2HG       ARG  18   8.707   0.987   3.858
  143   2HG   ARG  18          1HG       ARG  18   7.343   0.272   2.996
  144   1HD   ARG  18          2HD       ARG  18   9.050  -0.736   1.875
  145   2HD   ARG  18          1HD       ARG  18   8.902   0.729   0.906
  146    HE   ARG  18           HE       ARG  18  10.731   1.547   2.575
  147   1HH1  ARG  18          1HH1      ARG  18  10.429  -1.628   1.169
  148   2HH1  ARG  18          2HH1      ARG  18  12.131  -1.944   1.198
  149   1HH2  ARG  18          1HH2      ARG  18  12.975   1.139   2.618
  150   2HH2  ARG  18          2HH2      ARG  18  13.579  -0.372   2.020
  151    H    TRP  19           H        TRP  19   5.671   4.820   3.772
  152    HA   TRP  19           HA       TRP  19   5.453   6.123   1.178
  153   1HB   TRP  19          2HB       TRP  19   3.279   6.964   1.481
  154   2HB   TRP  19          1HB       TRP  19   3.171   5.266   1.923
  155    HD1  TRP  19           HD       TRP  19   2.643   8.732   3.281
  156    HE1  TRP  19           1HE      TRP  19   1.745   8.580   5.692
  157    HE3  TRP  19           3HE      TRP  19   3.376   3.741   4.111
  158    HZ2  TRP  19           2HZ      TRP  19   1.395   6.604   7.678
  159    HZ3  TRP  19           3HZ      TRP  19   2.735   2.798   6.290
  160    HH2  TRP  19           HH       TRP  19   1.763   4.201   8.037
  161    H    ARG  20           H        ARG  20   5.692   8.332   1.168
  162    HA   ARG  20           HA       ARG  20   6.156   9.781   3.624
  163   1HB   ARG  20          2HB       ARG  20   8.354   9.250   3.679
  164   2HB   ARG  20          1HB       ARG  20   8.361   8.701   2.011
  165   1HG   ARG  20          2HG       ARG  20   8.167  11.618   2.426
  166   2HG   ARG  20          1HG       ARG  20   9.697  10.855   2.859
  167   1HD   ARG  20          2HD       ARG  20   8.837   9.798   0.360
  168   2HD   ARG  20          1HD       ARG  20   8.731  11.556   0.283
  169    HE   ARG  20           HE       ARG  20  11.199  10.913   1.400
  170   1HH1  ARG  20          1HH1      ARG  20   9.517  10.493  -1.623
  171   2HH1  ARG  20          2HH1      ARG  20  10.962  10.518  -2.578
  172   1HH2  ARG  20          1HH2      ARG  20  13.105  10.948   0.149
  173   2HH2  ARG  20          2HH2      ARG  20  13.000  10.776  -1.571
  174    HA   PRO  21           HA       PRO  21   4.486  13.052   1.173
  175   1HB   PRO  21          2HB       PRO  21   6.316  14.813   2.725
  176   2HB   PRO  21          1HB       PRO  21   4.564  14.919   2.510
  177   1HG   PRO  21          2HG       PRO  21   5.564  14.063   4.812
  178   2HG   PRO  21          1HG       PRO  21   4.140  13.279   4.099
  179   1HD   PRO  21          2HD       PRO  21   6.982  12.361   4.118
  180   2HD   PRO  21          1HD       PRO  21   5.496  11.424   4.366
  181    H    LYS  22           H        LYS  22   5.182  13.029  -0.885
  182    HA   LYS  22           HA       LYS  22   7.935  13.391  -1.602
  183   1HB   LYS  22          2HB       LYS  22   6.368  11.956  -2.881
  184   2HB   LYS  22          1HB       LYS  22   5.463  13.389  -3.333
  185   1HG   LYS  22          2HG       LYS  22   6.762  13.094  -5.193
  186   2HG   LYS  22          1HG       LYS  22   7.780  14.190  -4.257
  187   1HD   LYS  22          2HD       LYS  22   8.486  11.659  -3.360
  188   2HD   LYS  22          1HD       LYS  22   8.280  11.462  -5.102
  189   1HE   LYS  22          2HE       LYS  22  10.587  12.063  -4.496
  190   2HE   LYS  22          1HE       LYS  22   9.826  13.280  -5.519
  191   1HZ   LYS  22          1HZ       LYS  22   9.386  13.859  -2.779
  192   2HZ   LYS  22          2HZ       LYS  22  10.141  14.805  -3.961
  193   3HZ   LYS  22          3HZ       LYS  22  11.042  13.680  -3.076
  194    H    ASN  23           H        ASN  23   5.186  15.421  -1.158
  195    HA   ASN  23           HA       ASN  23   6.406  17.643  -2.610
  196   1HB   ASN  23          2HB       ASN  23   3.933  17.066  -2.788
  197   2HB   ASN  23          1HB       ASN  23   3.771  17.664  -1.140
  198   1HD2  ASN  23          1HD2      ASN  23   5.747  18.862  -3.813
  199   2HD2  ASN  23          2HD2      ASN  23   5.022  20.428  -3.878
  200    H    SER  24           H        SER  24   6.053  16.428   0.576
  201    HA   SER  24           HA       SER  24   6.921  19.004   1.706
  202   1HB   SER  24          2HB       SER  24   5.075  16.936   2.639
  203   2HB   SER  24          1HB       SER  24   6.256  17.410   3.859
  204    HG   SER  24           HG       SER  24   4.466  19.097   2.447
  205    H    VAL  25           H        VAL  25   8.183  16.244   0.604
  206    HA   VAL  25           HA       VAL  25   9.922  14.837   1.168
  207    HB   VAL  25           HB       VAL  25  11.011  16.633   0.006
  208   1HG1  VAL  25          1HG1      VAL  25  12.166  18.322   1.814
  209   2HG1  VAL  25          2HG1      VAL  25  10.557  18.090   2.496
  210   3HG1  VAL  25          3HG1      VAL  25  10.737  18.685   0.846
  211   1HG2  VAL  25          1HG2      VAL  25  13.183  16.171   0.614
  212   2HG2  VAL  25          2HG2      VAL  25  12.315  14.833   1.367
  213   3HG2  VAL  25          3HG2      VAL  25  12.822  16.212   2.341
  214    H    GLY  26           H        GLY  26   9.161  13.824   3.060
  215   1HA   GLY  26          2HA       GLY  26  10.524  14.765   5.505
  216   2HA   GLY  26          1HA       GLY  26   8.876  14.157   5.549
  217    H    ARG  27           H        ARG  27   9.322  12.464   6.944
  218    HA   ARG  27           HA       ARG  27  11.308  10.486   6.111
  219   1HB   ARG  27          2HB       ARG  27   9.713  10.814   8.655
  220   2HB   ARG  27          1HB       ARG  27  10.770   9.442   8.345
  221   1HG   ARG  27          2HG       ARG  27  12.696  10.760   8.402
  222   2HG   ARG  27          1HG       ARG  27  11.784  12.258   8.201
  223   1HD   ARG  27          2HD       ARG  27  11.056  12.260  10.404
  224   2HD   ARG  27          1HD       ARG  27  11.332  10.529  10.600
  225    HE   ARG  27           HE       ARG  27  13.780  11.146  10.468
  226   1HH1  ARG  27          1HH1      ARG  27  11.354  13.343  11.667
  227   2HH1  ARG  27          2HH1      ARG  27  12.458  14.211  12.681
  228   1HH2  ARG  27          1HH2      ARG  27  15.238  12.282  11.801
  229   2HH2  ARG  27          2HH2      ARG  27  14.667  13.609  12.755
  230    H    TRP  28           H        TRP  28  10.752   8.205   6.095
  231    HA   TRP  28           HA       TRP  28   8.170   7.773   4.837
  232   1HB   TRP  28          2HB       TRP  28  10.584   5.990   5.202
  233   2HB   TRP  28          1HB       TRP  28   9.094   5.458   4.433
  234    HD1  TRP  28           HD       TRP  28  11.910   8.060   3.903
  235    HE1  TRP  28           1HE      TRP  28  12.101   8.516   1.377
  236    HE3  TRP  28           3HE      TRP  28   7.952   5.268   2.270
  237    HZ2  TRP  28           2HZ      TRP  28  10.755   7.788  -0.993
  238    HZ3  TRP  28           3HZ      TRP  28   7.469   5.203  -0.141
  239    HH2  TRP  28           HH       TRP  28   8.843   6.436  -1.738
  240    H    LYS  29           H        LYS  29   7.150   5.544   5.362
  241    HA   LYS  29           HA       LYS  29   7.262   4.864   8.194
  242   1HB   LYS  29          2HB       LYS  29   5.064   6.341   6.933
  243   2HB   LYS  29          1HB       LYS  29   4.537   4.882   7.761
  244   1HG   LYS  29          2HG       LYS  29   5.685   5.661   9.800
  245   2HG   LYS  29          1HG       LYS  29   6.113   7.152   8.959
  246   1HD   LYS  29          2HD       LYS  29   3.916   7.898   8.899
  247   2HD   LYS  29          1HD       LYS  29   3.255   6.276   9.113
  248   1HE   LYS  29          2HE       LYS  29   3.001   6.793  11.264
  249   2HE   LYS  29          1HE       LYS  29   4.755   6.684  11.398
  250   1HZ   LYS  29          1HZ       LYS  29   3.479   8.828  12.131
  251   2HZ   LYS  29          2HZ       LYS  29   3.581   9.209  10.486
  252   3HZ   LYS  29          3HZ       LYS  29   4.990   8.938  11.381
  253    H    GLU  30           H        GLU  30   6.255   2.771   8.636
  254    HA   GLU  30           HA       GLU  30   5.874   1.199   6.174
  255   1HB   GLU  30          2HB       GLU  30   7.211   0.244   8.705
  256   2HB   GLU  30          1HB       GLU  30   6.994  -0.683   7.227
  257   1HG   GLU  30          2HG       GLU  30   8.691   0.355   6.158
  258   2HG   GLU  30          1HG       GLU  30   8.411   1.893   6.970
  259    H    ALA  31           H        ALA  31   4.302  -0.281   6.089
  260    HA   ALA  31           HA       ALA  31   2.715  -0.881   8.473
  261   1HB   ALA  31          1HB       ALA  31   0.709  -0.126   7.648
  262   2HB   ALA  31          2HB       ALA  31   1.232  -0.245   5.967
  263   3HB   ALA  31          3HB       ALA  31   1.799   1.087   6.975
  264    H    THR  32           H        THR  32   2.830  -3.042   8.583
  265    HA   THR  32           HA       THR  32   3.135  -4.594   6.148
  266    HB   THR  32           HB       THR  32   2.960  -6.041   8.708
  267    HG1  THR  32           1HG      THR  32   4.673  -3.875   8.321
  268   1HG2  THR  32          1HG2      THR  32   4.920  -7.170   7.805
  269   2HG2  THR  32          2HG2      THR  32   5.022  -5.985   6.502
  270   3HG2  THR  32          3HG2      THR  32   3.648  -7.088   6.586
  271    H    ILE  33           H        ILE  33   1.621  -5.718   5.183
  272    HA   ILE  33           HA       ILE  33  -0.770  -6.565   6.657
  273    HB   ILE  33           HB       ILE  33  -1.161  -5.614   3.860
  274   1HG1  ILE  33          2HG1      ILE  33  -1.604  -3.593   5.993
  275   2HG1  ILE  33          1HG1      ILE  33   0.063  -3.858   5.487
  276   1HG2  ILE  33          1HG2      ILE  33  -2.885  -5.572   6.333
  277   2HG2  ILE  33          2HG2      ILE  33  -2.958  -6.753   5.025
  278   3HG2  ILE  33          3HG2      ILE  33  -3.391  -5.072   4.720
  279   1HD1  ILE  33          1HD1      ILE  33  -0.636  -2.134   4.122
  280   2HD1  ILE  33          2HD1      ILE  33  -2.247  -2.818   3.909
  281   3HD1  ILE  33          3HD1      ILE  33  -0.864  -3.552   3.099
  282    HA   PRO  34           HA       PRO  34   0.833 -10.219   4.511
  283   1HB   PRO  34          2HB       PRO  34  -1.317 -11.569   6.011
  284   2HB   PRO  34          1HB       PRO  34   0.422 -11.884   5.999
  285   1HG   PRO  34          2HG       PRO  34  -0.780 -10.753   8.113
  286   2HG   PRO  34          1HG       PRO  34   0.858 -10.291   7.615
  287   1HD   PRO  34          2HD       PRO  34  -1.738  -8.872   7.145
  288   2HD   PRO  34          1HD       PRO  34  -0.155  -8.203   7.591
  289    H    GLY  35           H        GLY  35   0.051  -9.618   2.450
  290   1HA   GLY  35          2HA       GLY  35  -1.179 -10.072   0.561
  291   2HA   GLY  35          1HA       GLY  35  -2.076 -11.255   1.500
  292    H    HIS  36           H        HIS  36  -4.024 -10.646   0.508
  293    HA   HIS  36           HA       HIS  36  -5.002  -7.956   1.181
  294   1HB   HIS  36          2HB       HIS  36  -4.974  -8.913  -1.252
  295   2HB   HIS  36          1HB       HIS  36  -6.400  -9.802  -0.728
  296    HD2  HIS  36           2HD      HIS  36  -6.702  -6.542   0.991
  297    HE1  HIS  36           1HE      HIS  36  -8.465  -5.970  -2.813
  298    HE2  HIS  36           2HE      HIS  36  -8.050  -4.935  -0.536
  299    H    LEU  37           H        LEU  37  -5.254  -8.900   3.406
  300    HA   LEU  37           HA       LEU  37  -7.243 -10.870   3.894
  301   1HB   LEU  37          2HB       LEU  37  -7.170  -9.759   6.255
  302   2HB   LEU  37          1HB       LEU  37  -5.802 -10.688   5.674
  303    HG   LEU  37           HG       LEU  37  -5.713  -7.792   5.095
  304   1HD1  LEU  37          1HD1      LEU  37  -6.392  -8.642   7.695
  305   2HD1  LEU  37          2HD1      LEU  37  -5.912  -7.030   7.166
  306   3HD1  LEU  37          3HD1      LEU  37  -4.692  -8.173   7.729
  307   1HD2  LEU  37          1HD2      LEU  37  -3.718  -9.759   6.209
  308   2HD2  LEU  37          2HD2      LEU  37  -3.371  -8.113   5.682
  309   3HD2  LEU  37          3HD2      LEU  37  -3.894  -9.322   4.510
  310    H    ASN  38           H        ASN  38  -7.280  -7.400   3.541
  311    HA   ASN  38           HA       ASN  38 -10.071  -7.328   3.080
  312   1HB   ASN  38          2HB       ASN  38 -10.911  -6.269   5.000
  313   2HB   ASN  38          1HB       ASN  38  -9.878  -7.541   5.643
  314   1HD2  ASN  38          1HD2      ASN  38 -10.731  -4.447   6.047
  315   2HD2  ASN  38          2HD2      ASN  38  -9.298  -3.820   6.780
  316    H    SER  39           H        SER  39 -10.799  -4.845   3.251
  317    HA   SER  39           HA       SER  39  -9.034  -3.456   1.466
  318   1HB   SER  39          2HB       SER  39 -11.582  -2.467   2.769
  319   2HB   SER  39          1HB       SER  39 -10.783  -1.767   1.361
  320    HG   SER  39           HG       SER  39 -11.382  -3.482   0.152
  321    H    TYR  40           H        TYR  40  -7.239  -2.564   2.279
  322    HA   TYR  40           HA       TYR  40  -7.508  -0.874   4.678
  323   1HB   TYR  40          2HB       TYR  40  -6.098  -3.104   4.767
  324   2HB   TYR  40          1HB       TYR  40  -4.879  -2.115   3.970
  325    HD1  TYR  40           1HD      TYR  40  -6.247  -3.094   7.081
  326    HD2  TYR  40           2HD      TYR  40  -4.320   0.157   5.125
  327    HE1  TYR  40           1HE      TYR  40  -5.568  -2.190   9.265
  328    HE2  TYR  40           2HE      TYR  40  -3.636   1.070   7.303
  329    HH   TYR  40           HH       TYR  40  -3.239   0.200   9.621
  330    H    THR  41           H        THR  41  -7.366   1.189   4.109
  331    HA   THR  41           HA       THR  41  -5.332   1.957   2.122
  332    HB   THR  41           HB       THR  41  -8.052   3.248   2.392
  333    HG1  THR  41           1HG      THR  41  -8.705   1.785   1.018
  334   1HG2  THR  41          1HG2      THR  41  -7.205   4.913   1.182
  335   2HG2  THR  41          2HG2      THR  41  -6.749   3.772  -0.083
  336   3HG2  THR  41          3HG2      THR  41  -5.622   4.139   1.224
  337    H    ILE  42           H        ILE  42  -3.945   3.459   2.798
  338    HA   ILE  42           HA       ILE  42  -4.303   4.660   5.407
  339    HB   ILE  42           HB       ILE  42  -2.036   4.642   3.429
  340   1HG1  ILE  42          2HG1      ILE  42  -1.748   3.914   6.294
  341   2HG1  ILE  42          1HG1      ILE  42  -2.708   2.831   5.291
  342   1HG2  ILE  42          1HG2      ILE  42  -2.128   6.206   6.007
  343   2HG2  ILE  42          2HG2      ILE  42  -2.139   6.896   4.384
  344   3HG2  ILE  42          3HG2      ILE  42  -0.724   6.011   4.957
  345   1HD1  ILE  42          1HD1      ILE  42  -0.396   3.366   3.821
  346   2HD1  ILE  42          2HD1      ILE  42  -0.825   1.872   4.652
  347   3HD1  ILE  42          3HD1      ILE  42   0.136   3.098   5.481
  348    H    LYS  43           H        LYS  43  -5.156   6.600   5.753
  349    HA   LYS  43           HA       LYS  43  -5.157   8.546   3.542
  350   1HB   LYS  43          2HB       LYS  43  -7.359   7.577   5.262
  351   2HB   LYS  43          1HB       LYS  43  -7.320   9.312   4.975
  352   1HG   LYS  43          2HG       LYS  43  -8.126   9.067   2.926
  353   2HG   LYS  43          1HG       LYS  43  -6.912   7.851   2.524
  354   1HD   LYS  43          2HD       LYS  43  -8.688   6.470   2.397
  355   2HD   LYS  43          1HD       LYS  43  -8.546   6.431   4.156
  356   1HE   LYS  43          2HE       LYS  43 -10.056   8.729   3.287
  357   2HE   LYS  43          1HE       LYS  43 -10.755   7.239   2.655
  358   1HZ   LYS  43          1HZ       LYS  43 -10.036   7.553   5.508
  359   2HZ   LYS  43          2HZ       LYS  43 -11.045   6.393   4.806
  360   3HZ   LYS  43          3HZ       LYS  43 -11.554   8.002   4.908
  361    H    GLY  44           H        GLY  44  -6.414  10.587   5.154
  362   1HA   GLY  44          2HA       GLY  44  -5.957  11.980   7.012
  363   2HA   GLY  44          1HA       GLY  44  -4.486  11.064   7.304
  364    H    LEU  45           H        LEU  45  -4.990  11.882   4.051
  365    HA   LEU  45           HA       LEU  45  -2.907  13.935   4.239
  366   1HB   LEU  45          2HB       LEU  45  -3.675  12.925   1.570
  367   2HB   LEU  45          1HB       LEU  45  -2.086  13.194   2.266
  368    HG   LEU  45           HG       LEU  45  -2.821  11.052   3.711
  369   1HD1  LEU  45          1HD1      LEU  45  -3.965   9.445   2.312
  370   2HD1  LEU  45          2HD1      LEU  45  -4.145  10.649   1.035
  371   3HD1  LEU  45          3HD1      LEU  45  -4.985  10.859   2.571
  372   1HD2  LEU  45          1HD2      LEU  45  -0.766  11.314   2.402
  373   2HD2  LEU  45          2HD2      LEU  45  -1.662  10.923   0.934
  374   3HD2  LEU  45          3HD2      LEU  45  -1.480   9.713   2.205
  375    H    LYS  46           H        LYS  46  -3.312  15.239   1.798
  376    HA   LYS  46           HA       LYS  46  -6.042  16.286   1.874
  377   1HB   LYS  46          2HB       LYS  46  -5.283  18.594   2.104
  378   2HB   LYS  46          1HB       LYS  46  -4.764  17.641   3.487
  379   1HG   LYS  46          2HG       LYS  46  -2.651  18.162   3.109
  380   2HG   LYS  46          1HG       LYS  46  -2.748  17.592   1.447
  381   1HD   LYS  46          2HD       LYS  46  -2.397  19.724   0.908
  382   2HD   LYS  46          1HD       LYS  46  -4.087  19.969   1.344
  383   1HE   LYS  46          2HE       LYS  46  -1.891  20.149   3.379
  384   2HE   LYS  46          1HE       LYS  46  -2.333  21.532   2.377
  385   1HZ   LYS  46          1HZ       LYS  46  -3.650  21.843   4.208
  386   2HZ   LYS  46          2HZ       LYS  46  -3.887  20.190   4.478
  387   3HZ   LYS  46          3HZ       LYS  46  -4.709  20.967   3.220
  388    HA   PRO  47           HA       PRO  47  -5.559  16.754  -2.480
  389   1HB   PRO  47          2HB       PRO  47  -6.828  19.098  -3.024
  390   2HB   PRO  47          1HB       PRO  47  -7.684  17.610  -2.606
  391   1HG   PRO  47          2HG       PRO  47  -6.993  19.949  -0.872
  392   2HG   PRO  47          1HG       PRO  47  -8.503  19.023  -0.954
  393   1HD   PRO  47          2HD       PRO  47  -6.669  18.627   0.991
  394   2HD   PRO  47          1HD       PRO  47  -7.675  17.311   0.352
  395    H    GLY  48           H        GLY  48  -4.222  17.618  -4.020
  396   1HA   GLY  48          2HA       GLY  48  -2.789  19.180  -4.999
  397   2HA   GLY  48          1HA       GLY  48  -2.933  20.180  -3.565
  398    H    VAL  49           H        VAL  49  -2.288  17.137  -2.464
  399    HA   VAL  49           HA       VAL  49   0.619  17.626  -2.549
  400    HB   VAL  49           HB       VAL  49  -0.492  18.010  -0.292
  401   1HG1  VAL  49          1HG1      VAL  49  -1.269  16.252   0.993
  402   2HG1  VAL  49          2HG1      VAL  49  -0.462  15.037   0.001
  403   3HG1  VAL  49          3HG1      VAL  49  -1.898  15.859  -0.607
  404   1HG2  VAL  49          1HG2      VAL  49   1.326  16.586   0.875
  405   2HG2  VAL  49          2HG2      VAL  49   1.824  17.850  -0.251
  406   3HG2  VAL  49          3HG2      VAL  49   1.815  16.162  -0.766
  407    H    VAL  50           H        VAL  50   1.954  15.953  -2.997
  408    HA   VAL  50           HA       VAL  50   0.652  13.371  -3.548
  409    HB   VAL  50           HB       VAL  50   2.249  15.000  -5.257
  410   1HG1  VAL  50          1HG1      VAL  50   3.828  13.147  -6.020
  411   2HG1  VAL  50          2HG1      VAL  50   3.575  12.441  -4.423
  412   3HG1  VAL  50          3HG1      VAL  50   4.278  14.053  -4.576
  413   1HG2  VAL  50          1HG2      VAL  50   0.235  13.486  -5.705
  414   2HG2  VAL  50          2HG2      VAL  50   1.417  12.178  -5.822
  415   3HG2  VAL  50          3HG2      VAL  50   1.503  13.550  -6.930
  416    H    TYR  51           H        TYR  51   1.358  11.628  -2.507
  417    HA   TYR  51           HA       TYR  51   3.819  11.859  -0.908
  418   1HB   TYR  51          2HB       TYR  51   1.335  10.153  -0.555
  419   2HB   TYR  51          1HB       TYR  51   2.855   9.737   0.226
  420    HD1  TYR  51           1HD      TYR  51   0.415  12.532  -0.093
  421    HD2  TYR  51           2HD      TYR  51   3.390  10.642   2.285
  422    HE1  TYR  51           1HE      TYR  51  -0.128  14.038   1.775
  423    HE2  TYR  51           2HE      TYR  51   2.870  12.146   4.153
  424    HH   TYR  51           HH       TYR  51   1.633  14.781   4.107
  425    H    GLU  52           H        GLU  52   4.648   9.361  -0.596
  426    HA   GLU  52           HA       GLU  52   4.766   8.262  -3.339
  427   1HB   GLU  52          2HB       GLU  52   6.937   9.068  -1.528
  428   2HB   GLU  52          1HB       GLU  52   7.128   7.442  -2.165
  429   1HG   GLU  52          2HG       GLU  52   6.578   9.807  -3.925
  430   2HG   GLU  52          1HG       GLU  52   8.209   9.316  -3.468
  431    H    GLY  53           H        GLY  53   4.247   6.131  -3.490
  432   1HA   GLY  53          2HA       GLY  53   4.092   4.626  -0.950
  433   2HA   GLY  53          1HA       GLY  53   2.883   4.488  -2.214
  434    H    GLN  54           H        GLN  54   5.135   2.774  -0.820
  435    HA   GLN  54           HA       GLN  54   5.814   1.324  -3.281
  436   1HB   GLN  54          2HB       GLN  54   7.770   1.614  -1.007
  437   2HB   GLN  54          1HB       GLN  54   8.069   0.983  -2.620
  438   1HG   GLN  54          2HG       GLN  54   7.220   3.518  -3.156
  439   2HG   GLN  54          1HG       GLN  54   8.090   3.732  -1.638
  440   1HE2  GLN  54          1HE2      GLN  54   9.997   1.691  -2.003
  441   2HE2  GLN  54          2HE2      GLN  54  11.075   2.184  -3.261
  442    H    LEU  55           H        LEU  55   4.871  -0.626  -3.116
  443    HA   LEU  55           HA       LEU  55   4.595  -1.813  -0.446
  444   1HB   LEU  55          2HB       LEU  55   2.941  -1.792  -2.824
  445   2HB   LEU  55          1HB       LEU  55   3.230  -3.426  -2.263
  446    HG   LEU  55           HG       LEU  55   2.020  -1.178  -0.651
  447   1HD1  LEU  55          1HD1      LEU  55   0.486  -3.614  -0.988
  448   2HD1  LEU  55          2HD1      LEU  55   0.847  -2.828  -2.526
  449   3HD1  LEU  55          3HD1      LEU  55   0.016  -1.935  -1.252
  450   1HD2  LEU  55          1HD2      LEU  55   2.661  -2.301   1.156
  451   2HD2  LEU  55          2HD2      LEU  55   3.326  -3.608   0.177
  452   3HD2  LEU  55          3HD2      LEU  55   1.621  -3.626   0.633
  453    H    ILE  56           H        ILE  56   6.289  -3.015   0.059
  454    HA   ILE  56           HA       ILE  56   7.439  -4.788  -1.981
  455    HB   ILE  56           HB       ILE  56   8.645  -3.684   0.558
  456   1HG1  ILE  56          2HG1      ILE  56  10.373  -2.911  -1.242
  457   2HG1  ILE  56          1HG1      ILE  56   9.060  -3.191  -2.382
  458   1HG2  ILE  56          1HG2      ILE  56   9.260  -6.071   0.112
  459   2HG2  ILE  56          2HG2      ILE  56  10.619  -4.946   0.129
  460   3HG2  ILE  56          3HG2      ILE  56   9.981  -5.535  -1.406
  461   1HD1  ILE  56          1HD1      ILE  56   8.872  -1.376   0.013
  462   2HD1  ILE  56          2HD1      ILE  56   7.693  -1.558  -1.285
  463   3HD1  ILE  56          3HD1      ILE  56   9.268  -0.842  -1.620
  464    H    SER  57           H        SER  57   6.842  -6.866  -1.820
  465    HA   SER  57           HA       SER  57   5.644  -7.848   0.609
  466   1HB   SER  57          2HB       SER  57   5.710  -8.667  -2.173
  467   2HB   SER  57          1HB       SER  57   5.978 -10.029  -1.088
  468    HG   SER  57           HG       SER  57   3.784  -9.794  -1.362
  469    H    ILE  58           H        ILE  58   6.412  -9.303   1.962
  470    HA   ILE  58           HA       ILE  58   9.220 -10.113   1.727
  471    HB   ILE  58           HB       ILE  58   7.775  -9.638   4.324
  472   1HG1  ILE  58          2HG1      ILE  58   9.736  -7.814   2.910
  473   2HG1  ILE  58          1HG1      ILE  58   7.998  -7.542   2.996
  474   1HG2  ILE  58          1HG2      ILE  58  10.661  -9.446   4.315
  475   2HG2  ILE  58          2HG2      ILE  58  10.107 -11.012   3.718
  476   3HG2  ILE  58          3HG2      ILE  58   9.601 -10.445   5.310
  477   1HD1  ILE  58          1HD1      ILE  58   9.914  -6.620   4.761
  478   2HD1  ILE  58          2HD1      ILE  58   9.139  -7.953   5.617
  479   3HD1  ILE  58          3HD1      ILE  58   8.167  -6.615   5.002
  480    H    GLN  59           H        GLN  59   9.705 -12.224   1.931
  481    HA   GLN  59           HA       GLN  59   7.575 -14.080   2.703
  482   1HB   GLN  59          2HB       GLN  59   9.794 -14.201   0.746
  483   2HB   GLN  59          1HB       GLN  59   9.434 -15.679   1.613
  484   1HG   GLN  59          2HG       GLN  59   7.195 -14.183   0.391
  485   2HG   GLN  59          1HG       GLN  59   8.272 -15.091  -0.669
  486   1HE2  GLN  59          1HE2      GLN  59   6.625 -15.560   2.446
  487   2HE2  GLN  59          2HE2      GLN  59   6.063 -17.157   2.100
  488    H    GLN  60           H        GLN  60   8.928 -16.282   3.342
  489    HA   GLN  60           HA       GLN  60   9.788 -15.820   5.965
  490   1HB   GLN  60          2HB       GLN  60  10.787 -18.229   5.633
  491   2HB   GLN  60          1HB       GLN  60   9.047 -17.981   5.662
  492   1HG   GLN  60          2HG       GLN  60   8.793 -18.529   3.494
  493   2HG   GLN  60          1HG       GLN  60  10.319 -17.788   3.015
  494   1HE2  GLN  60          1HE2      GLN  60  10.184 -19.882   1.721
  495   2HE2  GLN  60          2HE2      GLN  60  10.961 -21.257   2.422
  496    H    TYR  61           H        TYR  61  11.528 -15.740   2.954
  497    HA   TYR  61           HA       TYR  61  14.080 -15.671   4.406
  498   1HB   TYR  61          2HB       TYR  61  15.010 -15.729   1.973
  499   2HB   TYR  61          1HB       TYR  61  14.380 -17.201   2.698
  500    HD1  TYR  61           1HD      TYR  61  13.908 -14.681   0.115
  501    HD2  TYR  61           2HD      TYR  61  12.221 -18.122   1.964
  502    HE1  TYR  61           1HE      TYR  61  12.382 -14.949  -1.791
  503    HE2  TYR  61           2HE      TYR  61  10.687 -18.398   0.061
  504    HH   TYR  61           HH       TYR  61  11.059 -16.674  -2.864
  505    H    GLY  62           H        GLY  62  11.790 -13.570   3.250
  506   1HA   GLY  62          2HA       GLY  62  11.867 -11.248   3.306
  507   2HA   GLY  62          1HA       GLY  62  13.602 -11.339   3.531
  508    H    HIS  63           H        HIS  63  12.154  -9.524   1.866
  509    HA   HIS  63           HA       HIS  63  12.309  -8.524  -0.164
  510   1HB   HIS  63          2HB       HIS  63  14.491 -10.490  -0.845
  511   2HB   HIS  63          1HB       HIS  63  14.268  -8.860  -1.471
  512    HD2  HIS  63           2HD      HIS  63  16.425 -10.599   0.974
  513    HE1  HIS  63           1HE      HIS  63  16.105  -6.623   2.389
  514    HE2  HIS  63           2HE      HIS  63  17.480  -8.752   2.459
  515    H    GLN  64           H        GLN  64  10.356  -9.050  -1.092
  516    HA   GLN  64           HA       GLN  64  10.393 -11.385  -2.874
  517   1HB   GLN  64          2HB       GLN  64   7.964 -10.318  -1.467
  518   2HB   GLN  64          1HB       GLN  64   8.032 -11.722  -2.523
  519   1HG   GLN  64          2HG       GLN  64   9.001 -11.391   0.260
  520   2HG   GLN  64          1HG       GLN  64   8.076 -12.702  -0.466
  521   1HE2  GLN  64          1HE2      GLN  64   9.556 -13.442  -2.574
  522   2HE2  GLN  64          2HE2      GLN  64  11.103 -14.011  -2.062
  523    H    GLU  65           H        GLU  65   7.783  -9.112  -2.595
  524    HA   GLU  65           HA       GLU  65   8.091  -8.400  -5.411
  525   1HB   GLU  65          2HB       GLU  65   5.934  -9.268  -4.095
  526   2HB   GLU  65          1HB       GLU  65   5.737  -7.545  -3.808
  527   1HG   GLU  65          2HG       GLU  65   4.970  -7.215  -5.860
  528   2HG   GLU  65          1HG       GLU  65   6.352  -8.045  -6.575
  529    H    VAL  66           H        VAL  66   8.147  -6.291  -6.156
  530    HA   VAL  66           HA       VAL  66   8.293  -4.145  -4.158
  531    HB   VAL  66           HB       VAL  66  10.253  -4.391  -6.440
  532   1HG1  VAL  66          1HG1      VAL  66   9.532  -2.097  -5.549
  533   2HG1  VAL  66          2HG1      VAL  66  11.259  -2.438  -5.652
  534   3HG1  VAL  66          3HG1      VAL  66  10.435  -2.531  -4.097
  535   1HG2  VAL  66          1HG2      VAL  66  11.882  -4.613  -4.427
  536   2HG2  VAL  66          2HG2      VAL  66  11.004  -6.033  -4.997
  537   3HG2  VAL  66          3HG2      VAL  66  10.449  -5.171  -3.562
  538    H    THR  67           H        THR  67   6.729  -2.744  -4.664
  539    HA   THR  67           HA       THR  67   6.315  -2.094  -7.506
  540    HB   THR  67           HB       THR  67   3.927  -1.875  -5.798
  541    HG1  THR  67           1HG      THR  67   4.954  -3.914  -5.152
  542   1HG2  THR  67          1HG2      THR  67   2.935  -2.987  -7.841
  543   2HG2  THR  67          2HG2      THR  67   4.544  -2.906  -8.561
  544   3HG2  THR  67          3HG2      THR  67   3.699  -1.422  -8.120
  545    H    ARG  68           H        ARG  68   6.173   0.009  -8.001
  546    HA   ARG  68           HA       ARG  68   6.174   1.938  -5.778
  547   1HB   ARG  68          2HB       ARG  68   7.169   2.600  -8.525
  548   2HB   ARG  68          1HB       ARG  68   7.623   3.305  -6.979
  549   1HG   ARG  68          2HG       ARG  68   9.407   2.000  -6.957
  550   2HG   ARG  68          1HG       ARG  68   8.345   0.599  -6.837
  551   1HD   ARG  68          2HD       ARG  68   8.184   1.073  -9.477
  552   2HD   ARG  68          1HD       ARG  68   9.806   1.687  -9.163
  553    HE   ARG  68           HE       ARG  68   9.177  -0.966  -8.142
  554   1HH1  ARG  68          1HH1      ARG  68  10.690   0.976 -10.610
  555   2HH1  ARG  68          2HH1      ARG  68  11.714  -0.304 -11.169
  556   1HH2  ARG  68          1HH2      ARG  68  10.524  -2.655  -8.872
  557   2HH2  ARG  68          2HH2      ARG  68  11.620  -2.366 -10.183
  558    H    PHE  69           H        PHE  69   4.540   3.333  -5.639
  559    HA   PHE  69           HA       PHE  69   2.954   3.941  -8.021
  560   1HB   PHE  69          2HB       PHE  69   0.985   3.914  -6.181
  561   2HB   PHE  69          1HB       PHE  69   1.365   2.546  -7.218
  562    HD1  PHE  69           1HD      PHE  69   1.215   3.781  -3.847
  563    HD2  PHE  69           2HD      PHE  69   2.804   0.703  -6.318
  564    HE1  PHE  69           1HE      PHE  69   1.589   2.384  -1.858
  565    HE2  PHE  69           2HE      PHE  69   3.186  -0.696  -4.335
  566    HZ   PHE  69           HZ       PHE  69   2.576   0.142  -2.100
  567    H    ASP  70           H        ASP  70   1.578   5.820  -7.810
  568    HA   ASP  70           HA       ASP  70   2.934   7.885  -6.255
  569   1HB   ASP  70          2HB       ASP  70   0.692   8.580  -8.083
  570   2HB   ASP  70          1HB       ASP  70   2.232   9.397  -7.831
  571    H    PHE  71           H        PHE  71   1.805   9.311  -4.920
  572    HA   PHE  71           HA       PHE  71  -0.689   8.230  -3.819
  573   1HB   PHE  71          2HB       PHE  71   1.828   8.669  -2.768
  574   2HB   PHE  71          1HB       PHE  71   0.857  10.001  -2.144
  575    HD1  PHE  71           1HD      PHE  71   1.551   6.521  -2.093
  576    HD2  PHE  71           2HD      PHE  71  -1.099   9.543  -0.759
  577    HE1  PHE  71           1HE      PHE  71   0.726   4.993  -0.318
  578    HE2  PHE  71           2HE      PHE  71  -1.944   8.048   1.016
  579    HZ   PHE  71           HZ       PHE  71  -1.019   5.781   1.234
  580    H    THR  72           H        THR  72  -2.358   9.551  -3.384
  581    HA   THR  72           HA       THR  72  -2.072  12.396  -3.292
  582    HB   THR  72           HB       THR  72  -4.153  12.528  -4.944
  583    HG1  THR  72           1HG      THR  72  -4.035  11.024  -6.566
  584   1HG2  THR  72          1HG2      THR  72  -1.758  12.368  -6.567
  585   2HG2  THR  72          2HG2      THR  72  -1.454  13.200  -5.040
  586   3HG2  THR  72          3HG2      THR  72  -2.724  13.775  -6.123
  587    H    THR  73           H        THR  73  -4.284  13.421  -2.801
  588    HA   THR  73           HA       THR  73  -5.738  11.546  -1.061
  589    HB   THR  73           HB       THR  73  -5.941  14.470  -0.591
  590    HG1  THR  73           1HG      THR  73  -3.950  14.423   0.534
  591   1HG2  THR  73          1HG2      THR  73  -6.971  13.624   1.200
  592   2HG2  THR  73          2HG2      THR  73  -5.399  13.042   1.750
  593   3HG2  THR  73          3HG2      THR  73  -6.444  11.989   0.796
  594    H    THR  74           H        THR  74  -7.159  14.609  -1.268
  595    HA   THR  74           HA       THR  74  -9.433  13.490  -2.665
  596    HB   THR  74           HB       THR  74 -10.706  15.127  -1.731
  597    HG1  THR  74           1HG      THR  74  -9.532  17.266  -1.204
  598   1HG2  THR  74          1HG2      THR  74 -10.089  15.503   0.487
  599   2HG2  THR  74          2HG2      THR  74  -8.377  15.660   0.092
  600   3HG2  THR  74          3HG2      THR  74  -9.151  14.075   0.050
  601    H    SER  75           H        SER  75  -6.727  14.412  -3.884
  602    HA   SER  75           HA       SER  75  -7.813  16.197  -5.950
  603   1HB   SER  75          2HB       SER  75  -5.647  16.978  -6.347
  604   2HB   SER  75          1HB       SER  75  -5.638  16.711  -4.603
  605    HG   SER  75           HG       SER  75  -4.628  14.954  -6.594
  606    H    THR  76           H        THR  76  -7.546  15.706  -8.151
  607    HA   THR  76           HA       THR  76  -7.351  12.840  -8.695
  608    HB   THR  76           HB       THR  76  -7.959  14.371 -11.046
  609    HG1  THR  76           1HG      THR  76  -9.505  14.971  -8.726
  610   1HG2  THR  76          1HG2      THR  76 -10.196  12.986  -9.824
  611   2HG2  THR  76          2HG2      THR  76  -8.734  11.999  -9.821
  612   3HG2  THR  76          3HG2      THR  76  -9.356  12.650 -11.338
  613    H    SER  77           H        SER  77  -5.276  12.239  -8.958
  614    HA   SER  77           HA       SER  77  -3.822  13.375 -11.202
  615   1HB   SER  77          2HB       SER  77  -2.196  13.023  -8.728
  616   2HB   SER  77          1HB       SER  77  -1.984  14.152 -10.066
  617    HG   SER  77           HG       SER  77  -3.636  15.411  -9.232
  618    H    THR  78           H        THR  78  -2.015  11.601  -8.864
  619    HA   THR  78           HA       THR  78  -0.925   9.600  -9.046
  620    HB   THR  78           HB       THR  78  -2.870   7.776  -9.775
  621    HG1  THR  78           1HG      THR  78  -4.684   8.655  -8.437
  622   1HG2  THR  78          1HG2      THR  78  -3.227   8.154  -7.045
  623   2HG2  THR  78          2HG2      THR  78  -1.586   8.722  -7.353
  624   3HG2  THR  78          3HG2      THR  78  -2.054   7.085  -7.814
  625    HA   PRO  79           HA       PRO  79  -0.866   9.576 -13.723
  626   1HB   PRO  79          2HB       PRO  79   1.562  10.654 -14.114
  627   2HB   PRO  79          1HB       PRO  79   0.132  11.659 -13.846
  628   1HG   PRO  79          2HG       PRO  79   2.278  10.865 -11.914
  629   2HG   PRO  79          1HG       PRO  79   1.508  12.446 -12.143
  630   1HD   PRO  79          2HD       PRO  79   0.814  10.691 -10.161
  631   2HD   PRO  79          1HD       PRO  79  -0.301  11.886 -10.852
  632    H    GLY  80           H        GLY  80  -0.524   7.516 -14.294
  633   1HA   GLY  80          2HA       GLY  80   2.061   6.409 -14.465
  634   2HA   GLY  80          1HA       GLY  80   1.252   5.737 -13.056
  635    H    SER  81           H        SER  81  -0.428   6.672 -15.982
  636    HA   SER  81           HA       SER  81  -1.752   5.491 -17.406
  637   1HB   SER  81          2HB       SER  81   0.419   3.395 -17.155
  638   2HB   SER  81          1HB       SER  81  -0.733   3.559 -18.480
  639    HG   SER  81           HG       SER  81   1.626   4.694 -18.266
  640    H    ARG  82           H        ARG  82  -3.142   5.368 -15.383
  641    HA   ARG  82           HA       ARG  82  -3.582   2.551 -14.639
  642   1HB   ARG  82          2HB       ARG  82  -2.971   4.408 -12.875
  643   2HB   ARG  82          1HB       ARG  82  -4.674   4.818 -13.022
  644   1HG   ARG  82          2HG       ARG  82  -5.138   3.235 -11.551
  645   2HG   ARG  82          1HG       ARG  82  -4.565   2.031 -12.707
  646   1HD   ARG  82          2HD       ARG  82  -2.512   1.849 -11.710
  647   2HD   ARG  82          1HD       ARG  82  -2.553   3.493 -11.076
  648    HE   ARG  82           HE       ARG  82  -4.515   1.812  -9.861
  649   1HH1  ARG  82          1HH1      ARG  82  -1.141   2.689  -9.807
  650   2HH1  ARG  82          2HH1      ARG  82  -0.923   2.250  -8.146
  651   1HH2  ARG  82          1HH2      ARG  82  -4.235   1.234  -7.675
  652   2HH2  ARG  82          2HH2      ARG  82  -2.681   1.422  -6.934
  653    H    SER  83           H        SER  83  -4.600   3.835 -17.019
  654    HA   SER  83           HA       SER  83  -7.336   3.061 -16.793
  655   1HB   SER  83          2HB       SER  83  -6.656   5.882 -16.480
  656   2HB   SER  83          1HB       SER  83  -7.776   5.604 -17.812
  657    HG   SER  83           HG       SER  83  -8.392   4.189 -15.549
  658    H    HIS  84           H        HIS  84  -6.633   1.676 -18.466
  659    HA   HIS  84           HA       HIS  84  -7.042   2.719 -21.088
  660   1HB   HIS  84          2HB       HIS  84  -4.832   2.070 -22.016
  661   2HB   HIS  84          1HB       HIS  84  -4.728   3.411 -20.881
  662    HD2  HIS  84           2HD      HIS  84  -3.507   2.803 -18.414
  663    HE1  HIS  84           1HE      HIS  84  -1.941  -0.883 -19.781
  664    HE2  HIS  84           2HE      HIS  84  -1.735   0.946 -18.037
  665    H    HIS  85           H        HIS  85  -7.987   0.615 -19.242
  666    HA   HIS  85           HA       HIS  85  -7.563  -1.710 -21.003
  667   1HB   HIS  85          2HB       HIS  85  -8.324  -2.962 -18.793
  668   2HB   HIS  85          1HB       HIS  85  -6.641  -2.522 -19.064
  669    HD2  HIS  85           2HD      HIS  85  -5.719  -0.324 -17.545
  670    HE1  HIS  85           1HE      HIS  85  -9.017  -0.435 -14.895
  671    HE2  HIS  85           2HE      HIS  85  -6.780   0.652 -15.388
  672    H    HIS  86           H        HIS  86  -9.361  -3.059 -21.401
  673    HA   HIS  86           HA       HIS  86 -11.877  -1.623 -21.390
  674   1HB   HIS  86          2HB       HIS  86 -12.659  -3.293 -22.920
  675   2HB   HIS  86          1HB       HIS  86 -11.019  -2.868 -23.398
  676    HD2  HIS  86           2HD      HIS  86 -13.065  -5.922 -22.901
  677    HE1  HIS  86           1HE      HIS  86  -9.061  -7.108 -22.221
  678    HE2  HIS  86           2HE      HIS  86 -11.453  -7.908 -22.469
  679    H    HIS  87           H        HIS  87 -13.857  -2.514 -20.629
  680    HA   HIS  87           HA       HIS  87 -15.222  -3.502 -19.109
  681   1HB   HIS  87          2HB       HIS  87 -14.038  -5.579 -20.169
  682   2HB   HIS  87          1HB       HIS  87 -13.212  -5.671 -18.616
  683    HD2  HIS  87           2HD      HIS  87 -16.823  -6.019 -20.079
  684    HE1  HIS  87           1HE      HIS  87 -16.707  -7.649 -16.175
  685    HE2  HIS  87           2HE      HIS  87 -18.048  -7.480 -18.320
  686    H    HIS  88           H        HIS  88 -15.545  -3.774 -16.842
  687    HA   HIS  88           HA       HIS  88 -13.278  -2.887 -15.184
  688   1HB   HIS  88          2HB       HIS  88 -16.109  -1.881 -15.246
  689   2HB   HIS  88          1HB       HIS  88 -15.140  -1.744 -13.782
  690    HD2  HIS  88           2HD      HIS  88 -15.694   0.036 -17.102
  691    HE1  HIS  88           1HE      HIS  88 -12.261   1.734 -15.301
  692    HE2  HIS  88           2HE      HIS  88 -13.860   1.862 -17.263
  693    H    HIS  89           H        HIS  89 -13.484  -3.438 -12.889
  694    HA   HIS  89           HA       HIS  89 -13.720  -4.967 -11.223
  695   1HB   HIS  89          2HB       HIS  89 -16.433  -5.062 -12.513
  696   2HB   HIS  89          1HB       HIS  89 -16.043  -6.117 -11.159
  697    HD2  HIS  89           2HD      HIS  89 -17.755  -4.816  -9.429
  698    HE1  HIS  89           1HE      HIS  89 -15.678  -1.129  -9.529
  699    HE2  HIS  89           2HE      HIS  89 -17.388  -2.520  -8.276
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1   0.469 -19.865  17.399
    2   2H    MET   1          2HT       MET   1   1.351 -18.887  18.459
    3   3H    MET   1          3HT       MET   1   0.898 -20.447  18.928
    4    HA   MET   1           HA       MET   1   3.182 -19.588  17.468
    5   1HB   MET   1          2HB       MET   1   2.818 -21.119  19.552
    6   2HB   MET   1          1HB       MET   1   2.551 -22.384  18.361
    7   1HG   MET   1          2HG       MET   1   4.812 -21.590  17.381
    8   2HG   MET   1          1HG       MET   1   5.039 -20.850  18.964
    9   1HE   MET   1          1HE       MET   1   5.739 -24.265  17.050
   10   2HE   MET   1          2HE       MET   1   4.007 -23.932  17.084
   11   3HE   MET   1          3HE       MET   1   4.660 -25.296  17.991
   12    H    ARG   2           H        ARG   2   3.258 -19.553  15.311
   13    HA   ARG   2           HA       ARG   2   1.827 -21.621  13.799
   14   1HB   ARG   2          2HB       ARG   2   1.541 -19.095  13.351
   15   2HB   ARG   2          1HB       ARG   2   3.130 -19.189  12.601
   16   1HG   ARG   2          2HG       ARG   2   1.895 -19.563  10.753
   17   2HG   ARG   2          1HG       ARG   2   1.941 -21.226  11.342
   18   1HD   ARG   2          2HD       ARG   2  -0.270 -21.240  11.512
   19   2HD   ARG   2          1HD       ARG   2  -0.204 -19.883  12.634
   20    HE   ARG   2           HE       ARG   2  -0.465 -18.400  10.774
   21   1HH1  ARG   2          1HH1      ARG   2  -0.888 -21.777  10.023
   22   2HH1  ARG   2          2HH1      ARG   2  -1.778 -21.473   8.568
   23   1HH2  ARG   2          1HH2      ARG   2  -1.634 -17.993   8.859
   24   2HH2  ARG   2          2HH2      ARG   2  -2.201 -19.323   7.906
   25    H    GLY   3           H        GLY   3   4.813 -21.119  15.049
   26   1HA   GLY   3          2HA       GLY   3   6.567 -22.699  14.677
   27   2HA   GLY   3          1HA       GLY   3   6.034 -22.847  13.009
   28    H    SER   4           H        SER   4   7.764 -22.275  11.845
   29    HA   SER   4           HA       SER   4   8.656 -19.523  11.996
   30   1HB   SER   4          2HB       SER   4  10.115 -20.934  13.573
   31   2HB   SER   4          1HB       SER   4  10.760 -21.681  12.112
   32    HG   SER   4           HG       SER   4  11.999 -20.007  11.945
   33    H    ASN   5           H        ASN   5   8.437 -22.582  10.408
   34    HA   ASN   5           HA       ASN   5   9.104 -21.273   7.862
   35   1HB   ASN   5          2HB       ASN   5   9.894 -23.728   7.245
   36   2HB   ASN   5          1HB       ASN   5  10.988 -22.577   8.007
   37   1HD2  ASN   5          1HD2      ASN   5  12.014 -23.232   9.749
   38   2HD2  ASN   5          2HD2      ASN   5  11.562 -24.561  10.756
   39    H    ALA   6           H        ALA   6   7.082 -21.044   7.072
   40    HA   ALA   6           HA       ALA   6   5.398 -23.458   6.920
   41   1HB   ALA   6          1HB       ALA   6   4.230 -20.762   6.476
   42   2HB   ALA   6          2HB       ALA   6   4.659 -21.220   8.124
   43   3HB   ALA   6          3HB       ALA   6   3.516 -22.199   7.205
   44    HA   PRO   7           HA       PRO   7   6.594 -22.747   2.560
   45   1HB   PRO   7          2HB       PRO   7   6.462 -25.330   1.805
   46   2HB   PRO   7          1HB       PRO   7   7.857 -24.674   2.669
   47   1HG   PRO   7          2HG       PRO   7   5.545 -26.254   3.731
   48   2HG   PRO   7          1HG       PRO   7   7.273 -26.426   4.088
   49   1HD   PRO   7          2HD       PRO   7   5.542 -25.121   5.732
   50   2HD   PRO   7          1HD       PRO   7   7.260 -24.693   5.601
   51    H    GLN   8           H        GLN   8   5.378 -22.728   0.680
   52    HA   GLN   8           HA       GLN   8   3.480 -22.514  -0.554
   53   1HB   GLN   8          2HB       GLN   8   3.844 -25.102  -0.217
   54   2HB   GLN   8          1HB       GLN   8   2.365 -24.975   0.726
   55   1HG   GLN   8          2HG       GLN   8   1.609 -25.546  -1.382
   56   2HG   GLN   8          1HG       GLN   8   1.395 -23.797  -1.337
   57   1HE2  GLN   8          1HE2      GLN   8   1.362 -24.024  -3.677
   58   2HE2  GLN   8          2HE2      GLN   8   2.859 -24.052  -4.539
   59    HA   PRO   9           HA       PRO   9   0.862 -21.156   3.073
   60   1HB   PRO   9          2HB       PRO   9   1.553 -18.594   3.317
   61   2HB   PRO   9          1HB       PRO   9   2.554 -19.873   4.017
   62   1HG   PRO   9          2HG       PRO   9   2.961 -18.305   1.507
   63   2HG   PRO   9          1HG       PRO   9   4.155 -18.833   2.705
   64   1HD   PRO   9          2HD       PRO   9   3.625 -20.107   0.289
   65   2HD   PRO   9          1HD       PRO   9   4.440 -20.845   1.681
   66    H    SER  10           H        SER  10  -1.108 -20.122   2.881
   67    HA   SER  10           HA       SER  10  -2.058 -19.578   0.267
   68   1HB   SER  10          2HB       SER  10  -3.197 -20.018   2.816
   69   2HB   SER  10          1HB       SER  10  -3.782 -18.445   2.274
   70    HG   SER  10           HG       SER  10  -4.727 -20.736   1.564
   71    H    HIS  11           H        HIS  11  -0.257 -17.723   2.382
   72    HA   HIS  11           HA       HIS  11  -0.618 -15.358   0.759
   73   1HB   HIS  11          2HB       HIS  11  -0.831 -14.051   3.079
   74   2HB   HIS  11          1HB       HIS  11  -2.243 -14.595   2.180
   75    HD2  HIS  11           2HD      HIS  11  -3.806 -16.449   3.421
   76    HE1  HIS  11           1HE      HIS  11  -1.343 -16.907   6.833
   77    HE2  HIS  11           2HE      HIS  11  -3.639 -17.350   5.847
   78    H    ILE  12           H        ILE  12   0.907 -13.599   1.460
   79    HA   ILE  12           HA       ILE  12   3.513 -14.706   1.851
   80    HB   ILE  12           HB       ILE  12   3.295 -12.807   0.398
   81   1HG1  ILE  12          2HG1      ILE  12   4.590 -11.242   2.471
   82   2HG1  ILE  12          1HG1      ILE  12   5.119 -12.922   2.514
   83   1HG2  ILE  12          1HG2      ILE  12   2.494 -11.012   2.646
   84   2HG2  ILE  12          2HG2      ILE  12   1.274 -11.939   1.773
   85   3HG2  ILE  12          3HG2      ILE  12   2.295 -10.790   0.908
   86   1HD1  ILE  12          1HD1      ILE  12   5.229 -12.356  -0.153
   87   2HD1  ILE  12          2HD1      ILE  12   6.590 -12.296   0.967
   88   3HD1  ILE  12          3HD1      ILE  12   5.699 -10.823   0.580
   89    H    SER  13           H        SER  13   4.958 -14.317   3.577
   90    HA   SER  13           HA       SER  13   4.085 -14.684   6.133
   91   1HB   SER  13          2HB       SER  13   6.485 -14.744   5.255
   92   2HB   SER  13          1HB       SER  13   6.522 -13.002   5.532
   93    HG   SER  13           HG       SER  13   5.983 -14.995   7.484
   94    H    LYS  14           H        LYS  14   4.899 -11.561   4.652
   95    HA   LYS  14           HA       LYS  14   2.790 -10.187   5.930
   96   1HB   LYS  14          2HB       LYS  14   4.268  -8.666   7.325
   97   2HB   LYS  14          1HB       LYS  14   4.007 -10.283   7.960
   98   1HG   LYS  14          2HG       LYS  14   6.171 -10.905   7.656
   99   2HG   LYS  14          1HG       LYS  14   6.397  -9.847   6.263
  100   1HD   LYS  14          2HD       LYS  14   6.594  -7.923   7.660
  101   2HD   LYS  14          1HD       LYS  14   6.084  -8.833   9.083
  102   1HE   LYS  14          2HE       LYS  14   8.182 -10.308   8.464
  103   2HE   LYS  14          1HE       LYS  14   8.701  -8.824   7.664
  104   1HZ   LYS  14          1HZ       LYS  14   8.545  -7.645   9.723
  105   2HZ   LYS  14          2HZ       LYS  14   9.483  -9.027   9.981
  106   3HZ   LYS  14          3HZ       LYS  14   7.878  -8.985  10.512
  107    H    TYR  15           H        TYR  15   2.496  -8.151   5.074
  108    HA   TYR  15           HA       TYR  15   4.348  -7.436   2.904
  109   1HB   TYR  15          2HB       TYR  15   1.656  -7.838   2.794
  110   2HB   TYR  15          1HB       TYR  15   1.721  -6.097   3.042
  111    HD1  TYR  15           1HD      TYR  15   3.681  -4.974   1.476
  112    HD2  TYR  15           2HD      TYR  15   1.466  -8.503   0.612
  113    HE1  TYR  15           1HE      TYR  15   4.113  -4.649  -0.925
  114    HE2  TYR  15           2HE      TYR  15   1.892  -8.190  -1.789
  115    HH   TYR  15           HH       TYR  15   4.049  -5.681  -2.962
  116    H    ILE  16           H        ILE  16   5.327  -5.463   2.853
  117    HA   ILE  16           HA       ILE  16   4.736  -3.650   5.101
  118    HB   ILE  16           HB       ILE  16   7.348  -4.231   3.713
  119   1HG1  ILE  16          2HG1      ILE  16   8.031  -4.366   6.205
  120   2HG1  ILE  16          1HG1      ILE  16   6.302  -4.430   6.530
  121   1HG2  ILE  16          1HG2      ILE  16   6.584  -1.831   5.362
  122   2HG2  ILE  16          2HG2      ILE  16   7.365  -1.879   3.782
  123   3HG2  ILE  16          3HG2      ILE  16   8.255  -2.377   5.220
  124   1HD1  ILE  16          1HD1      ILE  16   8.097  -6.469   5.428
  125   2HD1  ILE  16          2HD1      ILE  16   6.521  -6.346   4.647
  126   3HD1  ILE  16          3HD1      ILE  16   6.625  -6.640   6.382
  127    H    LEU  17           H        LEU  17   3.953  -1.732   4.597
  128    HA   LEU  17           HA       LEU  17   4.184  -0.822   1.813
  129   1HB   LEU  17          2HB       LEU  17   1.892  -1.103   2.644
  130   2HB   LEU  17          1HB       LEU  17   2.234  -0.024   3.982
  131    HG   LEU  17           HG       LEU  17   2.696   1.767   2.213
  132   1HD1  LEU  17          1HD1      LEU  17   0.942   0.823   0.246
  133   2HD1  LEU  17          2HD1      LEU  17   2.103  -0.475   0.525
  134   3HD1  LEU  17          3HD1      LEU  17   2.670   1.137   0.088
  135   1HD2  LEU  17          1HD2      LEU  17   0.510   1.197   3.638
  136   2HD2  LEU  17          2HD2      LEU  17  -0.152   0.983   2.018
  137   3HD2  LEU  17          3HD2      LEU  17   0.574   2.523   2.478
  138    H    ARG  18           H        ARG  18   5.759   0.588   1.516
  139    HA   ARG  18           HA       ARG  18   6.355   2.504   3.669
  140   1HB   ARG  18          2HB       ARG  18   8.564   2.544   2.029
  141   2HB   ARG  18          1HB       ARG  18   8.435   1.668   3.547
  142   1HG   ARG  18          2HG       ARG  18   7.309  -0.077   1.760
  143   2HG   ARG  18          1HG       ARG  18   8.599   0.673   0.817
  144   1HD   ARG  18          2HD       ARG  18   9.244  -0.193   3.579
  145   2HD   ARG  18          1HD       ARG  18   9.009  -1.452   2.367
  146    HE   ARG  18           HE       ARG  18  10.733   0.457   1.293
  147   1HH1  ARG  18          1HH1      ARG  18  10.683  -1.880   3.878
  148   2HH1  ARG  18          2HH1      ARG  18  12.396  -2.131   3.857
  149   1HH2  ARG  18          1HH2      ARG  18  12.989   0.131   1.258
  150   2HH2  ARG  18          2HH2      ARG  18  13.707  -0.988   2.368
  151    H    TRP  19           H        TRP  19   6.114   4.600   3.226
  152    HA   TRP  19           HA       TRP  19   6.300   5.542   0.501
  153   1HB   TRP  19          2HB       TRP  19   4.079   6.417   0.346
  154   2HB   TRP  19          1HB       TRP  19   3.947   4.717   0.772
  155    HD1  TRP  19           HD       TRP  19   3.034   8.144   1.931
  156    HE1  TRP  19           1HE      TRP  19   1.685   8.003   4.123
  157    HE3  TRP  19           3HE      TRP  19   3.773   3.211   3.007
  158    HZ2  TRP  19           2HZ      TRP  19   1.022   6.047   6.050
  159    HZ3  TRP  19           3HZ      TRP  19   2.747   2.279   5.041
  160    HH2  TRP  19           HH       TRP  19   1.400   3.668   6.529
  161    H    ARG  20           H        ARG  20   6.257   7.842   0.312
  162    HA   ARG  20           HA       ARG  20   6.301   9.512   2.650
  163   1HB   ARG  20          2HB       ARG  20   8.598  10.210   2.519
  164   2HB   ARG  20          1HB       ARG  20   8.572   8.458   2.659
  165   1HG   ARG  20          2HG       ARG  20   9.355   8.135   0.541
  166   2HG   ARG  20          1HG       ARG  20   8.671   9.647  -0.061
  167   1HD   ARG  20          2HD       ARG  20  10.420  10.917   0.758
  168   2HD   ARG  20          1HD       ARG  20  10.868   9.710   1.962
  169    HE   ARG  20           HE       ARG  20  11.252   8.691  -0.647
  170   1HH1  ARG  20          1HH1      ARG  20  12.625  10.925   1.648
  171   2HH1  ARG  20          2HH1      ARG  20  14.233  10.777   1.023
  172   1HH2  ARG  20          1HH2      ARG  20  13.364   8.489  -1.473
  173   2HH2  ARG  20          2HH2      ARG  20  14.654   9.392  -0.751
  174    HA   PRO  21           HA       PRO  21   5.026  12.561  -0.270
  175   1HB   PRO  21          2HB       PRO  21   6.934  14.499   0.913
  176   2HB   PRO  21          1HB       PRO  21   5.181  14.604   0.742
  177   1HG   PRO  21          2HG       PRO  21   6.293  14.140   3.121
  178   2HG   PRO  21          1HG       PRO  21   4.782  13.348   2.644
  179   1HD   PRO  21          2HD       PRO  21   7.565  12.251   2.709
  180   2HD   PRO  21          1HD       PRO  21   6.036  11.480   3.174
  181    H    LYS  22           H        LYS  22   5.612  12.407  -2.324
  182    HA   LYS  22           HA       LYS  22   8.334  12.199  -3.166
  183   1HB   LYS  22          2HB       LYS  22   6.277  11.142  -4.258
  184   2HB   LYS  22          1HB       LYS  22   5.966  12.727  -4.952
  185   1HG   LYS  22          2HG       LYS  22   8.699  11.904  -5.394
  186   2HG   LYS  22          1HG       LYS  22   7.550  10.719  -6.019
  187   1HD   LYS  22          2HD       LYS  22   6.877  13.518  -6.604
  188   2HD   LYS  22          1HD       LYS  22   8.367  12.944  -7.357
  189   1HE   LYS  22          2HE       LYS  22   7.279  11.489  -8.714
  190   2HE   LYS  22          1HE       LYS  22   6.031  11.140  -7.518
  191   1HZ   LYS  22          1HZ       LYS  22   4.885  12.310  -9.114
  192   2HZ   LYS  22          2HZ       LYS  22   6.175  13.349  -9.459
  193   3HZ   LYS  22          3HZ       LYS  22   5.290  13.547  -8.031
  194    H    ASN  23           H        ASN  23   5.932  14.757  -3.096
  195    HA   ASN  23           HA       ASN  23   7.684  16.582  -4.540
  196   1HB   ASN  23          2HB       ASN  23   4.948  16.356  -4.413
  197   2HB   ASN  23          1HB       ASN  23   5.257  17.699  -3.317
  198   1HD2  ASN  23          1HD2      ASN  23   5.920  16.511  -6.573
  199   2HD2  ASN  23          2HD2      ASN  23   6.034  18.070  -7.310
  200    H    SER  24           H        SER  24   6.483  15.979  -1.310
  201    HA   SER  24           HA       SER  24   7.948  18.294  -0.274
  202   1HB   SER  24          2HB       SER  24   6.671  16.938   1.845
  203   2HB   SER  24          1HB       SER  24   6.173  18.450   1.087
  204    HG   SER  24           HG       SER  24   4.591  16.682   1.096
  205    H    VAL  25           H        VAL  25   8.588  17.486   2.246
  206    HA   VAL  25           HA       VAL  25  10.414  15.211   1.821
  207    HB   VAL  25           HB       VAL  25  12.001  16.374   3.386
  208   1HG1  VAL  25          1HG1      VAL  25  11.622  16.670   0.641
  209   2HG1  VAL  25          2HG1      VAL  25  13.097  16.995   1.552
  210   3HG1  VAL  25          3HG1      VAL  25  11.950  18.297   1.236
  211   1HG2  VAL  25          1HG2      VAL  25  10.747  18.977   2.742
  212   2HG2  VAL  25          2HG2      VAL  25  11.672  18.483   4.159
  213   3HG2  VAL  25          3HG2      VAL  25   9.981  18.010   4.001
  214    H    GLY  26           H        GLY  26  11.249  14.324   3.961
  215   1HA   GLY  26          2HA       GLY  26  10.409  14.527   6.447
  216   2HA   GLY  26          1HA       GLY  26   8.929  13.938   5.703
  217    H    ARG  27           H        ARG  27   9.292  12.188   7.311
  218    HA   ARG  27           HA       ARG  27  11.352  10.265   6.526
  219   1HB   ARG  27          2HB       ARG  27  10.061  10.964   8.997
  220   2HB   ARG  27          1HB       ARG  27   9.831   9.250   8.676
  221   1HG   ARG  27          2HG       ARG  27  12.505  10.631   8.636
  222   2HG   ARG  27          1HG       ARG  27  11.841   9.785  10.035
  223   1HD   ARG  27          2HD       ARG  27  12.464   8.588   7.337
  224   2HD   ARG  27          1HD       ARG  27  13.367   8.338   8.830
  225    HE   ARG  27           HE       ARG  27  10.629   7.597   9.106
  226   1HH1  ARG  27          1HH1      ARG  27  13.704   6.532   7.861
  227   2HH1  ARG  27          2HH1      ARG  27  13.322   4.849   8.001
  228   1HH2  ARG  27          1HH2      ARG  27  10.116   5.382   9.290
  229   2HH2  ARG  27          2HH2      ARG  27  11.283   4.195   8.812
  230    H    TRP  28           H        TRP  28  10.768   7.980   6.343
  231    HA   TRP  28           HA       TRP  28   8.530   7.633   4.593
  232   1HB   TRP  28          2HB       TRP  28  10.633   5.793   5.709
  233   2HB   TRP  28          1HB       TRP  28   9.275   5.159   4.785
  234    HD1  TRP  28           HD       TRP  28  12.280   7.551   4.355
  235    HE1  TRP  28           1HE      TRP  28  12.915   7.594   1.861
  236    HE3  TRP  28           3HE      TRP  28   8.482   4.675   2.498
  237    HZ2  TRP  28           2HZ      TRP  28  11.935   6.549  -0.571
  238    HZ3  TRP  28           3HZ      TRP  28   8.404   4.244   0.078
  239    HH2  TRP  28           HH       TRP  28  10.096   5.162  -1.425
  240    H    LYS  29           H        LYS  29   7.263   5.405   5.022
  241    HA   LYS  29           HA       LYS  29   6.444   5.195   7.813
  242   1HB   LYS  29          2HB       LYS  29   4.722   6.234   5.601
  243   2HB   LYS  29          1HB       LYS  29   3.985   5.234   6.844
  244   1HG   LYS  29          2HG       LYS  29   5.600   7.194   8.118
  245   2HG   LYS  29          1HG       LYS  29   4.575   7.996   6.925
  246   1HD   LYS  29          2HD       LYS  29   3.142   7.983   8.703
  247   2HD   LYS  29          1HD       LYS  29   2.730   6.424   7.990
  248   1HE   LYS  29          2HE       LYS  29   3.057   6.358  10.458
  249   2HE   LYS  29          1HE       LYS  29   4.110   5.263   9.562
  250   1HZ   LYS  29          1HZ       LYS  29   4.848   7.884  10.743
  251   2HZ   LYS  29          2HZ       LYS  29   5.863   6.990   9.729
  252   3HZ   LYS  29          3HZ       LYS  29   5.394   6.356  11.224
  253    H    GLU  30           H        GLU  30   6.138   3.111   8.328
  254    HA   GLU  30           HA       GLU  30   5.644   1.226   6.119
  255   1HB   GLU  30          2HB       GLU  30   6.836  -0.165   8.272
  256   2HB   GLU  30          1HB       GLU  30   7.507   0.148   6.678
  257   1HG   GLU  30          2HG       GLU  30   8.580   2.125   7.422
  258   2HG   GLU  30          1HG       GLU  30   7.708   2.098   8.954
  259    H    ALA  31           H        ALA  31   4.049  -0.199   6.302
  260    HA   ALA  31           HA       ALA  31   2.807  -0.693   8.906
  261   1HB   ALA  31          1HB       ALA  31   0.540  -0.468   7.751
  262   2HB   ALA  31          2HB       ALA  31   1.403   0.413   6.490
  263   3HB   ALA  31          3HB       ALA  31   1.395   1.024   8.143
  264    H    THR  32           H        THR  32   2.231  -2.796   9.166
  265    HA   THR  32           HA       THR  32   2.823  -4.607   6.984
  266    HB   THR  32           HB       THR  32   1.883  -5.315   9.766
  267    HG1  THR  32           1HG      THR  32   4.522  -5.734   9.192
  268   1HG2  THR  32          1HG2      THR  32   1.590  -7.147   8.226
  269   2HG2  THR  32          2HG2      THR  32   2.999  -7.484   9.232
  270   3HG2  THR  32          3HG2      THR  32   3.214  -6.916   7.575
  271    H    ILE  33           H        ILE  33   1.433  -5.673   5.769
  272    HA   ILE  33           HA       ILE  33  -1.417  -5.648   6.494
  273    HB   ILE  33           HB       ILE  33  -0.384  -5.366   3.671
  274   1HG1  ILE  33          2HG1      ILE  33  -1.783  -3.042   4.534
  275   2HG1  ILE  33          1HG1      ILE  33  -0.538  -3.389   5.729
  276   1HG2  ILE  33          1HG2      ILE  33  -2.638  -6.412   4.073
  277   2HG2  ILE  33          2HG2      ILE  33  -2.639  -4.972   3.054
  278   3HG2  ILE  33          3HG2      ILE  33  -3.151  -4.860   4.738
  279   1HD1  ILE  33          1HD1      ILE  33   0.508  -3.642   3.062
  280   2HD1  ILE  33          2HD1      ILE  33   1.044  -2.613   4.391
  281   3HD1  ILE  33          3HD1      ILE  33  -0.234  -2.061   3.307
  282    HA   PRO  34           HA       PRO  34  -0.710 -10.073   6.240
  283   1HB   PRO  34          2HB       PRO  34  -3.682 -10.018   6.138
  284   2HB   PRO  34          1HB       PRO  34  -2.604 -10.955   7.167
  285   1HG   PRO  34          2HG       PRO  34  -3.891  -8.869   8.163
  286   2HG   PRO  34          1HG       PRO  34  -2.194  -9.159   8.598
  287   1HD   PRO  34          2HD       PRO  34  -3.343  -7.195   6.652
  288   2HD   PRO  34          1HD       PRO  34  -2.008  -6.987   7.805
  289    H    GLY  35           H        GLY  35   0.059  -9.659   3.956
  290   1HA   GLY  35          2HA       GLY  35  -0.035 -10.091   1.701
  291   2HA   GLY  35          1HA       GLY  35  -1.163 -11.361   2.151
  292    H    HIS  36           H        HIS  36  -2.256  -8.341   3.131
  293    HA   HIS  36           HA       HIS  36  -3.794  -6.847   2.346
  294   1HB   HIS  36          2HB       HIS  36  -2.369  -7.269   0.107
  295   2HB   HIS  36          1HB       HIS  36  -3.899  -7.974  -0.403
  296    HD2  HIS  36           2HD      HIS  36  -5.614  -5.547   1.329
  297    HE1  HIS  36           1HE      HIS  36  -3.890  -3.201  -1.743
  298    HE2  HIS  36           2HE      HIS  36  -5.578  -3.237   0.149
  299    H    LEU  37           H        LEU  37  -5.594  -7.428   3.374
  300    HA   LEU  37           HA       LEU  37  -6.950  -9.879   3.038
  301   1HB   LEU  37          2HB       LEU  37  -7.785  -7.239   4.223
  302   2HB   LEU  37          1HB       LEU  37  -8.827  -8.648   4.233
  303    HG   LEU  37           HG       LEU  37  -7.040  -9.856   5.526
  304   1HD1  LEU  37          1HD1      LEU  37  -5.183  -8.785   6.376
  305   2HD1  LEU  37          2HD1      LEU  37  -5.886  -7.179   6.173
  306   3HD1  LEU  37          3HD1      LEU  37  -5.297  -8.067   4.768
  307   1HD2  LEU  37          1HD2      LEU  37  -9.046  -8.845   6.547
  308   2HD2  LEU  37          2HD2      LEU  37  -8.139  -7.355   6.800
  309   3HD2  LEU  37          3HD2      LEU  37  -7.652  -8.834   7.628
  310    H    ASN  38           H        ASN  38  -7.331  -6.711   1.592
  311    HA   ASN  38           HA       ASN  38  -8.436  -7.444  -0.787
  312   1HB   ASN  38          2HB       ASN  38 -10.460  -8.284  -0.174
  313   2HB   ASN  38          1HB       ASN  38 -10.443  -7.465   1.384
  314   1HD2  ASN  38          1HD2      ASN  38 -11.948  -6.005   1.631
  315   2HD2  ASN  38          2HD2      ASN  38 -12.694  -5.078   0.378
  316    H    SER  39           H        SER  39  -9.533  -5.101   1.679
  317    HA   SER  39           HA       SER  39  -8.572  -2.947  -0.085
  318   1HB   SER  39          2HB       SER  39 -11.235  -3.481   0.430
  319   2HB   SER  39          1HB       SER  39 -10.855  -2.197   1.577
  320    HG   SER  39           HG       SER  39 -10.401  -0.847  -0.052
  321    H    TYR  40           H        TYR  40  -7.002  -1.852   0.875
  322    HA   TYR  40           HA       TYR  40  -7.220  -1.313   3.761
  323   1HB   TYR  40          2HB       TYR  40  -5.486  -3.063   3.246
  324   2HB   TYR  40          1HB       TYR  40  -4.616  -1.847   2.318
  325    HD1  TYR  40           1HD      TYR  40  -5.447  -3.061   5.646
  326    HD2  TYR  40           2HD      TYR  40  -3.569   0.072   3.463
  327    HE1  TYR  40           1HE      TYR  40  -4.315  -2.318   7.698
  328    HE2  TYR  40           2HE      TYR  40  -2.431   0.822   5.509
  329    HH   TYR  40           HH       TYR  40  -2.686  -0.992   8.526
  330    H    THR  41           H        THR  41  -7.643   0.792   3.920
  331    HA   THR  41           HA       THR  41  -6.172   2.648   2.162
  332    HB   THR  41           HB       THR  41  -8.774   3.322   3.515
  333    HG1  THR  41           1HG      THR  41  -8.520   1.464   1.699
  334   1HG2  THR  41          1HG2      THR  41  -7.082   4.502   1.352
  335   2HG2  THR  41          2HG2      THR  41  -7.845   5.289   2.734
  336   3HG2  THR  41          3HG2      THR  41  -8.821   4.791   1.352
  337    H    ILE  42           H        ILE  42  -5.292   4.514   3.033
  338    HA   ILE  42           HA       ILE  42  -4.838   4.424   5.923
  339    HB   ILE  42           HB       ILE  42  -3.476   6.214   3.912
  340   1HG1  ILE  42          2HG1      ILE  42  -1.829   4.055   4.871
  341   2HG1  ILE  42          1HG1      ILE  42  -3.285   3.404   4.125
  342   1HG2  ILE  42          1HG2      ILE  42  -3.451   6.712   6.428
  343   2HG2  ILE  42          2HG2      ILE  42  -1.907   6.679   5.576
  344   3HG2  ILE  42          3HG2      ILE  42  -2.403   5.300   6.558
  345   1HD1  ILE  42          1HD1      ILE  42  -1.431   5.376   2.817
  346   2HD1  ILE  42          2HD1      ILE  42  -2.812   4.567   2.079
  347   3HD1  ILE  42          3HD1      ILE  42  -1.396   3.633   2.562
  348    H    LYS  43           H        LYS  43  -5.571   5.968   7.303
  349    HA   LYS  43           HA       LYS  43  -7.170   8.143   6.127
  350   1HB   LYS  43          2HB       LYS  43  -7.411   6.618   8.704
  351   2HB   LYS  43          1HB       LYS  43  -8.164   8.195   8.516
  352   1HG   LYS  43          2HG       LYS  43  -8.784   6.516   6.268
  353   2HG   LYS  43          1HG       LYS  43  -9.208   5.715   7.782
  354   1HD   LYS  43          2HD       LYS  43 -11.122   6.945   7.155
  355   2HD   LYS  43          1HD       LYS  43 -10.354   7.884   8.436
  356   1HE   LYS  43          2HE       LYS  43  -9.194   9.169   6.559
  357   2HE   LYS  43          1HE       LYS  43 -10.360   8.406   5.478
  358   1HZ   LYS  43          1HZ       LYS  43 -11.871   9.393   7.529
  359   2HZ   LYS  43          2HZ       LYS  43 -11.704  10.079   5.992
  360   3HZ   LYS  43          3HZ       LYS  43 -10.718  10.602   7.263
  361    H    GLY  44           H        GLY  44  -7.352  10.099   7.649
  362   1HA   GLY  44          2HA       GLY  44  -6.356  11.726   8.989
  363   2HA   GLY  44          1HA       GLY  44  -4.973  10.664   9.211
  364    H    LEU  45           H        LEU  45  -6.494  11.970   6.272
  365    HA   LEU  45           HA       LEU  45  -4.067  13.507   5.720
  366   1HB   LEU  45          2HB       LEU  45  -5.056  12.193   3.319
  367   2HB   LEU  45          1HB       LEU  45  -3.409  12.334   3.926
  368    HG   LEU  45           HG       LEU  45  -5.138  10.398   5.350
  369   1HD1  LEU  45          1HD1      LEU  45  -5.677  10.216   2.851
  370   2HD1  LEU  45          2HD1      LEU  45  -5.181   8.754   3.703
  371   3HD1  LEU  45          3HD1      LEU  45  -4.028   9.613   2.681
  372   1HD2  LEU  45          1HD2      LEU  45  -3.129   9.163   5.508
  373   2HD2  LEU  45          2HD2      LEU  45  -2.684  10.851   5.753
  374   3HD2  LEU  45          3HD2      LEU  45  -2.378  10.076   4.199
  375    H    LYS  46           H        LYS  46  -4.641  14.409   3.198
  376    HA   LYS  46           HA       LYS  46  -7.359  15.333   3.022
  377   1HB   LYS  46          2HB       LYS  46  -6.355  17.800   2.995
  378   2HB   LYS  46          1HB       LYS  46  -6.958  17.051   4.466
  379   1HG   LYS  46          2HG       LYS  46  -4.976  17.747   5.276
  380   2HG   LYS  46          1HG       LYS  46  -4.411  16.231   4.572
  381   1HD   LYS  46          2HD       LYS  46  -2.902  17.552   3.546
  382   2HD   LYS  46          1HD       LYS  46  -4.232  17.880   2.432
  383   1HE   LYS  46          2HE       LYS  46  -4.674  19.661   4.485
  384   2HE   LYS  46          1HE       LYS  46  -2.917  19.638   4.345
  385   1HZ   LYS  46          1HZ       LYS  46  -3.625  19.805   1.783
  386   2HZ   LYS  46          2HZ       LYS  46  -3.316  21.155   2.755
  387   3HZ   LYS  46          3HZ       LYS  46  -4.908  20.647   2.495
  388    HA   PRO  47           HA       PRO  47  -6.241  15.471  -1.252
  389   1HB   PRO  47          2HB       PRO  47  -8.058  17.291  -2.179
  390   2HB   PRO  47          1HB       PRO  47  -8.456  15.611  -1.801
  391   1HG   PRO  47          2HG       PRO  47  -8.871  18.075  -0.155
  392   2HG   PRO  47          1HG       PRO  47  -9.959  16.696  -0.403
  393   1HD   PRO  47          2HD       PRO  47  -8.476  16.969   1.833
  394   2HD   PRO  47          1HD       PRO  47  -8.848  15.379   1.135
  395    H    GLY  48           H        GLY  48  -4.487  16.422  -2.062
  396   1HA   GLY  48          2HA       GLY  48  -3.853  18.611  -3.170
  397   2HA   GLY  48          1HA       GLY  48  -4.113  19.311  -1.581
  398    H    VAL  49           H        VAL  49  -2.768  16.221  -1.341
  399    HA   VAL  49           HA       VAL  49  -0.068  17.380  -1.073
  400    HB   VAL  49           HB       VAL  49  -1.291  15.129   0.527
  401   1HG1  VAL  49          1HG1      VAL  49   1.498  16.255   0.473
  402   2HG1  VAL  49          2HG1      VAL  49   0.988  14.579   0.265
  403   3HG1  VAL  49          3HG1      VAL  49   0.866  15.349   1.847
  404   1HG2  VAL  49          1HG2      VAL  49  -1.712  17.759   0.918
  405   2HG2  VAL  49          2HG2      VAL  49  -0.235  17.537   1.857
  406   3HG2  VAL  49          3HG2      VAL  49  -1.666  16.569   2.220
  407    H    VAL  50           H        VAL  50   1.532  16.469  -2.219
  408    HA   VAL  50           HA       VAL  50   0.914  14.202  -3.920
  409    HB   VAL  50           HB       VAL  50   3.596  15.558  -3.675
  410   1HG1  VAL  50          1HG1      VAL  50   3.263  13.339  -4.913
  411   2HG1  VAL  50          2HG1      VAL  50   4.074  14.644  -5.780
  412   3HG1  VAL  50          3HG1      VAL  50   2.379  14.287  -6.109
  413   1HG2  VAL  50          1HG2      VAL  50   1.170  16.409  -5.234
  414   2HG2  VAL  50          2HG2      VAL  50   2.803  16.903  -5.680
  415   3HG2  VAL  50          3HG2      VAL  50   2.141  17.361  -4.110
  416    H    TYR  51           H        TYR  51   1.927  12.184  -3.815
  417    HA   TYR  51           HA       TYR  51   3.706  11.693  -1.547
  418   1HB   TYR  51          2HB       TYR  51   0.928  10.986  -1.612
  419   2HB   TYR  51          1HB       TYR  51   1.899   9.520  -1.605
  420    HD1  TYR  51           1HD      TYR  51   4.172  10.303   0.125
  421    HD2  TYR  51           2HD      TYR  51   0.030  11.137   0.471
  422    HE1  TYR  51           1HE      TYR  51   4.425  10.505   2.565
  423    HE2  TYR  51           2HE      TYR  51   0.250  11.351   2.912
  424    HH   TYR  51           HH       TYR  51   2.722  10.203   4.626
  425    H    GLU  52           H        GLU  52   4.529   9.481  -1.530
  426    HA   GLU  52           HA       GLU  52   4.611   8.175  -4.154
  427   1HB   GLU  52          2HB       GLU  52   6.699   9.166  -4.304
  428   2HB   GLU  52          1HB       GLU  52   6.910   9.230  -2.560
  429   1HG   GLU  52          2HG       GLU  52   8.487   7.680  -3.314
  430   2HG   GLU  52          1HG       GLU  52   7.175   6.709  -2.648
  431    H    GLY  53           H        GLY  53   4.222   6.011  -3.931
  432   1HA   GLY  53          2HA       GLY  53   4.712   4.832  -1.274
  433   2HA   GLY  53          1HA       GLY  53   3.149   4.645  -2.048
  434    H    GLN  54           H        GLN  54   5.376   2.784  -1.195
  435    HA   GLN  54           HA       GLN  54   5.396   1.229  -3.686
  436   1HB   GLN  54          2HB       GLN  54   7.744   0.446  -2.522
  437   2HB   GLN  54          1HB       GLN  54   7.607   1.595  -3.845
  438   1HG   GLN  54          2HG       GLN  54   7.538   3.426  -2.174
  439   2HG   GLN  54          1HG       GLN  54   7.838   2.228  -0.915
  440   1HE2  GLN  54          1HE2      GLN  54   9.205   4.195  -3.333
  441   2HE2  GLN  54          2HE2      GLN  54  10.845   3.685  -3.152
  442    H    LEU  55           H        LEU  55   4.794  -0.830  -3.450
  443    HA   LEU  55           HA       LEU  55   4.294  -1.795  -0.727
  444   1HB   LEU  55          2HB       LEU  55   3.090  -2.316  -3.394
  445   2HB   LEU  55          1HB       LEU  55   3.094  -3.640  -2.245
  446    HG   LEU  55           HG       LEU  55   2.022  -0.960  -1.439
  447   1HD1  LEU  55          1HD1      LEU  55  -0.118  -2.647  -2.184
  448   2HD1  LEU  55          2HD1      LEU  55   0.986  -2.554  -3.556
  449   3HD1  LEU  55          3HD1      LEU  55   0.324  -1.078  -2.854
  450   1HD2  LEU  55          1HD2      LEU  55   1.063  -2.077   0.301
  451   2HD2  LEU  55          2HD2      LEU  55   2.469  -3.110   0.041
  452   3HD2  LEU  55          3HD2      LEU  55   0.896  -3.580  -0.607
  453    H    ILE  56           H        ILE  56   5.926  -2.945   0.090
  454    HA   ILE  56           HA       ILE  56   7.416  -4.727  -1.709
  455    HB   ILE  56           HB       ILE  56   8.211  -3.463   0.909
  456   1HG1  ILE  56          2HG1      ILE  56  10.178  -2.767  -0.621
  457   2HG1  ILE  56          1HG1      ILE  56   9.133  -3.249  -1.954
  458   1HG2  ILE  56          1HG2      ILE  56   9.577  -5.660  -0.637
  459   2HG2  ILE  56          2HG2      ILE  56   9.021  -5.701   1.037
  460   3HG2  ILE  56          3HG2      ILE  56  10.385  -4.678   0.586
  461   1HD1  ILE  56          1HD1      ILE  56   8.561  -1.077  -1.884
  462   2HD1  ILE  56          2HD1      ILE  56   8.988  -0.905  -0.181
  463   3HD1  ILE  56          3HD1      ILE  56   7.451  -1.642  -0.635
  464    H    SER  57           H        SER  57   6.847  -6.784  -1.621
  465    HA   SER  57           HA       SER  57   5.527  -7.836   0.746
  466   1HB   SER  57          2HB       SER  57   4.587  -9.375  -0.619
  467   2HB   SER  57          1HB       SER  57   5.104  -8.287  -1.906
  468    HG   SER  57           HG       SER  57   5.747 -10.503  -2.206
  469    H    ILE  58           H        ILE  58   6.580  -8.837   2.286
  470    HA   ILE  58           HA       ILE  58   9.229  -9.966   1.683
  471    HB   ILE  58           HB       ILE  58   8.295  -9.140   4.420
  472   1HG1  ILE  58          2HG1      ILE  58   9.354  -7.505   2.161
  473   2HG1  ILE  58          1HG1      ILE  58   8.208  -7.071   3.420
  474   1HG2  ILE  58          1HG2      ILE  58  11.036  -8.877   4.234
  475   2HG2  ILE  58          2HG2      ILE  58  10.692 -10.319   3.281
  476   3HG2  ILE  58          3HG2      ILE  58  10.164 -10.226   4.960
  477   1HD1  ILE  58          1HD1      ILE  58  10.405  -7.295   4.918
  478   2HD1  ILE  58          2HD1      ILE  58   9.933  -5.800   4.109
  479   3HD1  ILE  58          3HD1      ILE  58  11.146  -6.853   3.380
  480    H    GLN  59           H        GLN  59   9.205 -12.083   1.548
  481    HA   GLN  59           HA       GLN  59   7.205 -13.644   2.963
  482   1HB   GLN  59          2HB       GLN  59   8.558 -13.918   0.513
  483   2HB   GLN  59          1HB       GLN  59   9.139 -15.231   1.527
  484   1HG   GLN  59          2HG       GLN  59   6.724 -15.772   2.001
  485   2HG   GLN  59          1HG       GLN  59   6.310 -14.631   0.723
  486   1HE2  GLN  59          1HE2      GLN  59   5.770 -17.452   0.816
  487   2HE2  GLN  59          2HE2      GLN  59   6.563 -18.161  -0.544
  488    H    GLN  60           H        GLN  60   8.313 -15.948   3.615
  489    HA   GLN  60           HA       GLN  60   9.663 -15.430   6.015
  490   1HB   GLN  60          2HB       GLN  60   9.786 -17.783   6.304
  491   2HB   GLN  60          1HB       GLN  60   8.284 -17.470   5.447
  492   1HG   GLN  60          2HG       GLN  60  10.034 -17.862   3.392
  493   2HG   GLN  60          1HG       GLN  60  10.647 -18.971   4.619
  494   1HE2  GLN  60          1HE2      GLN  60   9.205 -19.338   2.010
  495   2HE2  GLN  60          2HE2      GLN  60   7.884 -20.384   2.391
  496    H    TYR  61           H        TYR  61  10.852 -15.679   2.813
  497    HA   TYR  61           HA       TYR  61  13.585 -16.149   3.776
  498   1HB   TYR  61          2HB       TYR  61  14.132 -17.014   1.720
  499   2HB   TYR  61          1HB       TYR  61  12.423 -17.429   1.781
  500    HD1  TYR  61           1HD      TYR  61  14.982 -15.776  -0.060
  501    HD2  TYR  61           2HD      TYR  61  10.783 -15.812   0.629
  502    HE1  TYR  61           1HE      TYR  61  14.630 -14.590  -2.183
  503    HE2  TYR  61           2HE      TYR  61  10.419 -14.625  -1.495
  504    HH   TYR  61           HH       TYR  61  12.982 -14.132  -3.784
  505    H    GLY  62           H        GLY  62  11.575 -13.609   3.086
  506   1HA   GLY  62          2HA       GLY  62  12.676 -11.410   3.506
  507   2HA   GLY  62          1HA       GLY  62  13.860 -11.901   2.306
  508    H    HIS  63           H        HIS  63  12.960  -9.608   1.684
  509    HA   HIS  63           HA       HIS  63  10.485  -9.235   0.507
  510   1HB   HIS  63          2HB       HIS  63  11.461  -7.378  -0.682
  511   2HB   HIS  63          1HB       HIS  63  12.192  -7.458   0.919
  512    HD2  HIS  63           2HD      HIS  63  14.899  -7.873   0.983
  513    HE1  HIS  63           1HE      HIS  63  15.393  -8.117  -3.214
  514    HE2  HIS  63           2HE      HIS  63  16.579  -7.814  -0.994
  515    H    GLN  64           H        GLN  64   9.940  -9.053  -1.811
  516    HA   GLN  64           HA       GLN  64  11.447 -10.424  -3.786
  517   1HB   GLN  64          2HB       GLN  64   9.773 -12.297  -4.107
  518   2HB   GLN  64          1HB       GLN  64  10.832 -12.444  -2.711
  519   1HG   GLN  64          2HG       GLN  64   9.134 -12.382  -1.271
  520   2HG   GLN  64          1HG       GLN  64   8.341 -11.056  -2.121
  521   1HE2  GLN  64          1HE2      GLN  64   7.714 -13.950  -1.045
  522   2HE2  GLN  64          2HE2      GLN  64   6.688 -14.576  -2.285
  523    H    GLU  65           H        GLU  65   9.113  -8.330  -2.846
  524    HA   GLU  65           HA       GLU  65   8.161  -8.017  -5.590
  525   1HB   GLU  65          2HB       GLU  65   6.581  -9.298  -3.744
  526   2HB   GLU  65          1HB       GLU  65   6.031  -7.634  -3.611
  527   1HG   GLU  65          2HG       GLU  65   6.208  -8.121  -6.349
  528   2HG   GLU  65          1HG       GLU  65   5.502  -9.581  -5.660
  529    H    VAL  66           H        VAL  66   8.583  -5.971  -6.130
  530    HA   VAL  66           HA       VAL  66   8.007  -3.865  -4.164
  531    HB   VAL  66           HB       VAL  66  10.463  -3.875  -5.923
  532   1HG1  VAL  66          1HG1      VAL  66   9.622  -1.644  -5.512
  533   2HG1  VAL  66          2HG1      VAL  66  11.098  -1.905  -4.582
  534   3HG1  VAL  66          3HG1      VAL  66   9.527  -1.970  -3.781
  535   1HG2  VAL  66          1HG2      VAL  66  10.100  -4.492  -3.001
  536   2HG2  VAL  66          2HG2      VAL  66  11.652  -4.016  -3.689
  537   3HG2  VAL  66          3HG2      VAL  66  10.857  -5.489  -4.242
  538    H    THR  67           H        THR  67   6.662  -2.396  -4.952
  539    HA   THR  67           HA       THR  67   6.766  -1.725  -7.807
  540    HB   THR  67           HB       THR  67   4.060  -1.826  -6.576
  541    HG1  THR  67           1HG      THR  67   3.953  -3.960  -6.533
  542   1HG2  THR  67          1HG2      THR  67   5.293  -2.134  -9.282
  543   2HG2  THR  67          2HG2      THR  67   3.983  -1.074  -8.760
  544   3HG2  THR  67          3HG2      THR  67   3.690  -2.800  -8.976
  545    H    ARG  68           H        ARG  68   6.994   0.400  -8.041
  546    HA   ARG  68           HA       ARG  68   6.297   2.162  -5.813
  547   1HB   ARG  68          2HB       ARG  68   7.713   3.172  -8.227
  548   2HB   ARG  68          1HB       ARG  68   7.942   3.587  -6.533
  549   1HG   ARG  68          2HG       ARG  68   9.757   2.318  -6.587
  550   2HG   ARG  68          1HG       ARG  68   8.681   0.925  -6.674
  551   1HD   ARG  68          2HD       ARG  68   8.762   0.956  -9.082
  552   2HD   ARG  68          1HD       ARG  68   9.710   2.442  -9.067
  553    HE   ARG  68           HE       ARG  68  11.515   1.133  -8.036
  554   1HH1  ARG  68          1HH1      ARG  68   8.967  -0.569  -9.698
  555   2HH1  ARG  68          2HH1      ARG  68   9.932  -1.976 -10.004
  556   1HH2  ARG  68          1HH2      ARG  68  12.787  -0.716  -8.431
  557   2HH2  ARG  68          2HH2      ARG  68  12.102  -2.059  -9.283
  558    H    PHE  69           H        PHE  69   4.863   3.803  -5.942
  559    HA   PHE  69           HA       PHE  69   3.722   4.668  -8.443
  560   1HB   PHE  69          2HB       PHE  69   1.350   4.197  -7.450
  561   2HB   PHE  69          1HB       PHE  69   2.209   2.921  -8.304
  562    HD1  PHE  69           1HD      PHE  69   1.135   4.142  -5.014
  563    HD2  PHE  69           2HD      PHE  69   2.998   0.975  -7.162
  564    HE1  PHE  69           1HE      PHE  69   0.920   2.683  -3.044
  565    HE2  PHE  69           2HE      PHE  69   2.786  -0.488  -5.198
  566    HZ   PHE  69           HZ       PHE  69   1.745   0.364  -3.134
  567    H    ASP  70           H        ASP  70   3.322   6.780  -8.312
  568    HA   ASP  70           HA       ASP  70   3.269   8.017  -5.660
  569   1HB   ASP  70          2HB       ASP  70   3.570  10.157  -6.912
  570   2HB   ASP  70          1HB       ASP  70   4.860   8.993  -7.201
  571    H    PHE  71           H        PHE  71   1.540   9.125  -4.873
  572    HA   PHE  71           HA       PHE  71  -0.785   9.475  -6.613
  573   1HB   PHE  71          2HB       PHE  71  -2.277   8.463  -4.979
  574   2HB   PHE  71          1HB       PHE  71  -1.035   7.310  -5.469
  575    HD1  PHE  71           1HD      PHE  71   0.896   6.880  -3.933
  576    HD2  PHE  71           2HD      PHE  71  -2.542   9.079  -2.727
  577    HE1  PHE  71           1HE      PHE  71   1.485   6.497  -1.573
  578    HE2  PHE  71           2HE      PHE  71  -1.959   8.703  -0.367
  579    HZ   PHE  71           HZ       PHE  71   0.057   7.410   0.213
  580    H    THR  72           H        THR  72  -2.237  11.081  -5.986
  581    HA   THR  72           HA       THR  72  -1.119  13.027  -4.093
  582    HB   THR  72           HB       THR  72  -3.255  14.206  -5.515
  583    HG1  THR  72           1HG      THR  72  -2.339  13.849  -7.695
  584   1HG2  THR  72          1HG2      THR  72  -0.259  14.435  -5.623
  585   2HG2  THR  72          2HG2      THR  72  -1.418  15.519  -4.854
  586   3HG2  THR  72          3HG2      THR  72  -1.308  15.450  -6.613
  587    H    THR  73           H        THR  73  -2.801  14.454  -3.032
  588    HA   THR  73           HA       THR  73  -4.614  14.772  -1.675
  589    HB   THR  73           HB       THR  73  -5.634  12.249  -2.991
  590    HG1  THR  73           1HG      THR  73  -5.854  14.021  -4.311
  591   1HG2  THR  73          1HG2      THR  73  -7.421  13.905  -1.285
  592   2HG2  THR  73          2HG2      THR  73  -6.318  12.790  -0.474
  593   3HG2  THR  73          3HG2      THR  73  -7.485  12.182  -1.650
  594    H    THR  74           H        THR  74  -3.316  14.583   0.124
  595    HA   THR  74           HA       THR  74  -3.861  12.409   1.869
  596    HB   THR  74           HB       THR  74  -1.110  12.157   1.861
  597    HG1  THR  74           1HG      THR  74  -0.582  12.748  -0.113
  598   1HG2  THR  74          1HG2      THR  74  -2.595  10.316   2.274
  599   2HG2  THR  74          2HG2      THR  74  -1.561   9.900   0.905
  600   3HG2  THR  74          3HG2      THR  74  -3.230  10.401   0.630
  601    H    SER  75           H        SER  75  -1.340  12.600   3.321
  602    HA   SER  75           HA       SER  75  -1.546  15.367   4.312
  603   1HB   SER  75          2HB       SER  75  -1.012  14.465   6.565
  604   2HB   SER  75          1HB       SER  75  -2.532  13.840   5.927
  605    HG   SER  75           HG       SER  75  -0.743  12.371   6.888
  606    H    THR  76           H        THR  76   0.490  15.693   5.907
  607    HA   THR  76           HA       THR  76   2.785  15.489   4.151
  608    HB   THR  76           HB       THR  76   3.921  16.795   6.035
  609    HG1  THR  76           1HG      THR  76   1.514  17.683   6.983
  610   1HG2  THR  76          1HG2      THR  76   2.826  18.897   5.391
  611   2HG2  THR  76          2HG2      THR  76   1.493  17.982   4.687
  612   3HG2  THR  76          3HG2      THR  76   3.110  17.859   3.993
  613    H    SER  77           H        SER  77   2.208  14.740   7.593
  614    HA   SER  77           HA       SER  77   3.777  12.304   7.311
  615   1HB   SER  77          2HB       SER  77   5.312  12.809   9.075
  616   2HB   SER  77          1HB       SER  77   5.352  14.174   7.959
  617    HG   SER  77           HG       SER  77   4.579  14.081  10.575
  618    H    THR  78           H        THR  78   3.856  11.194   9.596
  619    HA   THR  78           HA       THR  78   1.320  11.613  11.008
  620    HB   THR  78           HB       THR  78   2.224   8.816  10.410
  621    HG1  THR  78           1HG      THR  78   0.215   9.608   8.783
  622   1HG2  THR  78          1HG2      THR  78  -0.396  10.123  11.127
  623   2HG2  THR  78          2HG2      THR  78   0.540   8.976  12.086
  624   3HG2  THR  78          3HG2      THR  78  -0.264   8.443  10.609
  625    HA   PRO  79           HA       PRO  79   5.069  11.312  13.835
  626   1HB   PRO  79          2HB       PRO  79   3.191  13.070  15.340
  627   2HB   PRO  79          1HB       PRO  79   4.940  13.212  15.127
  628   1HG   PRO  79          2HG       PRO  79   3.281  14.796  13.782
  629   2HG   PRO  79          1HG       PRO  79   4.739  14.143  13.010
  630   1HD   PRO  79          2HD       PRO  79   1.888  13.318  12.686
  631   2HD   PRO  79          1HD       PRO  79   3.192  13.376  11.482
  632    H    GLY  80           H        GLY  80   1.588  11.085  14.402
  633   1HA   GLY  80          2HA       GLY  80   1.896   9.599  16.853
  634   2HA   GLY  80          1HA       GLY  80   0.389   9.916  16.006
  635    H    SER  81           H        SER  81   2.864   7.653  16.630
  636    HA   SER  81           HA       SER  81   1.419   5.650  15.080
  637   1HB   SER  81          2HB       SER  81   3.475   6.688  13.807
  638   2HB   SER  81          1HB       SER  81   4.407   5.634  14.870
  639    HG   SER  81           HG       SER  81   3.720   3.947  13.803
  640    H    ARG  82           H        ARG  82   1.855   3.473  15.738
  641    HA   ARG  82           HA       ARG  82   2.083   1.857  17.317
  642   1HB   ARG  82          2HB       ARG  82   4.595   3.418  17.457
  643   2HB   ARG  82          1HB       ARG  82   4.273   2.351  18.816
  644   1HG   ARG  82          2HG       ARG  82   3.746   0.700  16.736
  645   2HG   ARG  82          1HG       ARG  82   5.017   1.718  16.052
  646   1HD   ARG  82          2HD       ARG  82   5.750   1.025  18.711
  647   2HD   ARG  82          1HD       ARG  82   5.266  -0.446  17.869
  648    HE   ARG  82           HE       ARG  82   6.904   0.627  16.079
  649   1HH1  ARG  82          1HH1      ARG  82   7.262   0.291  19.529
  650   2HH1  ARG  82          2HH1      ARG  82   8.988   0.167  19.467
  651   1HH2  ARG  82          1HH2      ARG  82   9.178   0.466  15.990
  652   2HH2  ARG  82          2HH2      ARG  82  10.077   0.266  17.456
  653    H    SER  83           H        SER  83   3.725   3.926  19.561
  654    HA   SER  83           HA       SER  83   3.188   4.691  21.629
  655   1HB   SER  83          2HB       SER  83   0.365   5.030  20.623
  656   2HB   SER  83          1HB       SER  83   1.199   5.970  21.859
  657    HG   SER  83           HG       SER  83   1.104   6.390  19.221
  658    H    HIS  84           H        HIS  84   2.452   1.814  20.678
  659    HA   HIS  84           HA       HIS  84   1.549  -0.084  21.553
  660   1HB   HIS  84          2HB       HIS  84   2.393   1.524  23.924
  661   2HB   HIS  84          1HB       HIS  84   1.477   0.045  24.197
  662    HD2  HIS  84           2HD      HIS  84   4.802   1.034  22.306
  663    HE1  HIS  84           1HE      HIS  84   5.092  -2.900  23.836
  664    HE2  HIS  84           2HE      HIS  84   6.362  -0.987  22.763
  665    H    HIS  85           H        HIS  85  -0.337   1.901  20.713
  666    HA   HIS  85           HA       HIS  85  -2.565   2.348  20.767
  667   1HB   HIS  85          2HB       HIS  85  -2.645  -0.157  22.464
  668   2HB   HIS  85          1HB       HIS  85  -4.042   0.612  21.720
  669    HD2  HIS  85           2HD      HIS  85  -0.810  -1.321  20.609
  670    HE1  HIS  85           1HE      HIS  85  -3.695  -1.434  17.514
  671    HE2  HIS  85           2HE      HIS  85  -1.360  -2.136  18.208
  672    H    HIS  86           H        HIS  86  -2.308   4.287  21.930
  673    HA   HIS  86           HA       HIS  86  -3.204   4.120  24.730
  674   1HB   HIS  86          2HB       HIS  86  -0.716   4.961  23.985
  675   2HB   HIS  86          1HB       HIS  86  -1.598   6.483  24.014
  676    HD2  HIS  86           2HD      HIS  86  -3.304   6.328  26.647
  677    HE1  HIS  86           1HE      HIS  86   0.259   5.070  28.551
  678    HE2  HIS  86           2HE      HIS  86  -2.004   6.162  28.885
  679    H    HIS  87           H        HIS  87  -4.921   4.371  22.524
  680    HA   HIS  87           HA       HIS  87  -6.176   6.908  23.175
  681   1HB   HIS  87          2HB       HIS  87  -6.591   7.151  20.580
  682   2HB   HIS  87          1HB       HIS  87  -5.132   7.797  21.325
  683    HD2  HIS  87           2HD      HIS  87  -6.169   4.559  19.324
  684    HE1  HIS  87           1HE      HIS  87  -2.061   5.395  18.736
  685    HE2  HIS  87           2HE      HIS  87  -3.949   3.780  18.229
  686    H    HIS  88           H        HIS  88  -8.390   7.054  22.188
  687    HA   HIS  88           HA       HIS  88  -9.609   4.379  22.166
  688   1HB   HIS  88          2HB       HIS  88 -10.575   7.070  23.066
  689   2HB   HIS  88          1HB       HIS  88 -11.743   5.839  22.591
  690    HD2  HIS  88           2HD      HIS  88 -11.883   3.595  24.268
  691    HE1  HIS  88           1HE      HIS  88  -9.555   5.362  27.330
  692    HE2  HIS  88           2HE      HIS  88 -11.207   3.521  26.773
  693    H    HIS  89           H        HIS  89 -11.437   4.012  20.745
  694    HA   HIS  89           HA       HIS  89 -10.912   4.773  18.083
  695   1HB   HIS  89          2HB       HIS  89 -12.169   2.697  19.012
  696   2HB   HIS  89          1HB       HIS  89 -13.587   3.738  18.983
  697    HD2  HIS  89           2HD      HIS  89 -14.588   1.979  16.988
  698    HE1  HIS  89           1HE      HIS  89 -11.963   3.470  14.021
  699    HE2  HIS  89           2HE      HIS  89 -13.921   1.925  14.482
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  -6.209 -33.685  10.107
    2   2H    MET   1          2HT       MET   1  -6.276 -34.168   8.487
    3   3H    MET   1          3HT       MET   1  -5.025 -34.719   9.482
    4    HA   MET   1           HA       MET   1  -6.565 -36.489   9.224
    5   1HB   MET   1          2HB       MET   1  -6.591 -35.057  11.873
    6   2HB   MET   1          1HB       MET   1  -7.375 -36.618  11.671
    7   1HG   MET   1          2HG       MET   1  -5.203 -37.538  10.892
    8   2HG   MET   1          1HG       MET   1  -4.459 -35.990  11.287
    9   1HE   MET   1          1HE       MET   1  -5.945 -39.346  12.691
   10   2HE   MET   1          2HE       MET   1  -7.213 -38.163  13.016
   11   3HE   MET   1          3HE       MET   1  -6.320 -38.887  14.352
   12    H    ARG   2           H        ARG   2  -8.274 -36.236   7.819
   13    HA   ARG   2           HA       ARG   2 -10.412 -35.908   7.115
   14   1HB   ARG   2          2HB       ARG   2 -10.552 -37.191   9.517
   15   2HB   ARG   2          1HB       ARG   2 -11.561 -35.785   9.824
   16   1HG   ARG   2          2HG       ARG   2 -12.803 -36.369   7.705
   17   2HG   ARG   2          1HG       ARG   2 -11.925 -37.900   7.725
   18   1HD   ARG   2          2HD       ARG   2 -13.321 -38.741   9.234
   19   2HD   ARG   2          1HD       ARG   2 -13.036 -37.378  10.316
   20    HE   ARG   2           HE       ARG   2 -14.894 -36.266   9.348
   21   1HH1  ARG   2          1HH1      ARG   2 -14.443 -39.515   8.174
   22   2HH1  ARG   2          2HH1      ARG   2 -16.057 -39.655   7.563
   23   1HH2  ARG   2          1HH2      ARG   2 -17.022 -36.442   8.547
   24   2HH2  ARG   2          2HH2      ARG   2 -17.523 -37.910   7.775
   25    H    GLY   3           H        GLY   3  -9.367 -33.642   6.774
   26   1HA   GLY   3          2HA       GLY   3 -11.078 -31.667   8.155
   27   2HA   GLY   3          1HA       GLY   3  -9.413 -31.330   7.709
   28    H    SER   4           H        SER   4 -10.145 -29.500   6.528
   29    HA   SER   4           HA       SER   4 -11.719 -30.064   4.123
   30   1HB   SER   4          2HB       SER   4 -10.939 -27.489   5.495
   31   2HB   SER   4          1HB       SER   4 -11.711 -27.530   3.910
   32    HG   SER   4           HG       SER   4 -13.149 -29.088   5.434
   33    H    ASN   5           H        ASN   5 -10.761 -27.938   2.539
   34    HA   ASN   5           HA       ASN   5  -8.116 -28.994   1.804
   35   1HB   ASN   5          2HB       ASN   5 -10.340 -27.792   0.171
   36   2HB   ASN   5          1HB       ASN   5  -8.698 -27.905  -0.457
   37   1HD2  ASN   5          1HD2      ASN   5  -8.954 -29.408  -1.996
   38   2HD2  ASN   5          2HD2      ASN   5  -9.494 -31.024  -1.711
   39    H    ALA   6           H        ALA   6  -9.049 -26.665   3.649
   40    HA   ALA   6           HA       ALA   6  -7.070 -24.758   2.608
   41   1HB   ALA   6          1HB       ALA   6  -9.809 -24.260   2.660
   42   2HB   ALA   6          2HB       ALA   6  -8.518 -23.079   2.443
   43   3HB   ALA   6          3HB       ALA   6  -9.163 -23.394   4.054
   44    HA   PRO   7           HA       PRO   7  -6.177 -25.956   7.012
   45   1HB   PRO   7          2HB       PRO   7  -3.396 -25.869   6.073
   46   2HB   PRO   7          1HB       PRO   7  -4.263 -27.175   6.884
   47   1HG   PRO   7          2HG       PRO   7  -3.564 -27.321   4.288
   48   2HG   PRO   7          1HG       PRO   7  -5.053 -28.059   4.909
   49   1HD   PRO   7          2HD       PRO   7  -4.691 -25.487   3.415
   50   2HD   PRO   7          1HD       PRO   7  -5.955 -26.723   3.241
   51    H    GLN   8           H        GLN   8  -4.279 -23.772   4.932
   52    HA   GLN   8           HA       GLN   8  -4.534 -21.682   6.955
   53   1HB   GLN   8          2HB       GLN   8  -2.165 -21.164   6.942
   54   2HB   GLN   8          1HB       GLN   8  -2.396 -22.838   7.427
   55   1HG   GLN   8          2HG       GLN   8  -1.876 -22.230   4.562
   56   2HG   GLN   8          1HG       GLN   8  -0.539 -22.170   5.711
   57   1HE2  GLN   8          1HE2      GLN   8  -0.652 -24.154   7.286
   58   2HE2  GLN   8          2HE2      GLN   8  -0.802 -25.681   6.493
   59    HA   PRO   9           HA       PRO   9  -5.165 -19.078   3.448
   60   1HB   PRO   9          2HB       PRO   9  -4.108 -16.718   4.334
   61   2HB   PRO   9          1HB       PRO   9  -5.677 -17.343   4.854
   62   1HG   PRO   9          2HG       PRO   9  -3.030 -17.480   6.239
   63   2HG   PRO   9          1HG       PRO   9  -4.633 -17.138   6.916
   64   1HD   PRO   9          2HD       PRO   9  -3.464 -19.559   7.142
   65   2HD   PRO   9          1HD       PRO   9  -5.222 -19.371   6.979
   66    H    SER  10           H        SER  10  -3.978 -19.547   1.694
   67    HA   SER  10           HA       SER  10  -1.127 -19.508   1.662
   68   1HB   SER  10          2HB       SER  10  -3.192 -20.497  -0.003
   69   2HB   SER  10          1HB       SER  10  -2.223 -19.402  -0.990
   70    HG   SER  10           HG       SER  10  -0.969 -21.309   0.655
   71    H    HIS  11           H        HIS  11  -0.282 -17.523   2.090
   72    HA   HIS  11           HA       HIS  11  -0.391 -15.574  -0.032
   73   1HB   HIS  11          2HB       HIS  11  -1.804 -15.166   2.535
   74   2HB   HIS  11          1HB       HIS  11  -0.815 -13.819   1.984
   75    HD2  HIS  11           2HD      HIS  11  -1.480 -13.608  -1.088
   76    HE1  HIS  11           1HE      HIS  11  -5.542 -13.826   0.079
   77    HE2  HIS  11           2HE      HIS  11  -3.932 -13.035  -1.713
   78    H    ILE  12           H        ILE  12   0.936 -13.526   0.801
   79    HA   ILE  12           HA       ILE  12   3.545 -14.510   1.415
   80    HB   ILE  12           HB       ILE  12   3.382 -12.627  -0.058
   81   1HG1  ILE  12          2HG1      ILE  12   4.427 -10.907   1.969
   82   2HG1  ILE  12          1HG1      ILE  12   4.911 -12.556   2.355
   83   1HG2  ILE  12          1HG2      ILE  12   2.544 -10.412   0.841
   84   2HG2  ILE  12          2HG2      ILE  12   1.849 -11.328   2.178
   85   3HG2  ILE  12          3HG2      ILE  12   1.321 -11.643   0.524
   86   1HD1  ILE  12          1HD1      ILE  12   6.048 -12.807   0.310
   87   2HD1  ILE  12          2HD1      ILE  12   6.502 -11.221   0.934
   88   3HD1  ILE  12          3HD1      ILE  12   5.314 -11.351  -0.363
   89    H    SER  13           H        SER  13   4.838 -14.035   3.238
   90    HA   SER  13           HA       SER  13   3.720 -14.383   5.727
   91   1HB   SER  13          2HB       SER  13   6.321 -13.869   4.689
   92   2HB   SER  13          1HB       SER  13   6.067 -12.783   6.056
   93    HG   SER  13           HG       SER  13   5.725 -14.511   7.371
   94    H    LYS  14           H        LYS  14   4.747 -11.307   4.252
   95    HA   LYS  14           HA       LYS  14   2.584  -9.859   5.352
   96   1HB   LYS  14          2HB       LYS  14   3.692  -8.502   6.998
   97   2HB   LYS  14          1HB       LYS  14   3.925 -10.192   7.422
   98   1HG   LYS  14          2HG       LYS  14   6.080  -9.282   5.759
   99   2HG   LYS  14          1HG       LYS  14   5.877  -8.215   7.151
  100   1HD   LYS  14          2HD       LYS  14   5.968 -10.150   8.647
  101   2HD   LYS  14          1HD       LYS  14   6.162 -11.218   7.256
  102   1HE   LYS  14          2HE       LYS  14   8.105  -9.108   7.160
  103   2HE   LYS  14          1HE       LYS  14   8.173  -9.918   8.724
  104   1HZ   LYS  14          1HZ       LYS  14   9.372 -10.785   6.463
  105   2HZ   LYS  14          2HZ       LYS  14   7.967 -11.725   6.495
  106   3HZ   LYS  14          3HZ       LYS  14   9.029 -11.749   7.811
  107    H    TYR  15           H        TYR  15   2.404  -7.822   4.505
  108    HA   TYR  15           HA       TYR  15   4.362  -7.112   2.431
  109   1HB   TYR  15          2HB       TYR  15   1.581  -7.345   2.363
  110   2HB   TYR  15          1HB       TYR  15   1.865  -5.610   2.420
  111    HD1  TYR  15           1HD      TYR  15   1.173  -8.110   0.245
  112    HD2  TYR  15           2HD      TYR  15   4.053  -5.023   0.775
  113    HE1  TYR  15           1HE      TYR  15   1.606  -8.107  -2.176
  114    HE2  TYR  15           2HE      TYR  15   4.496  -5.013  -1.644
  115    HH   TYR  15           HH       TYR  15   2.866  -5.814  -3.816
  116    H    ILE  16           H        ILE  16   5.347  -5.094   2.430
  117    HA   ILE  16           HA       ILE  16   4.709  -3.361   4.727
  118    HB   ILE  16           HB       ILE  16   7.365  -3.977   3.453
  119   1HG1  ILE  16          2HG1      ILE  16   6.574  -5.386   5.329
  120   2HG1  ILE  16          1HG1      ILE  16   8.023  -4.477   5.748
  121   1HG2  ILE  16          1HG2      ILE  16   7.046  -1.495   3.662
  122   2HG2  ILE  16          2HG2      ILE  16   8.389  -2.147   4.600
  123   3HG2  ILE  16          3HG2      ILE  16   6.876  -1.725   5.403
  124   1HD1  ILE  16          1HD1      ILE  16   6.951  -3.820   7.571
  125   2HD1  ILE  16          2HD1      ILE  16   5.422  -4.473   6.985
  126   3HD1  ILE  16          3HD1      ILE  16   5.918  -2.842   6.529
  127    H    LEU  17           H        LEU  17   3.961  -1.420   4.252
  128    HA   LEU  17           HA       LEU  17   4.360  -0.400   1.525
  129   1HB   LEU  17          2HB       LEU  17   2.030  -0.664   2.104
  130   2HB   LEU  17          1HB       LEU  17   2.257   0.221   3.600
  131    HG   LEU  17           HG       LEU  17   2.864   2.230   2.151
  132   1HD1  LEU  17          1HD1      LEU  17   3.056   0.606   0.105
  133   2HD1  LEU  17          2HD1      LEU  17   2.454   2.251  -0.102
  134   3HD1  LEU  17          3HD1      LEU  17   1.322   0.900  -0.021
  135   1HD2  LEU  17          1HD2      LEU  17   0.304   1.077   2.827
  136   2HD2  LEU  17          2HD2      LEU  17   0.193   2.104   1.397
  137   3HD2  LEU  17          3HD2      LEU  17   0.840   2.756   2.903
  138    H    ARG  18           H        ARG  18   5.937   1.030   1.372
  139    HA   ARG  18           HA       ARG  18   6.419   2.852   3.633
  140   1HB   ARG  18          2HB       ARG  18   8.668   2.979   2.008
  141   2HB   ARG  18          1HB       ARG  18   8.532   2.103   3.527
  142   1HG   ARG  18          2HG       ARG  18   7.472   0.304   1.802
  143   2HG   ARG  18          1HG       ARG  18   8.657   1.105   0.772
  144   1HD   ARG  18          2HD       ARG  18   9.172  -0.967   2.486
  145   2HD   ARG  18          1HD       ARG  18  10.376   0.136   1.822
  146    HE   ARG  18           HE       ARG  18   9.137   0.389   4.484
  147   1HH1  ARG  18          1HH1      ARG  18  11.740   1.015   2.251
  148   2HH1  ARG  18          2HH1      ARG  18  12.766   1.731   3.448
  149   1HH2  ARG  18          1HH2      ARG  18  10.484   1.328   6.067
  150   2HH2  ARG  18          2HH2      ARG  18  12.052   1.908   5.617
  151    H    TRP  19           H        TRP  19   6.115   4.976   3.279
  152    HA   TRP  19           HA       TRP  19   6.424   6.071   0.631
  153   1HB   TRP  19          2HB       TRP  19   4.188   6.774   0.265
  154   2HB   TRP  19          1HB       TRP  19   4.112   5.067   0.676
  155    HD1  TRP  19           HD       TRP  19   2.695   8.358   1.608
  156    HE1  TRP  19           1HE      TRP  19   1.189   8.138   3.682
  157    HE3  TRP  19           3HE      TRP  19   4.018   3.643   3.064
  158    HZ2  TRP  19           2HZ      TRP  19   0.631   6.213   5.669
  159    HZ3  TRP  19           3HZ      TRP  19   2.946   2.683   5.060
  160    HH2  TRP  19           HH       TRP  19   1.288   3.942   6.335
  161    H    ARG  20           H        ARG  20   6.543   8.293   0.543
  162    HA   ARG  20           HA       ARG  20   6.190   9.866   2.957
  163   1HB   ARG  20          2HB       ARG  20   8.354  10.156   3.480
  164   2HB   ARG  20          1HB       ARG  20   8.693   8.794   2.426
  165   1HG   ARG  20          2HG       ARG  20   8.489  11.331   0.999
  166   2HG   ARG  20          1HG       ARG  20   9.770  11.301   2.210
  167   1HD   ARG  20          2HD       ARG  20  11.033  10.196   0.757
  168   2HD   ARG  20          1HD       ARG  20   9.918   8.838   0.894
  169    HE   ARG  20           HE       ARG  20   8.662  10.126  -0.959
  170   1HH1  ARG  20          1HH1      ARG  20  12.120   9.945  -0.587
  171   2HH1  ARG  20          2HH1      ARG  20  12.443  10.121  -2.279
  172   1HH2  ARG  20          1HH2      ARG  20   9.077  10.359  -3.193
  173   2HH2  ARG  20          2HH2      ARG  20  10.714  10.357  -3.759
  174    HA   PRO  21           HA       PRO  21   4.961  13.070   0.202
  175   1HB   PRO  21          2HB       PRO  21   6.921  14.920   1.462
  176   2HB   PRO  21          1HB       PRO  21   5.174  15.095   1.265
  177   1HG   PRO  21          2HG       PRO  21   6.195  14.506   3.646
  178   2HG   PRO  21          1HG       PRO  21   4.699  13.733   3.091
  179   1HD   PRO  21          2HD       PRO  21   7.486  12.641   3.173
  180   2HD   PRO  21          1HD       PRO  21   5.952  11.850   3.582
  181    H    LYS  22           H        LYS  22   5.516  12.978  -1.855
  182    HA   LYS  22           HA       LYS  22   8.156  12.672  -2.809
  183   1HB   LYS  22          2HB       LYS  22   5.762  12.146  -3.855
  184   2HB   LYS  22          1HB       LYS  22   6.031  13.709  -4.615
  185   1HG   LYS  22          2HG       LYS  22   8.416  12.286  -4.955
  186   2HG   LYS  22          1HG       LYS  22   7.114  11.141  -5.289
  187   1HD   LYS  22          2HD       LYS  22   7.119  12.046  -7.342
  188   2HD   LYS  22          1HD       LYS  22   6.235  13.373  -6.586
  189   1HE   LYS  22          2HE       LYS  22   7.928  14.791  -6.900
  190   2HE   LYS  22          1HE       LYS  22   9.096  13.650  -6.233
  191   1HZ   LYS  22          1HZ       LYS  22   8.077  13.655  -9.024
  192   2HZ   LYS  22          2HZ       LYS  22   9.191  12.552  -8.388
  193   3HZ   LYS  22          3HZ       LYS  22   9.605  14.186  -8.527
  194    H    ASN  23           H        ASN  23   6.042  15.473  -2.485
  195    HA   ASN  23           HA       ASN  23   8.063  17.189  -3.717
  196   1HB   ASN  23          2HB       ASN  23   5.382  17.232  -3.984
  197   2HB   ASN  23          1HB       ASN  23   5.560  18.364  -2.647
  198   1HD2  ASN  23          1HD2      ASN  23   6.040  17.805  -6.003
  199   2HD2  ASN  23          2HD2      ASN  23   6.591  19.390  -6.412
  200    H    SER  24           H        SER  24   6.306  16.799  -0.666
  201    HA   SER  24           HA       SER  24   7.847  18.898   0.601
  202   1HB   SER  24          2HB       SER  24   5.335  17.749   1.056
  203   2HB   SER  24          1HB       SER  24   6.317  17.260   2.436
  204    HG   SER  24           HG       SER  24   5.219  19.634   1.946
  205    H    VAL  25           H        VAL  25   8.881  18.446   2.744
  206    HA   VAL  25           HA       VAL  25  10.507  16.010   2.527
  207    HB   VAL  25           HB       VAL  25  11.666  18.234   2.554
  208   1HG1  VAL  25          1HG1      VAL  25  11.095  19.763   4.056
  209   2HG1  VAL  25          2HG1      VAL  25  11.686  18.709   5.340
  210   3HG1  VAL  25          3HG1      VAL  25  10.000  18.620   4.833
  211   1HG2  VAL  25          1HG2      VAL  25  12.302  15.851   3.919
  212   2HG2  VAL  25          2HG2      VAL  25  12.828  17.185   4.944
  213   3HG2  VAL  25          3HG2      VAL  25  13.408  17.069   3.283
  214    H    GLY  26           H        GLY  26  10.960  14.754   4.401
  215   1HA   GLY  26          2HA       GLY  26  10.048  15.158   6.972
  216   2HA   GLY  26          1HA       GLY  26   8.704  14.416   6.116
  217    H    ARG  27           H        ARG  27   8.595  12.343   6.638
  218    HA   ARG  27           HA       ARG  27  11.017  10.716   6.397
  219   1HB   ARG  27          2HB       ARG  27  10.534   9.521   8.463
  220   2HB   ARG  27          1HB       ARG  27  10.759  11.234   8.787
  221   1HG   ARG  27          2HG       ARG  27   8.052  11.050   8.385
  222   2HG   ARG  27          1HG       ARG  27   8.432   9.538   9.210
  223   1HD   ARG  27          2HD       ARG  27   9.654  10.877  10.929
  224   2HD   ARG  27          1HD       ARG  27   9.044  12.335  10.146
  225    HE   ARG  27           HE       ARG  27   7.034  11.979  11.163
  226   1HH1  ARG  27          1HH1      ARG  27   8.831   8.992  11.179
  227   2HH1  ARG  27          2HH1      ARG  27   7.670   8.150  12.149
  228   1HH2  ARG  27          1HH2      ARG  27   5.500  10.875  12.441
  229   2HH2  ARG  27          2HH2      ARG  27   5.778   9.218  12.864
  230    H    TRP  28           H        TRP  28  10.441   8.331   6.464
  231    HA   TRP  28           HA       TRP  28   8.267   7.897   4.612
  232   1HB   TRP  28          2HB       TRP  28  10.361   6.073   5.796
  233   2HB   TRP  28          1HB       TRP  28   9.099   5.501   4.711
  234    HD1  TRP  28           HD       TRP  28  12.109   7.928   4.710
  235    HE1  TRP  28           1HE      TRP  28  12.988   8.104   2.297
  236    HE3  TRP  28           3HE      TRP  28   8.542   5.135   2.342
  237    HZ2  TRP  28           2HZ      TRP  28  12.264   7.179  -0.271
  238    HZ3  TRP  28           3HZ      TRP  28   8.708   4.829  -0.093
  239    HH2  TRP  28           HH       TRP  28  10.531   5.832  -1.372
  240    H    LYS  29           H        LYS  29   6.954   5.793   4.995
  241    HA   LYS  29           HA       LYS  29   6.162   5.513   7.801
  242   1HB   LYS  29          2HB       LYS  29   4.685   7.023   5.984
  243   2HB   LYS  29          1HB       LYS  29   3.862   5.470   6.017
  244   1HG   LYS  29          2HG       LYS  29   2.951   5.913   7.988
  245   2HG   LYS  29          1HG       LYS  29   4.516   6.340   8.683
  246   1HD   LYS  29          2HD       LYS  29   3.264   8.297   6.841
  247   2HD   LYS  29          1HD       LYS  29   2.530   8.101   8.435
  248   1HE   LYS  29          2HE       LYS  29   4.267   9.067   9.493
  249   2HE   LYS  29          1HE       LYS  29   5.460   8.319   8.432
  250   1HZ   LYS  29          1HZ       LYS  29   3.782  10.392   7.259
  251   2HZ   LYS  29          2HZ       LYS  29   5.423  10.058   7.013
  252   3HZ   LYS  29          3HZ       LYS  29   4.930  10.904   8.393
  253    H    GLU  30           H        GLU  30   5.600   3.437   8.342
  254    HA   GLU  30           HA       GLU  30   5.549   1.497   6.123
  255   1HB   GLU  30          2HB       GLU  30   6.779   1.253   8.864
  256   2HB   GLU  30          1HB       GLU  30   6.514  -0.127   7.807
  257   1HG   GLU  30          2HG       GLU  30   7.972   0.842   6.131
  258   2HG   GLU  30          1HG       GLU  30   8.198   2.276   7.133
  259    H    ALA  31           H        ALA  31   3.932   0.091   6.018
  260    HA   ALA  31           HA       ALA  31   2.216  -0.354   8.351
  261   1HB   ALA  31          1HB       ALA  31   0.274  -0.241   6.575
  262   2HB   ALA  31          2HB       ALA  31   1.395   0.842   5.749
  263   3HB   ALA  31          3HB       ALA  31   0.850   1.217   7.384
  264    H    THR  32           H        THR  32   2.133  -2.490   8.653
  265    HA   THR  32           HA       THR  32   2.773  -4.282   6.473
  266    HB   THR  32           HB       THR  32   2.129  -4.929   9.352
  267    HG1  THR  32           1HG      THR  32   4.418  -5.157   9.497
  268   1HG2  THR  32          1HG2      THR  32   3.448  -6.667   7.262
  269   2HG2  THR  32          2HG2      THR  32   1.744  -6.782   7.705
  270   3HG2  THR  32          3HG2      THR  32   2.992  -7.125   8.904
  271    H    ILE  33           H        ILE  33   1.425  -5.488   5.347
  272    HA   ILE  33           HA       ILE  33  -1.317  -5.889   6.315
  273    HB   ILE  33           HB       ILE  33  -0.748  -5.349   3.408
  274   1HG1  ILE  33          2HG1      ILE  33  -2.088  -3.119   4.402
  275   2HG1  ILE  33          1HG1      ILE  33  -0.841  -3.438   5.603
  276   1HG2  ILE  33          1HG2      ILE  33  -2.901  -5.809   3.129
  277   2HG2  ILE  33          2HG2      ILE  33  -3.357  -4.625   4.353
  278   3HG2  ILE  33          3HG2      ILE  33  -2.980  -6.283   4.826
  279   1HD1  ILE  33          1HD1      ILE  33  -0.485  -1.957   3.376
  280   2HD1  ILE  33          2HD1      ILE  33   0.071  -3.536   2.819
  281   3HD1  ILE  33          3HD1      ILE  33   0.810  -2.791   4.236
  282    HA   PRO  34           HA       PRO  34   0.325 -10.024   5.439
  283   1HB   PRO  34          2HB       PRO  34  -2.377 -10.756   6.415
  284   2HB   PRO  34          1HB       PRO  34  -0.798 -11.343   6.939
  285   1HG   PRO  34          2HG       PRO  34  -2.198  -9.663   8.458
  286   2HG   PRO  34          1HG       PRO  34  -0.435  -9.513   8.320
  287   1HD   PRO  34          2HD       PRO  34  -2.584  -7.898   6.999
  288   2HD   PRO  34          1HD       PRO  34  -1.043  -7.363   7.702
  289    H    GLY  35           H        GLY  35   0.265  -9.739   3.163
  290   1HA   GLY  35          2HA       GLY  35  -0.447 -10.246   1.043
  291   2HA   GLY  35          1HA       GLY  35  -1.546 -11.389   1.798
  292    H    HIS  36           H        HIS  36  -3.674 -10.815   2.166
  293    HA   HIS  36           HA       HIS  36  -4.624  -8.153   1.647
  294   1HB   HIS  36          2HB       HIS  36  -4.360  -9.832  -0.571
  295   2HB   HIS  36          1HB       HIS  36  -6.068  -9.917  -0.151
  296    HD2  HIS  36           2HD      HIS  36  -7.227  -8.257  -1.907
  297    HE1  HIS  36           1HE      HIS  36  -4.579  -4.996  -1.387
  298    HE2  HIS  36           2HE      HIS  36  -6.598  -5.855  -2.658
  299    H    LEU  37           H        LEU  37  -5.601  -8.273   3.648
  300    HA   LEU  37           HA       LEU  37  -7.191 -10.467   4.482
  301   1HB   LEU  37          2HB       LEU  37  -8.144  -8.439   6.015
  302   2HB   LEU  37          1HB       LEU  37  -6.729  -9.395   6.391
  303    HG   LEU  37           HG       LEU  37  -6.488  -6.913   6.686
  304   1HD1  LEU  37          1HD1      LEU  37  -4.247  -6.903   6.080
  305   2HD1  LEU  37          2HD1      LEU  37  -4.520  -7.934   4.676
  306   3HD1  LEU  37          3HD1      LEU  37  -4.620  -8.613   6.301
  307   1HD2  LEU  37          1HD2      LEU  37  -5.852  -6.347   3.937
  308   2HD2  LEU  37          2HD2      LEU  37  -6.903  -5.474   5.052
  309   3HD2  LEU  37          3HD2      LEU  37  -7.544  -6.817   4.106
  310    H    ASN  38           H        ASN  38  -7.878  -7.492   2.778
  311    HA   ASN  38           HA       ASN  38 -10.102  -8.320   1.434
  312   1HB   ASN  38          2HB       ASN  38 -10.758  -7.792   4.204
  313   2HB   ASN  38          1HB       ASN  38 -11.637  -6.700   3.138
  314   1HD2  ASN  38          1HD2      ASN  38 -12.533  -7.881   1.133
  315   2HD2  ASN  38          2HD2      ASN  38 -13.370  -9.356   1.464
  316    H    SER  39           H        SER  39 -10.293  -5.378   3.372
  317    HA   SER  39           HA       SER  39  -9.464  -3.823   1.016
  318   1HB   SER  39          2HB       SER  39 -11.764  -3.171   2.875
  319   2HB   SER  39          1HB       SER  39 -11.207  -2.165   1.538
  320    HG   SER  39           HG       SER  39 -11.772  -4.778   0.869
  321    H    TYR  40           H        TYR  40  -7.715  -2.671   1.475
  322    HA   TYR  40           HA       TYR  40  -7.376  -1.678   4.228
  323   1HB   TYR  40          2HB       TYR  40  -5.692  -3.380   3.469
  324   2HB   TYR  40          1HB       TYR  40  -5.172  -2.235   2.237
  325    HD1  TYR  40           1HD      TYR  40  -5.311  -2.887   5.860
  326    HD2  TYR  40           2HD      TYR  40  -3.793  -0.354   2.796
  327    HE1  TYR  40           1HE      TYR  40  -3.779  -1.855   7.480
  328    HE2  TYR  40           2HE      TYR  40  -2.256   0.685   4.409
  329    HH   TYR  40           HH       TYR  40  -1.403   0.568   6.477
  330    H    THR  41           H        THR  41  -7.771   0.422   4.357
  331    HA   THR  41           HA       THR  41  -6.882   2.154   2.145
  332    HB   THR  41           HB       THR  41  -9.244   2.225   2.040
  333    HG1  THR  41           1HG      THR  41  -8.298   4.309   2.030
  334   1HG2  THR  41          1HG2      THR  41 -10.366   3.045   4.352
  335   2HG2  THR  41          2HG2      THR  41  -9.058   2.042   4.981
  336   3HG2  THR  41          3HG2      THR  41 -10.245   1.351   3.874
  337    H    ILE  42           H        ILE  42  -5.550   3.768   2.668
  338    HA   ILE  42           HA       ILE  42  -4.759   4.083   5.433
  339    HB   ILE  42           HB       ILE  42  -3.655   5.014   2.828
  340   1HG1  ILE  42          2HG1      ILE  42  -2.956   2.856   3.642
  341   2HG1  ILE  42          1HG1      ILE  42  -1.623   3.977   3.823
  342   1HG2  ILE  42          1HG2      ILE  42  -3.452   7.038   3.995
  343   2HG2  ILE  42          2HG2      ILE  42  -1.899   6.238   4.231
  344   3HG2  ILE  42          3HG2      ILE  42  -3.102   6.225   5.520
  345   1HD1  ILE  42          1HD1      ILE  42  -1.449   3.249   5.904
  346   2HD1  ILE  42          2HD1      ILE  42  -3.009   2.432   5.821
  347   3HD1  ILE  42          3HD1      ILE  42  -2.931   4.143   6.240
  348    H    LYS  43           H        LYS  43  -5.408   5.662   6.755
  349    HA   LYS  43           HA       LYS  43  -6.886   7.926   5.586
  350   1HB   LYS  43          2HB       LYS  43  -8.050   8.065   7.783
  351   2HB   LYS  43          1HB       LYS  43  -8.347   6.559   6.925
  352   1HG   LYS  43          2HG       LYS  43  -6.073   6.441   8.750
  353   2HG   LYS  43          1HG       LYS  43  -7.614   6.776   9.543
  354   1HD   LYS  43          2HD       LYS  43  -8.326   4.682   9.242
  355   2HD   LYS  43          1HD       LYS  43  -7.849   4.688   7.542
  356   1HE   LYS  43          2HE       LYS  43  -6.715   2.986   9.061
  357   2HE   LYS  43          1HE       LYS  43  -5.671   3.971   8.038
  358   1HZ   LYS  43          1HZ       LYS  43  -6.232   5.010  10.698
  359   2HZ   LYS  43          2HZ       LYS  43  -4.796   5.038   9.806
  360   3HZ   LYS  43          3HZ       LYS  43  -5.251   3.632  10.627
  361    H    GLY  44           H        GLY  44  -7.018   9.670   7.602
  362   1HA   GLY  44          2HA       GLY  44  -5.863  11.217   8.860
  363   2HA   GLY  44          1HA       GLY  44  -4.539  10.067   8.969
  364    H    LEU  45           H        LEU  45  -5.972  11.406   6.028
  365    HA   LEU  45           HA       LEU  45  -3.588  13.048   5.600
  366   1HB   LEU  45          2HB       LEU  45  -4.427  11.650   3.182
  367   2HB   LEU  45          1HB       LEU  45  -2.811  11.952   3.800
  368    HG   LEU  45           HG       LEU  45  -4.100   9.943   5.414
  369   1HD1  LEU  45          1HD1      LEU  45  -5.012   9.861   2.783
  370   2HD1  LEU  45          2HD1      LEU  45  -5.088   8.565   3.976
  371   3HD1  LEU  45          3HD1      LEU  45  -3.724   8.657   2.859
  372   1HD2  LEU  45          1HD2      LEU  45  -1.629  10.495   4.895
  373   2HD2  LEU  45          2HD2      LEU  45  -1.876   9.476   3.475
  374   3HD2  LEU  45          3HD2      LEU  45  -2.108   8.808   5.093
  375    H    LYS  46           H        LYS  46  -3.976  14.020   3.147
  376    HA   LYS  46           HA       LYS  46  -6.698  14.698   2.601
  377   1HB   LYS  46          2HB       LYS  46  -6.142  17.221   2.909
  378   2HB   LYS  46          1HB       LYS  46  -6.635  16.272   4.304
  379   1HG   LYS  46          2HG       LYS  46  -4.830  17.161   5.275
  380   2HG   LYS  46          1HG       LYS  46  -3.940  15.945   4.356
  381   1HD   LYS  46          2HD       LYS  46  -2.783  17.705   3.571
  382   2HD   LYS  46          1HD       LYS  46  -4.181  17.931   2.516
  383   1HE   LYS  46          2HE       LYS  46  -4.904  19.755   3.644
  384   2HE   LYS  46          1HE       LYS  46  -4.373  19.132   5.206
  385   1HZ   LYS  46          1HZ       LYS  46  -2.200  19.752   3.434
  386   2HZ   LYS  46          2HZ       LYS  46  -2.444  20.208   5.045
  387   3HZ   LYS  46          3HZ       LYS  46  -3.155  21.101   3.797
  388    HA   PRO  47           HA       PRO  47  -5.053  15.351  -1.434
  389   1HB   PRO  47          2HB       PRO  47  -7.005  17.531  -1.811
  390   2HB   PRO  47          1HB       PRO  47  -6.836  16.009  -2.690
  391   1HG   PRO  47          2HG       PRO  47  -8.861  16.418  -0.987
  392   2HG   PRO  47          1HG       PRO  47  -8.096  14.828  -1.156
  393   1HD   PRO  47          2HD       PRO  47  -7.734  16.889   0.985
  394   2HD   PRO  47          1HD       PRO  47  -7.847  15.123   1.130
  395    H    GLY  48           H        GLY  48  -4.179  17.039  -2.904
  396   1HA   GLY  48          2HA       GLY  48  -3.302  19.218  -3.271
  397   2HA   GLY  48          1HA       GLY  48  -3.414  19.522  -1.545
  398    H    VAL  49           H        VAL  49  -2.169  16.558  -1.586
  399    HA   VAL  49           HA       VAL  49   0.609  17.534  -1.779
  400    HB   VAL  49           HB       VAL  49   0.101  15.179  -0.082
  401   1HG1  VAL  49          1HG1      VAL  49   2.292  15.798   0.016
  402   2HG1  VAL  49          2HG1      VAL  49   1.656  16.701   1.394
  403   3HG1  VAL  49          3HG1      VAL  49   1.929  17.518  -0.145
  404   1HG2  VAL  49          1HG2      VAL  49  -0.329  17.557   1.504
  405   2HG2  VAL  49          2HG2      VAL  49  -1.251  16.051   1.451
  406   3HG2  VAL  49          3HG2      VAL  49  -1.597  17.342   0.297
  407    H    VAL  50           H        VAL  50   1.787  16.566  -3.302
  408    HA   VAL  50           HA       VAL  50   0.856  14.108  -4.527
  409    HB   VAL  50           HB       VAL  50   1.735  15.631  -6.104
  410   1HG1  VAL  50          1HG1      VAL  50   2.912  17.152  -4.703
  411   2HG1  VAL  50          2HG1      VAL  50   4.052  16.555  -5.910
  412   3HG1  VAL  50          3HG1      VAL  50   4.098  15.923  -4.263
  413   1HG2  VAL  50          1HG2      VAL  50   4.195  14.360  -6.393
  414   2HG2  VAL  50          2HG2      VAL  50   2.663  13.884  -7.124
  415   3HG2  VAL  50          3HG2      VAL  50   3.165  13.175  -5.589
  416    H    TYR  51           H        TYR  51   1.162  12.369  -3.274
  417    HA   TYR  51           HA       TYR  51   3.608  12.098  -1.716
  418   1HB   TYR  51          2HB       TYR  51   0.889  11.168  -1.503
  419   2HB   TYR  51          1HB       TYR  51   1.999   9.810  -1.403
  420    HD1  TYR  51           1HD      TYR  51   3.947  10.039   0.306
  421    HD2  TYR  51           2HD      TYR  51   0.439  12.437   0.368
  422    HE1  TYR  51           1HE      TYR  51   4.345  10.551   2.679
  423    HE2  TYR  51           2HE      TYR  51   0.822  12.953   2.741
  424    HH   TYR  51           HH       TYR  51   2.527  11.338   4.723
  425    H    GLU  52           H        GLU  52   4.759  10.070  -1.675
  426    HA   GLU  52           HA       GLU  52   4.748   8.654  -4.264
  427   1HB   GLU  52          2HB       GLU  52   6.806   9.856  -4.167
  428   2HB   GLU  52          1HB       GLU  52   7.046   9.453  -2.472
  429   1HG   GLU  52          2HG       GLU  52   8.504   7.987  -3.380
  430   2HG   GLU  52          1HG       GLU  52   7.053   6.989  -3.452
  431    H    GLY  53           H        GLY  53   4.380   6.485  -4.113
  432   1HA   GLY  53          2HA       GLY  53   4.552   5.324  -1.402
  433   2HA   GLY  53          1HA       GLY  53   3.262   4.938  -2.524
  434    H    GLN  54           H        GLN  54   5.259   3.296  -1.103
  435    HA   GLN  54           HA       GLN  54   6.209   1.788  -3.437
  436   1HB   GLN  54          2HB       GLN  54   7.796   2.419  -0.944
  437   2HB   GLN  54          1HB       GLN  54   8.258   1.179  -2.102
  438   1HG   GLN  54          2HG       GLN  54   8.108   3.115  -3.827
  439   2HG   GLN  54          1HG       GLN  54   8.253   4.146  -2.405
  440   1HE2  GLN  54          1HE2      GLN  54   9.952   2.475  -0.897
  441   2HE2  GLN  54          2HE2      GLN  54  11.503   2.465  -1.658
  442    H    LEU  55           H        LEU  55   5.715  -0.343  -3.352
  443    HA   LEU  55           HA       LEU  55   4.735  -1.389  -0.776
  444   1HB   LEU  55          2HB       LEU  55   3.162  -0.992  -2.881
  445   2HB   LEU  55          1HB       LEU  55   3.800  -2.553  -3.353
  446    HG   LEU  55           HG       LEU  55   2.780  -3.658  -1.565
  447   1HD1  LEU  55          1HD1      LEU  55   1.529  -2.112   0.186
  448   2HD1  LEU  55          2HD1      LEU  55   2.828  -1.002  -0.251
  449   3HD1  LEU  55          3HD1      LEU  55   3.211  -2.597   0.397
  450   1HD2  LEU  55          1HD2      LEU  55   1.096  -1.557  -2.810
  451   2HD2  LEU  55          2HD2      LEU  55   0.409  -2.503  -1.491
  452   3HD2  LEU  55          3HD2      LEU  55   1.000  -3.313  -2.942
  453    H    ILE  56           H        ILE  56   6.273  -2.668   0.016
  454    HA   ILE  56           HA       ILE  56   7.593  -4.576  -1.804
  455    HB   ILE  56           HB       ILE  56   8.652  -3.405   0.771
  456   1HG1  ILE  56          2HG1      ILE  56  10.459  -2.618  -0.962
  457   2HG1  ILE  56          1HG1      ILE  56   9.173  -2.858  -2.140
  458   1HG2  ILE  56          1HG2      ILE  56  10.780  -4.576  -0.023
  459   2HG2  ILE  56          2HG2      ILE  56   9.727  -5.508  -1.089
  460   3HG2  ILE  56          3HG2      ILE  56   9.506  -5.587   0.660
  461   1HD1  ILE  56          1HD1      ILE  56   8.549  -1.250   0.267
  462   2HD1  ILE  56          2HD1      ILE  56   7.976  -1.083  -1.393
  463   3HD1  ILE  56          3HD1      ILE  56   9.595  -0.535  -0.958
  464    H    SER  57           H        SER  57   6.910  -6.593  -1.542
  465    HA   SER  57           HA       SER  57   5.699  -7.440   0.960
  466   1HB   SER  57          2HB       SER  57   5.022  -7.974  -1.596
  467   2HB   SER  57          1HB       SER  57   6.045  -9.370  -1.263
  468    HG   SER  57           HG       SER  57   4.512  -9.118   0.831
  469    H    ILE  58           H        ILE  58   6.742  -8.575   2.457
  470    HA   ILE  58           HA       ILE  58   9.325  -9.795   1.737
  471    HB   ILE  58           HB       ILE  58   8.421  -8.706   4.407
  472   1HG1  ILE  58          2HG1      ILE  58  10.844  -7.549   3.550
  473   2HG1  ILE  58          1HG1      ILE  58   9.781  -7.543   2.146
  474   1HG2  ILE  58          1HG2      ILE  58  10.251  -9.592   5.422
  475   2HG2  ILE  58          2HG2      ILE  58  11.222  -9.559   3.951
  476   3HG2  ILE  58          3HG2      ILE  58  10.019 -10.826   4.184
  477   1HD1  ILE  58          1HD1      ILE  58   9.797  -5.540   3.804
  478   2HD1  ILE  58          2HD1      ILE  58   8.743  -6.580   4.763
  479   3HD1  ILE  58          3HD1      ILE  58   8.277  -6.120   3.126
  480    H    GLN  59           H        GLN  59   9.481 -11.922   1.862
  481    HA   GLN  59           HA       GLN  59   7.367 -13.420   3.238
  482   1HB   GLN  59          2HB       GLN  59   8.700 -13.754   0.746
  483   2HB   GLN  59          1HB       GLN  59   9.120 -15.126   1.763
  484   1HG   GLN  59          2HG       GLN  59   6.279 -14.245   1.404
  485   2HG   GLN  59          1HG       GLN  59   7.071 -15.329   0.262
  486   1HE2  GLN  59          1HE2      GLN  59   7.319 -17.432   0.770
  487   2HE2  GLN  59          2HE2      GLN  59   6.779 -18.148   2.246
  488    H    GLN  60           H        GLN  60   8.405 -15.754   3.865
  489    HA   GLN  60           HA       GLN  60   9.956 -15.247   6.164
  490   1HB   GLN  60          2HB       GLN  60   9.480 -17.879   4.753
  491   2HB   GLN  60          1HB       GLN  60  10.067 -17.686   6.399
  492   1HG   GLN  60          2HG       GLN  60   7.569 -16.278   5.932
  493   2HG   GLN  60          1HG       GLN  60   7.446 -18.009   5.627
  494   1HE2  GLN  60          1HE2      GLN  60   5.974 -17.905   7.473
  495   2HE2  GLN  60          2HE2      GLN  60   6.630 -18.010   9.067
  496    H    TYR  61           H        TYR  61  10.801 -16.006   2.885
  497    HA   TYR  61           HA       TYR  61  13.589 -16.513   3.626
  498   1HB   TYR  61          2HB       TYR  61  12.691 -16.573   0.785
  499   2HB   TYR  61          1HB       TYR  61  13.863 -17.592   1.612
  500    HD1  TYR  61           1HD      TYR  61  12.797 -19.166   3.479
  501    HD2  TYR  61           2HD      TYR  61  10.670 -17.505   0.188
  502    HE1  TYR  61           1HE      TYR  61  11.105 -20.939   3.683
  503    HE2  TYR  61           2HE      TYR  61   8.973 -19.273   0.386
  504    HH   TYR  61           HH       TYR  61   8.673 -21.448   1.284
  505    H    GLY  62           H        GLY  62  11.721 -13.904   3.020
  506   1HA   GLY  62          2HA       GLY  62  13.021 -11.777   3.060
  507   2HA   GLY  62          1HA       GLY  62  13.938 -12.443   1.718
  508    H    HIS  63           H        HIS  63  12.834 -10.007   1.395
  509    HA   HIS  63           HA       HIS  63  10.225  -9.864   0.432
  510   1HB   HIS  63          2HB       HIS  63  10.961  -7.839  -0.773
  511   2HB   HIS  63          1HB       HIS  63  11.548  -7.868   0.887
  512    HD2  HIS  63           2HD      HIS  63  14.078  -7.057   1.005
  513    HE1  HIS  63           1HE      HIS  63  15.306  -8.450  -2.798
  514    HE2  HIS  63           2HE      HIS  63  16.068  -7.382  -0.627
  515    H    GLN  64           H        GLN  64   9.376  -9.839  -1.705
  516    HA   GLN  64           HA       GLN  64  11.000 -10.861  -3.870
  517   1HB   GLN  64          2HB       GLN  64   8.914 -12.610  -4.101
  518   2HB   GLN  64          1HB       GLN  64  10.494 -13.009  -3.440
  519   1HG   GLN  64          2HG       GLN  64   9.591 -12.405  -1.180
  520   2HG   GLN  64          1HG       GLN  64   8.002 -12.292  -1.925
  521   1HE2  GLN  64          1HE2      GLN  64  10.478 -14.376  -0.799
  522   2HE2  GLN  64          2HE2      GLN  64   9.624 -15.857  -1.025
  523    H    GLU  65           H        GLU  65   8.825  -8.755  -2.850
  524    HA   GLU  65           HA       GLU  65   7.685  -8.418  -5.520
  525   1HB   GLU  65          2HB       GLU  65   6.178  -9.509  -3.469
  526   2HB   GLU  65          1HB       GLU  65   5.737  -7.808  -3.435
  527   1HG   GLU  65          2HG       GLU  65   4.733  -7.880  -5.475
  528   2HG   GLU  65          1HG       GLU  65   5.772  -9.174  -6.067
  529    H    VAL  66           H        VAL  66   8.215  -6.431  -6.141
  530    HA   VAL  66           HA       VAL  66   7.969  -4.247  -4.194
  531    HB   VAL  66           HB       VAL  66  10.264  -4.444  -4.129
  532   1HG1  VAL  66          1HG1      VAL  66  10.415  -4.960  -7.086
  533   2HG1  VAL  66          2HG1      VAL  66  10.278  -6.238  -5.877
  534   3HG1  VAL  66          3HG1      VAL  66  11.684  -5.170  -5.881
  535   1HG2  VAL  66          1HG2      VAL  66  10.788  -2.791  -6.389
  536   2HG2  VAL  66          2HG2      VAL  66  10.699  -2.344  -4.684
  537   3HG2  VAL  66          3HG2      VAL  66   9.246  -2.310  -5.682
  538    H    THR  67           H        THR  67   6.651  -2.737  -4.931
  539    HA   THR  67           HA       THR  67   6.604  -2.148  -7.809
  540    HB   THR  67           HB       THR  67   4.079  -2.249  -6.160
  541    HG1  THR  67           1HG      THR  67   4.254  -4.350  -6.352
  542   1HG2  THR  67          1HG2      THR  67   3.188  -2.523  -8.597
  543   2HG2  THR  67          2HG2      THR  67   4.744  -1.826  -9.045
  544   3HG2  THR  67          3HG2      THR  67   3.641  -0.923  -8.008
  545    H    ARG  68           H        ARG  68   6.992  -0.062  -8.142
  546    HA   ARG  68           HA       ARG  68   6.554   1.829  -5.943
  547   1HB   ARG  68          2HB       ARG  68   8.007   2.599  -8.431
  548   2HB   ARG  68          1HB       ARG  68   8.284   3.105  -6.769
  549   1HG   ARG  68          2HG       ARG  68   9.705   1.417  -6.354
  550   2HG   ARG  68          1HG       ARG  68   8.772   0.258  -7.301
  551   1HD   ARG  68          2HD       ARG  68   9.642   1.328  -9.365
  552   2HD   ARG  68          1HD       ARG  68  10.657   2.360  -8.359
  553    HE   ARG  68           HE       ARG  68  11.097  -0.361  -7.732
  554   1HH1  ARG  68          1HH1      ARG  68  11.757   2.017 -10.192
  555   2HH1  ARG  68          2HH1      ARG  68  13.216   1.250 -10.723
  556   1HH2  ARG  68          1HH2      ARG  68  13.014  -1.376  -8.423
  557   2HH2  ARG  68          2HH2      ARG  68  13.930  -0.680  -9.717
  558    H    PHE  69           H        PHE  69   5.049   3.366  -6.035
  559    HA   PHE  69           HA       PHE  69   4.070   4.390  -8.546
  560   1HB   PHE  69          2HB       PHE  69   1.677   3.866  -7.976
  561   2HB   PHE  69          1HB       PHE  69   2.649   2.478  -8.448
  562    HD1  PHE  69           1HD      PHE  69   3.276   0.783  -6.817
  563    HD2  PHE  69           2HD      PHE  69   0.851   4.109  -5.732
  564    HE1  PHE  69           1HE      PHE  69   2.629  -0.370  -4.743
  565    HE2  PHE  69           2HE      PHE  69   0.202   2.963  -3.655
  566    HZ   PHE  69           HZ       PHE  69   1.091   0.720  -3.158
  567    H    ASP  70           H        ASP  70   3.476   6.448  -8.378
  568    HA   ASP  70           HA       ASP  70   3.394   7.626  -5.700
  569   1HB   ASP  70          2HB       ASP  70   3.217   9.743  -7.432
  570   2HB   ASP  70          1HB       ASP  70   4.725   9.106  -6.783
  571    H    PHE  71           H        PHE  71   1.659   9.033  -5.078
  572    HA   PHE  71           HA       PHE  71  -0.699   9.064  -6.768
  573   1HB   PHE  71          2HB       PHE  71  -2.142   7.949  -5.187
  574   2HB   PHE  71          1HB       PHE  71  -0.781   6.894  -5.569
  575    HD1  PHE  71           1HD      PHE  71  -2.770   8.118  -2.990
  576    HD2  PHE  71           2HD      PHE  71   1.282   7.189  -3.904
  577    HE1  PHE  71           1HE      PHE  71  -2.287   7.877  -0.589
  578    HE2  PHE  71           2HE      PHE  71   1.771   6.947  -1.505
  579    HZ   PHE  71           HZ       PHE  71  -0.014   7.291   0.156
  580    H    THR  72           H        THR  72  -2.342  10.488  -6.068
  581    HA   THR  72           HA       THR  72  -1.330  12.615  -4.321
  582    HB   THR  72           HB       THR  72  -3.549  13.690  -5.476
  583    HG1  THR  72           1HG      THR  72  -3.911  12.826  -7.402
  584   1HG2  THR  72          1HG2      THR  72  -1.681  15.006  -5.609
  585   2HG2  THR  72          2HG2      THR  72  -1.765  14.455  -7.282
  586   3HG2  THR  72          3HG2      THR  72  -0.652  13.681  -6.154
  587    H    THR  73           H        THR  73  -3.055  13.869  -3.163
  588    HA   THR  73           HA       THR  73  -4.766  14.061  -1.679
  589    HB   THR  73           HB       THR  73  -5.680  11.403  -2.782
  590    HG1  THR  73           1HG      THR  73  -5.870  13.504  -3.995
  591   1HG2  THR  73          1HG2      THR  73  -7.386  13.126  -1.033
  592   2HG2  THR  73          2HG2      THR  73  -6.229  12.019  -0.288
  593   3HG2  THR  73          3HG2      THR  73  -7.493  11.395  -1.351
  594    H    THR  74           H        THR  74  -3.005  13.948  -0.187
  595    HA   THR  74           HA       THR  74  -3.452  12.403   2.018
  596    HB   THR  74           HB       THR  74  -2.840  10.347   1.183
  597    HG1  THR  74           1HG      THR  74  -1.251  11.320   2.872
  598   1HG2  THR  74          1HG2      THR  74  -0.789  10.081  -0.328
  599   2HG2  THR  74          2HG2      THR  74  -0.863  11.833  -0.526
  600   3HG2  THR  74          3HG2      THR  74  -2.224  10.829  -1.031
  601    H    SER  75           H        SER  75  -2.285  13.173   3.713
  602    HA   SER  75           HA       SER  75   0.095  14.791   3.092
  603   1HB   SER  75          2HB       SER  75  -2.154  15.981   3.791
  604   2HB   SER  75          1HB       SER  75  -1.663  15.490   5.412
  605    HG   SER  75           HG       SER  75   0.103  16.844   3.672
  606    H    THR  76           H        THR  76   1.067  15.381   5.492
  607    HA   THR  76           HA       THR  76   2.084  12.873   6.427
  608    HB   THR  76           HB       THR  76   3.502  14.138   7.889
  609    HG1  THR  76           1HG      THR  76   2.142  15.657   8.766
  610   1HG2  THR  76          1HG2      THR  76   4.681  14.597   6.051
  611   2HG2  THR  76          2HG2      THR  76   3.881  16.168   6.010
  612   3HG2  THR  76          3HG2      THR  76   3.216  14.815   5.096
  613    H    SER  77           H        SER  77   1.941  12.047   8.573
  614    HA   SER  77           HA       SER  77  -0.275  13.084  10.193
  615   1HB   SER  77          2HB       SER  77  -0.340  10.257  10.412
  616   2HB   SER  77          1HB       SER  77  -1.571  11.320   9.731
  617    HG   SER  77           HG       SER  77  -0.911   9.804   8.192
  618    H    THR  78           H        THR  78   0.019  12.972  12.361
  619    HA   THR  78           HA       THR  78   2.198  11.350  13.433
  620    HB   THR  78           HB       THR  78   2.610  13.602  14.884
  621    HG1  THR  78           1HG      THR  78   2.706  15.330  13.329
  622   1HG2  THR  78          1HG2      THR  78   3.934  12.793  12.296
  623   2HG2  THR  78          2HG2      THR  78   4.388  12.297  13.926
  624   3HG2  THR  78          3HG2      THR  78   4.601  13.973  13.423
  625    HA   PRO  79           HA       PRO  79  -1.584  11.690  16.180
  626   1HB   PRO  79          2HB       PRO  79  -2.581   9.214  15.914
  627   2HB   PRO  79          1HB       PRO  79  -2.939  10.484  14.737
  628   1HG   PRO  79          2HG       PRO  79  -0.978   8.234  14.563
  629   2HG   PRO  79          1HG       PRO  79  -2.062   8.875  13.315
  630   1HD   PRO  79          2HD       PRO  79   0.613   9.500  13.525
  631   2HD   PRO  79          1HD       PRO  79  -0.596  10.524  12.728
  632    H    GLY  80           H        GLY  80  -1.991   8.817  17.198
  633   1HA   GLY  80          2HA       GLY  80   0.125   7.581  18.299
  634   2HA   GLY  80          1HA       GLY  80  -0.015   9.012  19.309
  635    H    SER  81           H        SER  81  -2.361   9.405  20.080
  636    HA   SER  81           HA       SER  81  -3.606   6.837  20.799
  637   1HB   SER  81          2HB       SER  81  -3.910   7.547  23.070
  638   2HB   SER  81          1HB       SER  81  -2.212   7.804  22.669
  639    HG   SER  81           HG       SER  81  -2.480   9.864  22.970
  640    H    ARG  82           H        ARG  82  -3.966   9.767  19.334
  641    HA   ARG  82           HA       ARG  82  -6.743  10.187  20.109
  642   1HB   ARG  82          2HB       ARG  82  -4.651  11.843  19.129
  643   2HB   ARG  82          1HB       ARG  82  -5.952  11.878  17.948
  644   1HG   ARG  82          2HG       ARG  82  -6.892  13.438  19.213
  645   2HG   ARG  82          1HG       ARG  82  -7.255  12.155  20.369
  646   1HD   ARG  82          2HD       ARG  82  -6.159  13.799  21.630
  647   2HD   ARG  82          1HD       ARG  82  -4.926  12.581  21.314
  648    HE   ARG  82           HE       ARG  82  -3.743  14.162  20.182
  649   1HH1  ARG  82          1HH1      ARG  82  -7.079  15.167  20.304
  650   2HH1  ARG  82          2HH1      ARG  82  -6.779  16.698  19.552
  651   1HH2  ARG  82          1HH2      ARG  82  -3.342  16.178  19.193
  652   2HH2  ARG  82          2HH2      ARG  82  -4.656  17.271  18.920
  653    H    SER  83           H        SER  83  -8.478   9.704  18.873
  654    HA   SER  83           HA       SER  83  -7.955   8.283  16.353
  655   1HB   SER  83          2HB       SER  83 -10.305   8.162  18.254
  656   2HB   SER  83          1HB       SER  83 -10.266   7.347  16.691
  657    HG   SER  83           HG       SER  83  -9.117   5.835  17.568
  658    H    HIS  84           H        HIS  84  -9.224   8.702  14.511
  659    HA   HIS  84           HA       HIS  84 -10.848  11.147  14.587
  660   1HB   HIS  84          2HB       HIS  84  -8.640  10.542  12.612
  661   2HB   HIS  84          1HB       HIS  84  -9.823  11.830  12.403
  662    HD2  HIS  84           2HD      HIS  84  -6.375  11.815  13.251
  663    HE1  HIS  84           1HE      HIS  84  -8.020  14.407  16.165
  664    HE2  HIS  84           2HE      HIS  84  -5.914  13.753  14.912
  665    H    HIS  85           H        HIS  85 -12.397   9.231  14.654
  666    HA   HIS  85           HA       HIS  85 -12.972   8.304  11.918
  667   1HB   HIS  85          2HB       HIS  85 -13.005   6.957  14.506
  668   2HB   HIS  85          1HB       HIS  85 -14.516   6.757  13.623
  669    HD2  HIS  85           2HD      HIS  85 -10.765   5.758  13.367
  670    HE1  HIS  85           1HE      HIS  85 -12.960   3.715  10.379
  671    HE2  HIS  85           2HE      HIS  85 -10.667   4.065  11.403
  672    H    HIS  86           H        HIS  86 -13.994  10.337  14.397
  673    HA   HIS  86           HA       HIS  86 -16.368  11.063  12.952
  674   1HB   HIS  86          2HB       HIS  86 -16.572   9.223  15.153
  675   2HB   HIS  86          1HB       HIS  86 -17.366  10.736  15.575
  676    HD2  HIS  86           2HD      HIS  86 -19.172  11.561  13.296
  677    HE1  HIS  86           1HE      HIS  86 -20.147   7.485  12.704
  678    HE2  HIS  86           2HE      HIS  86 -20.913   9.879  12.365
  679    H    HIS  87           H        HIS  87 -17.632  12.752  14.436
  680    HA   HIS  87           HA       HIS  87 -17.577  14.861  15.288
  681   1HB   HIS  87          2HB       HIS  87 -16.421  13.201  17.154
  682   2HB   HIS  87          1HB       HIS  87 -15.211  14.466  16.975
  683    HD2  HIS  87           2HD      HIS  87 -15.714  16.718  18.355
  684    HE1  HIS  87           1HE      HIS  87 -19.762  15.876  19.259
  685    HE2  HIS  87           2HE      HIS  87 -17.881  17.558  19.508
  686    H    HIS  88           H        HIS  88 -15.163  16.216  16.315
  687    HA   HIS  88           HA       HIS  88 -14.269  17.317  13.828
  688   1HB   HIS  88          2HB       HIS  88 -13.018  18.884  15.172
  689   2HB   HIS  88          1HB       HIS  88 -14.607  18.672  15.896
  690    HD2  HIS  88           2HD      HIS  88 -12.000  19.658  17.658
  691    HE1  HIS  88           1HE      HIS  88 -12.354  15.797  19.353
  692    HE2  HIS  88           2HE      HIS  88 -11.235  18.063  19.555
  693    H    HIS  89           H        HIS  89 -12.014  17.511  13.193
  694    HA   HIS  89           HA       HIS  89 -10.151  15.578  14.296
  695   1HB   HIS  89          2HB       HIS  89  -9.730  14.798  11.826
  696   2HB   HIS  89          1HB       HIS  89 -11.008  14.056  12.782
  697    HD2  HIS  89           2HD      HIS  89 -12.537  13.456  10.561
  698    HE1  HIS  89           1HE      HIS  89 -13.231  17.488   9.478
  699    HE2  HIS  89           2HE      HIS  89 -13.758  15.068   8.935
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1   8.997 -26.339  -5.443
    2   2H    MET   1          2HT       MET   1   7.641 -27.350  -5.385
    3   3H    MET   1          3HT       MET   1   8.964 -27.765  -6.355
    4    HA   MET   1           HA       MET   1   8.585 -28.054  -3.489
    5   1HB   MET   1          2HB       MET   1  10.066 -29.525  -5.672
    6   2HB   MET   1          1HB       MET   1  10.090 -30.024  -3.987
    7   1HG   MET   1          2HG       MET   1   7.639 -30.259  -4.055
    8   2HG   MET   1          1HG       MET   1   7.670 -29.846  -5.769
    9   1HE   MET   1          1HE       MET   1   8.161 -32.443  -3.054
   10   2HE   MET   1          2HE       MET   1   9.876 -32.273  -3.428
   11   3HE   MET   1          3HE       MET   1   9.030 -33.770  -3.824
   12    H    ARG   2           H        ARG   2   9.635 -26.323  -2.516
   13    HA   ARG   2           HA       ARG   2  12.475 -26.589  -2.263
   14   1HB   ARG   2          2HB       ARG   2  11.421 -24.677  -4.148
   15   2HB   ARG   2          1HB       ARG   2  12.271 -23.847  -2.851
   16   1HG   ARG   2          2HG       ARG   2  13.574 -26.186  -4.148
   17   2HG   ARG   2          1HG       ARG   2  13.528 -24.646  -5.007
   18   1HD   ARG   2          2HD       ARG   2  14.329 -23.817  -2.567
   19   2HD   ARG   2          1HD       ARG   2  15.033 -25.434  -2.597
   20    HE   ARG   2           HE       ARG   2  16.458 -24.767  -4.300
   21   1HH1  ARG   2          1HH1      ARG   2  14.159 -22.254  -3.563
   22   2HH1  ARG   2          2HH1      ARG   2  15.009 -21.036  -4.454
   23   1HH2  ARG   2          1HH2      ARG   2  17.584 -23.170  -5.475
   24   2HH2  ARG   2          2HH2      ARG   2  16.957 -21.557  -5.541
   25    H    GLY   3           H        GLY   3  10.573 -26.913  -0.371
   26   1HA   GLY   3          2HA       GLY   3  11.400 -25.349   1.744
   27   2HA   GLY   3          1HA       GLY   3   9.988 -24.533   1.092
   28    H    SER   4           H        SER   4  11.053 -26.825   3.262
   29    HA   SER   4           HA       SER   4   8.829 -28.618   3.206
   30   1HB   SER   4          2HB       SER   4   9.805 -28.960   5.697
   31   2HB   SER   4          1HB       SER   4  10.546 -29.681   4.268
   32    HG   SER   4           HG       SER   4  11.436 -27.622   5.883
   33    H    ASN   5           H        ASN   5   7.050 -27.147   3.188
   34    HA   ASN   5           HA       ASN   5   6.120 -26.515   5.848
   35   1HB   ASN   5          2HB       ASN   5   7.318 -24.473   4.265
   36   2HB   ASN   5          1HB       ASN   5   5.588 -24.155   4.332
   37   1HD2  ASN   5          1HD2      ASN   5   6.758 -22.259   5.474
   38   2HD2  ASN   5          2HD2      ASN   5   6.851 -22.389   7.194
   39    H    ALA   6           H        ALA   6   4.380 -27.825   5.595
   40    HA   ALA   6           HA       ALA   6   2.785 -27.868   3.229
   41   1HB   ALA   6          1HB       ALA   6   2.549 -29.877   4.227
   42   2HB   ALA   6          2HB       ALA   6   1.192 -29.072   5.019
   43   3HB   ALA   6          3HB       ALA   6   2.742 -29.216   5.851
   44    HA   PRO   7           HA       PRO   7  -0.372 -25.380   5.911
   45   1HB   PRO   7          2HB       PRO   7   0.558 -24.092   8.103
   46   2HB   PRO   7          1HB       PRO   7  -0.048 -25.751   8.159
   47   1HG   PRO   7          2HG       PRO   7   2.776 -24.768   8.048
   48   2HG   PRO   7          1HG       PRO   7   2.082 -26.070   9.031
   49   1HD   PRO   7          2HD       PRO   7   3.472 -26.530   6.743
   50   2HD   PRO   7          1HD       PRO   7   2.162 -27.587   7.303
   51    H    GLN   8           H        GLN   8  -0.875 -23.484   5.008
   52    HA   GLN   8           HA       GLN   8   1.305 -21.593   4.434
   53   1HB   GLN   8          2HB       GLN   8  -1.015 -22.536   2.907
   54   2HB   GLN   8          1HB       GLN   8  -0.807 -20.791   2.871
   55   1HG   GLN   8          2HG       GLN   8   1.732 -21.967   2.449
   56   2HG   GLN   8          1HG       GLN   8   0.574 -22.783   1.398
   57   1HE2  GLN   8          1HE2      GLN   8   1.424 -19.508   2.471
   58   2HE2  GLN   8          2HE2      GLN   8   1.229 -18.766   0.923
   59    HA   PRO   9           HA       PRO   9  -0.674 -18.979   7.495
   60   1HB   PRO   9          2HB       PRO   9   0.876 -16.772   7.012
   61   2HB   PRO   9          1HB       PRO   9   1.378 -18.123   8.032
   62   1HG   PRO   9          2HG       PRO   9   2.062 -17.545   5.177
   63   2HG   PRO   9          1HG       PRO   9   3.107 -18.139   6.481
   64   1HD   PRO   9          2HD       PRO   9   2.104 -19.783   4.599
   65   2HD   PRO   9          1HD       PRO   9   2.338 -20.311   6.278
   66    H    SER  10           H        SER  10   0.415 -17.020   4.735
   67    HA   SER  10           HA       SER  10  -2.208 -16.607   3.696
   68   1HB   SER  10          2HB       SER  10  -1.041 -14.588   5.571
   69   2HB   SER  10          1HB       SER  10  -1.983 -14.021   4.193
   70    HG   SER  10           HG       SER  10  -2.969 -14.727   6.429
   71    H    HIS  11           H        HIS  11  -0.678 -17.420   2.014
   72    HA   HIS  11           HA       HIS  11   0.482 -17.114   0.085
   73   1HB   HIS  11          2HB       HIS  11  -0.800 -14.476   0.555
   74   2HB   HIS  11          1HB       HIS  11   0.508 -14.518  -0.623
   75    HD2  HIS  11           2HD      HIS  11   0.039 -16.500  -2.726
   76    HE1  HIS  11           1HE      HIS  11  -4.150 -16.125  -2.258
   77    HE2  HIS  11           2HE      HIS  11  -2.295 -17.129  -3.666
   78    H    ILE  12           H        ILE  12   1.303 -13.905   1.275
   79    HA   ILE  12           HA       ILE  12   4.126 -14.692   1.313
   80    HB   ILE  12           HB       ILE  12   3.677 -12.761  -0.051
   81   1HG1  ILE  12          2HG1      ILE  12   4.766 -11.092   2.005
   82   2HG1  ILE  12          1HG1      ILE  12   5.420 -12.717   2.197
   83   1HG2  ILE  12          1HG2      ILE  12   1.569 -12.072   0.904
   84   2HG2  ILE  12          2HG2      ILE  12   2.688 -10.709   0.886
   85   3HG2  ILE  12          3HG2      ILE  12   2.374 -11.572   2.391
   86   1HD1  ILE  12          1HD1      ILE  12   5.576 -10.967  -0.241
   87   2HD1  ILE  12          2HD1      ILE  12   6.066 -12.660  -0.209
   88   3HD1  ILE  12          3HD1      ILE  12   6.898 -11.483   0.805
   89    H    SER  13           H        SER  13   5.473 -14.207   3.097
   90    HA   SER  13           HA       SER  13   4.528 -14.774   5.611
   91   1HB   SER  13          2HB       SER  13   6.990 -13.502   4.553
   92   2HB   SER  13          1HB       SER  13   6.660 -13.248   6.267
   93    HG   SER  13           HG       SER  13   6.487 -15.545   6.459
   94    H    LYS  14           H        LYS  14   5.074 -11.569   4.188
   95    HA   LYS  14           HA       LYS  14   2.863 -10.389   5.446
   96   1HB   LYS  14          2HB       LYS  14   4.069  -8.855   7.002
   97   2HB   LYS  14          1HB       LYS  14   4.083 -10.539   7.510
   98   1HG   LYS  14          2HG       LYS  14   6.324 -10.769   7.176
   99   2HG   LYS  14          1HG       LYS  14   6.372  -9.550   5.901
  100   1HD   LYS  14          2HD       LYS  14   5.740  -7.929   7.868
  101   2HD   LYS  14          1HD       LYS  14   6.435  -9.210   8.864
  102   1HE   LYS  14          2HE       LYS  14   8.002  -8.377   6.503
  103   2HE   LYS  14          1HE       LYS  14   7.876  -7.204   7.812
  104   1HZ   LYS  14          1HZ       LYS  14   9.161  -9.839   7.796
  105   2HZ   LYS  14          2HZ       LYS  14   8.504  -9.276   9.248
  106   3HZ   LYS  14          3HZ       LYS  14   9.702  -8.380   8.461
  107    H    TYR  15           H        TYR  15   2.450  -8.351   4.657
  108    HA   TYR  15           HA       TYR  15   4.291  -7.396   2.577
  109   1HB   TYR  15          2HB       TYR  15   1.575  -7.908   2.487
  110   2HB   TYR  15          1HB       TYR  15   1.636  -6.163   2.700
  111    HD1  TYR  15           1HD      TYR  15   3.812  -5.230   1.125
  112    HD2  TYR  15           2HD      TYR  15   1.155  -8.449   0.301
  113    HE1  TYR  15           1HE      TYR  15   4.229  -4.951  -1.283
  114    HE2  TYR  15           2HE      TYR  15   1.566  -8.182  -2.107
  115    HH   TYR  15           HH       TYR  15   3.434  -7.235  -3.564
  116    H    ILE  16           H        ILE  16   5.096  -5.320   2.628
  117    HA   ILE  16           HA       ILE  16   4.380  -3.718   4.995
  118    HB   ILE  16           HB       ILE  16   7.026  -4.066   3.608
  119   1HG1  ILE  16          2HG1      ILE  16   6.408  -5.593   5.470
  120   2HG1  ILE  16          1HG1      ILE  16   7.826  -4.612   5.827
  121   1HG2  ILE  16          1HG2      ILE  16   7.457  -1.897   3.891
  122   2HG2  ILE  16          2HG2      ILE  16   7.455  -2.219   5.624
  123   3HG2  ILE  16          3HG2      ILE  16   5.986  -1.650   4.833
  124   1HD1  ILE  16          1HD1      ILE  16   6.841  -3.633   7.568
  125   2HD1  ILE  16          2HD1      ILE  16   5.678  -4.954   7.467
  126   3HD1  ILE  16          3HD1      ILE  16   5.322  -3.405   6.702
  127    H    LEU  17           H        LEU  17   3.594  -1.742   4.659
  128    HA   LEU  17           HA       LEU  17   3.670  -0.690   1.915
  129   1HB   LEU  17          2HB       LEU  17   1.423  -1.048   2.827
  130   2HB   LEU  17          1HB       LEU  17   1.810  -0.043   4.209
  131    HG   LEU  17           HG       LEU  17   2.162   1.859   2.544
  132   1HD1  LEU  17          1HD1      LEU  17   1.702  -0.248   0.717
  133   2HD1  LEU  17          2HD1      LEU  17   1.985   1.459   0.373
  134   3HD1  LEU  17          3HD1      LEU  17   0.339   0.866   0.599
  135   1HD2  LEU  17          1HD2      LEU  17  -0.445   0.597   3.257
  136   2HD2  LEU  17          2HD2      LEU  17  -0.430   2.014   2.207
  137   3HD2  LEU  17          3HD2      LEU  17   0.267   2.107   3.825
  138    H    ARG  18           H        ARG  18   5.219   0.749   1.624
  139    HA   ARG  18           HA       ARG  18   5.807   2.630   3.803
  140   1HB   ARG  18          2HB       ARG  18   8.098   2.640   2.321
  141   2HB   ARG  18          1HB       ARG  18   7.854   1.696   3.784
  142   1HG   ARG  18          2HG       ARG  18   6.845  -0.011   1.980
  143   2HG   ARG  18          1HG       ARG  18   8.023   0.830   0.971
  144   1HD   ARG  18          2HD       ARG  18   8.765  -0.235   3.675
  145   2HD   ARG  18          1HD       ARG  18   8.778  -1.274   2.250
  146    HE   ARG  18           HE       ARG  18  10.379   0.398   1.292
  147   1HH1  ARG  18          1HH1      ARG  18  10.030  -0.001   4.737
  148   2HH1  ARG  18          2HH1      ARG  18  11.636   0.544   5.091
  149   1HH2  ARG  18          1HH2      ARG  18  12.493   1.116   1.751
  150   2HH2  ARG  18          2HH2      ARG  18  13.035   1.179   3.394
  151    H    TRP  19           H        TRP  19   5.600   4.718   3.342
  152    HA   TRP  19           HA       TRP  19   5.933   5.654   0.619
  153   1HB   TRP  19          2HB       TRP  19   3.749   6.595   0.365
  154   2HB   TRP  19          1HB       TRP  19   3.551   4.897   0.779
  155    HD1  TRP  19           HD       TRP  19   2.565   8.323   1.854
  156    HE1  TRP  19           1HE      TRP  19   1.142   8.203   3.998
  157    HE3  TRP  19           3HE      TRP  19   3.376   3.431   3.088
  158    HZ2  TRP  19           2HZ      TRP  19   0.455   6.283   5.950
  159    HZ3  TRP  19           3HZ      TRP  19   2.299   2.530   5.109
  160    HH2  TRP  19           HH       TRP  19   0.870   3.927   6.509
  161    H    ARG  20           H        ARG  20   6.207   7.884   0.431
  162    HA   ARG  20           HA       ARG  20   6.164   9.522   2.835
  163   1HB   ARG  20          2HB       ARG  20   8.461  10.114   2.785
  164   2HB   ARG  20          1HB       ARG  20   8.420   8.360   2.685
  165   1HG   ARG  20          2HG       ARG  20   9.241   8.321   0.574
  166   2HG   ARG  20          1HG       ARG  20   8.470   9.844   0.126
  167   1HD   ARG  20          2HD       ARG  20  10.167  11.121   1.025
  168   2HD   ARG  20          1HD       ARG  20  10.678   9.849   2.132
  169    HE   ARG  20           HE       ARG  20  11.844   8.812   0.362
  170   1HH1  ARG  20          1HH1      ARG  20  10.356  11.824  -0.564
  171   2HH1  ARG  20          2HH1      ARG  20  11.325  12.015  -1.986
  172   1HH2  ARG  20          1HH2      ARG  20  13.125   9.054  -1.509
  173   2HH2  ARG  20          2HH2      ARG  20  12.899  10.440  -2.524
  174    HA   PRO  21           HA       PRO  21   5.022  12.796   0.108
  175   1HB   PRO  21          2HB       PRO  21   7.162  14.513   1.236
  176   2HB   PRO  21          1HB       PRO  21   5.420  14.785   1.172
  177   1HG   PRO  21          2HG       PRO  21   6.618  14.140   3.467
  178   2HG   PRO  21          1HG       PRO  21   5.013  13.508   3.061
  179   1HD   PRO  21          2HD       PRO  21   7.678  12.157   2.934
  180   2HD   PRO  21          1HD       PRO  21   6.106  11.515   3.452
  181    H    LYS  22           H        LYS  22   5.512  12.543  -1.969
  182    HA   LYS  22           HA       LYS  22   8.056  12.001  -3.002
  183   1HB   LYS  22          2HB       LYS  22   5.710  11.625  -4.028
  184   2HB   LYS  22          1HB       LYS  22   5.877  13.266  -4.635
  185   1HG   LYS  22          2HG       LYS  22   8.128  11.419  -5.146
  186   2HG   LYS  22          1HG       LYS  22   6.623  11.119  -6.020
  187   1HD   LYS  22          2HD       LYS  22   6.744  13.688  -6.506
  188   2HD   LYS  22          1HD       LYS  22   8.458  13.475  -6.141
  189   1HE   LYS  22          2HE       LYS  22   7.608  11.379  -7.883
  190   2HE   LYS  22          1HE       LYS  22   7.096  12.925  -8.557
  191   1HZ   LYS  22          1HZ       LYS  22   9.840  12.045  -7.885
  192   2HZ   LYS  22          2HZ       LYS  22   9.459  13.675  -8.133
  193   3HZ   LYS  22          3HZ       LYS  22   9.239  12.555  -9.382
  194    H    ASN  23           H        ASN  23   6.417  15.046  -2.428
  195    HA   ASN  23           HA       ASN  23   8.552  16.477  -3.830
  196   1HB   ASN  23          2HB       ASN  23   7.126  18.266  -4.067
  197   2HB   ASN  23          1HB       ASN  23   5.969  16.941  -4.038
  198   1HD2  ASN  23          1HD2      ASN  23   4.697  16.622  -2.205
  199   2HD2  ASN  23          2HD2      ASN  23   4.485  17.857  -1.016
  200    H    SER  24           H        SER  24   7.100  16.176  -0.616
  201    HA   SER  24           HA       SER  24   8.899  18.133   0.513
  202   1HB   SER  24          2HB       SER  24   6.438  17.011   1.276
  203   2HB   SER  24          1HB       SER  24   7.597  16.505   2.504
  204    HG   SER  24           HG       SER  24   6.436  18.840   2.296
  205    H    VAL  25           H        VAL  25   9.292  15.014  -0.435
  206    HA   VAL  25           HA       VAL  25  10.580  13.225   0.236
  207    HB   VAL  25           HB       VAL  25  12.967  13.812   0.367
  208   1HG1  VAL  25          1HG1      VAL  25  13.040  15.110  -1.821
  209   2HG1  VAL  25          2HG1      VAL  25  11.278  15.138  -1.733
  210   3HG1  VAL  25          3HG1      VAL  25  12.133  13.598  -1.817
  211   1HG2  VAL  25          1HG2      VAL  25  12.177  16.703   0.147
  212   2HG2  VAL  25          2HG2      VAL  25  13.771  16.016   0.462
  213   3HG2  VAL  25          3HG2      VAL  25  12.518  15.943   1.702
  214    H    GLY  26           H        GLY  26   9.034  13.963   2.424
  215   1HA   GLY  26          2HA       GLY  26  10.683  14.305   4.754
  216   2HA   GLY  26          1HA       GLY  26   8.960  13.961   4.736
  217    H    ARG  27           H        ARG  27   9.439  12.532   6.533
  218    HA   ARG  27           HA       ARG  27  11.075  10.223   6.151
  219   1HB   ARG  27          2HB       ARG  27   9.176  11.160   8.261
  220   2HB   ARG  27          1HB       ARG  27   9.687   9.478   8.259
  221   1HG   ARG  27          2HG       ARG  27  11.793  11.551   8.051
  222   2HG   ARG  27          1HG       ARG  27  10.986  11.346   9.606
  223   1HD   ARG  27          2HD       ARG  27  12.432   9.229   8.020
  224   2HD   ARG  27          1HD       ARG  27  12.961   9.960   9.534
  225    HE   ARG  27           HE       ARG  27  10.598   8.214   9.273
  226   1HH1  ARG  27          1HH1      ARG  27  13.297   9.469  11.083
  227   2HH1  ARG  27          2HH1      ARG  27  12.996   8.474  12.468
  228   1HH2  ARG  27          1HH2      ARG  27  10.193   6.901  11.090
  229   2HH2  ARG  27          2HH2      ARG  27  11.232   7.014  12.472
  230    H    TRP  28           H        TRP  28  10.118   7.986   6.529
  231    HA   TRP  28           HA       TRP  28   7.902   7.635   4.644
  232   1HB   TRP  28          2HB       TRP  28  10.037   5.761   5.659
  233   2HB   TRP  28          1HB       TRP  28   8.669   5.210   4.700
  234    HD1  TRP  28           HD       TRP  28  11.504   7.850   4.343
  235    HE1  TRP  28           1HE      TRP  28  12.252   7.865   1.880
  236    HE3  TRP  28           3HE      TRP  28   8.202   4.427   2.470
  237    HZ2  TRP  28           2HZ      TRP  28  11.536   6.593  -0.538
  238    HZ3  TRP  28           3HZ      TRP  28   8.298   3.882   0.073
  239    HH2  TRP  28           HH       TRP  28   9.931   4.943  -1.398
  240    H    LYS  29           H        LYS  29   6.564   5.583   5.111
  241    HA   LYS  29           HA       LYS  29   5.943   5.303   7.965
  242   1HB   LYS  29          2HB       LYS  29   3.601   5.346   6.160
  243   2HB   LYS  29          1HB       LYS  29   3.768   5.963   7.798
  244   1HG   LYS  29          2HG       LYS  29   5.365   7.607   6.180
  245   2HG   LYS  29          1HG       LYS  29   3.849   7.372   5.309
  246   1HD   LYS  29          2HD       LYS  29   3.362   9.206   6.628
  247   2HD   LYS  29          1HD       LYS  29   2.757   7.875   7.617
  248   1HE   LYS  29          2HE       LYS  29   4.095   8.501   9.273
  249   2HE   LYS  29          1HE       LYS  29   5.498   8.237   8.238
  250   1HZ   LYS  29          1HZ       LYS  29   5.363  10.506   9.155
  251   2HZ   LYS  29          2HZ       LYS  29   3.920  10.750   8.307
  252   3HZ   LYS  29          3HZ       LYS  29   5.361  10.483   7.463
  253    H    GLU  30           H        GLU  30   5.328   3.224   8.538
  254    HA   GLU  30           HA       GLU  30   5.209   1.290   6.317
  255   1HB   GLU  30          2HB       GLU  30   6.590   1.127   8.975
  256   2HB   GLU  30          1HB       GLU  30   6.144  -0.331   8.099
  257   1HG   GLU  30          2HG       GLU  30   7.962  -0.166   6.858
  258   2HG   GLU  30          1HG       GLU  30   7.457   1.427   6.295
  259    H    ALA  31           H        ALA  31   3.624  -0.146   6.248
  260    HA   ALA  31           HA       ALA  31   1.951  -0.643   8.594
  261   1HB   ALA  31          1HB       ALA  31   0.949   1.219   7.193
  262   2HB   ALA  31          2HB       ALA  31  -0.093  -0.171   7.497
  263   3HB   ALA  31          3HB       ALA  31   0.703   0.011   5.933
  264    H    THR  32           H        THR  32   1.928  -2.803   8.832
  265    HA   THR  32           HA       THR  32   2.555  -4.506   6.580
  266    HB   THR  32           HB       THR  32   1.948  -5.293   9.433
  267    HG1  THR  32           1HG      THR  32   3.836  -4.074   9.360
  268   1HG2  THR  32          1HG2      THR  32   3.163  -6.846   7.138
  269   2HG2  THR  32          2HG2      THR  32   1.604  -7.152   7.905
  270   3HG2  THR  32          3HG2      THR  32   3.098  -7.402   8.811
  271    H    ILE  33           H        ILE  33   1.288  -5.924   5.573
  272    HA   ILE  33           HA       ILE  33  -1.483  -6.276   6.462
  273    HB   ILE  33           HB       ILE  33  -0.928  -6.014   3.530
  274   1HG1  ILE  33          2HG1      ILE  33  -1.945  -3.597   4.907
  275   2HG1  ILE  33          1HG1      ILE  33  -0.231  -3.938   5.119
  276   1HG2  ILE  33          1HG2      ILE  33  -3.104  -6.430   3.459
  277   2HG2  ILE  33          2HG2      ILE  33  -3.400  -4.911   4.304
  278   3HG2  ILE  33          3HG2      ILE  33  -3.198  -6.404   5.219
  279   1HD1  ILE  33          1HD1      ILE  33   0.265  -3.426   2.986
  280   2HD1  ILE  33          2HD1      ILE  33  -1.228  -2.494   3.096
  281   3HD1  ILE  33          3HD1      ILE  33  -1.241  -4.096   2.360
  282    HA   PRO  34           HA       PRO  34   0.227 -10.433   5.909
  283   1HB   PRO  34          2HB       PRO  34  -2.502 -11.144   6.818
  284   2HB   PRO  34          1HB       PRO  34  -0.937 -11.667   7.445
  285   1HG   PRO  34          2HG       PRO  34  -2.423  -9.915   8.792
  286   2HG   PRO  34          1HG       PRO  34  -0.659  -9.741   8.713
  287   1HD   PRO  34          2HD       PRO  34  -2.778  -8.265   7.196
  288   2HD   PRO  34          1HD       PRO  34  -1.282  -7.649   7.929
  289    H    GLY  35           H        GLY  35   0.218 -10.187   3.590
  290   1HA   GLY  35          2HA       GLY  35  -0.424 -10.771   1.467
  291   2HA   GLY  35          1HA       GLY  35  -1.340 -12.053   2.241
  292    H    HIS  36           H        HIS  36  -2.038  -8.724   2.957
  293    HA   HIS  36           HA       HIS  36  -3.880  -7.436   2.619
  294   1HB   HIS  36          2HB       HIS  36  -3.263  -8.612   0.010
  295   2HB   HIS  36          1HB       HIS  36  -4.950  -8.144   0.176
  296    HD2  HIS  36           2HD      HIS  36  -4.485  -5.365   1.857
  297    HE1  HIS  36           1HE      HIS  36  -2.130  -4.324  -1.502
  298    HE2  HIS  36           2HE      HIS  36  -3.501  -3.430   0.435
  299    H    LEU  37           H        LEU  37  -5.319  -8.120   4.127
  300    HA   LEU  37           HA       LEU  37  -6.770 -10.564   3.885
  301   1HB   LEU  37          2HB       LEU  37  -8.205  -9.362   5.747
  302   2HB   LEU  37          1HB       LEU  37  -6.639 -10.058   6.093
  303    HG   LEU  37           HG       LEU  37  -7.145  -7.780   7.095
  304   1HD1  LEU  37          1HD1      LEU  37  -4.716  -7.176   5.719
  305   2HD1  LEU  37          2HD1      LEU  37  -4.771  -8.897   6.105
  306   3HD1  LEU  37          3HD1      LEU  37  -4.959  -7.698   7.387
  307   1HD2  LEU  37          1HD2      LEU  37  -6.259  -6.476   4.611
  308   2HD2  LEU  37          2HD2      LEU  37  -7.385  -5.924   5.850
  309   3HD2  LEU  37          3HD2      LEU  37  -7.921  -7.065   4.617
  310    H    ASN  38           H        ASN  38  -7.225  -7.368   2.738
  311    HA   ASN  38           HA       ASN  38  -9.359  -8.044   1.061
  312   1HB   ASN  38          2HB       ASN  38 -10.704  -8.121   3.095
  313   2HB   ASN  38          1HB       ASN  38 -10.174  -6.502   3.538
  314   1HD2  ASN  38          1HD2      ASN  38 -11.586  -8.151   0.725
  315   2HD2  ASN  38          2HD2      ASN  38 -12.766  -6.934   0.391
  316    H    SER  39           H        SER  39  -9.839  -4.964   2.514
  317    HA   SER  39           HA       SER  39  -8.112  -3.702   0.493
  318   1HB   SER  39          2HB       SER  39  -9.813  -2.048   0.029
  319   2HB   SER  39          1HB       SER  39 -10.523  -3.650  -0.176
  320    HG   SER  39           HG       SER  39 -11.979  -2.876   1.139
  321    H    TYR  40           H        TYR  40  -6.665  -2.385   1.363
  322    HA   TYR  40           HA       TYR  40  -7.257  -1.173   3.984
  323   1HB   TYR  40          2HB       TYR  40  -5.329  -2.909   3.713
  324   2HB   TYR  40          1HB       TYR  40  -4.464  -1.577   2.956
  325    HD1  TYR  40           1HD      TYR  40  -4.588   0.699   4.390
  326    HD2  TYR  40           2HD      TYR  40  -4.988  -3.233   5.967
  327    HE1  TYR  40           1HE      TYR  40  -3.916   1.526   6.607
  328    HE2  TYR  40           2HE      TYR  40  -4.321  -2.416   8.187
  329    HH   TYR  40           HH       TYR  40  -2.982   0.692   8.678
  330    H    THR  41           H        THR  41  -7.938   0.847   3.533
  331    HA   THR  41           HA       THR  41  -6.287   2.471   1.708
  332    HB   THR  41           HB       THR  41  -8.514   2.254   0.808
  333    HG1  THR  41           1HG      THR  41  -8.649   4.805   1.976
  334   1HG2  THR  41          1HG2      THR  41 -10.131   1.786   2.300
  335   2HG2  THR  41          2HG2      THR  41 -10.268   3.536   2.471
  336   3HG2  THR  41          3HG2      THR  41  -9.290   2.612   3.611
  337    H    ILE  42           H        ILE  42  -5.620   4.493   2.355
  338    HA   ILE  42           HA       ILE  42  -5.624   4.958   5.218
  339    HB   ILE  42           HB       ILE  42  -4.358   6.825   3.247
  340   1HG1  ILE  42          2HG1      ILE  42  -2.927   4.373   4.243
  341   2HG1  ILE  42          1HG1      ILE  42  -3.849   4.331   2.744
  342   1HG2  ILE  42          1HG2      ILE  42  -2.602   6.649   5.197
  343   2HG2  ILE  42          2HG2      ILE  42  -3.998   6.066   6.103
  344   3HG2  ILE  42          3HG2      ILE  42  -4.037   7.662   5.355
  345   1HD1  ILE  42          1HD1      ILE  42  -1.382   4.761   2.525
  346   2HD1  ILE  42          2HD1      ILE  42  -1.678   6.337   3.259
  347   3HD1  ILE  42          3HD1      ILE  42  -2.440   5.921   1.724
  348    H    LYS  43           H        LYS  43  -6.962   6.319   6.237
  349    HA   LYS  43           HA       LYS  43  -8.617   8.119   4.612
  350   1HB   LYS  43          2HB       LYS  43  -9.865   8.278   6.921
  351   2HB   LYS  43          1HB       LYS  43 -10.106   6.895   5.865
  352   1HG   LYS  43          2HG       LYS  43  -8.232   5.785   7.217
  353   2HG   LYS  43          1HG       LYS  43  -8.510   7.073   8.391
  354   1HD   LYS  43          2HD       LYS  43 -10.622   6.317   8.922
  355   2HD   LYS  43          1HD       LYS  43 -10.834   5.503   7.370
  356   1HE   LYS  43          2HE       LYS  43  -9.016   3.905   8.123
  357   2HE   LYS  43          1HE       LYS  43  -9.191   4.616   9.727
  358   1HZ   LYS  43          1HZ       LYS  43 -11.582   4.010   9.606
  359   2HZ   LYS  43          2HZ       LYS  43 -10.540   2.679   9.623
  360   3HZ   LYS  43          3HZ       LYS  43 -11.262   3.167   8.174
  361    H    GLY  44           H        GLY  44  -9.274  10.198   5.759
  362   1HA   GLY  44          2HA       GLY  44  -8.738  12.159   6.867
  363   2HA   GLY  44          1HA       GLY  44  -7.377  11.329   7.608
  364    H    LEU  45           H        LEU  45  -5.777  12.784   7.245
  365    HA   LEU  45           HA       LEU  45  -4.189  13.979   6.141
  366   1HB   LEU  45          2HB       LEU  45  -4.728  12.433   3.643
  367   2HB   LEU  45          1HB       LEU  45  -3.192  12.962   4.314
  368    HG   LEU  45           HG       LEU  45  -4.603  11.014   5.997
  369   1HD1  LEU  45          1HD1      LEU  45  -4.478   9.149   4.639
  370   2HD1  LEU  45          2HD1      LEU  45  -3.382   9.929   3.496
  371   3HD1  LEU  45          3HD1      LEU  45  -5.087  10.379   3.533
  372   1HD2  LEU  45          1HD2      LEU  45  -2.222  11.907   6.192
  373   2HD2  LEU  45          2HD2      LEU  45  -1.843  10.859   4.825
  374   3HD2  LEU  45          3HD2      LEU  45  -2.442  10.162   6.330
  375    H    LYS  46           H        LYS  46  -3.878  14.862   3.541
  376    HA   LYS  46           HA       LYS  46  -6.378  16.088   2.732
  377   1HB   LYS  46          2HB       LYS  46  -5.512  18.364   2.845
  378   2HB   LYS  46          1HB       LYS  46  -5.516  17.619   4.438
  379   1HG   LYS  46          2HG       LYS  46  -3.270  17.665   4.614
  380   2HG   LYS  46          1HG       LYS  46  -3.023  17.341   2.897
  381   1HD   LYS  46          2HD       LYS  46  -2.971  19.534   2.358
  382   2HD   LYS  46          1HD       LYS  46  -4.219  19.956   3.533
  383   1HE   LYS  46          2HE       LYS  46  -1.621  19.099   4.638
  384   2HE   LYS  46          1HE       LYS  46  -1.630  20.645   3.790
  385   1HZ   LYS  46          1HZ       LYS  46  -2.412  21.522   5.654
  386   2HZ   LYS  46          2HZ       LYS  46  -2.642  20.005   6.368
  387   3HZ   LYS  46          3HZ       LYS  46  -3.858  20.679   5.403
  388    HA   PRO  47           HA       PRO  47  -4.448  15.760  -1.218
  389   1HB   PRO  47          2HB       PRO  47  -6.285  16.968  -2.725
  390   2HB   PRO  47          1HB       PRO  47  -6.645  15.459  -1.875
  391   1HG   PRO  47          2HG       PRO  47  -7.410  18.258  -1.174
  392   2HG   PRO  47          1HG       PRO  47  -8.350  16.764  -1.018
  393   1HD   PRO  47          2HD       PRO  47  -6.945  18.019   1.037
  394   2HD   PRO  47          1HD       PRO  47  -7.506  16.336   1.049
  395    H    GLY  48           H        GLY  48  -3.259  17.817   0.307
  396   1HA   GLY  48          2HA       GLY  48  -3.043  20.006  -1.668
  397   2HA   GLY  48          1HA       GLY  48  -2.712  20.185   0.051
  398    H    VAL  49           H        VAL  49  -1.428  17.423  -0.135
  399    HA   VAL  49           HA       VAL  49   1.146  18.297  -1.277
  400    HB   VAL  49           HB       VAL  49   1.733  18.253   0.926
  401   1HG1  VAL  49          1HG1      VAL  49  -0.333  16.105   1.388
  402   2HG1  VAL  49          2HG1      VAL  49  -0.478  17.816   1.786
  403   3HG1  VAL  49          3HG1      VAL  49   0.693  16.810   2.636
  404   1HG2  VAL  49          1HG2      VAL  49   1.972  15.354   1.079
  405   2HG2  VAL  49          2HG2      VAL  49   3.226  16.595   1.075
  406   3HG2  VAL  49          3HG2      VAL  49   2.559  16.012  -0.450
  407    H    VAL  50           H        VAL  50   2.208  16.891  -2.603
  408    HA   VAL  50           HA       VAL  50   0.758  14.593  -3.554
  409    HB   VAL  50           HB       VAL  50   2.159  16.115  -5.022
  410   1HG1  VAL  50          1HG1      VAL  50   4.485  14.467  -4.073
  411   2HG1  VAL  50          2HG1      VAL  50   4.121  16.057  -3.404
  412   3HG1  VAL  50          3HG1      VAL  50   4.497  15.888  -5.119
  413   1HG2  VAL  50          1HG2      VAL  50   1.431  13.551  -5.344
  414   2HG2  VAL  50          2HG2      VAL  50   3.180  13.383  -5.490
  415   3HG2  VAL  50          3HG2      VAL  50   2.305  14.470  -6.568
  416    H    TYR  51           H        TYR  51   1.406  12.414  -3.412
  417    HA   TYR  51           HA       TYR  51   3.487  11.867  -1.401
  418   1HB   TYR  51          2HB       TYR  51   0.662  11.340  -1.252
  419   2HB   TYR  51          1HB       TYR  51   1.560   9.829  -1.200
  420    HD1  TYR  51           1HD      TYR  51   0.063  12.112   0.812
  421    HD2  TYR  51           2HD      TYR  51   3.832  10.186   0.377
  422    HE1  TYR  51           1HE      TYR  51   0.509  12.469   3.200
  423    HE2  TYR  51           2HE      TYR  51   4.295  10.540   2.765
  424    HH   TYR  51           HH       TYR  51   3.400  11.140   4.745
  425    H    GLU  52           H        GLU  52   4.618   9.958  -1.583
  426    HA   GLU  52           HA       GLU  52   4.330   8.544  -4.149
  427   1HB   GLU  52          2HB       GLU  52   6.525   8.850  -4.481
  428   2HB   GLU  52          1HB       GLU  52   6.584   9.828  -3.025
  429   1HG   GLU  52          2HG       GLU  52   8.161   8.322  -2.463
  430   2HG   GLU  52          1HG       GLU  52   6.756   7.418  -1.902
  431    H    GLY  53           H        GLY  53   3.873   6.411  -4.056
  432   1HA   GLY  53          2HA       GLY  53   3.932   5.166  -1.381
  433   2HA   GLY  53          1HA       GLY  53   2.744   4.793  -2.614
  434    H    GLN  54           H        GLN  54   4.883   3.278  -1.034
  435    HA   GLN  54           HA       GLN  54   5.859   1.726  -3.331
  436   1HB   GLN  54          2HB       GLN  54   7.455   2.741  -0.994
  437   2HB   GLN  54          1HB       GLN  54   7.937   1.278  -1.842
  438   1HG   GLN  54          2HG       GLN  54   7.386   3.448  -3.674
  439   2HG   GLN  54          1HG       GLN  54   8.621   3.877  -2.491
  440   1HE2  GLN  54          1HE2      GLN  54   7.837   0.796  -4.051
  441   2HE2  GLN  54          2HE2      GLN  54   9.400   0.552  -4.748
  442    H    LEU  55           H        LEU  55   5.239  -0.341  -3.185
  443    HA   LEU  55           HA       LEU  55   4.475  -1.365  -0.536
  444   1HB   LEU  55          2HB       LEU  55   3.268  -1.550  -3.168
  445   2HB   LEU  55          1HB       LEU  55   3.497  -3.133  -2.452
  446    HG   LEU  55           HG       LEU  55   1.965  -0.836  -1.227
  447   1HD1  LEU  55          1HD1      LEU  55   0.214  -2.864  -1.453
  448   2HD1  LEU  55          2HD1      LEU  55   1.223  -3.169  -2.866
  449   3HD1  LEU  55          3HD1      LEU  55   0.422  -1.610  -2.675
  450   1HD2  LEU  55          1HD2      LEU  55   1.779  -1.976   0.708
  451   2HD2  LEU  55          2HD2      LEU  55   3.297  -2.709   0.185
  452   3HD2  LEU  55          3HD2      LEU  55   1.770  -3.548  -0.093
  453    H    ILE  56           H        ILE  56   6.062  -2.516   0.338
  454    HA   ILE  56           HA       ILE  56   7.621  -4.323  -1.392
  455    HB   ILE  56           HB       ILE  56   8.395  -3.262   1.321
  456   1HG1  ILE  56          2HG1      ILE  56   8.302  -1.779  -0.960
  457   2HG1  ILE  56          1HG1      ILE  56   9.406  -1.486   0.372
  458   1HG2  ILE  56          1HG2      ILE  56  10.683  -4.008   0.332
  459   2HG2  ILE  56          2HG2      ILE  56   9.678  -5.066  -0.659
  460   3HG2  ILE  56          3HG2      ILE  56   9.617  -5.183   1.102
  461   1HD1  ILE  56          1HD1      ILE  56  11.178  -2.571  -0.769
  462   2HD1  ILE  56          2HD1      ILE  56  10.426  -1.451  -1.905
  463   3HD1  ILE  56          3HD1      ILE  56  10.085  -3.179  -2.013
  464    H    SER  57           H        SER  57   7.144  -6.391  -1.195
  465    HA   SER  57           HA       SER  57   5.851  -7.396   1.221
  466   1HB   SER  57          2HB       SER  57   5.276  -7.810  -1.417
  467   2HB   SER  57          1HB       SER  57   6.257  -9.226  -1.047
  468    HG   SER  57           HG       SER  57   3.998  -9.533  -0.640
  469    H    ILE  58           H        ILE  58   6.838  -8.796   2.572
  470    HA   ILE  58           HA       ILE  58   9.538  -9.692   1.823
  471    HB   ILE  58           HB       ILE  58   8.459  -9.141   4.585
  472   1HG1  ILE  58          2HG1      ILE  58  10.260  -7.645   2.696
  473   2HG1  ILE  58          1HG1      ILE  58   8.853  -7.058   3.571
  474   1HG2  ILE  58          1HG2      ILE  58  10.644  -9.658   5.409
  475   2HG2  ILE  58          2HG2      ILE  58  11.262  -9.883   3.773
  476   3HG2  ILE  58          3HG2      ILE  58  10.092 -11.023   4.437
  477   1HD1  ILE  58          1HD1      ILE  58  10.638  -6.067   4.666
  478   2HD1  ILE  58          2HD1      ILE  58  11.625  -7.526   4.584
  479   3HD1  ILE  58          3HD1      ILE  58  10.250  -7.452   5.686
  480    H    GLN  59           H        GLN  59   9.923 -11.771   1.695
  481    HA   GLN  59           HA       GLN  59   7.856 -13.660   2.504
  482   1HB   GLN  59          2HB       GLN  59   9.878 -13.506   0.418
  483   2HB   GLN  59          1HB       GLN  59   9.880 -15.066   1.230
  484   1HG   GLN  59          2HG       GLN  59   7.475 -13.760  -0.015
  485   2HG   GLN  59          1HG       GLN  59   8.444 -15.033  -0.756
  486   1HE2  GLN  59          1HE2      GLN  59   8.524 -17.098   0.339
  487   2HE2  GLN  59          2HE2      GLN  59   7.162 -17.621   1.264
  488    H    GLN  60           H        GLN  60   9.073 -15.940   3.017
  489    HA   GLN  60           HA       GLN  60  10.147 -15.579   5.622
  490   1HB   GLN  60          2HB       GLN  60  10.750 -18.187   4.978
  491   2HB   GLN  60          1HB       GLN  60   9.255 -17.633   5.715
  492   1HG   GLN  60          2HG       GLN  60   8.437 -17.301   3.301
  493   2HG   GLN  60          1HG       GLN  60   9.799 -18.327   2.857
  494   1HE2  GLN  60          1HE2      GLN  60   7.769 -18.524   5.728
  495   2HE2  GLN  60          2HE2      GLN  60   7.123 -20.090   5.388
  496    H    TYR  61           H        TYR  61  11.560 -16.119   2.467
  497    HA   TYR  61           HA       TYR  61  14.230 -16.332   3.663
  498   1HB   TYR  61          2HB       TYR  61  14.131 -16.487   0.754
  499   2HB   TYR  61          1HB       TYR  61  14.813 -17.620   1.915
  500    HD1  TYR  61           1HD      TYR  61  12.181 -17.023  -0.409
  501    HD2  TYR  61           2HD      TYR  61  13.169 -19.208   3.107
  502    HE1  TYR  61           1HE      TYR  61  10.345 -18.591  -0.874
  503    HE2  TYR  61           2HE      TYR  61  11.335 -20.780   2.651
  504    HH   TYR  61           HH       TYR  61   9.589 -21.248   1.354
  505    H    GLY  62           H        GLY  62  12.408 -13.876   3.193
  506   1HA   GLY  62          2HA       GLY  62  13.528 -11.685   3.245
  507   2HA   GLY  62          1HA       GLY  62  14.496 -12.240   1.887
  508    H    HIS  63           H        HIS  63  13.039  -9.846   1.849
  509    HA   HIS  63           HA       HIS  63  10.498 -10.045   0.688
  510   1HB   HIS  63          2HB       HIS  63  11.017  -7.745  -0.229
  511   2HB   HIS  63          1HB       HIS  63  11.162  -7.927   1.515
  512    HD2  HIS  63           2HD      HIS  63  12.949  -5.755   1.524
  513    HE1  HIS  63           1HE      HIS  63  16.048  -7.917  -0.383
  514    HE2  HIS  63           2HE      HIS  63  15.420  -5.730   0.736
  515    H    GLN  64           H        GLN  64   9.938  -9.433  -1.579
  516    HA   GLN  64           HA       GLN  64  11.849  -9.867  -3.656
  517   1HB   GLN  64          2HB       GLN  64  10.312 -11.927  -4.441
  518   2HB   GLN  64          1HB       GLN  64  11.786 -12.128  -3.505
  519   1HG   GLN  64          2HG       GLN  64  10.251 -11.960  -1.447
  520   2HG   GLN  64          1HG       GLN  64   8.946 -12.277  -2.586
  521   1HE2  GLN  64          1HE2      GLN  64  11.715 -13.573  -0.989
  522   2HE2  GLN  64          2HE2      GLN  64  11.445 -15.217  -1.429
  523    H    GLU  65           H        GLU  65   9.164  -8.451  -2.584
  524    HA   GLU  65           HA       GLU  65   8.161  -8.030  -5.310
  525   1HB   GLU  65          2HB       GLU  65   6.770  -9.497  -3.410
  526   2HB   GLU  65          1HB       GLU  65   6.039  -7.901  -3.321
  527   1HG   GLU  65          2HG       GLU  65   4.743  -8.688  -4.970
  528   2HG   GLU  65          1HG       GLU  65   6.107  -8.234  -5.989
  529    H    VAL  66           H        VAL  66   8.393  -5.950  -5.774
  530    HA   VAL  66           HA       VAL  66   7.636  -3.978  -3.740
  531    HB   VAL  66           HB       VAL  66   9.946  -3.860  -3.510
  532   1HG1  VAL  66          1HG1      VAL  66  11.551  -3.999  -5.283
  533   2HG1  VAL  66          2HG1      VAL  66  10.275  -3.962  -6.499
  534   3HG1  VAL  66          3HG1      VAL  66  10.426  -5.352  -5.422
  535   1HG2  VAL  66          1HG2      VAL  66   9.008  -1.803  -5.486
  536   2HG2  VAL  66          2HG2      VAL  66  10.638  -1.766  -4.814
  537   3HG2  VAL  66          3HG2      VAL  66   9.240  -1.643  -3.743
  538    H    THR  67           H        THR  67   6.554  -2.212  -4.501
  539    HA   THR  67           HA       THR  67   6.356  -1.853  -7.408
  540    HB   THR  67           HB       THR  67   3.904  -1.712  -5.662
  541    HG1  THR  67           1HG      THR  67   4.359  -3.907  -7.354
  542   1HG2  THR  67          1HG2      THR  67   2.763  -1.298  -7.564
  543   2HG2  THR  67          2HG2      THR  67   3.742  -2.414  -8.516
  544   3HG2  THR  67          3HG2      THR  67   4.335  -0.788  -8.178
  545    H    ARG  68           H        ARG  68   6.291   0.229  -8.068
  546    HA   ARG  68           HA       ARG  68   6.199   2.287  -5.963
  547   1HB   ARG  68          2HB       ARG  68   7.402   2.757  -8.668
  548   2HB   ARG  68          1HB       ARG  68   7.736   3.577  -7.152
  549   1HG   ARG  68          2HG       ARG  68   9.057   1.819  -6.355
  550   2HG   ARG  68          1HG       ARG  68   8.438   0.693  -7.565
  551   1HD   ARG  68          2HD       ARG  68   9.674   3.034  -8.758
  552   2HD   ARG  68          1HD       ARG  68  10.786   2.149  -7.715
  553    HE   ARG  68           HE       ARG  68   9.953   0.140  -9.112
  554   1HH1  ARG  68          1HH1      ARG  68  10.455   3.381 -10.293
  555   2HH1  ARG  68          2HH1      ARG  68  10.821   2.873 -11.907
  556   1HH2  ARG  68          1HH2      ARG  68  10.434  -0.535 -11.233
  557   2HH2  ARG  68          2HH2      ARG  68  10.808   0.646 -12.443
  558    H    PHE  69           H        PHE  69   4.659   3.771  -6.031
  559    HA   PHE  69           HA       PHE  69   3.371   4.552  -8.491
  560   1HB   PHE  69          2HB       PHE  69   1.069   4.040  -7.517
  561   2HB   PHE  69          1HB       PHE  69   1.993   2.669  -8.119
  562    HD1  PHE  69           1HD      PHE  69   3.098   1.131  -6.518
  563    HD2  PHE  69           2HD      PHE  69   0.450   4.208  -5.238
  564    HE1  PHE  69           1HE      PHE  69   2.842   0.003  -4.346
  565    HE2  PHE  69           2HE      PHE  69   0.192   3.087  -3.063
  566    HZ   PHE  69           HZ       PHE  69   1.390   0.982  -2.615
  567    H    ASP  70           H        ASP  70   2.897   6.653  -8.396
  568    HA   ASP  70           HA       ASP  70   3.009   7.970  -5.788
  569   1HB   ASP  70          2HB       ASP  70   2.878  10.061  -7.383
  570   2HB   ASP  70          1HB       ASP  70   4.385   9.168  -7.212
  571    H    PHE  71           H        PHE  71   1.285   8.875  -4.831
  572    HA   PHE  71           HA       PHE  71  -1.174   9.187  -6.395
  573   1HB   PHE  71          2HB       PHE  71  -2.509   8.104  -4.690
  574   2HB   PHE  71          1HB       PHE  71  -1.246   7.003  -5.236
  575    HD1  PHE  71           1HD      PHE  71  -2.784   8.540  -2.430
  576    HD2  PHE  71           2HD      PHE  71   0.878   6.859  -3.799
  577    HE1  PHE  71           1HE      PHE  71  -2.069   8.210  -0.099
  578    HE2  PHE  71           2HE      PHE  71   1.599   6.525  -1.471
  579    HZ   PHE  71           HZ       PHE  71   0.125   7.199   0.383
  580    H    THR  72           H        THR  72  -2.657  10.704  -5.597
  581    HA   THR  72           HA       THR  72  -1.460  12.652  -3.749
  582    HB   THR  72           HB       THR  72  -3.092  14.274  -4.824
  583    HG1  THR  72           1HG      THR  72  -3.756  11.975  -6.132
  584   1HG2  THR  72          1HG2      THR  72  -1.045  13.043  -6.672
  585   2HG2  THR  72          2HG2      THR  72  -0.662  14.152  -5.355
  586   3HG2  THR  72          3HG2      THR  72  -1.650  14.698  -6.711
  587    H    THR  73           H        THR  73  -3.079  14.033  -2.604
  588    HA   THR  73           HA       THR  73  -4.953  14.390  -1.340
  589    HB   THR  73           HB       THR  73  -5.877  11.625  -2.129
  590    HG1  THR  73           1HG      THR  73  -7.076  12.648  -3.649
  591   1HG2  THR  73          1HG2      THR  73  -6.640  12.782   0.100
  592   2HG2  THR  73          2HG2      THR  73  -7.827  12.000  -0.951
  593   3HG2  THR  73          3HG2      THR  73  -7.637  13.754  -0.987
  594    H    THR  74           H        THR  74  -2.929  14.167   0.046
  595    HA   THR  74           HA       THR  74  -3.594  13.038   2.460
  596    HB   THR  74           HB       THR  74  -3.357  10.831   1.911
  597    HG1  THR  74           1HG      THR  74  -1.583  11.690   3.441
  598   1HG2  THR  74          1HG2      THR  74  -1.675  11.873  -0.225
  599   2HG2  THR  74          2HG2      THR  74  -2.729  10.460  -0.199
  600   3HG2  THR  74          3HG2      THR  74  -1.088  10.346   0.440
  601    H    SER  75           H        SER  75  -2.116  13.491   4.096
  602    HA   SER  75           HA       SER  75   0.327  14.901   3.257
  603   1HB   SER  75          2HB       SER  75  -1.555  16.401   4.051
  604   2HB   SER  75          1HB       SER  75  -1.371  15.657   5.640
  605    HG   SER  75           HG       SER  75   0.626  16.536   5.830
  606    H    THR  76           H        THR  76   1.700  15.313   5.398
  607    HA   THR  76           HA       THR  76   2.466  12.701   6.295
  608    HB   THR  76           HB       THR  76   4.360  13.962   6.104
  609    HG1  THR  76           1HG      THR  76   4.411  14.992   8.547
  610   1HG2  THR  76          1HG2      THR  76   3.268  16.065   5.550
  611   2HG2  THR  76          2HG2      THR  76   4.551  16.339   6.729
  612   3HG2  THR  76          3HG2      THR  76   2.865  16.325   7.248
  613    H    SER  77           H        SER  77   1.698  15.631   8.192
  614    HA   SER  77           HA       SER  77   0.047  14.042   9.980
  615   1HB   SER  77          2HB       SER  77   1.262  14.645  11.989
  616   2HB   SER  77          1HB       SER  77   2.367  13.843  10.873
  617    HG   SER  77           HG       SER  77   2.359  16.440  11.795
  618    H    THR  78           H        THR  78  -1.618  15.172  10.775
  619    HA   THR  78           HA       THR  78  -1.478  18.097  10.829
  620    HB   THR  78           HB       THR  78  -3.859  18.131   9.898
  621    HG1  THR  78           1HG      THR  78  -3.218  15.461   9.639
  622   1HG2  THR  78          1HG2      THR  78  -3.064  18.063   7.551
  623   2HG2  THR  78          2HG2      THR  78  -1.554  17.345   8.112
  624   3HG2  THR  78          3HG2      THR  78  -1.994  18.978   8.612
  625    HA   PRO  79           HA       PRO  79  -3.215  16.076  14.722
  626   1HB   PRO  79          2HB       PRO  79  -1.770  18.464  15.769
  627   2HB   PRO  79          1HB       PRO  79  -1.833  16.818  16.408
  628   1HG   PRO  79          2HG       PRO  79   0.336  17.675  15.142
  629   2HG   PRO  79          1HG       PRO  79  -0.267  16.027  14.881
  630   1HD   PRO  79          2HD       PRO  79  -0.512  18.437  13.126
  631   2HD   PRO  79          1HD       PRO  79  -0.228  16.741  12.681
  632    H    GLY  80           H        GLY  80  -2.764  19.553  15.128
  633   1HA   GLY  80          2HA       GLY  80  -4.866  20.858  14.282
  634   2HA   GLY  80          1HA       GLY  80  -5.666  19.821  15.454
  635    H    SER  81           H        SER  81  -6.337  21.617  16.675
  636    HA   SER  81           HA       SER  81  -4.174  23.043  18.073
  637   1HB   SER  81          2HB       SER  81  -6.665  23.949  16.901
  638   2HB   SER  81          1HB       SER  81  -6.572  24.382  18.607
  639    HG   SER  81           HG       SER  81  -5.585  25.841  16.920
  640    H    ARG  82           H        ARG  82  -7.577  22.208  18.757
  641    HA   ARG  82           HA       ARG  82  -6.784  20.758  21.137
  642   1HB   ARG  82          2HB       ARG  82  -7.916  23.476  21.217
  643   2HB   ARG  82          1HB       ARG  82  -8.718  22.313  22.263
  644   1HG   ARG  82          2HG       ARG  82  -6.866  22.015  23.585
  645   2HG   ARG  82          1HG       ARG  82  -5.746  22.499  22.311
  646   1HD   ARG  82          2HD       ARG  82  -5.645  24.457  23.383
  647   2HD   ARG  82          1HD       ARG  82  -7.233  24.768  22.684
  648    HE   ARG  82           HE       ARG  82  -8.021  23.615  24.867
  649   1HH1  ARG  82          1HH1      ARG  82  -5.296  25.761  24.525
  650   2HH1  ARG  82          2HH1      ARG  82  -5.377  26.332  26.159
  651   1HH2  ARG  82          1HH2      ARG  82  -8.136  24.364  27.018
  652   2HH2  ARG  82          2HH2      ARG  82  -6.990  25.538  27.575
  653    H    SER  83           H        SER  83  -7.859  18.925  20.818
  654    HA   SER  83           HA       SER  83 -10.479  18.935  19.565
  655   1HB   SER  83          2HB       SER  83  -9.625  16.340  20.522
  656   2HB   SER  83          1HB       SER  83  -9.914  16.879  18.868
  657    HG   SER  83           HG       SER  83  -7.838  17.299  18.623
  658    H    HIS  84           H        HIS  84  -9.201  17.243  22.431
  659    HA   HIS  84           HA       HIS  84 -11.702  17.913  23.831
  660   1HB   HIS  84          2HB       HIS  84 -10.369  15.367  24.553
  661   2HB   HIS  84          1HB       HIS  84 -12.084  15.758  24.467
  662    HD2  HIS  84           2HD      HIS  84 -13.151  15.700  21.793
  663    HE1  HIS  84           1HE      HIS  84 -10.049  13.164  20.431
  664    HE2  HIS  84           2HE      HIS  84 -12.423  13.953  20.019
  665    H    HIS  85           H        HIS  85 -11.255  19.198  25.480
  666    HA   HIS  85           HA       HIS  85  -9.204  18.487  27.382
  667   1HB   HIS  85          2HB       HIS  85  -8.696  20.468  25.351
  668   2HB   HIS  85          1HB       HIS  85  -8.688  21.222  26.942
  669    HD2  HIS  85           2HD      HIS  85  -5.859  21.461  26.220
  670    HE1  HIS  85           1HE      HIS  85  -5.131  17.474  27.445
  671    HE2  HIS  85           2HE      HIS  85  -4.084  19.744  27.017
  672    H    HIS  86           H        HIS  86  -9.109  21.112  28.579
  673    HA   HIS  86           HA       HIS  86 -11.592  20.994  30.036
  674   1HB   HIS  86          2HB       HIS  86  -8.988  22.404  30.344
  675   2HB   HIS  86          1HB       HIS  86 -10.393  23.116  31.129
  676    HD2  HIS  86           2HD      HIS  86 -11.697  21.306  32.985
  677    HE1  HIS  86           1HE      HIS  86  -8.121  19.115  33.560
  678    HE2  HIS  86           2HE      HIS  86 -10.384  19.700  34.543
  679    H    HIS  87           H        HIS  87 -11.164  22.116  27.138
  680    HA   HIS  87           HA       HIS  87 -12.074  23.726  25.816
  681   1HB   HIS  87          2HB       HIS  87 -14.049  22.887  27.555
  682   2HB   HIS  87          1HB       HIS  87 -14.101  24.639  27.719
  683    HD2  HIS  87           2HD      HIS  87 -15.024  21.865  25.211
  684    HE1  HIS  87           1HE      HIS  87 -15.997  25.606  23.490
  685    HE2  HIS  87           2HE      HIS  87 -16.058  23.091  23.172
  686    H    HIS  88           H        HIS  88 -10.100  24.964  26.187
  687    HA   HIS  88           HA       HIS  88  -8.961  26.882  26.622
  688   1HB   HIS  88          2HB       HIS  88 -11.290  27.663  25.586
  689   2HB   HIS  88          1HB       HIS  88 -11.471  28.385  27.182
  690    HD2  HIS  88           2HD      HIS  88 -10.609  29.726  24.022
  691    HE1  HIS  88           1HE      HIS  88  -7.597  31.327  26.527
  692    HE2  HIS  88           2HE      HIS  88  -8.872  31.623  24.355
  693    H    HIS  89           H        HIS  89  -8.349  25.722  28.646
  694    HA   HIS  89           HA       HIS  89  -9.608  26.447  31.108
  695   1HB   HIS  89          2HB       HIS  89  -8.274  24.339  30.706
  696   2HB   HIS  89          1HB       HIS  89  -6.822  25.333  30.743
  697    HD2  HIS  89           2HD      HIS  89  -5.772  25.692  33.187
  698    HE1  HIS  89           1HE      HIS  89  -9.154  24.439  35.404
  699    HE2  HIS  89           2HE      HIS  89  -6.790  25.347  35.548
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  -5.471 -21.438 -18.566
    2   2H    MET   1          2HT       MET   1  -6.064 -22.695 -19.530
    3   3H    MET   1          3HT       MET   1  -4.428 -22.660 -19.099
    4    HA   MET   1           HA       MET   1  -6.730 -23.075 -17.280
    5   1HB   MET   1          2HB       MET   1  -5.799 -24.906 -18.899
    6   2HB   MET   1          1HB       MET   1  -4.460 -24.977 -17.762
    7   1HG   MET   1          2HG       MET   1  -5.712 -26.524 -16.746
    8   2HG   MET   1          1HG       MET   1  -6.558 -25.134 -16.069
    9   1HE   MET   1          1HE       MET   1  -8.359 -24.052 -16.904
   10   2HE   MET   1          2HE       MET   1  -9.745 -25.138 -16.814
   11   3HE   MET   1          3HE       MET   1  -9.287 -24.418 -18.358
   12    H    ARG   2           H        ARG   2  -5.037 -20.904 -16.837
   13    HA   ARG   2           HA       ARG   2  -3.248 -21.855 -14.703
   14   1HB   ARG   2          2HB       ARG   2  -3.190 -19.481 -16.510
   15   2HB   ARG   2          1HB       ARG   2  -2.490 -19.324 -14.905
   16   1HG   ARG   2          2HG       ARG   2  -1.133 -21.393 -15.447
   17   2HG   ARG   2          1HG       ARG   2  -1.671 -21.183 -17.115
   18   1HD   ARG   2          2HD       ARG   2   0.563 -20.176 -16.582
   19   2HD   ARG   2          1HD       ARG   2  -0.613 -19.061 -17.276
   20    HE   ARG   2           HE       ARG   2  -0.600 -19.040 -14.410
   21   1HH1  ARG   2          1HH1      ARG   2   0.945 -17.781 -17.268
   22   2HH1  ARG   2          2HH1      ARG   2   1.518 -16.347 -16.483
   23   1HH2  ARG   2          1HH2      ARG   2   0.151 -17.156 -13.367
   24   2HH2  ARG   2          2HH2      ARG   2   1.067 -15.991 -14.265
   25    H    GLY   3           H        GLY   3  -5.247 -22.141 -13.412
   26   1HA   GLY   3          2HA       GLY   3  -6.363 -19.610 -12.416
   27   2HA   GLY   3          1HA       GLY   3  -7.085 -21.199 -12.206
   28    H    SER   4           H        SER   4  -6.418 -22.516 -10.527
   29    HA   SER   4           HA       SER   4  -5.122 -21.122  -8.340
   30   1HB   SER   4          2HB       SER   4  -6.407 -23.858  -8.493
   31   2HB   SER   4          1HB       SER   4  -5.755 -23.140  -7.021
   32    HG   SER   4           HG       SER   4  -8.163 -22.868  -7.887
   33    H    ASN   5           H        ASN   5  -4.698 -24.282  -9.937
   34    HA   ASN   5           HA       ASN   5  -2.877 -25.600 -10.267
   35   1HB   ASN   5          2HB       ASN   5  -1.495 -22.920 -10.071
   36   2HB   ASN   5          1HB       ASN   5  -0.650 -24.411 -10.475
   37   1HD2  ASN   5          1HD2      ASN   5  -0.655 -25.089 -12.516
   38   2HD2  ASN   5          2HD2      ASN   5  -1.577 -24.386 -13.797
   39    H    ALA   6           H        ALA   6  -3.755 -24.582  -7.449
   40    HA   ALA   6           HA       ALA   6  -2.044 -26.292  -5.974
   41   1HB   ALA   6          1HB       ALA   6  -0.861 -23.878  -6.380
   42   2HB   ALA   6          2HB       ALA   6  -0.537 -24.936  -5.007
   43   3HB   ALA   6          3HB       ALA   6  -1.687 -23.609  -4.845
   44    HA   PRO   7           HA       PRO   7  -5.738 -25.995  -3.519
   45   1HB   PRO   7          2HB       PRO   7  -5.067 -27.689  -1.540
   46   2HB   PRO   7          1HB       PRO   7  -5.424 -28.255  -3.177
   47   1HG   PRO   7          2HG       PRO   7  -2.780 -27.846  -1.846
   48   2HG   PRO   7          1HG       PRO   7  -3.305 -29.154  -2.923
   49   1HD   PRO   7          2HD       PRO   7  -1.783 -27.005  -3.722
   50   2HD   PRO   7          1HD       PRO   7  -2.819 -27.954  -4.806
   51    H    GLN   8           H        GLN   8  -6.456 -24.681  -1.954
   52    HA   GLN   8           HA       GLN   8  -6.516 -23.201  -0.240
   53   1HB   GLN   8          2HB       GLN   8  -3.994 -24.519   0.770
   54   2HB   GLN   8          1HB       GLN   8  -5.155 -23.585   1.704
   55   1HG   GLN   8          2HG       GLN   8  -5.565 -26.292   0.462
   56   2HG   GLN   8          1HG       GLN   8  -5.487 -25.896   2.179
   57   1HE2  GLN   8          1HE2      GLN   8  -7.584 -27.132   0.406
   58   2HE2  GLN   8          2HE2      GLN   8  -9.019 -26.230   0.744
   59    HA   PRO   9           HA       PRO   9  -3.893 -19.939  -1.688
   60   1HB   PRO   9          2HB       PRO   9  -4.641 -17.984   0.014
   61   2HB   PRO   9          1HB       PRO   9  -5.702 -18.570  -1.274
   62   1HG   PRO   9          2HG       PRO   9  -5.703 -19.259   1.640
   63   2HG   PRO   9          1HG       PRO   9  -7.075 -18.907   0.573
   64   1HD   PRO   9          2HD       PRO   9  -6.327 -21.436   1.250
   65   2HD   PRO   9          1HD       PRO   9  -7.107 -21.036  -0.294
   66    H    SER  10           H        SER  10  -1.989 -18.877  -1.178
   67    HA   SER  10           HA       SER  10  -0.884 -19.360   1.506
   68   1HB   SER  10          2HB       SER  10   0.864 -19.435  -0.937
   69   2HB   SER  10          1HB       SER  10   1.162 -20.119   0.661
   70    HG   SER  10           HG       SER  10   0.365 -21.897  -0.095
   71    H    HIS  11           H        HIS  11  -1.616 -17.158   1.883
   72    HA   HIS  11           HA       HIS  11  -0.714 -14.936   0.425
   73   1HB   HIS  11          2HB       HIS  11  -1.547 -15.200   3.320
   74   2HB   HIS  11          1HB       HIS  11  -1.225 -13.658   2.536
   75    HD2  HIS  11           2HD      HIS  11  -3.651 -16.700   1.830
   76    HE1  HIS  11           1HE      HIS  11  -5.545 -13.042   0.862
   77    HE2  HIS  11           2HE      HIS  11  -5.759 -15.567   0.827
   78    H    ILE  12           H        ILE  12   0.888 -13.353   1.002
   79    HA   ILE  12           HA       ILE  12   3.415 -14.493   1.581
   80    HB   ILE  12           HB       ILE  12   3.348 -12.597   0.130
   81   1HG1  ILE  12          2HG1      ILE  12   4.542 -11.010   2.220
   82   2HG1  ILE  12          1HG1      ILE  12   4.988 -12.702   2.424
   83   1HG2  ILE  12          1HG2      ILE  12   1.793 -11.356   2.340
   84   2HG2  ILE  12          2HG2      ILE  12   1.495 -11.344   0.602
   85   3HG2  ILE  12          3HG2      ILE  12   2.753 -10.316   1.288
   86   1HD1  ILE  12          1HD1      ILE  12   6.583 -11.384   1.063
   87   2HD1  ILE  12          2HD1      ILE  12   5.313 -11.173  -0.143
   88   3HD1  ILE  12          3HD1      ILE  12   5.919 -12.787   0.227
   89    H    SER  13           H        SER  13   4.806 -14.126   3.347
   90    HA   SER  13           HA       SER  13   3.769 -14.434   5.872
   91   1HB   SER  13          2HB       SER  13   6.197 -14.717   5.048
   92   2HB   SER  13          1HB       SER  13   6.382 -13.004   5.423
   93    HG   SER  13           HG       SER  13   5.585 -13.585   7.573
   94    H    LYS  14           H        LYS  14   4.897 -11.405   4.371
   95    HA   LYS  14           HA       LYS  14   2.916  -9.860   5.688
   96   1HB   LYS  14          2HB       LYS  14   4.562  -8.457   7.021
   97   2HB   LYS  14          1HB       LYS  14   4.191 -10.049   7.670
   98   1HG   LYS  14          2HG       LYS  14   6.271 -10.921   7.015
   99   2HG   LYS  14          1HG       LYS  14   6.598  -9.554   5.950
  100   1HD   LYS  14          2HD       LYS  14   6.136  -8.774   8.724
  101   2HD   LYS  14          1HD       LYS  14   7.524  -9.846   8.521
  102   1HE   LYS  14          2HE       LYS  14   8.552  -8.360   6.979
  103   2HE   LYS  14          1HE       LYS  14   7.089  -7.385   6.845
  104   1HZ   LYS  14          1HZ       LYS  14   8.230  -6.116   8.307
  105   2HZ   LYS  14          2HZ       LYS  14   9.120  -7.409   8.937
  106   3HZ   LYS  14          3HZ       LYS  14   7.522  -7.163   9.431
  107    H    TYR  15           H        TYR  15   2.741  -7.819   4.865
  108    HA   TYR  15           HA       TYR  15   4.523  -7.156   2.621
  109   1HB   TYR  15          2HB       TYR  15   1.719  -7.247   2.852
  110   2HB   TYR  15          1HB       TYR  15   2.125  -5.538   2.814
  111    HD1  TYR  15           1HD      TYR  15   4.133  -5.128   0.926
  112    HD2  TYR  15           2HD      TYR  15   1.070  -8.078   0.823
  113    HE1  TYR  15           1HE      TYR  15   4.320  -5.229  -1.524
  114    HE2  TYR  15           2HE      TYR  15   1.250  -8.191  -1.626
  115    HH   TYR  15           HH       TYR  15   3.424  -7.541  -3.343
  116    H    ILE  16           H        ILE  16   5.592  -5.169   2.578
  117    HA   ILE  16           HA       ILE  16   5.207  -3.484   4.968
  118    HB   ILE  16           HB       ILE  16   7.717  -3.943   3.353
  119   1HG1  ILE  16          2HG1      ILE  16   7.133  -5.634   5.096
  120   2HG1  ILE  16          1HG1      ILE  16   8.642  -4.789   5.422
  121   1HG2  ILE  16          1HG2      ILE  16   7.704  -1.614   3.800
  122   2HG2  ILE  16          2HG2      ILE  16   8.753  -2.339   5.019
  123   3HG2  ILE  16          3HG2      ILE  16   7.110  -1.857   5.444
  124   1HD1  ILE  16          1HD1      ILE  16   6.032  -3.978   6.663
  125   2HD1  ILE  16          2HD1      ILE  16   7.664  -3.511   7.141
  126   3HD1  ILE  16          3HD1      ILE  16   7.112  -5.169   7.387
  127    H    LEU  17           H        LEU  17   4.256  -1.622   4.557
  128    HA   LEU  17           HA       LEU  17   4.493  -0.495   1.855
  129   1HB   LEU  17          2HB       LEU  17   2.207  -0.892   2.504
  130   2HB   LEU  17          1HB       LEU  17   2.446  -0.070   4.033
  131    HG   LEU  17           HG       LEU  17   2.841   2.049   2.724
  132   1HD1  LEU  17          1HD1      LEU  17   2.901   2.060   0.507
  133   2HD1  LEU  17          2HD1      LEU  17   1.374   1.183   0.403
  134   3HD1  LEU  17          3HD1      LEU  17   2.892   0.298   0.559
  135   1HD2  LEU  17          1HD2      LEU  17   0.364   2.252   2.102
  136   2HD2  LEU  17          2HD2      LEU  17   0.763   1.886   3.780
  137   3HD2  LEU  17          3HD2      LEU  17   0.215   0.600   2.704
  138    H    ARG  18           H        ARG  18   5.988   1.008   1.679
  139    HA   ARG  18           HA       ARG  18   6.406   2.851   3.929
  140   1HB   ARG  18          2HB       ARG  18   8.525   2.309   1.880
  141   2HB   ARG  18          1HB       ARG  18   8.703   2.918   3.521
  142   1HG   ARG  18          2HG       ARG  18   9.224   0.871   4.168
  143   2HG   ARG  18          1HG       ARG  18   7.581   0.362   3.768
  144   1HD   ARG  18          2HD       ARG  18   9.349  -1.001   2.675
  145   2HD   ARG  18          1HD       ARG  18   8.241  -0.228   1.542
  146    HE   ARG  18           HE       ARG  18   9.970   1.330   0.991
  147   1HH1  ARG  18          1HH1      ARG  18  10.987  -1.328   3.005
  148   2HH1  ARG  18          2HH1      ARG  18  12.665  -1.144   2.618
  149   1HH2  ARG  18          1HH2      ARG  18  12.174   1.573   0.475
  150   2HH2  ARG  18          2HH2      ARG  18  13.340   0.504   1.180
  151    H    TRP  19           H        TRP  19   6.056   4.955   3.518
  152    HA   TRP  19           HA       TRP  19   6.390   5.946   0.817
  153   1HB   TRP  19          2HB       TRP  19   4.155   6.794   0.556
  154   2HB   TRP  19          1HB       TRP  19   4.077   5.066   0.859
  155    HD1  TRP  19           HD       TRP  19   2.661   8.260   1.964
  156    HE1  TRP  19           1HE      TRP  19   1.238   7.959   4.086
  157    HE3  TRP  19           3HE      TRP  19   4.138   3.547   3.266
  158    HZ2  TRP  19           2HZ      TRP  19   0.797   5.985   6.051
  159    HZ3  TRP  19           3HZ      TRP  19   3.167   2.523   5.281
  160    HH2  TRP  19           HH       TRP  19   1.532   3.717   6.644
  161    H    ARG  20           H        ARG  20   6.098   8.257   0.642
  162    HA   ARG  20           HA       ARG  20   6.047   9.866   3.022
  163   1HB   ARG  20          2HB       ARG  20   8.243  10.307   3.316
  164   2HB   ARG  20          1HB       ARG  20   8.501   8.810   2.434
  165   1HG   ARG  20          2HG       ARG  20   8.307  11.438   1.007
  166   2HG   ARG  20          1HG       ARG  20   9.820  10.889   1.728
  167   1HD   ARG  20          2HD       ARG  20   8.978   8.677   0.342
  168   2HD   ARG  20          1HD       ARG  20   8.463  10.001  -0.702
  169    HE   ARG  20           HE       ARG  20  11.202   9.280  -0.012
  170   1HH1  ARG  20          1HH1      ARG  20   9.018  11.489  -1.588
  171   2HH1  ARG  20          2HH1      ARG  20  10.249  12.206  -2.573
  172   1HH2  ARG  20          1HH2      ARG  20  12.830  10.221  -1.303
  173   2HH2  ARG  20          2HH2      ARG  20  12.415  11.485  -2.411
  174    HA   PRO  21           HA       PRO  21   4.569  12.954   0.258
  175   1HB   PRO  21          2HB       PRO  21   6.588  14.884   1.271
  176   2HB   PRO  21          1HB       PRO  21   4.828  15.016   1.225
  177   1HG   PRO  21          2HG       PRO  21   6.092  14.550   3.524
  178   2HG   PRO  21          1HG       PRO  21   4.548  13.762   3.156
  179   1HD   PRO  21          2HD       PRO  21   7.322  12.653   3.046
  180   2HD   PRO  21          1HD       PRO  21   5.819  11.888   3.600
  181    H    LYS  22           H        LYS  22   4.970  12.820  -1.830
  182    HA   LYS  22           HA       LYS  22   7.495  12.389  -2.971
  183   1HB   LYS  22          2HB       LYS  22   5.071  11.952  -3.861
  184   2HB   LYS  22          1HB       LYS  22   5.242  13.559  -4.553
  185   1HG   LYS  22          2HG       LYS  22   7.595  12.200  -5.216
  186   2HG   LYS  22          1HG       LYS  22   6.280  11.051  -5.477
  187   1HD   LYS  22          2HD       LYS  22   5.250  12.397  -7.064
  188   2HD   LYS  22          1HD       LYS  22   6.054  13.860  -6.490
  189   1HE   LYS  22          2HE       LYS  22   8.060  12.037  -7.315
  190   2HE   LYS  22          1HE       LYS  22   6.837  12.091  -8.582
  191   1HZ   LYS  22          1HZ       LYS  22   8.481  13.770  -8.985
  192   2HZ   LYS  22          2HZ       LYS  22   8.291  14.410  -7.432
  193   3HZ   LYS  22          3HZ       LYS  22   7.033  14.532  -8.555
  194    H    ASN  23           H        ASN  23   5.744  15.330  -2.272
  195    HA   ASN  23           HA       ASN  23   7.715  16.911  -3.760
  196   1HB   ASN  23          2HB       ASN  23   6.211  18.791  -3.479
  197   2HB   ASN  23          1HB       ASN  23   5.309  17.411  -4.099
  198   1HD2  ASN  23          1HD2      ASN  23   4.853  19.900  -2.270
  199   2HD2  ASN  23          2HD2      ASN  23   3.862  19.256  -1.010
  200    H    SER  24           H        SER  24   6.403  16.502  -0.495
  201    HA   SER  24           HA       SER  24   8.284  18.429   0.592
  202   1HB   SER  24          2HB       SER  24   5.757  17.502   1.368
  203   2HB   SER  24          1HB       SER  24   6.870  16.885   2.591
  204    HG   SER  24           HG       SER  24   6.606  18.841   3.359
  205    H    VAL  25           H        VAL  25   9.678  17.875   2.415
  206    HA   VAL  25           HA       VAL  25  10.892  15.229   2.026
  207    HB   VAL  25           HB       VAL  25  12.350  17.193   1.648
  208   1HG1  VAL  25          1HG1      VAL  25  11.866  18.927   3.013
  209   2HG1  VAL  25          2HG1      VAL  25  13.094  18.178   4.033
  210   3HG1  VAL  25          3HG1      VAL  25  11.385  17.881   4.350
  211   1HG2  VAL  25          1HG2      VAL  25  13.178  15.609   4.075
  212   2HG2  VAL  25          2HG2      VAL  25  14.238  16.389   2.903
  213   3HG2  VAL  25          3HG2      VAL  25  13.250  15.011   2.418
  214    H    GLY  26           H        GLY  26  11.429  13.918   3.790
  215   1HA   GLY  26          2HA       GLY  26  11.303  14.448   6.470
  216   2HA   GLY  26          1HA       GLY  26   9.635  14.123   6.022
  217    H    ARG  27           H        ARG  27   9.928  12.352   7.595
  218    HA   ARG  27           HA       ARG  27  11.551  10.112   6.702
  219   1HB   ARG  27          2HB       ARG  27  10.096  10.838   9.183
  220   2HB   ARG  27          1HB       ARG  27  10.236   9.122   8.828
  221   1HG   ARG  27          2HG       ARG  27  12.398   9.071   9.370
  222   2HG   ARG  27          1HG       ARG  27  12.744  10.575   8.513
  223   1HD   ARG  27          2HD       ARG  27  11.907  11.868  10.382
  224   2HD   ARG  27          1HD       ARG  27  11.435  10.395  11.226
  225    HE   ARG  27           HE       ARG  27  13.779   9.875  11.476
  226   1HH1  ARG  27          1HH1      ARG  27  13.029  13.111  10.424
  227   2HH1  ARG  27          2HH1      ARG  27  14.553  13.765  10.922
  228   1HH2  ARG  27          1HH2      ARG  27  15.788  10.728  12.136
  229   2HH2  ARG  27          2HH2      ARG  27  16.122  12.410  11.894
  230    H    TRP  28           H        TRP  28  10.666   7.987   6.384
  231    HA   TRP  28           HA       TRP  28   8.219   8.052   4.860
  232   1HB   TRP  28          2HB       TRP  28  10.190   5.847   5.479
  233   2HB   TRP  28          1HB       TRP  28   8.745   5.601   4.506
  234    HD1  TRP  28           HD       TRP  28  11.553   8.299   4.388
  235    HE1  TRP  28           1HE      TRP  28  12.346   8.496   1.947
  236    HE3  TRP  28           3HE      TRP  28   8.545   4.749   2.265
  237    HZ2  TRP  28           2HZ      TRP  28  11.773   7.305  -0.547
  238    HZ3  TRP  28           3HZ      TRP  28   8.731   4.340  -0.154
  239    HH2  TRP  28           HH       TRP  28  10.312   5.592  -1.530
  240    H    LYS  29           H        LYS  29   7.008   5.680   5.235
  241    HA   LYS  29           HA       LYS  29   6.396   5.411   8.084
  242   1HB   LYS  29          2HB       LYS  29   4.101   5.516   6.166
  243   2HB   LYS  29          1HB       LYS  29   4.117   5.813   7.898
  244   1HG   LYS  29          2HG       LYS  29   5.663   7.851   7.031
  245   2HG   LYS  29          1HG       LYS  29   4.574   7.653   5.657
  246   1HD   LYS  29          2HD       LYS  29   3.442   9.168   7.008
  247   2HD   LYS  29          1HD       LYS  29   2.704   7.623   7.438
  248   1HE   LYS  29          2HE       LYS  29   4.683   7.649   9.227
  249   2HE   LYS  29          1HE       LYS  29   4.487   9.388   9.015
  250   1HZ   LYS  29          1HZ       LYS  29   3.035   8.884  10.724
  251   2HZ   LYS  29          2HZ       LYS  29   2.541   7.422  10.033
  252   3HZ   LYS  29          3HZ       LYS  29   2.011   8.888   9.377
  253    H    GLU  30           H        GLU  30   5.685   3.345   8.650
  254    HA   GLU  30           HA       GLU  30   5.722   1.393   6.444
  255   1HB   GLU  30          2HB       GLU  30   6.856   1.196   9.226
  256   2HB   GLU  30          1HB       GLU  30   6.569  -0.222   8.226
  257   1HG   GLU  30          2HG       GLU  30   8.108   0.571   6.564
  258   2HG   GLU  30          1HG       GLU  30   8.312   2.095   7.427
  259    H    ALA  31           H        ALA  31   4.107   0.011   6.266
  260    HA   ALA  31           HA       ALA  31   2.289  -0.438   8.516
  261   1HB   ALA  31          1HB       ALA  31   1.149   0.106   5.796
  262   2HB   ALA  31          2HB       ALA  31   1.477   1.425   6.919
  263   3HB   ALA  31          3HB       ALA  31   0.349   0.146   7.368
  264    H    THR  32           H        THR  32   2.162  -2.575   8.781
  265    HA   THR  32           HA       THR  32   2.915  -4.344   6.623
  266    HB   THR  32           HB       THR  32   2.081  -5.010   9.450
  267    HG1  THR  32           1HG      THR  32   4.702  -5.366   8.626
  268   1HG2  THR  32          1HG2      THR  32   3.202  -6.691   7.211
  269   2HG2  THR  32          2HG2      THR  32   1.717  -6.949   8.128
  270   3HG2  THR  32          3HG2      THR  32   3.284  -7.179   8.904
  271    H    ILE  33           H        ILE  33   1.638  -5.565   5.417
  272    HA   ILE  33           HA       ILE  33  -1.218  -5.746   6.115
  273    HB   ILE  33           HB       ILE  33  -0.221  -5.702   3.273
  274   1HG1  ILE  33          2HG1      ILE  33  -1.359  -3.348   4.795
  275   2HG1  ILE  33          1HG1      ILE  33   0.355  -3.562   4.452
  276   1HG2  ILE  33          1HG2      ILE  33  -2.765  -6.072   4.585
  277   2HG2  ILE  33          2HG2      ILE  33  -2.321  -6.330   2.898
  278   3HG2  ILE  33          3HG2      ILE  33  -2.822  -4.728   3.444
  279   1HD1  ILE  33          1HD1      ILE  33   0.027  -2.467   2.560
  280   2HD1  ILE  33          2HD1      ILE  33  -1.721  -2.480   2.795
  281   3HD1  ILE  33          3HD1      ILE  33  -0.930  -3.836   1.992
  282    HA   PRO  34           HA       PRO  34   0.142 -10.056   6.056
  283   1HB   PRO  34          2HB       PRO  34  -2.640 -10.537   6.884
  284   2HB   PRO  34          1HB       PRO  34  -1.137 -10.984   7.691
  285   1HG   PRO  34          2HG       PRO  34  -2.719  -9.036   8.637
  286   2HG   PRO  34          1HG       PRO  34  -0.952  -8.950   8.764
  287   1HD   PRO  34          2HD       PRO  34  -2.787  -7.568   6.848
  288   2HD   PRO  34          1HD       PRO  34  -1.342  -6.946   7.671
  289    H    GLY  35           H        GLY  35   0.320 -10.600   3.938
  290   1HA   GLY  35          2HA       GLY  35  -0.261 -11.487   1.909
  291   2HA   GLY  35          1HA       GLY  35  -1.673 -12.131   2.729
  292    H    HIS  36           H        HIS  36  -3.638 -11.057   2.579
  293    HA   HIS  36           HA       HIS  36  -3.763  -8.622   0.978
  294   1HB   HIS  36          2HB       HIS  36  -3.897 -10.744  -0.492
  295   2HB   HIS  36          1HB       HIS  36  -5.494 -10.960   0.212
  296    HD2  HIS  36           2HD      HIS  36  -5.054  -7.285  -0.268
  297    HE1  HIS  36           1HE      HIS  36  -6.740  -8.741  -3.866
  298    HE2  HIS  36           2HE      HIS  36  -6.365  -6.689  -2.426
  299    H    LEU  37           H        LEU  37  -4.906  -7.297   2.215
  300    HA   LEU  37           HA       LEU  37  -6.912  -8.291   4.044
  301   1HB   LEU  37          2HB       LEU  37  -5.286  -5.967   3.839
  302   2HB   LEU  37          1HB       LEU  37  -6.959  -5.444   3.836
  303    HG   LEU  37           HG       LEU  37  -6.272  -5.389   6.091
  304   1HD1  LEU  37          1HD1      LEU  37  -7.438  -7.898   6.671
  305   2HD1  LEU  37          2HD1      LEU  37  -8.242  -7.256   5.239
  306   3HD1  LEU  37          3HD1      LEU  37  -8.189  -6.303   6.721
  307   1HD2  LEU  37          1HD2      LEU  37  -5.511  -8.076   6.648
  308   2HD2  LEU  37          2HD2      LEU  37  -4.574  -6.594   6.841
  309   3HD2  LEU  37          3HD2      LEU  37  -4.532  -7.471   5.311
  310    H    ASN  38           H        ASN  38  -6.878  -7.618   0.837
  311    HA   ASN  38           HA       ASN  38  -8.525  -7.527  -0.728
  312   1HB   ASN  38          2HB       ASN  38  -9.889  -8.568   1.398
  313   2HB   ASN  38          1HB       ASN  38 -10.796  -7.090   1.095
  314   1HD2  ASN  38          1HD2      ASN  38  -9.108  -9.184  -1.191
  315   2HD2  ASN  38          2HD2      ASN  38 -10.508  -9.613  -2.106
  316    H    SER  39           H        SER  39  -9.645  -5.439   1.950
  317    HA   SER  39           HA       SER  39  -9.428  -3.158   0.103
  318   1HB   SER  39          2HB       SER  39 -11.798  -4.195   1.260
  319   2HB   SER  39          1HB       SER  39 -11.457  -2.667   2.072
  320    HG   SER  39           HG       SER  39 -12.711  -2.451   0.126
  321    H    TYR  40           H        TYR  40  -7.697  -2.095   0.831
  322    HA   TYR  40           HA       TYR  40  -7.625  -1.377   3.687
  323   1HB   TYR  40          2HB       TYR  40  -5.862  -3.043   3.140
  324   2HB   TYR  40          1HB       TYR  40  -5.220  -1.935   1.932
  325    HD1  TYR  40           1HD      TYR  40  -3.918  -0.012   2.575
  326    HD2  TYR  40           2HD      TYR  40  -5.639  -2.539   5.535
  327    HE1  TYR  40           1HE      TYR  40  -2.515   1.052   4.291
  328    HE2  TYR  40           2HE      TYR  40  -4.239  -1.483   7.258
  329    HH   TYR  40           HH       TYR  40  -1.974   1.132   6.441
  330    H    THR  41           H        THR  41  -7.977   0.725   3.892
  331    HA   THR  41           HA       THR  41  -6.886   2.540   1.840
  332    HB   THR  41           HB       THR  41  -9.253   2.644   1.623
  333    HG1  THR  41           1HG      THR  41  -8.060   4.703   1.854
  334   1HG2  THR  41          1HG2      THR  41  -9.199   2.253   4.508
  335   2HG2  THR  41          2HG2      THR  41 -10.471   1.888   3.343
  336   3HG2  THR  41          3HG2      THR  41 -10.329   3.513   4.013
  337    H    ILE  42           H        ILE  42  -5.912   4.431   2.512
  338    HA   ILE  42           HA       ILE  42  -5.081   4.472   5.310
  339    HB   ILE  42           HB       ILE  42  -4.067   6.205   3.055
  340   1HG1  ILE  42          2HG1      ILE  42  -2.636   3.790   4.131
  341   2HG1  ILE  42          1HG1      ILE  42  -3.810   3.629   2.828
  342   1HG2  ILE  42          1HG2      ILE  42  -2.028   6.036   4.769
  343   2HG2  ILE  42          2HG2      ILE  42  -3.364   5.839   5.904
  344   3HG2  ILE  42          3HG2      ILE  42  -3.276   7.277   4.887
  345   1HD1  ILE  42          1HD1      ILE  42  -1.101   4.267   2.620
  346   2HD1  ILE  42          2HD1      ILE  42  -1.976   5.752   2.245
  347   3HD1  ILE  42          3HD1      ILE  42  -2.313   4.278   1.339
  348    H    LYS  43           H        LYS  43  -5.715   6.004   6.726
  349    HA   LYS  43           HA       LYS  43  -7.444   8.153   5.695
  350   1HB   LYS  43          2HB       LYS  43  -7.442   6.927   8.455
  351   2HB   LYS  43          1HB       LYS  43  -8.569   8.134   7.850
  352   1HG   LYS  43          2HG       LYS  43  -9.890   6.557   7.039
  353   2HG   LYS  43          1HG       LYS  43  -8.562   5.870   6.102
  354   1HD   LYS  43          2HD       LYS  43  -8.690   4.082   7.429
  355   2HD   LYS  43          1HD       LYS  43  -8.037   5.094   8.718
  356   1HE   LYS  43          2HE       LYS  43 -10.966   5.154   8.159
  357   2HE   LYS  43          1HE       LYS  43 -10.288   3.790   9.047
  358   1HZ   LYS  43          1HZ       LYS  43 -10.659   5.139  10.791
  359   2HZ   LYS  43          2HZ       LYS  43 -10.617   6.556   9.869
  360   3HZ   LYS  43          3HZ       LYS  43  -9.173   5.818  10.348
  361    H    GLY  44           H        GLY  44  -7.352  10.221   6.725
  362   1HA   GLY  44          2HA       GLY  44  -6.350  11.834   8.145
  363   2HA   GLY  44          1HA       GLY  44  -5.000  10.737   8.395
  364    H    LEU  45           H        LEU  45  -6.399  11.690   5.291
  365    HA   LEU  45           HA       LEU  45  -3.910  13.149   4.703
  366   1HB   LEU  45          2HB       LEU  45  -5.191  11.900   2.388
  367   2HB   LEU  45          1HB       LEU  45  -3.495  11.975   2.833
  368    HG   LEU  45           HG       LEU  45  -5.409  10.069   4.164
  369   1HD1  LEU  45          1HD1      LEU  45  -5.548   9.480   1.874
  370   2HD1  LEU  45          2HD1      LEU  45  -4.401   8.361   2.609
  371   3HD1  LEU  45          3HD1      LEU  45  -3.816   9.711   1.637
  372   1HD2  LEU  45          1HD2      LEU  45  -2.695   9.196   3.896
  373   2HD2  LEU  45          2HD2      LEU  45  -3.638   9.472   5.361
  374   3HD2  LEU  45          3HD2      LEU  45  -2.736  10.800   4.631
  375    H    LYS  46           H        LYS  46  -4.192  14.524   2.644
  376    HA   LYS  46           HA       LYS  46  -6.885  15.541   2.260
  377   1HB   LYS  46          2HB       LYS  46  -6.594  17.145   3.816
  378   2HB   LYS  46          1HB       LYS  46  -4.858  16.890   3.886
  379   1HG   LYS  46          2HG       LYS  46  -5.589  18.184   1.419
  380   2HG   LYS  46          1HG       LYS  46  -6.215  19.073   2.808
  381   1HD   LYS  46          2HD       LYS  46  -3.514  18.193   3.293
  382   2HD   LYS  46          1HD       LYS  46  -3.609  19.122   1.796
  383   1HE   LYS  46          2HE       LYS  46  -3.906  21.037   2.900
  384   2HE   LYS  46          1HE       LYS  46  -5.162  20.335   3.919
  385   1HZ   LYS  46          1HZ       LYS  46  -3.648  19.715   5.512
  386   2HZ   LYS  46          2HZ       LYS  46  -2.970  21.168   4.975
  387   3HZ   LYS  46          3HZ       LYS  46  -2.339  19.693   4.440
  388    HA   PRO  47           HA       PRO  47  -5.458  15.793  -1.932
  389   1HB   PRO  47          2HB       PRO  47  -7.335  18.098  -2.096
  390   2HB   PRO  47          1HB       PRO  47  -7.231  16.655  -3.111
  391   1HG   PRO  47          2HG       PRO  47  -9.174  16.911  -1.309
  392   2HG   PRO  47          1HG       PRO  47  -8.396  15.342  -1.598
  393   1HD   PRO  47          2HD       PRO  47  -8.026  17.258   0.665
  394   2HD   PRO  47          1HD       PRO  47  -8.032  15.482   0.677
  395    H    GLY  48           H        GLY  48  -4.289  17.194  -3.345
  396   1HA   GLY  48          2HA       GLY  48  -3.406  19.423  -3.810
  397   2HA   GLY  48          1HA       GLY  48  -3.324  19.678  -2.074
  398    H    VAL  49           H        VAL  49  -1.968  17.825  -0.967
  399    HA   VAL  49           HA       VAL  49   0.681  18.076  -2.043
  400    HB   VAL  49           HB       VAL  49   0.694  18.195   0.272
  401   1HG1  VAL  49          1HG1      VAL  49  -1.274  15.924   0.233
  402   2HG1  VAL  49          2HG1      VAL  49  -1.503  17.569   0.825
  403   3HG1  VAL  49          3HG1      VAL  49  -0.464  16.452   1.707
  404   1HG2  VAL  49          1HG2      VAL  49   1.688  15.656  -0.799
  405   2HG2  VAL  49          2HG2      VAL  49   1.402  15.628   0.940
  406   3HG2  VAL  49          3HG2      VAL  49   2.483  16.836   0.243
  407    H    VAL  50           H        VAL  50   1.863  16.621  -3.134
  408    HA   VAL  50           HA       VAL  50   0.555  14.219  -4.083
  409    HB   VAL  50           HB       VAL  50   1.822  15.492  -5.698
  410   1HG1  VAL  50          1HG1      VAL  50   3.402  16.597  -4.273
  411   2HG1  VAL  50          2HG1      VAL  50   4.288  15.695  -5.503
  412   3HG1  VAL  50          3HG1      VAL  50   4.170  15.065  -3.860
  413   1HG2  VAL  50          1HG2      VAL  50   3.532  13.698  -6.377
  414   2HG2  VAL  50          2HG2      VAL  50   1.835  13.229  -6.269
  415   3HG2  VAL  50          3HG2      VAL  50   2.950  12.810  -4.969
  416    H    TYR  51           H        TYR  51   1.231  12.108  -3.692
  417    HA   TYR  51           HA       TYR  51   3.172  11.782  -1.501
  418   1HB   TYR  51          2HB       TYR  51   0.428  11.233  -1.432
  419   2HB   TYR  51          1HB       TYR  51   1.193   9.664  -1.614
  420    HD1  TYR  51           1HD      TYR  51  -0.421  10.328   0.726
  421    HD2  TYR  51           2HD      TYR  51   3.728  10.963   0.037
  422    HE1  TYR  51           1HE      TYR  51  -0.020  10.291   3.149
  423    HE2  TYR  51           2HE      TYR  51   4.140  10.926   2.456
  424    HH   TYR  51           HH       TYR  51   3.226  10.316   4.471
  425    H    GLU  52           H        GLU  52   4.629  10.154  -1.651
  426    HA   GLU  52           HA       GLU  52   4.573   8.541  -4.115
  427   1HB   GLU  52          2HB       GLU  52   6.597   9.824  -4.007
  428   2HB   GLU  52          1HB       GLU  52   6.852   9.397  -2.320
  429   1HG   GLU  52          2HG       GLU  52   8.383   8.181  -3.730
  430   2HG   GLU  52          1HG       GLU  52   7.240   7.069  -2.978
  431    H    GLY  53           H        GLY  53   4.264   6.364  -3.910
  432   1HA   GLY  53          2HA       GLY  53   4.453   5.282  -1.167
  433   2HA   GLY  53          1HA       GLY  53   3.153   4.858  -2.264
  434    H    GLN  54           H        GLN  54   5.188   3.277  -0.814
  435    HA   GLN  54           HA       GLN  54   6.115   1.699  -3.112
  436   1HB   GLN  54          2HB       GLN  54   7.726   2.747  -0.832
  437   2HB   GLN  54          1HB       GLN  54   8.098   1.135  -1.429
  438   1HG   GLN  54          2HG       GLN  54   7.928   2.632  -3.731
  439   2HG   GLN  54          1HG       GLN  54   8.680   3.737  -2.581
  440   1HE2  GLN  54          1HE2      GLN  54  10.174   3.065  -4.645
  441   2HE2  GLN  54          2HE2      GLN  54  11.403   1.931  -4.211
  442    H    LEU  55           H        LEU  55   5.560  -0.402  -2.968
  443    HA   LEU  55           HA       LEU  55   4.798  -1.450  -0.321
  444   1HB   LEU  55          2HB       LEU  55   2.941  -0.901  -2.065
  445   2HB   LEU  55          1HB       LEU  55   3.484  -2.366  -2.856
  446    HG   LEU  55           HG       LEU  55   2.707  -3.737  -1.143
  447   1HD1  LEU  55          1HD1      LEU  55   2.795  -1.300   0.604
  448   2HD1  LEU  55          2HD1      LEU  55   3.654  -2.828   0.800
  449   3HD1  LEU  55          3HD1      LEU  55   1.911  -2.755   1.064
  450   1HD2  LEU  55          1HD2      LEU  55   0.437  -2.455  -0.463
  451   2HD2  LEU  55          2HD2      LEU  55   0.700  -3.235  -2.023
  452   3HD2  LEU  55          3HD2      LEU  55   0.943  -1.497  -1.854
  453    H    ILE  56           H        ILE  56   6.389  -2.812   0.211
  454    HA   ILE  56           HA       ILE  56   7.337  -4.720  -1.827
  455    HB   ILE  56           HB       ILE  56   8.805  -3.622   0.569
  456   1HG1  ILE  56          2HG1      ILE  56  10.329  -3.152  -1.675
  457   2HG1  ILE  56          1HG1      ILE  56   8.692  -2.923  -2.283
  458   1HG2  ILE  56          1HG2      ILE  56  10.484  -5.077  -1.225
  459   2HG2  ILE  56          2HG2      ILE  56   9.135  -6.103  -0.738
  460   3HG2  ILE  56          3HG2      ILE  56  10.171  -5.369   0.486
  461   1HD1  ILE  56          1HD1      ILE  56   9.203  -1.605   0.269
  462   2HD1  ILE  56          2HD1      ILE  56   8.442  -0.992  -1.199
  463   3HD1  ILE  56          3HD1      ILE  56  10.201  -1.022  -1.063
  464    H    SER  57           H        SER  57   6.593  -6.703  -1.516
  465    HA   SER  57           HA       SER  57   5.631  -7.570   1.065
  466   1HB   SER  57          2HB       SER  57   4.886  -8.156  -1.493
  467   2HB   SER  57          1HB       SER  57   5.863  -9.567  -1.091
  468    HG   SER  57           HG       SER  57   3.520  -9.591  -0.539
  469    H    ILE  58           H        ILE  58   6.747  -8.700   2.508
  470    HA   ILE  58           HA       ILE  58   9.334  -9.842   1.690
  471    HB   ILE  58           HB       ILE  58   8.493  -8.876   4.422
  472   1HG1  ILE  58          2HG1      ILE  58   8.908  -7.136   2.614
  473   2HG1  ILE  58          1HG1      ILE  58   9.877  -6.985   4.073
  474   1HG2  ILE  58          1HG2      ILE  58  11.290  -9.172   4.226
  475   2HG2  ILE  58          2HG2      ILE  58  10.569 -10.659   3.610
  476   3HG2  ILE  58          3HG2      ILE  58  10.165 -10.089   5.229
  477   1HD1  ILE  58          1HD1      ILE  58  10.811  -8.229   1.500
  478   2HD1  ILE  58          2HD1      ILE  58  11.780  -7.952   2.947
  479   3HD1  ILE  58          3HD1      ILE  58  11.160  -6.582   2.024
  480    H    GLN  59           H        GLN  59   9.538 -11.971   1.771
  481    HA   GLN  59           HA       GLN  59   7.565 -13.521   3.301
  482   1HB   GLN  59          2HB       GLN  59   8.744 -13.832   0.678
  483   2HB   GLN  59          1HB       GLN  59   9.014 -15.269   1.655
  484   1HG   GLN  59          2HG       GLN  59   6.286 -14.104   1.604
  485   2HG   GLN  59          1HG       GLN  59   6.852 -14.970   0.178
  486   1HE2  GLN  59          1HE2      GLN  59   6.164 -16.977   0.159
  487   2HE2  GLN  59          2HE2      GLN  59   6.007 -18.019   1.528
  488    H    GLN  60           H        GLN  60   8.679 -15.866   3.726
  489    HA   GLN  60           HA       GLN  60  10.501 -15.403   5.836
  490   1HB   GLN  60          2HB       GLN  60  10.120 -18.098   4.569
  491   2HB   GLN  60          1HB       GLN  60  10.391 -17.703   6.260
  492   1HG   GLN  60          2HG       GLN  60   8.046 -16.449   5.856
  493   2HG   GLN  60          1HG       GLN  60   7.897 -17.775   4.703
  494   1HE2  GLN  60          1HE2      GLN  60   7.403 -16.847   7.842
  495   2HE2  GLN  60          2HE2      GLN  60   7.258 -18.405   8.574
  496    H    TYR  61           H        TYR  61  10.971 -15.687   2.503
  497    HA   TYR  61           HA       TYR  61  13.759 -16.548   2.816
  498   1HB   TYR  61          2HB       TYR  61  12.453 -16.093   0.156
  499   2HB   TYR  61          1HB       TYR  61  13.754 -17.200   0.580
  500    HD1  TYR  61           1HD      TYR  61  13.209 -19.292   1.860
  501    HD2  TYR  61           2HD      TYR  61  10.190 -16.779   0.227
  502    HE1  TYR  61           1HE      TYR  61  11.583 -21.127   2.059
  503    HE2  TYR  61           2HE      TYR  61   8.556 -18.605   0.422
  504    HH   TYR  61           HH       TYR  61   8.539 -21.057   0.557
  505    H    GLY  62           H        GLY  62  12.029 -13.752   2.784
  506   1HA   GLY  62          2HA       GLY  62  13.350 -11.697   3.018
  507   2HA   GLY  62          1HA       GLY  62  14.306 -12.248   1.650
  508    H    HIS  63           H        HIS  63  13.751 -10.026   0.894
  509    HA   HIS  63           HA       HIS  63  11.113  -9.326   0.181
  510   1HB   HIS  63          2HB       HIS  63  12.206  -7.645  -1.308
  511   2HB   HIS  63          1HB       HIS  63  12.803  -7.614   0.348
  512    HD2  HIS  63           2HD      HIS  63  14.184  -7.495  -3.079
  513    HE1  HIS  63           1HE      HIS  63  17.201  -9.287  -0.711
  514    HE2  HIS  63           2HE      HIS  63  16.630  -8.356  -3.000
  515    H    GLN  64           H        GLN  64   9.954  -9.573  -1.691
  516    HA   GLN  64           HA       GLN  64  11.189 -10.989  -3.924
  517   1HB   GLN  64          2HB       GLN  64   8.550 -12.069  -3.429
  518   2HB   GLN  64          1HB       GLN  64  10.072 -12.911  -3.684
  519   1HG   GLN  64          2HG       GLN  64   9.888 -11.707  -1.046
  520   2HG   GLN  64          1HG       GLN  64   8.596 -12.865  -1.366
  521   1HE2  GLN  64          1HE2      GLN  64   9.027 -14.917  -1.002
  522   2HE2  GLN  64          2HE2      GLN  64  10.599 -15.621  -0.871
  523    H    GLU  65           H        GLU  65   8.124  -9.643  -2.713
  524    HA   GLU  65           HA       GLU  65   7.447  -8.795  -5.428
  525   1HB   GLU  65          2HB       GLU  65   5.935  -9.831  -3.340
  526   2HB   GLU  65          1HB       GLU  65   5.512  -8.125  -3.362
  527   1HG   GLU  65          2HG       GLU  65   4.746  -8.243  -5.591
  528   2HG   GLU  65          1HG       GLU  65   5.465  -9.835  -5.829
  529    H    VAL  66           H        VAL  66   7.688  -6.772  -6.095
  530    HA   VAL  66           HA       VAL  66   7.754  -4.608  -4.113
  531    HB   VAL  66           HB       VAL  66  10.027  -4.749  -4.421
  532   1HG1  VAL  66          1HG1      VAL  66  11.162  -5.476  -6.380
  533   2HG1  VAL  66          2HG1      VAL  66   9.697  -5.339  -7.354
  534   3HG1  VAL  66          3HG1      VAL  66   9.813  -6.582  -6.106
  535   1HG2  VAL  66          1HG2      VAL  66   9.168  -2.507  -5.112
  536   2HG2  VAL  66          2HG2      VAL  66   9.301  -3.031  -6.790
  537   3HG2  VAL  66          3HG2      VAL  66  10.745  -2.920  -5.785
  538    H    THR  67           H        THR  67   6.367  -3.051  -4.627
  539    HA   THR  67           HA       THR  67   5.831  -2.475  -7.455
  540    HB   THR  67           HB       THR  67   3.539  -2.440  -5.530
  541    HG1  THR  67           1HG      THR  67   4.868  -4.680  -6.434
  542   1HG2  THR  67          1HG2      THR  67   3.965  -2.120  -8.372
  543   2HG2  THR  67          2HG2      THR  67   2.540  -1.747  -7.402
  544   3HG2  THR  67          3HG2      THR  67   2.772  -3.374  -8.043
  545    H    ARG  68           H        ARG  68   5.814  -0.353  -7.904
  546    HA   ARG  68           HA       ARG  68   5.754   1.523  -5.634
  547   1HB   ARG  68          2HB       ARG  68   6.911   2.155  -8.338
  548   2HB   ARG  68          1HB       ARG  68   7.222   2.948  -6.799
  549   1HG   ARG  68          2HG       ARG  68   8.451   1.018  -6.015
  550   2HG   ARG  68          1HG       ARG  68   8.075   0.147  -7.502
  551   1HD   ARG  68          2HD       ARG  68   9.649   2.715  -7.347
  552   2HD   ARG  68          1HD       ARG  68  10.352   1.105  -7.494
  553    HE   ARG  68           HE       ARG  68   9.466   0.960  -9.694
  554   1HH1  ARG  68          1HH1      ARG  68   9.008   4.070  -8.192
  555   2HH1  ARG  68          2HH1      ARG  68   8.725   4.894  -9.688
  556   1HH2  ARG  68          1HH2      ARG  68   9.091   2.035 -11.668
  557   2HH2  ARG  68          2HH2      ARG  68   8.772   3.738 -11.664
  558    H    PHE  69           H        PHE  69   4.389   3.260  -5.663
  559    HA   PHE  69           HA       PHE  69   2.922   3.971  -8.045
  560   1HB   PHE  69          2HB       PHE  69   0.696   3.667  -6.813
  561   2HB   PHE  69          1HB       PHE  69   1.468   2.223  -7.459
  562    HD1  PHE  69           1HD      PHE  69   2.407   0.553  -5.996
  563    HD2  PHE  69           2HD      PHE  69   0.576   4.059  -4.426
  564    HE1  PHE  69           1HE      PHE  69   2.324  -0.492  -3.772
  565    HE2  PHE  69           2HE      PHE  69   0.492   3.023  -2.198
  566    HZ   PHE  69           HZ       PHE  69   1.366   0.743  -1.868
  567    H    ASP  70           H        ASP  70   2.567   6.073  -8.073
  568    HA   ASP  70           HA       ASP  70   2.927   7.591  -5.597
  569   1HB   ASP  70          2HB       ASP  70   2.751   9.526  -7.426
  570   2HB   ASP  70          1HB       ASP  70   4.253   8.653  -7.142
  571    H    PHE  71           H        PHE  71   1.227   8.382  -4.537
  572    HA   PHE  71           HA       PHE  71  -1.293   8.721  -6.020
  573   1HB   PHE  71          2HB       PHE  71  -2.511   7.994  -4.017
  574   2HB   PHE  71          1HB       PHE  71  -1.439   6.733  -4.625
  575    HD1  PHE  71           1HD      PHE  71   0.977   6.768  -3.492
  576    HD2  PHE  71           2HD      PHE  71  -2.575   8.360  -1.771
  577    HE1  PHE  71           1HE      PHE  71   1.967   6.546  -1.252
  578    HE2  PHE  71           2HE      PHE  71  -1.590   8.144   0.472
  579    HZ   PHE  71           HZ       PHE  71   0.684   7.234   0.734
  580    H    THR  72           H        THR  72  -2.843  10.204  -4.987
  581    HA   THR  72           HA       THR  72  -1.417  12.483  -3.795
  582    HB   THR  72           HB       THR  72  -3.298  13.875  -4.618
  583    HG1  THR  72           1HG      THR  72  -4.185  11.888  -6.340
  584   1HG2  THR  72          1HG2      THR  72  -1.408  13.848  -6.028
  585   2HG2  THR  72          2HG2      THR  72  -2.781  13.550  -7.093
  586   3HG2  THR  72          3HG2      THR  72  -1.750  12.211  -6.589
  587    H    THR  73           H        THR  73  -2.829  13.910  -2.423
  588    HA   THR  73           HA       THR  73  -4.315  14.303  -0.720
  589    HB   THR  73           HB       THR  73  -5.148  11.407  -0.694
  590    HG1  THR  73           1HG      THR  73  -6.714  13.267  -2.051
  591   1HG2  THR  73          1HG2      THR  73  -5.729  13.293   1.085
  592   2HG2  THR  73          2HG2      THR  73  -6.914  12.083   0.594
  593   3HG2  THR  73          3HG2      THR  73  -6.956  13.697  -0.116
  594    H    THR  74           H        THR  74  -2.880  14.749   0.817
  595    HA   THR  74           HA       THR  74  -2.175  12.634   2.695
  596    HB   THR  74           HB       THR  74   0.032  12.633   2.355
  597    HG1  THR  74           1HG      THR  74   1.171  14.405   2.744
  598   1HG2  THR  74          1HG2      THR  74  -0.854  14.159  -0.079
  599   2HG2  THR  74          2HG2      THR  74  -0.411  12.455   0.054
  600   3HG2  THR  74          3HG2      THR  74   0.833  13.702   0.161
  601    H    SER  75           H        SER  75  -1.599  13.447   4.812
  602    HA   SER  75           HA       SER  75  -1.716  16.278   5.316
  603   1HB   SER  75          2HB       SER  75  -4.150  15.402   5.053
  604   2HB   SER  75          1HB       SER  75  -3.890  14.689   6.645
  605    HG   SER  75           HG       SER  75  -4.398  17.257   5.983
  606    H    THR  76           H        THR  76  -0.813  13.179   6.142
  607    HA   THR  76           HA       THR  76  -0.625  13.464   8.971
  608    HB   THR  76           HB       THR  76  -0.621  11.237   8.330
  609    HG1  THR  76           1HG      THR  76   1.002  11.304   9.798
  610   1HG2  THR  76          1HG2      THR  76  -0.258  11.455   5.974
  611   2HG2  THR  76          2HG2      THR  76   0.928  10.309   6.600
  612   3HG2  THR  76          3HG2      THR  76   1.412  11.964   6.226
  613    H    SER  77           H        SER  77   2.376  12.538   7.531
  614    HA   SER  77           HA       SER  77   4.486  13.329   7.915
  615   1HB   SER  77          2HB       SER  77   3.372  14.768   5.994
  616   2HB   SER  77          1HB       SER  77   3.541  16.067   7.175
  617    HG   SER  77           HG       SER  77   5.692  15.906   7.072
  618    H    THR  78           H        THR  78   4.163  13.036  10.265
  619    HA   THR  78           HA       THR  78   4.596  15.580  11.640
  620    HB   THR  78           HB       THR  78   2.352  15.377  12.210
  621    HG1  THR  78           1HG      THR  78   3.907  15.287  14.074
  622   1HG2  THR  78          1HG2      THR  78   1.954  13.189  11.191
  623   2HG2  THR  78          2HG2      THR  78   1.242  13.274  12.801
  624   3HG2  THR  78          3HG2      THR  78   2.755  12.403  12.551
  625    HA   PRO  79           HA       PRO  79   7.774  12.668  13.071
  626   1HB   PRO  79          2HB       PRO  79   9.282  15.053  13.776
  627   2HB   PRO  79          1HB       PRO  79   9.655  13.822  12.568
  628   1HG   PRO  79          2HG       PRO  79   8.957  16.368  11.922
  629   2HG   PRO  79          1HG       PRO  79   8.612  14.973  10.882
  630   1HD   PRO  79          2HD       PRO  79   6.793  16.432  12.765
  631   2HD   PRO  79          1HD       PRO  79   6.461  15.814  11.132
  632    H    GLY  80           H        GLY  80   7.627  15.778  14.820
  633   1HA   GLY  80          2HA       GLY  80   6.485  15.847  17.002
  634   2HA   GLY  80          1HA       GLY  80   7.128  14.239  17.292
  635    H    SER  81           H        SER  81   8.173  14.835  19.194
  636    HA   SER  81           HA       SER  81  10.423  16.710  18.866
  637   1HB   SER  81          2HB       SER  81  10.191  16.427  21.566
  638   2HB   SER  81          1HB       SER  81   9.410  17.704  20.635
  639    HG   SER  81           HG       SER  81   8.151  15.211  20.996
  640    H    ARG  82           H        ARG  82   9.803  14.233  21.326
  641    HA   ARG  82           HA       ARG  82  12.419  13.053  20.673
  642   1HB   ARG  82          2HB       ARG  82  11.315  13.918  23.128
  643   2HB   ARG  82          1HB       ARG  82  11.393  12.163  23.202
  644   1HG   ARG  82          2HG       ARG  82  13.781  12.273  22.596
  645   2HG   ARG  82          1HG       ARG  82  13.680  14.035  22.627
  646   1HD   ARG  82          2HD       ARG  82  13.607  14.127  24.888
  647   2HD   ARG  82          1HD       ARG  82  12.689  12.628  25.024
  648    HE   ARG  82           HE       ARG  82  15.604  12.819  24.673
  649   1HH1  ARG  82          1HH1      ARG  82  12.753  11.028  25.572
  650   2HH1  ARG  82          2HH1      ARG  82  13.641   9.697  26.233
  651   1HH2  ARG  82          1HH2      ARG  82  16.781  11.072  25.540
  652   2HH2  ARG  82          2HH2      ARG  82  15.932   9.723  26.216
  653    H    SER  83           H        SER  83   9.234  12.094  21.969
  654    HA   SER  83           HA       SER  83   9.051   9.900  20.129
  655   1HB   SER  83          2HB       SER  83  10.584   9.004  21.903
  656   2HB   SER  83          1HB       SER  83   9.280   9.223  23.069
  657    HG   SER  83           HG       SER  83   8.280   7.531  22.281
  658    H    HIS  84           H        HIS  84   7.846  10.970  23.310
  659    HA   HIS  84           HA       HIS  84   5.120  10.882  22.208
  660   1HB   HIS  84          2HB       HIS  84   6.211   9.538  24.624
  661   2HB   HIS  84          1HB       HIS  84   4.613  10.261  24.773
  662    HD2  HIS  84           2HD      HIS  84   2.738   8.444  24.280
  663    HE1  HIS  84           1HE      HIS  84   4.866   6.193  21.396
  664    HE2  HIS  84           2HE      HIS  84   2.765   6.305  22.812
  665    H    HIS  85           H        HIS  85   4.132  11.613  24.941
  666    HA   HIS  85           HA       HIS  85   3.597  13.466  26.133
  667   1HB   HIS  85          2HB       HIS  85   6.377  14.313  25.301
  668   2HB   HIS  85          1HB       HIS  85   5.376  15.214  26.435
  669    HD2  HIS  85           2HD      HIS  85   4.342  12.658  28.227
  670    HE1  HIS  85           1HE      HIS  85   8.489  12.066  28.831
  671    HE2  HIS  85           2HE      HIS  85   6.159  11.379  29.563
  672    H    HIS  86           H        HIS  86   1.934  14.468  25.209
  673    HA   HIS  86           HA       HIS  86   2.515  16.547  23.223
  674   1HB   HIS  86          2HB       HIS  86   1.311  14.160  22.532
  675   2HB   HIS  86          1HB       HIS  86  -0.061  15.231  22.790
  676    HD2  HIS  86           2HD      HIS  86   2.541  14.422  20.154
  677    HE1  HIS  86           1HE      HIS  86   0.689  18.054  19.020
  678    HE2  HIS  86           2HE      HIS  86   2.080  16.091  18.222
  679    H    HIS  87           H        HIS  87   1.594  18.443  23.694
  680    HA   HIS  87           HA       HIS  87  -0.623  18.458  25.635
  681   1HB   HIS  87          2HB       HIS  87   1.957  19.818  25.695
  682   2HB   HIS  87          1HB       HIS  87   0.605  20.930  25.887
  683    HD2  HIS  87           2HD      HIS  87   1.194  21.316  28.576
  684    HE1  HIS  87           1HE      HIS  87   0.266  17.344  29.708
  685    HE2  HIS  87           2HE      HIS  87   0.622  19.714  30.536
  686    H    HIS  88           H        HIS  88  -2.410  18.970  24.553
  687    HA   HIS  88           HA       HIS  88  -2.678  21.505  23.293
  688   1HB   HIS  88          2HB       HIS  88  -1.557  19.851  21.559
  689   2HB   HIS  88          1HB       HIS  88  -3.214  19.290  21.360
  690    HD2  HIS  88           2HD      HIS  88  -4.952  21.062  20.114
  691    HE1  HIS  88           1HE      HIS  88  -1.947  23.876  19.135
  692    HE2  HIS  88           2HE      HIS  88  -4.399  23.283  18.893
  693    H    HIS  89           H        HIS  89  -4.387  21.720  24.731
  694    HA   HIS  89           HA       HIS  89  -6.806  20.244  23.969
  695   1HB   HIS  89          2HB       HIS  89  -7.201  20.686  26.658
  696   2HB   HIS  89          1HB       HIS  89  -6.734  19.151  25.933
  697    HD2  HIS  89           2HD      HIS  89  -4.932  18.169  27.657
  698    HE1  HIS  89           1HE      HIS  89  -2.594  21.675  28.047
  699    HE2  HIS  89           2HE      HIS  89  -2.889  19.275  28.810
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1 -13.743 -12.717  12.699
    2   2H    MET   1          2HT       MET   1 -12.072 -12.665  12.950
    3   3H    MET   1          3HT       MET   1 -13.122 -12.773  14.272
    4    HA   MET   1           HA       MET   1 -11.873 -14.862  13.192
    5   1HB   MET   1          2HB       MET   1 -13.755 -14.336  15.165
    6   2HB   MET   1          1HB       MET   1 -14.524 -15.573  14.181
    7   1HG   MET   1          2HG       MET   1 -13.290 -16.555  16.024
    8   2HG   MET   1          1HG       MET   1 -12.597 -17.026  14.473
    9   1HE   MET   1          1HE       MET   1 -10.135 -17.416  14.534
   10   2HE   MET   1          2HE       MET   1  -9.048 -16.031  14.641
   11   3HE   MET   1          3HE       MET   1 -10.375 -16.023  13.480
   12    H    ARG   2           H        ARG   2 -12.427 -13.929  10.812
   13    HA   ARG   2           HA       ARG   2 -14.786 -15.175   9.681
   14   1HB   ARG   2          2HB       ARG   2 -12.634 -13.366   8.663
   15   2HB   ARG   2          1HB       ARG   2 -13.583 -14.291   7.507
   16   1HG   ARG   2          2HG       ARG   2 -15.448 -13.160   9.246
   17   2HG   ARG   2          1HG       ARG   2 -14.264 -11.889   8.929
   18   1HD   ARG   2          2HD       ARG   2 -14.681 -11.890   6.649
   19   2HD   ARG   2          1HD       ARG   2 -15.361 -13.517   6.674
   20    HE   ARG   2           HE       ARG   2 -16.771 -11.231   7.884
   21   1HH1  ARG   2          1HH1      ARG   2 -16.682 -13.990   5.757
   22   2HH1  ARG   2          2HH1      ARG   2 -18.373 -13.921   5.389
   23   1HH2  ARG   2          1HH2      ARG   2 -18.999 -11.133   7.402
   24   2HH2  ARG   2          2HH2      ARG   2 -19.689 -12.299   6.322
   25    H    GLY   3           H        GLY   3 -13.753 -15.899   7.159
   26   1HA   GLY   3          2HA       GLY   3 -12.108 -17.419   6.225
   27   2HA   GLY   3          1HA       GLY   3 -11.965 -18.151   7.817
   28    H    SER   4           H        SER   4 -15.016 -17.899   7.988
   29    HA   SER   4           HA       SER   4 -15.595 -20.551   7.182
   30   1HB   SER   4          2HB       SER   4 -17.788 -18.581   7.679
   31   2HB   SER   4          1HB       SER   4 -17.646 -20.258   8.207
   32    HG   SER   4           HG       SER   4 -15.827 -18.362   9.184
   33    H    ASN   5           H        ASN   5 -15.835 -21.201   5.161
   34    HA   ASN   5           HA       ASN   5 -16.464 -21.326   2.984
   35   1HB   ASN   5          2HB       ASN   5 -18.566 -19.514   4.117
   36   2HB   ASN   5          1HB       ASN   5 -18.511 -19.807   2.382
   37   1HD2  ASN   5          1HD2      ASN   5 -18.274 -22.212   1.832
   38   2HD2  ASN   5          2HD2      ASN   5 -19.317 -23.282   2.702
   39    H    ALA   6           H        ALA   6 -16.723 -20.007   0.925
   40    HA   ALA   6           HA       ALA   6 -15.766 -18.576  -0.564
   41   1HB   ALA   6          1HB       ALA   6 -17.248 -16.953   0.350
   42   2HB   ALA   6          2HB       ALA   6 -15.680 -16.173   0.144
   43   3HB   ALA   6          3HB       ALA   6 -16.203 -16.693   1.746
   44    HA   PRO   7           HA       PRO   7 -11.544 -19.363   1.235
   45   1HB   PRO   7          2HB       PRO   7 -11.088 -19.926  -1.645
   46   2HB   PRO   7          1HB       PRO   7 -10.602 -20.858  -0.225
   47   1HG   PRO   7          2HG       PRO   7 -12.606 -21.681  -1.782
   48   2HG   PRO   7          1HG       PRO   7 -12.674 -21.877  -0.020
   49   1HD   PRO   7          2HD       PRO   7 -14.043 -19.867  -1.761
   50   2HD   PRO   7          1HD       PRO   7 -14.649 -20.714  -0.323
   51    H    GLN   8           H        GLN   8 -10.403 -17.570   1.570
   52    HA   GLN   8           HA       GLN   8 -10.128 -15.632  -0.632
   53   1HB   GLN   8          2HB       GLN   8  -9.775 -13.921   1.082
   54   2HB   GLN   8          1HB       GLN   8 -11.318 -14.734   1.309
   55   1HG   GLN   8          2HG       GLN   8 -10.770 -15.301   3.372
   56   2HG   GLN   8          1HG       GLN   8  -9.295 -16.087   2.810
   57   1HE2  GLN   8          1HE2      GLN   8  -7.602 -15.376   3.873
   58   2HE2  GLN   8          2HE2      GLN   8  -7.310 -13.744   4.362
   59    HA   PRO   9           HA       PRO   9  -5.775 -16.463  -0.491
   60   1HB   PRO   9          2HB       PRO   9  -4.880 -14.470  -2.038
   61   2HB   PRO   9          1HB       PRO   9  -5.868 -15.777  -2.702
   62   1HG   PRO   9          2HG       PRO   9  -6.659 -12.994  -1.955
   63   2HG   PRO   9          1HG       PRO   9  -7.158 -13.964  -3.351
   64   1HD   PRO   9          2HD       PRO   9  -8.651 -13.629  -1.047
   65   2HD   PRO   9          1HD       PRO   9  -8.835 -14.979  -2.183
   66    H    SER  10           H        SER  10  -4.017 -15.919   0.718
   67    HA   SER  10           HA       SER  10  -4.257 -13.511   2.376
   68   1HB   SER  10          2HB       SER  10  -3.623 -14.840   4.062
   69   2HB   SER  10          1HB       SER  10  -3.511 -16.199   2.944
   70    HG   SER  10           HG       SER  10  -1.546 -15.448   4.200
   71    H    HIS  11           H        HIS  11  -2.783 -14.452  -0.401
   72    HA   HIS  11           HA       HIS  11  -1.018 -13.720  -1.629
   73   1HB   HIS  11          2HB       HIS  11  -1.097 -11.312   0.209
   74   2HB   HIS  11          1HB       HIS  11  -0.456 -11.373  -1.432
   75    HD2  HIS  11           2HD      HIS  11  -2.388 -11.510  -3.475
   76    HE1  HIS  11           1HE      HIS  11  -5.585 -10.458  -0.907
   77    HE2  HIS  11           2HE      HIS  11  -4.859 -10.729  -3.322
   78    H    ILE  12           H        ILE  12   0.965 -11.764  -0.188
   79    HA   ILE  12           HA       ILE  12   2.957 -13.693   0.356
   80    HB   ILE  12           HB       ILE  12   3.416 -11.381  -0.425
   81   1HG1  ILE  12          2HG1      ILE  12   4.940 -11.218   2.027
   82   2HG1  ILE  12          1HG1      ILE  12   4.855 -12.889   1.467
   83   1HG2  ILE  12          1HG2      ILE  12   2.115 -10.751   2.149
   84   2HG2  ILE  12          2HG2      ILE  12   2.125  -9.856   0.629
   85   3HG2  ILE  12          3HG2      ILE  12   3.511  -9.764   1.715
   86   1HD1  ILE  12          1HD1      ILE  12   5.409 -11.334  -0.800
   87   2HD1  ILE  12          2HD1      ILE  12   6.489 -12.439   0.050
   88   3HD1  ILE  12          3HD1      ILE  12   6.452 -10.733   0.489
   89    H    SER  13           H        SER  13   4.062 -14.052   2.399
   90    HA   SER  13           HA       SER  13   2.406 -14.702   4.535
   91   1HB   SER  13          2HB       SER  13   5.306 -14.515   4.086
   92   2HB   SER  13          1HB       SER  13   4.830 -14.242   5.762
   93    HG   SER  13           HG       SER  13   5.172 -16.533   4.732
   94    H    LYS  14           H        LYS  14   4.282 -11.804   3.862
   95    HA   LYS  14           HA       LYS  14   2.489 -10.162   5.374
   96   1HB   LYS  14          2HB       LYS  14   4.227  -9.253   6.905
   97   2HB   LYS  14          1HB       LYS  14   3.827 -10.932   7.239
   98   1HG   LYS  14          2HG       LYS  14   5.854 -11.486   5.754
   99   2HG   LYS  14          1HG       LYS  14   6.305  -9.799   6.008
  100   1HD   LYS  14          2HD       LYS  14   5.936 -10.348   8.519
  101   2HD   LYS  14          1HD       LYS  14   6.098 -12.026   7.996
  102   1HE   LYS  14          2HE       LYS  14   8.306 -11.777   7.425
  103   2HE   LYS  14          1HE       LYS  14   8.140 -10.052   7.105
  104   1HZ   LYS  14          1HZ       LYS  14   9.384 -10.845   9.208
  105   2HZ   LYS  14          2HZ       LYS  14   7.836 -11.066   9.851
  106   3HZ   LYS  14          3HZ       LYS  14   8.322  -9.533   9.325
  107    H    TYR  15           H        TYR  15   2.639  -8.002   4.733
  108    HA   TYR  15           HA       TYR  15   4.789  -7.420   2.806
  109   1HB   TYR  15          2HB       TYR  15   2.962  -7.533   1.368
  110   2HB   TYR  15          1HB       TYR  15   1.831  -6.961   2.592
  111    HD1  TYR  15           1HD      TYR  15   4.505  -5.958   0.307
  112    HD2  TYR  15           2HD      TYR  15   1.325  -4.688   2.805
  113    HE1  TYR  15           1HE      TYR  15   4.739  -3.696  -0.579
  114    HE2  TYR  15           2HE      TYR  15   1.535  -2.407   1.933
  115    HH   TYR  15           HH       TYR  15   2.421  -1.263  -0.031
  116    H    ILE  16           H        ILE  16   5.486  -5.189   2.678
  117    HA   ILE  16           HA       ILE  16   4.810  -3.610   5.079
  118    HB   ILE  16           HB       ILE  16   7.483  -3.922   3.712
  119   1HG1  ILE  16          2HG1      ILE  16   8.069  -4.275   6.245
  120   2HG1  ILE  16          1HG1      ILE  16   6.343  -4.590   6.407
  121   1HG2  ILE  16          1HG2      ILE  16   6.830  -1.950   5.903
  122   2HG2  ILE  16          2HG2      ILE  16   6.955  -1.518   4.197
  123   3HG2  ILE  16          3HG2      ILE  16   8.363  -2.144   5.054
  124   1HD1  ILE  16          1HD1      ILE  16   6.713  -6.678   5.797
  125   2HD1  ILE  16          2HD1      ILE  16   8.415  -6.322   5.501
  126   3HD1  ILE  16          3HD1      ILE  16   7.231  -6.102   4.213
  127    H    LEU  17           H        LEU  17   3.869  -1.738   4.646
  128    HA   LEU  17           HA       LEU  17   4.163  -0.603   1.952
  129   1HB   LEU  17          2HB       LEU  17   1.887  -1.090   2.556
  130   2HB   LEU  17          1HB       LEU  17   2.052  -0.231   4.075
  131    HG   LEU  17           HG       LEU  17   2.546   1.826   2.512
  132   1HD1  LEU  17          1HD1      LEU  17   0.731   1.277   0.549
  133   2HD1  LEU  17          2HD1      LEU  17   1.620  -0.243   0.658
  134   3HD1  LEU  17          3HD1      LEU  17   2.483   1.265   0.345
  135   1HD2  LEU  17          1HD2      LEU  17  -0.287   1.333   2.291
  136   2HD2  LEU  17          2HD2      LEU  17   0.577   2.497   3.296
  137   3HD2  LEU  17          3HD2      LEU  17   0.321   0.851   3.875
  138    H    ARG  18           H        ARG  18   5.603   0.972   1.804
  139    HA   ARG  18           HA       ARG  18   5.895   2.803   4.087
  140   1HB   ARG  18          2HB       ARG  18   8.190   3.185   2.691
  141   2HB   ARG  18          1HB       ARG  18   8.028   2.081   4.049
  142   1HG   ARG  18          2HG       ARG  18   7.217   0.565   1.897
  143   2HG   ARG  18          1HG       ARG  18   8.545   1.530   1.250
  144   1HD   ARG  18          2HD       ARG  18   8.554  -0.541   3.381
  145   2HD   ARG  18          1HD       ARG  18   9.715  -0.247   2.087
  146    HE   ARG  18           HE       ARG  18  10.094   1.903   3.613
  147   1HH1  ARG  18          1HH1      ARG  18   9.807  -1.463   4.464
  148   2HH1  ARG  18          2HH1      ARG  18  10.824  -1.329   5.860
  149   1HH2  ARG  18          1HH2      ARG  18  11.432   2.089   5.449
  150   2HH2  ARG  18          2HH2      ARG  18  11.746   0.690   6.420
  151    H    TRP  19           H        TRP  19   5.493   4.887   3.762
  152    HA   TRP  19           HA       TRP  19   5.571   5.949   1.044
  153   1HB   TRP  19          2HB       TRP  19   3.387   6.975   1.228
  154   2HB   TRP  19          1HB       TRP  19   3.234   5.240   1.475
  155    HD1  TRP  19           HD       TRP  19   2.666   8.559   3.181
  156    HE1  TRP  19           1HE      TRP  19   1.521   8.168   5.452
  157    HE3  TRP  19           3HE      TRP  19   3.119   3.474   3.458
  158    HZ2  TRP  19           2HZ      TRP  19   0.893   5.998   7.137
  159    HZ3  TRP  19           3HZ      TRP  19   2.219   2.318   5.435
  160    HH2  TRP  19           HH       TRP  19   1.130   3.555   7.236
  161    H    ARG  20           H        ARG  20   5.669   8.225   0.918
  162    HA   ARG  20           HA       ARG  20   5.971   9.837   3.272
  163   1HB   ARG  20          2HB       ARG  20   8.164   9.356   3.552
  164   2HB   ARG  20          1HB       ARG  20   8.315   8.658   1.948
  165   1HG   ARG  20          2HG       ARG  20   8.068  11.599   2.083
  166   2HG   ARG  20          1HG       ARG  20   9.562  10.897   2.706
  167   1HD   ARG  20          2HD       ARG  20   8.686   9.783   0.143
  168   2HD   ARG  20          1HD       ARG  20   9.073  11.501   0.087
  169    HE   ARG  20           HE       ARG  20  10.929   9.356   0.870
  170   1HH1  ARG  20          1HH1      ARG  20  10.310  12.617  -0.188
  171   2HH1  ARG  20          2HH1      ARG  20  11.978  12.973  -0.489
  172   1HH2  ARG  20          1HH2      ARG  20  13.126   9.816   0.477
  173   2HH2  ARG  20          2HH2      ARG  20  13.578  11.381  -0.111
  174    HA   PRO  21           HA       PRO  21   4.524  12.891   0.419
  175   1HB   PRO  21          2HB       PRO  21   6.279  14.813   1.853
  176   2HB   PRO  21          1HB       PRO  21   4.538  14.881   1.561
  177   1HG   PRO  21          2HG       PRO  21   5.476  14.290   3.979
  178   2HG   PRO  21          1HG       PRO  21   4.052  13.456   3.329
  179   1HD   PRO  21          2HD       PRO  21   6.884  12.505   3.534
  180   2HD   PRO  21          1HD       PRO  21   5.372  11.624   3.832
  181    H    LYS  22           H        LYS  22   5.285  12.793  -1.601
  182    HA   LYS  22           HA       LYS  22   8.018  12.720  -2.292
  183   1HB   LYS  22          2HB       LYS  22   5.847  11.975  -3.593
  184   2HB   LYS  22          1HB       LYS  22   5.959  13.593  -4.271
  185   1HG   LYS  22          2HG       LYS  22   8.533  12.610  -4.494
  186   2HG   LYS  22          1HG       LYS  22   7.509  11.221  -4.863
  187   1HD   LYS  22          2HD       LYS  22   7.922  12.346  -6.918
  188   2HD   LYS  22          1HD       LYS  22   6.254  12.702  -6.463
  189   1HE   LYS  22          2HE       LYS  22   6.976  14.862  -5.550
  190   2HE   LYS  22          1HE       LYS  22   8.635  14.505  -6.031
  191   1HZ   LYS  22          1HZ       LYS  22   6.407  15.409  -7.627
  192   2HZ   LYS  22          2HZ       LYS  22   7.293  14.153  -8.331
  193   3HZ   LYS  22          3HZ       LYS  22   8.069  15.588  -7.888
  194    H    ASN  23           H        ASN  23   5.685  15.354  -2.131
  195    HA   ASN  23           HA       ASN  23   7.610  17.234  -3.248
  196   1HB   ASN  23          2HB       ASN  23   4.830  17.093  -3.268
  197   2HB   ASN  23          1HB       ASN  23   5.186  18.418  -2.166
  198   1HD2  ASN  23          1HD2      ASN  23   5.717  17.189  -5.410
  199   2HD2  ASN  23          2HD2      ASN  23   6.032  18.723  -6.140
  200    H    SER  24           H        SER  24   5.902  16.655  -0.196
  201    HA   SER  24           HA       SER  24   7.227  18.835   1.134
  202   1HB   SER  24          2HB       SER  24   4.880  17.669   1.607
  203   2HB   SER  24          1HB       SER  24   5.868  16.673   2.678
  204    HG   SER  24           HG       SER  24   5.682  19.507   2.713
  205    H    VAL  25           H        VAL  25   8.331  15.966   0.107
  206    HA   VAL  25           HA       VAL  25   9.810  14.359   0.892
  207    HB   VAL  25           HB       VAL  25  12.052  15.482   1.350
  208   1HG1  VAL  25          1HG1      VAL  25  10.767  16.417  -1.195
  209   2HG1  VAL  25          2HG1      VAL  25  11.071  14.708  -0.883
  210   3HG1  VAL  25          3HG1      VAL  25  12.416  15.848  -0.930
  211   1HG2  VAL  25          1HG2      VAL  25  11.962  17.624   1.971
  212   2HG2  VAL  25          2HG2      VAL  25  10.291  17.793   1.433
  213   3HG2  VAL  25          3HG2      VAL  25  11.612  17.988   0.282
  214    H    GLY  26           H        GLY  26   8.297  14.087   2.865
  215   1HA   GLY  26          2HA       GLY  26   9.599  14.922   5.355
  216   2HA   GLY  26          1HA       GLY  26   7.993  14.222   5.214
  217    H    ARG  27           H        ARG  27   8.481  12.729   6.875
  218    HA   ARG  27           HA       ARG  27  10.617  10.811   6.426
  219   1HB   ARG  27          2HB       ARG  27   8.574  10.668   8.629
  220   2HB   ARG  27          1HB       ARG  27  10.211  10.027   8.611
  221   1HG   ARG  27          2HG       ARG  27  10.846  11.843   9.705
  222   2HG   ARG  27          1HG       ARG  27  10.510  12.771   8.242
  223   1HD   ARG  27          2HD       ARG  27   9.393  13.606  10.336
  224   2HD   ARG  27          1HD       ARG  27   8.317  13.296   8.974
  225    HE   ARG  27           HE       ARG  27   7.657  11.236  10.087
  226   1HH1  ARG  27          1HH1      ARG  27   9.362  13.600  11.999
  227   2HH1  ARG  27          2HH1      ARG  27   8.755  13.006  13.508
  228   1HH2  ARG  27          1HH2      ARG  27   6.853  10.449  12.068
  229   2HH2  ARG  27          2HH2      ARG  27   7.328  11.214  13.548
  230    H    TRP  28           H        TRP  28  10.122   8.458   6.675
  231    HA   TRP  28           HA       TRP  28   7.882   7.776   4.937
  232   1HB   TRP  28          2HB       TRP  28  10.285   6.227   5.900
  233   2HB   TRP  28          1HB       TRP  28   8.981   5.481   4.984
  234    HD1  TRP  28           HD       TRP  28  11.757   8.124   4.592
  235    HE1  TRP  28           1HE      TRP  28  12.291   8.365   2.087
  236    HE3  TRP  28           3HE      TRP  28   8.083   5.124   2.686
  237    HZ2  TRP  28           2HZ      TRP  28  11.289   7.410  -0.373
  238    HZ3  TRP  28           3HZ      TRP  28   7.940   4.839   0.245
  239    HH2  TRP  28           HH       TRP  28   9.510   5.960  -1.251
  240    H    LYS  29           H        LYS  29   6.842   5.565   5.457
  241    HA   LYS  29           HA       LYS  29   6.498   5.027   8.286
  242   1HB   LYS  29          2HB       LYS  29   4.624   6.661   6.812
  243   2HB   LYS  29          1HB       LYS  29   3.850   5.175   7.345
  244   1HG   LYS  29          2HG       LYS  29   5.302   6.085   9.551
  245   2HG   LYS  29          1HG       LYS  29   4.542   7.519   8.853
  246   1HD   LYS  29          2HD       LYS  29   2.377   6.561   9.031
  247   2HD   LYS  29          1HD       LYS  29   3.039   4.970   9.409
  248   1HE   LYS  29          2HE       LYS  29   3.383   5.484  11.583
  249   2HE   LYS  29          1HE       LYS  29   3.831   7.152  11.226
  250   1HZ   LYS  29          1HZ       LYS  29   1.465   6.313  12.295
  251   2HZ   LYS  29          2HZ       LYS  29   1.074   6.628  10.680
  252   3HZ   LYS  29          3HZ       LYS  29   1.770   7.839  11.633
  253    H    GLU  30           H        GLU  30   6.408   2.868   8.497
  254    HA   GLU  30           HA       GLU  30   5.441   1.327   6.182
  255   1HB   GLU  30          2HB       GLU  30   7.116  -0.305   7.784
  256   2HB   GLU  30          1HB       GLU  30   7.385   0.253   6.140
  257   1HG   GLU  30          2HG       GLU  30   9.218   1.189   7.015
  258   2HG   GLU  30          1HG       GLU  30   8.104   2.454   7.530
  259    H    ALA  31           H        ALA  31   3.860  -0.072   6.460
  260    HA   ALA  31           HA       ALA  31   3.211  -0.971   9.189
  261   1HB   ALA  31          1HB       ALA  31   1.680   0.840   7.870
  262   2HB   ALA  31          2HB       ALA  31   1.063  -0.294   9.073
  263   3HB   ALA  31          3HB       ALA  31   0.930  -0.671   7.356
  264    H    THR  32           H        THR  32   2.738  -3.135   9.361
  265    HA   THR  32           HA       THR  32   3.259  -4.725   7.002
  266    HB   THR  32           HB       THR  32   2.702  -5.635   9.827
  267    HG1  THR  32           1HG      THR  32   5.058  -5.160   8.328
  268   1HG2  THR  32          1HG2      THR  32   2.102  -7.248   7.934
  269   2HG2  THR  32          2HG2      THR  32   3.247  -7.838   9.139
  270   3HG2  THR  32          3HG2      THR  32   3.829  -7.290   7.568
  271    H    ILE  33           H        ILE  33   1.777  -5.267   5.672
  272    HA   ILE  33           HA       ILE  33  -0.884  -6.032   6.649
  273    HB   ILE  33           HB       ILE  33  -0.604  -4.822   3.933
  274   1HG1  ILE  33          2HG1      ILE  33  -1.432  -2.852   5.901
  275   2HG1  ILE  33          1HG1      ILE  33   0.215  -3.398   6.193
  276   1HG2  ILE  33          1HG2      ILE  33  -2.682  -5.950   4.893
  277   2HG2  ILE  33          2HG2      ILE  33  -2.893  -4.363   4.152
  278   3HG2  ILE  33          3HG2      ILE  33  -2.845  -4.517   5.908
  279   1HD1  ILE  33          1HD1      ILE  33  -0.200  -2.873   3.397
  280   2HD1  ILE  33          2HD1      ILE  33   0.979  -2.181   4.513
  281   3HD1  ILE  33          3HD1      ILE  33  -0.631  -1.471   4.378
  282    HA   PRO  34           HA       PRO  34   0.724  -9.747   4.626
  283   1HB   PRO  34          2HB       PRO  34  -2.098 -10.560   5.104
  284   2HB   PRO  34          1HB       PRO  34  -0.608 -11.432   5.462
  285   1HG   PRO  34          2HG       PRO  34  -1.979 -10.269   7.413
  286   2HG   PRO  34          1HG       PRO  34  -0.205 -10.193   7.393
  287   1HD   PRO  34          2HD       PRO  34  -2.204  -8.091   6.659
  288   2HD   PRO  34          1HD       PRO  34  -0.653  -7.927   7.510
  289    H    GLY  35           H        GLY  35   0.784  -8.384   2.668
  290   1HA   GLY  35          2HA       GLY  35   0.180  -7.811   0.530
  291   2HA   GLY  35          1HA       GLY  35  -0.373  -9.480   0.459
  292    H    HIS  36           H        HIS  36  -1.719  -6.885   2.447
  293    HA   HIS  36           HA       HIS  36  -3.796  -5.966   2.559
  294   1HB   HIS  36          2HB       HIS  36  -2.980  -5.730  -0.095
  295   2HB   HIS  36          1HB       HIS  36  -4.614  -6.373  -0.203
  296    HD2  HIS  36           2HD      HIS  36  -6.289  -4.730   1.836
  297    HE1  HIS  36           1HE      HIS  36  -4.362  -1.289   0.302
  298    HE2  HIS  36           2HE      HIS  36  -6.256  -2.138   1.758
  299    H    LEU  37           H        LEU  37  -4.891  -7.410   3.798
  300    HA   LEU  37           HA       LEU  37  -5.861  -9.904   2.831
  301   1HB   LEU  37          2HB       LEU  37  -7.241  -9.794   4.996
  302   2HB   LEU  37          1HB       LEU  37  -5.495  -9.885   5.118
  303    HG   LEU  37           HG       LEU  37  -6.637  -7.159   5.110
  304   1HD1  LEU  37          1HD1      LEU  37  -7.776  -9.124   6.784
  305   2HD1  LEU  37          2HD1      LEU  37  -8.012  -7.376   6.833
  306   3HD1  LEU  37          3HD1      LEU  37  -6.730  -8.120   7.789
  307   1HD2  LEU  37          1HD2      LEU  37  -4.379  -8.653   6.341
  308   2HD2  LEU  37          2HD2      LEU  37  -4.967  -7.199   7.149
  309   3HD2  LEU  37          3HD2      LEU  37  -4.384  -7.111   5.487
  310    H    ASN  38           H        ASN  38  -7.230  -6.685   3.090
  311    HA   ASN  38           HA       ASN  38  -9.335  -7.369   1.275
  312   1HB   ASN  38          2HB       ASN  38  -9.872  -7.261   4.183
  313   2HB   ASN  38          1HB       ASN  38 -11.012  -6.390   3.161
  314   1HD2  ASN  38          1HD2      ASN  38 -10.745  -9.123   4.723
  315   2HD2  ASN  38          2HD2      ASN  38 -11.550 -10.217   3.654
  316    H    SER  39           H        SER  39  -9.728  -4.967   3.801
  317    HA   SER  39           HA       SER  39  -9.075  -2.864   1.845
  318   1HB   SER  39          2HB       SER  39 -10.876  -1.575   3.333
  319   2HB   SER  39          1HB       SER  39 -11.348  -2.552   1.942
  320    HG   SER  39           HG       SER  39 -12.607  -3.117   3.719
  321    H    TYR  40           H        TYR  40  -7.521  -1.531   2.482
  322    HA   TYR  40           HA       TYR  40  -7.091  -1.145   5.369
  323   1HB   TYR  40          2HB       TYR  40  -5.389  -2.670   4.280
  324   2HB   TYR  40          1HB       TYR  40  -4.869  -1.283   3.329
  325    HD1  TYR  40           1HD      TYR  40  -3.332   0.255   4.203
  326    HD2  TYR  40           2HD      TYR  40  -5.241  -2.504   6.819
  327    HE1  TYR  40           1HE      TYR  40  -1.828   0.946   6.021
  328    HE2  TYR  40           2HE      TYR  40  -3.741  -1.821   8.644
  329    HH   TYR  40           HH       TYR  40  -1.031  -0.507   8.402
  330    H    THR  41           H        THR  41  -7.341   0.905   5.923
  331    HA   THR  41           HA       THR  41  -7.054   2.986   3.880
  332    HB   THR  41           HB       THR  41  -9.170   2.901   5.185
  333    HG1  THR  41           1HG      THR  41  -8.422   4.900   4.325
  334   1HG2  THR  41          1HG2      THR  41  -8.663   4.086   7.572
  335   2HG2  THR  41          2HG2      THR  41  -7.261   3.026   7.426
  336   3HG2  THR  41          3HG2      THR  41  -8.889   2.350   7.358
  337    H    ILE  42           H        ILE  42  -5.754   4.809   4.187
  338    HA   ILE  42           HA       ILE  42  -3.653   4.457   6.219
  339    HB   ILE  42           HB       ILE  42  -3.519   6.081   3.675
  340   1HG1  ILE  42          2HG1      ILE  42  -1.942   3.582   4.093
  341   2HG1  ILE  42          1HG1      ILE  42  -3.640   3.426   3.655
  342   1HG2  ILE  42          1HG2      ILE  42  -0.968   5.370   4.649
  343   2HG2  ILE  42          2HG2      ILE  42  -1.884   6.011   6.012
  344   3HG2  ILE  42          3HG2      ILE  42  -1.688   6.977   4.549
  345   1HD1  ILE  42          1HD1      ILE  42  -1.417   4.683   2.092
  346   2HD1  ILE  42          2HD1      ILE  42  -3.113   4.983   1.717
  347   3HD1  ILE  42          3HD1      ILE  42  -2.469   3.344   1.637
  348    H    LYS  43           H        LYS  43  -3.852   5.710   7.916
  349    HA   LYS  43           HA       LYS  43  -4.832   7.360   9.245
  350   1HB   LYS  43          2HB       LYS  43  -2.965   8.989   7.527
  351   2HB   LYS  43          1HB       LYS  43  -3.363   9.242   9.221
  352   1HG   LYS  43          2HG       LYS  43  -1.814   6.920   8.089
  353   2HG   LYS  43          1HG       LYS  43  -1.149   8.284   8.986
  354   1HD   LYS  43          2HD       LYS  43  -1.396   7.006  10.806
  355   2HD   LYS  43          1HD       LYS  43  -3.122   7.344  10.661
  356   1HE   LYS  43          2HE       LYS  43  -3.591   5.287   9.774
  357   2HE   LYS  43          1HE       LYS  43  -1.990   5.112   9.055
  358   1HZ   LYS  43          1HZ       LYS  43  -1.545   5.160  11.759
  359   2HZ   LYS  43          2HZ       LYS  43  -1.526   3.792  10.763
  360   3HZ   LYS  43          3HZ       LYS  43  -2.940   4.215  11.589
  361    H    GLY  44           H        GLY  44  -4.409  10.186   7.698
  362   1HA   GLY  44          2HA       GLY  44  -6.889  10.209   6.182
  363   2HA   GLY  44          1HA       GLY  44  -6.904  11.140   7.673
  364    H    LEU  45           H        LEU  45  -5.294  10.787   4.548
  365    HA   LEU  45           HA       LEU  45  -3.772  13.169   4.718
  366   1HB   LEU  45          2HB       LEU  45  -4.724  11.750   2.229
  367   2HB   LEU  45          1HB       LEU  45  -3.378  12.865   2.350
  368    HG   LEU  45           HG       LEU  45  -2.390  10.756   2.225
  369   1HD1  LEU  45          1HD1      LEU  45  -1.182  10.521   4.217
  370   2HD1  LEU  45          2HD1      LEU  45  -2.515  11.142   5.194
  371   3HD1  LEU  45          3HD1      LEU  45  -1.618  12.228   4.130
  372   1HD2  LEU  45          1HD2      LEU  45  -3.896   9.542   4.468
  373   2HD2  LEU  45          2HD2      LEU  45  -3.174   8.792   3.043
  374   3HD2  LEU  45          3HD2      LEU  45  -4.695   9.673   2.901
  375    H    LYS  46           H        LYS  46  -4.442  14.273   2.125
  376    HA   LYS  46           HA       LYS  46  -7.159  15.222   2.291
  377   1HB   LYS  46          2HB       LYS  46  -6.645  16.951   3.642
  378   2HB   LYS  46          1HB       LYS  46  -4.920  16.772   3.370
  379   1HG   LYS  46          2HG       LYS  46  -6.439  17.888   1.112
  380   2HG   LYS  46          1HG       LYS  46  -6.378  18.890   2.564
  381   1HD   LYS  46          2HD       LYS  46  -3.925  18.700   2.568
  382   2HD   LYS  46          1HD       LYS  46  -4.009  17.738   1.091
  383   1HE   LYS  46          2HE       LYS  46  -4.237  19.549  -0.190
  384   2HE   LYS  46          1HE       LYS  46  -5.469  20.237   0.867
  385   1HZ   LYS  46          1HZ       LYS  46  -3.951  21.713   1.479
  386   2HZ   LYS  46          2HZ       LYS  46  -2.717  20.902   0.654
  387   3HZ   LYS  46          3HZ       LYS  46  -3.097  20.469   2.244
  388    HA   PRO  47           HA       PRO  47  -6.645  15.285  -2.096
  389   1HB   PRO  47          2HB       PRO  47  -8.557  17.558  -2.042
  390   2HB   PRO  47          1HB       PRO  47  -8.654  16.025  -2.917
  391   1HG   PRO  47          2HG       PRO  47 -10.167  16.463  -0.770
  392   2HG   PRO  47          1HG       PRO  47  -9.446  14.870  -1.069
  393   1HD   PRO  47          2HD       PRO  47  -8.599  17.005   0.847
  394   2HD   PRO  47          1HD       PRO  47  -8.621  15.241   1.060
  395    H    GLY  48           H        GLY  48  -4.670  16.077  -2.655
  396   1HA   GLY  48          2HA       GLY  48  -3.990  18.144  -4.005
  397   2HA   GLY  48          1HA       GLY  48  -4.269  18.994  -2.493
  398    H    VAL  49           H        VAL  49  -3.126  16.113  -1.528
  399    HA   VAL  49           HA       VAL  49  -0.370  17.128  -1.414
  400    HB   VAL  49           HB       VAL  49  -1.782  15.113   0.340
  401   1HG1  VAL  49          1HG1      VAL  49   0.962  15.292  -0.213
  402   2HG1  VAL  49          2HG1      VAL  49   0.181  14.381   1.079
  403   3HG1  VAL  49          3HG1      VAL  49   0.736  16.029   1.373
  404   1HG2  VAL  49          1HG2      VAL  49  -2.468  16.943   1.409
  405   2HG2  VAL  49          2HG2      VAL  49  -1.413  17.987   0.458
  406   3HG2  VAL  49          3HG2      VAL  49  -0.790  17.175   1.895
  407    H    VAL  50           H        VAL  50   1.010  16.240  -2.800
  408    HA   VAL  50           HA       VAL  50   0.438  13.682  -4.023
  409    HB   VAL  50           HB       VAL  50   1.319  15.340  -5.496
  410   1HG1  VAL  50          1HG1      VAL  50   3.946  15.826  -4.759
  411   2HG1  VAL  50          2HG1      VAL  50   3.038  15.955  -3.253
  412   3HG1  VAL  50          3HG1      VAL  50   2.591  16.948  -4.639
  413   1HG2  VAL  50          1HG2      VAL  50   2.425  12.836  -5.227
  414   2HG2  VAL  50          2HG2      VAL  50   3.835  13.887  -5.332
  415   3HG2  VAL  50          3HG2      VAL  50   2.621  13.912  -6.610
  416    H    TYR  51           H        TYR  51   0.990  11.840  -3.096
  417    HA   TYR  51           HA       TYR  51   3.268  11.809  -1.237
  418   1HB   TYR  51          2HB       TYR  51   0.634  10.537  -1.248
  419   2HB   TYR  51          1HB       TYR  51   1.940   9.417  -0.892
  420    HD1  TYR  51           1HD      TYR  51  -0.127  12.080   0.369
  421    HD2  TYR  51           2HD      TYR  51   3.466   9.905   1.050
  422    HE1  TYR  51           1HE      TYR  51  -0.110  12.851   2.704
  423    HE2  TYR  51           2HE      TYR  51   3.495  10.672   3.385
  424    HH   TYR  51           HH       TYR  51   2.031  11.535   5.060
  425    H    GLU  52           H        GLU  52   4.350   9.642  -1.084
  426    HA   GLU  52           HA       GLU  52   4.699   8.432  -3.747
  427   1HB   GLU  52          2HB       GLU  52   6.653   9.779  -3.337
  428   2HB   GLU  52          1HB       GLU  52   6.807   9.155  -1.700
  429   1HG   GLU  52          2HG       GLU  52   8.343   7.810  -2.605
  430   2HG   GLU  52          1HG       GLU  52   6.952   6.864  -3.132
  431    H    GLY  53           H        GLY  53   4.472   6.252  -3.770
  432   1HA   GLY  53          2HA       GLY  53   4.732   4.839  -1.202
  433   2HA   GLY  53          1HA       GLY  53   3.269   4.653  -2.152
  434    H    GLN  54           H        GLN  54   5.519   2.841  -1.254
  435    HA   GLN  54           HA       GLN  54   5.912   1.551  -3.862
  436   1HB   GLN  54          2HB       GLN  54   8.073   0.845  -2.133
  437   2HB   GLN  54          1HB       GLN  54   8.139   1.643  -3.698
  438   1HG   GLN  54          2HG       GLN  54   7.649   3.798  -2.428
  439   2HG   GLN  54          1HG       GLN  54   8.032   2.881  -0.971
  440   1HE2  GLN  54          1HE2      GLN  54  10.148   1.576  -1.231
  441   2HE2  GLN  54          2HE2      GLN  54  11.485   2.462  -1.874
  442    H    LEU  55           H        LEU  55   5.575  -0.640  -3.876
  443    HA   LEU  55           HA       LEU  55   4.537  -1.772  -1.383
  444   1HB   LEU  55          2HB       LEU  55   4.111  -2.303  -4.282
  445   2HB   LEU  55          1HB       LEU  55   3.963  -3.662  -3.193
  446    HG   LEU  55           HG       LEU  55   1.876  -2.213  -3.920
  447   1HD1  LEU  55          1HD1      LEU  55   2.447  -4.011  -1.822
  448   2HD1  LEU  55          2HD1      LEU  55   0.882  -3.630  -2.546
  449   3HD1  LEU  55          3HD1      LEU  55   1.449  -2.720  -1.142
  450   1HD2  LEU  55          1HD2      LEU  55   2.563  -0.814  -1.357
  451   2HD2  LEU  55          2HD2      LEU  55   1.306  -0.429  -2.531
  452   3HD2  LEU  55          3HD2      LEU  55   3.000  -0.140  -2.926
  453    H    ILE  56           H        ILE  56   6.154  -2.706  -0.210
  454    HA   ILE  56           HA       ILE  56   7.930  -4.558  -1.664
  455    HB   ILE  56           HB       ILE  56   8.574  -3.248   0.980
  456   1HG1  ILE  56          2HG1      ILE  56  10.367  -2.127  -0.609
  457   2HG1  ILE  56          1HG1      ILE  56   9.152  -2.429  -1.846
  458   1HG2  ILE  56          1HG2      ILE  56  10.924  -4.046  -0.028
  459   2HG2  ILE  56          2HG2      ILE  56   9.870  -5.246  -0.780
  460   3HG2  ILE  56          3HG2      ILE  56   9.911  -5.085   0.977
  461   1HD1  ILE  56          1HD1      ILE  56   7.677  -0.922  -0.954
  462   2HD1  ILE  56          2HD1      ILE  56   9.223  -0.158  -0.583
  463   3HD1  ILE  56          3HD1      ILE  56   8.357  -1.050   0.668
  464    H    SER  57           H        SER  57   7.291  -6.543  -1.349
  465    HA   SER  57           HA       SER  57   5.915  -7.249   1.131
  466   1HB   SER  57          2HB       SER  57   5.324  -7.636  -1.554
  467   2HB   SER  57          1HB       SER  57   5.838  -9.228  -0.983
  468    HG   SER  57           HG       SER  57   3.704  -9.127  -0.523
  469    H    ILE  58           H        ILE  58   6.690  -8.717   2.498
  470    HA   ILE  58           HA       ILE  58   9.151 -10.141   1.738
  471    HB   ILE  58           HB       ILE  58   8.299  -9.409   4.537
  472   1HG1  ILE  58          2HG1      ILE  58  10.156  -8.036   2.590
  473   2HG1  ILE  58          1HG1      ILE  58   8.756  -7.358   3.407
  474   1HG2  ILE  58          1HG2      ILE  58  11.091  -9.847   4.217
  475   2HG2  ILE  58          2HG2      ILE  58  10.223 -11.216   3.522
  476   3HG2  ILE  58          3HG2      ILE  58   9.938 -10.749   5.200
  477   1HD1  ILE  58          1HD1      ILE  58  11.257  -8.238   4.823
  478   2HD1  ILE  58          2HD1      ILE  58   9.898  -7.342   5.502
  479   3HD1  ILE  58          3HD1      ILE  58  10.938  -6.585   4.296
  480    H    GLN  59           H        GLN  59   9.120 -12.272   1.707
  481    HA   GLN  59           HA       GLN  59   6.783 -13.677   2.782
  482   1HB   GLN  59          2HB       GLN  59   8.503 -14.022   0.469
  483   2HB   GLN  59          1HB       GLN  59   8.403 -15.505   1.408
  484   1HG   GLN  59          2HG       GLN  59   5.799 -14.333   1.093
  485   2HG   GLN  59          1HG       GLN  59   6.578 -14.550  -0.471
  486   1HE2  GLN  59          1HE2      GLN  59   5.558 -16.272  -1.278
  487   2HE2  GLN  59          2HE2      GLN  59   5.467 -17.820  -0.517
  488    H    GLN  60           H        GLN  60   7.554 -16.107   3.396
  489    HA   GLN  60           HA       GLN  60   9.006 -15.811   5.811
  490   1HB   GLN  60          2HB       GLN  60   8.841 -18.264   5.978
  491   2HB   GLN  60          1HB       GLN  60   7.296 -17.530   5.574
  492   1HG   GLN  60          2HG       GLN  60   7.477 -18.216   3.302
  493   2HG   GLN  60          1HG       GLN  60   9.143 -18.743   3.537
  494   1HE2  GLN  60          1HE2      GLN  60   6.518 -20.084   2.755
  495   2HE2  GLN  60          2HE2      GLN  60   6.466 -21.491   3.756
  496    H    TYR  61           H        TYR  61   9.949 -16.251   2.586
  497    HA   TYR  61           HA       TYR  61  12.602 -17.262   3.335
  498   1HB   TYR  61          2HB       TYR  61  11.335 -18.438   1.530
  499   2HB   TYR  61          1HB       TYR  61  11.398 -16.962   0.576
  500    HD1  TYR  61           1HD      TYR  61  13.072 -16.769  -0.996
  501    HD2  TYR  61           2HD      TYR  61  13.720 -19.274   2.381
  502    HE1  TYR  61           1HE      TYR  61  15.236 -17.458  -1.931
  503    HE2  TYR  61           2HE      TYR  61  15.889 -19.969   1.455
  504    HH   TYR  61           HH       TYR  61  17.173 -19.978  -0.423
  505    H    GLY  62           H        GLY  62  11.035 -14.382   2.845
  506   1HA   GLY  62          2HA       GLY  62  12.566 -12.431   3.222
  507   2HA   GLY  62          1HA       GLY  62  13.501 -13.067   1.877
  508    H    HIS  63           H        HIS  63  12.739 -10.510   1.682
  509    HA   HIS  63           HA       HIS  63  10.209 -10.015   0.559
  510   1HB   HIS  63          2HB       HIS  63  11.431  -7.986  -0.470
  511   2HB   HIS  63          1HB       HIS  63  11.354  -8.106   1.284
  512    HD2  HIS  63           2HD      HIS  63  13.681  -6.546   1.440
  513    HE1  HIS  63           1HE      HIS  63  16.187  -9.590  -0.097
  514    HE2  HIS  63           2HE      HIS  63  16.116  -7.264   0.910
  515    H    GLN  64           H        GLN  64   9.428 -10.055  -1.510
  516    HA   GLN  64           HA       GLN  64  11.239 -10.722  -3.697
  517   1HB   GLN  64          2HB       GLN  64   8.788 -12.347  -3.725
  518   2HB   GLN  64          1HB       GLN  64  10.430 -12.776  -4.176
  519   1HG   GLN  64          2HG       GLN  64  10.100 -12.400  -1.310
  520   2HG   GLN  64          1HG       GLN  64   9.072 -13.672  -1.969
  521   1HE2  GLN  64          1HE2      GLN  64  10.356 -15.135  -0.708
  522   2HE2  GLN  64          2HE2      GLN  64  11.887 -15.675  -1.301
  523    H    GLU  65           H        GLU  65   9.037  -8.645  -2.682
  524    HA   GLU  65           HA       GLU  65   8.048  -8.184  -5.395
  525   1HB   GLU  65          2HB       GLU  65   6.424  -9.331  -3.489
  526   2HB   GLU  65          1HB       GLU  65   6.011  -7.626  -3.375
  527   1HG   GLU  65          2HG       GLU  65   4.741  -7.798  -5.170
  528   2HG   GLU  65          1HG       GLU  65   6.129  -8.322  -6.123
  529    H    VAL  66           H        VAL  66   8.680  -6.215  -5.936
  530    HA   VAL  66           HA       VAL  66   8.249  -4.044  -4.020
  531    HB   VAL  66           HB       VAL  66  10.508  -4.247  -3.662
  532   1HG1  VAL  66          1HG1      VAL  66  10.947  -4.834  -6.583
  533   2HG1  VAL  66          2HG1      VAL  66  10.825  -6.047  -5.306
  534   3HG1  VAL  66          3HG1      VAL  66  12.157  -4.889  -5.299
  535   1HG2  VAL  66          1HG2      VAL  66  11.552  -2.364  -4.611
  536   2HG2  VAL  66          2HG2      VAL  66   9.829  -1.987  -4.600
  537   3HG2  VAL  66          3HG2      VAL  66  10.613  -2.491  -6.098
  538    H    THR  67           H        THR  67   7.182  -2.387  -4.895
  539    HA   THR  67           HA       THR  67   7.433  -1.875  -7.776
  540    HB   THR  67           HB       THR  67   4.738  -1.750  -6.436
  541    HG1  THR  67           1HG      THR  67   5.708  -3.940  -6.444
  542   1HG2  THR  67          1HG2      THR  67   4.747  -0.530  -8.449
  543   2HG2  THR  67          2HG2      THR  67   4.055  -2.095  -8.878
  544   3HG2  THR  67          3HG2      THR  67   5.737  -1.734  -9.273
  545    H    ARG  68           H        ARG  68   7.671   0.234  -8.251
  546    HA   ARG  68           HA       ARG  68   7.244   2.167  -6.075
  547   1HB   ARG  68          2HB       ARG  68   9.011   2.426  -8.513
  548   2HB   ARG  68          1HB       ARG  68   8.890   3.582  -7.194
  549   1HG   ARG  68          2HG       ARG  68   9.680   1.731  -5.667
  550   2HG   ARG  68          1HG       ARG  68  10.049   0.812  -7.128
  551   1HD   ARG  68          2HD       ARG  68  12.075   1.818  -6.707
  552   2HD   ARG  68          1HD       ARG  68  11.339   2.978  -7.812
  553    HE   ARG  68           HE       ARG  68  10.594   3.949  -5.435
  554   1HH1  ARG  68          1HH1      ARG  68  13.690   2.857  -6.607
  555   2HH1  ARG  68          2HH1      ARG  68  14.594   3.938  -5.601
  556   1HH2  ARG  68          1HH2      ARG  68  11.779   5.371  -4.105
  557   2HH2  ARG  68          2HH2      ARG  68  13.510   5.365  -4.179
  558    H    PHE  69           H        PHE  69   5.686   3.634  -6.262
  559    HA   PHE  69           HA       PHE  69   4.941   4.729  -8.823
  560   1HB   PHE  69          2HB       PHE  69   2.552   4.139  -8.626
  561   2HB   PHE  69          1HB       PHE  69   3.577   2.727  -8.848
  562    HD1  PHE  69           1HD      PHE  69   3.970   1.175  -6.988
  563    HD2  PHE  69           2HD      PHE  69   1.304   4.473  -6.626
  564    HE1  PHE  69           1HE      PHE  69   2.971   0.144  -4.988
  565    HE2  PHE  69           2HE      PHE  69   0.302   3.450  -4.626
  566    HZ   PHE  69           HZ       PHE  69   1.135   1.284  -3.805
  567    H    ASP  70           H        ASP  70   4.260   6.761  -8.665
  568    HA   ASP  70           HA       ASP  70   3.957   7.876  -5.977
  569   1HB   ASP  70          2HB       ASP  70   3.979  10.083  -7.358
  570   2HB   ASP  70          1HB       ASP  70   5.483   9.185  -7.176
  571    H    PHE  71           H        PHE  71   2.082   8.888  -5.294
  572    HA   PHE  71           HA       PHE  71  -0.152   9.028  -7.177
  573   1HB   PHE  71          2HB       PHE  71  -1.623   7.790  -5.678
  574   2HB   PHE  71          1HB       PHE  71  -0.226   6.803  -6.121
  575    HD1  PHE  71           1HD      PHE  71  -1.959   8.519  -3.400
  576    HD2  PHE  71           2HD      PHE  71   1.520   6.318  -4.496
  577    HE1  PHE  71           1HE      PHE  71  -1.449   8.137  -1.018
  578    HE2  PHE  71           2HE      PHE  71   2.030   5.934  -2.119
  579    HZ   PHE  71           HZ       PHE  71   0.545   6.843  -0.380
  580    H    THR  72           H        THR  72  -1.671  10.574  -6.724
  581    HA   THR  72           HA       THR  72  -1.005  12.403  -4.519
  582    HB   THR  72           HB       THR  72  -2.466  14.037  -5.764
  583    HG1  THR  72           1HG      THR  72  -2.997  13.508  -7.908
  584   1HG2  THR  72          1HG2      THR  72  -0.765  14.691  -7.265
  585   2HG2  THR  72          2HG2      THR  72  -0.213  13.031  -7.488
  586   3HG2  THR  72          3HG2      THR  72   0.068  13.855  -5.955
  587    H    THR  73           H        THR  73  -2.416  12.801  -2.915
  588    HA   THR  73           HA       THR  73  -4.223  12.625  -1.552
  589    HB   THR  73           HB       THR  73  -5.794  12.163  -4.095
  590    HG1  THR  73           1HG      THR  73  -4.808  14.462  -2.820
  591   1HG2  THR  73          1HG2      THR  73  -7.451  11.733  -2.644
  592   2HG2  THR  73          2HG2      THR  73  -7.410  13.461  -2.290
  593   3HG2  THR  73          3HG2      THR  73  -6.520  12.329  -1.270
  594    H    THR  74           H        THR  74  -5.292  11.069  -0.375
  595    HA   THR  74           HA       THR  74  -5.711   8.425  -1.476
  596    HB   THR  74           HB       THR  74  -3.753   7.577  -0.806
  597    HG1  THR  74           1HG      THR  74  -3.726   6.900   1.302
  598   1HG2  THR  74          1HG2      THR  74  -3.450  10.225   0.531
  599   2HG2  THR  74          2HG2      THR  74  -2.438   9.457  -0.693
  600   3HG2  THR  74          3HG2      THR  74  -2.354   8.919   0.984
  601    H    SER  75           H        SER  75  -6.318  10.880   0.765
  602    HA   SER  75           HA       SER  75  -7.656   9.344   2.763
  603   1HB   SER  75          2HB       SER  75  -7.930  11.324   3.856
  604   2HB   SER  75          1HB       SER  75  -6.730  11.886   2.693
  605    HG   SER  75           HG       SER  75  -9.227  12.724   3.011
  606    H    THR  76           H        THR  76 -10.050  10.043   3.265
  607    HA   THR  76           HA       THR  76 -11.589   9.734   0.769
  608    HB   THR  76           HB       THR  76 -11.638   7.691   2.138
  609    HG1  THR  76           1HG      THR  76 -13.645   7.478   1.514
  610   1HG2  THR  76          1HG2      THR  76 -13.116   9.268   4.233
  611   2HG2  THR  76          2HG2      THR  76 -11.382   8.958   4.328
  612   3HG2  THR  76          3HG2      THR  76 -12.521   7.612   4.327
  613    H    SER  77           H        SER  77 -10.823  11.983   2.900
  614    HA   SER  77           HA       SER  77 -11.754  13.906   3.680
  615   1HB   SER  77          2HB       SER  77 -12.518  13.701   1.099
  616   2HB   SER  77          1HB       SER  77 -14.101  13.737   1.875
  617    HG   SER  77           HG       SER  77 -13.137  15.642   3.046
  618    H    THR  78           H        THR  78 -12.266  12.903   5.698
  619    HA   THR  78           HA       THR  78 -15.137  12.877   6.211
  620    HB   THR  78           HB       THR  78 -13.397  10.619   7.207
  621    HG1  THR  78           1HG      THR  78 -15.257   9.756   5.519
  622   1HG2  THR  78          1HG2      THR  78 -15.345   9.683   8.085
  623   2HG2  THR  78          2HG2      THR  78 -16.394  10.680   7.079
  624   3HG2  THR  78          3HG2      THR  78 -15.532  11.400   8.439
  625    HA   PRO  79           HA       PRO  79 -12.978  15.199   9.506
  626   1HB   PRO  79          2HB       PRO  79 -15.540  16.584   9.762
  627   2HB   PRO  79          1HB       PRO  79 -13.953  17.241   9.353
  628   1HG   PRO  79          2HG       PRO  79 -15.965  17.078   7.554
  629   2HG   PRO  79          1HG       PRO  79 -14.258  16.933   7.096
  630   1HD   PRO  79          2HD       PRO  79 -16.306  14.781   7.494
  631   2HD   PRO  79          1HD       PRO  79 -15.064  14.935   6.231
  632    H    GLY  80           H        GLY  80 -13.463  15.476  11.801
  633   1HA   GLY  80          2HA       GLY  80 -15.729  14.544  13.108
  634   2HA   GLY  80          1HA       GLY  80 -14.663  13.160  12.921
  635    H    SER  81           H        SER  81 -12.189  14.211  13.331
  636    HA   SER  81           HA       SER  81 -12.374  15.321  16.054
  637   1HB   SER  81          2HB       SER  81 -10.041  14.053  16.226
  638   2HB   SER  81          1HB       SER  81 -11.566  13.223  16.536
  639    HG   SER  81           HG       SER  81 -10.973  13.187  13.903
  640    H    ARG  82           H        ARG  82 -10.523  16.581  16.763
  641    HA   ARG  82           HA       ARG  82  -9.105  17.865  14.524
  642   1HB   ARG  82          2HB       ARG  82  -9.109  19.820  16.391
  643   2HB   ARG  82          1HB       ARG  82 -10.320  19.675  15.127
  644   1HG   ARG  82          2HG       ARG  82 -11.058  18.065  17.385
  645   2HG   ARG  82          1HG       ARG  82 -10.730  19.724  17.891
  646   1HD   ARG  82          2HD       ARG  82 -13.037  19.603  17.325
  647   2HD   ARG  82          1HD       ARG  82 -12.227  20.490  16.035
  648    HE   ARG  82           HE       ARG  82 -13.080  17.674  15.842
  649   1HH1  ARG  82          1HH1      ARG  82 -12.402  20.776  14.405
  650   2HH1  ARG  82          2HH1      ARG  82 -12.909  20.296  12.820
  651   1HH2  ARG  82          1HH2      ARG  82 -13.745  17.034  13.758
  652   2HH2  ARG  82          2HH2      ARG  82 -13.672  18.169  12.452
  653    H    SER  83           H        SER  83  -8.976  16.759  17.851
  654    HA   SER  83           HA       SER  83  -6.334  17.621  18.406
  655   1HB   SER  83          2HB       SER  83  -6.835  15.308  19.938
  656   2HB   SER  83          1HB       SER  83  -7.025  16.987  20.442
  657    HG   SER  83           HG       SER  83  -9.173  16.851  19.499
  658    H    HIS  84           H        HIS  84  -4.378  16.568  18.237
  659    HA   HIS  84           HA       HIS  84  -4.330  13.902  17.049
  660   1HB   HIS  84          2HB       HIS  84  -3.975  16.201  15.490
  661   2HB   HIS  84          1HB       HIS  84  -2.353  15.567  15.750
  662    HD2  HIS  84           2HD      HIS  84  -2.194  12.702  15.046
  663    HE1  HIS  84           1HE      HIS  84  -5.189  13.221  12.100
  664    HE2  HIS  84           2HE      HIS  84  -3.479  11.619  13.071
  665    H    HIS  85           H        HIS  85  -3.484  13.169  19.005
  666    HA   HIS  85           HA       HIS  85  -1.908  12.696  20.577
  667   1HB   HIS  85          2HB       HIS  85  -0.752  12.466  18.060
  668   2HB   HIS  85          1HB       HIS  85   0.423  13.399  18.980
  669    HD2  HIS  85           2HD      HIS  85  -1.028   9.823  18.769
  670    HE1  HIS  85           1HE      HIS  85   1.973   9.897  21.754
  671    HE2  HIS  85           2HE      HIS  85   0.557   8.413  20.262
  672    H    HIS  86           H        HIS  86  -2.420  14.456  21.950
  673    HA   HIS  86           HA       HIS  86  -0.290  16.471  22.054
  674   1HB   HIS  86          2HB       HIS  86  -3.025  16.992  21.451
  675   2HB   HIS  86          1HB       HIS  86  -2.686  17.656  23.047
  676    HD2  HIS  86           2HD      HIS  86  -3.124  20.074  21.366
  677    HE1  HIS  86           1HE      HIS  86   0.939  19.986  20.185
  678    HE2  HIS  86           2HE      HIS  86  -1.117  21.444  20.459
  679    H    HIS  87           H        HIS  87  -3.167  16.300  24.081
  680    HA   HIS  87           HA       HIS  87  -1.906  14.841  26.188
  681   1HB   HIS  87          2HB       HIS  87  -1.651  16.600  27.805
  682   2HB   HIS  87          1HB       HIS  87  -0.764  17.061  26.357
  683    HD2  HIS  87           2HD      HIS  87  -3.037  18.522  24.642
  684    HE1  HIS  87           1HE      HIS  87  -3.708  20.783  28.157
  685    HE2  HIS  87           2HE      HIS  87  -3.919  20.753  25.630
  686    H    HIS  88           H        HIS  88  -3.269  14.784  28.166
  687    HA   HIS  88           HA       HIS  88  -5.978  15.730  27.975
  688   1HB   HIS  88          2HB       HIS  88  -6.906  13.355  28.183
  689   2HB   HIS  88          1HB       HIS  88  -6.357  13.858  26.588
  690    HD2  HIS  88           2HD      HIS  88  -4.328  12.394  25.506
  691    HE1  HIS  88           1HE      HIS  88  -3.768   9.867  28.855
  692    HE2  HIS  88           2HE      HIS  88  -3.006  10.392  26.494
  693    H    HIS  89           H        HIS  89  -7.034  15.707  29.938
  694    HA   HIS  89           HA       HIS  89  -6.070  14.179  32.168
  695   1HB   HIS  89          2HB       HIS  89  -4.647  16.447  31.773
  696   2HB   HIS  89          1HB       HIS  89  -5.952  17.073  32.776
  697    HD2  HIS  89           2HD      HIS  89  -2.579  15.642  33.243
  698    HE1  HIS  89           1HE      HIS  89  -4.739  14.582  36.727
  699    HE2  HIS  89           2HE      HIS  89  -2.431  14.909  35.728
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1 -18.417  -9.499  -0.589
    2   2H    MET   1          2HT       MET   1 -17.299  -8.274  -0.256
    3   3H    MET   1          3HT       MET   1 -16.765  -9.774  -0.825
    4    HA   MET   1           HA       MET   1 -18.628  -8.817  -2.656
    5   1HB   MET   1          2HB       MET   1 -17.548  -6.698  -3.309
    6   2HB   MET   1          1HB       MET   1 -18.234  -6.613  -1.692
    7   1HG   MET   1          2HG       MET   1 -15.636  -7.441  -1.261
    8   2HG   MET   1          1HG       MET   1 -15.499  -6.270  -2.571
    9   1HE   MET   1          1HE       MET   1 -14.071  -5.146   0.346
   10   2HE   MET   1          2HE       MET   1 -14.570  -3.604  -0.350
   11   3HE   MET   1          3HE       MET   1 -14.069  -4.927  -1.404
   12    H    ARG   2           H        ARG   2 -15.439  -9.640  -1.619
   13    HA   ARG   2           HA       ARG   2 -14.869 -10.702  -4.288
   14   1HB   ARG   2          2HB       ARG   2 -12.997  -8.980  -2.659
   15   2HB   ARG   2          1HB       ARG   2 -12.483  -9.947  -4.035
   16   1HG   ARG   2          2HG       ARG   2 -14.239  -8.666  -5.371
   17   2HG   ARG   2          1HG       ARG   2 -14.290  -7.555  -4.001
   18   1HD   ARG   2          2HD       ARG   2 -11.813  -7.291  -4.232
   19   2HD   ARG   2          1HD       ARG   2 -11.908  -8.238  -5.717
   20    HE   ARG   2           HE       ARG   2 -13.636  -6.336  -6.290
   21   1HH1  ARG   2          1HH1      ARG   2 -10.538  -6.073  -4.719
   22   2HH1  ARG   2          2HH1      ARG   2 -10.230  -4.473  -5.308
   23   1HH2  ARG   2          1HH2      ARG   2 -13.240  -4.230  -7.072
   24   2HH2  ARG   2          2HH2      ARG   2 -11.767  -3.425  -6.647
   25    H    GLY   3           H        GLY   3 -15.292 -12.772  -3.505
   26   1HA   GLY   3          2HA       GLY   3 -13.665 -14.626  -2.924
   27   2HA   GLY   3          1HA       GLY   3 -13.443 -13.747  -1.419
   28    H    SER   4           H        SER   4 -15.387 -15.975  -3.157
   29    HA   SER   4           HA       SER   4 -17.075 -16.313  -0.776
   30   1HB   SER   4          2HB       SER   4 -18.372 -16.924  -3.357
   31   2HB   SER   4          1HB       SER   4 -19.033 -16.157  -1.915
   32    HG   SER   4           HG       SER   4 -17.240 -14.869  -3.693
   33    H    ASN   5           H        ASN   5 -15.837 -18.069  -0.126
   34    HA   ASN   5           HA       ASN   5 -15.155 -20.233  -0.002
   35   1HB   ASN   5          2HB       ASN   5 -17.606 -20.629  -1.731
   36   2HB   ASN   5          1HB       ASN   5 -16.734 -21.924  -0.917
   37   1HD2  ASN   5          1HD2      ASN   5 -19.120 -22.044  -0.182
   38   2HD2  ASN   5          2HD2      ASN   5 -19.464 -21.258   1.319
   39    H    ALA   6           H        ALA   6 -13.280 -19.507  -1.305
   40    HA   ALA   6           HA       ALA   6 -13.083 -21.142  -3.729
   41   1HB   ALA   6          1HB       ALA   6 -13.545 -18.892  -4.520
   42   2HB   ALA   6          2HB       ALA   6 -11.886 -19.349  -4.907
   43   3HB   ALA   6          3HB       ALA   6 -12.209 -18.260  -3.558
   44    HA   PRO   7           HA       PRO   7  -9.390 -22.416  -1.576
   45   1HB   PRO   7          2HB       PRO   7  -8.242 -23.787  -3.644
   46   2HB   PRO   7          1HB       PRO   7  -9.545 -24.437  -2.643
   47   1HG   PRO   7          2HG       PRO   7  -9.686 -23.162  -5.347
   48   2HG   PRO   7          1HG       PRO   7 -10.531 -24.600  -4.741
   49   1HD   PRO   7          2HD       PRO   7 -11.745 -22.201  -4.920
   50   2HD   PRO   7          1HD       PRO   7 -12.117 -23.349  -3.617
   51    H    GLN   8           H        GLN   8  -7.848 -20.974  -1.170
   52    HA   GLN   8           HA       GLN   8  -6.407 -19.775  -3.444
   53   1HB   GLN   8          2HB       GLN   8  -7.536 -18.571  -0.987
   54   2HB   GLN   8          1HB       GLN   8  -5.942 -18.000  -1.461
   55   1HG   GLN   8          2HG       GLN   8  -7.181 -17.833  -3.824
   56   2HG   GLN   8          1HG       GLN   8  -8.565 -17.609  -2.753
   57   1HE2  GLN   8          1HE2      GLN   8  -7.458 -16.230  -0.679
   58   2HE2  GLN   8          2HE2      GLN   8  -6.907 -14.686  -1.222
   59    HA   PRO   9           HA       PRO   9  -2.783 -21.607  -1.677
   60   1HB   PRO   9          2HB       PRO   9  -0.873 -20.146  -2.900
   61   2HB   PRO   9          1HB       PRO   9  -1.854 -21.331  -3.771
   62   1HG   PRO   9          2HG       PRO   9  -2.158 -18.355  -3.635
   63   2HG   PRO   9          1HG       PRO   9  -2.281 -19.429  -5.042
   64   1HD   PRO   9          2HD       PRO   9  -4.452 -18.466  -3.714
   65   2HD   PRO   9          1HD       PRO   9  -4.443 -20.035  -4.546
   66    H    SER  10           H        SER  10  -0.775 -21.008  -0.482
   67    HA   SER  10           HA       SER  10  -1.357 -19.292   1.671
   68   1HB   SER  10          2HB       SER  10   1.393 -20.252   0.859
   69   2HB   SER  10          1HB       SER  10   0.850 -19.799   2.474
   70    HG   SER  10           HG       SER  10   0.471 -21.863   2.644
   71    H    HIS  11           H        HIS  11  -1.144 -17.165   1.902
   72    HA   HIS  11           HA       HIS  11  -0.160 -15.556  -0.246
   73   1HB   HIS  11          2HB       HIS  11  -0.900 -14.651   2.542
   74   2HB   HIS  11          1HB       HIS  11  -0.835 -13.663   1.086
   75    HD2  HIS  11           2HD      HIS  11  -3.427 -15.174   3.177
   76    HE1  HIS  11           1HE      HIS  11  -4.972 -15.391  -0.757
   77    HE2  HIS  11           2HE      HIS  11  -5.483 -15.743   1.701
   78    H    ILE  12           H        ILE  12   1.117 -13.450   0.899
   79    HA   ILE  12           HA       ILE  12   3.769 -14.513   1.278
   80    HB   ILE  12           HB       ILE  12   3.384 -12.500  -0.098
   81   1HG1  ILE  12          2HG1      ILE  12   4.991 -11.145   1.848
   82   2HG1  ILE  12          1HG1      ILE  12   5.365 -12.866   1.910
   83   1HG2  ILE  12          1HG2      ILE  12   2.792 -10.385   0.896
   84   2HG2  ILE  12          2HG2      ILE  12   2.730 -11.116   2.500
   85   3HG2  ILE  12          3HG2      ILE  12   1.545 -11.573   1.277
   86   1HD1  ILE  12          1HD1      ILE  12   6.744 -11.423   0.346
   87   2HD1  ILE  12          2HD1      ILE  12   5.308 -11.353  -0.675
   88   3HD1  ILE  12          3HD1      ILE  12   6.063 -12.907  -0.321
   89    H    SER  13           H        SER  13   5.162 -13.971   3.060
   90    HA   SER  13           HA       SER  13   4.114 -14.483   5.577
   91   1HB   SER  13          2HB       SER  13   6.458 -14.805   5.238
   92   2HB   SER  13          1HB       SER  13   6.684 -13.126   4.747
   93    HG   SER  13           HG       SER  13   6.260 -14.192   7.313
   94    H    LYS  14           H        LYS  14   4.989 -11.381   4.095
   95    HA   LYS  14           HA       LYS  14   2.902  -9.973   5.370
   96   1HB   LYS  14          2HB       LYS  14   4.252  -8.541   6.863
   97   2HB   LYS  14          1HB       LYS  14   4.246 -10.222   7.374
   98   1HG   LYS  14          2HG       LYS  14   6.454 -10.156   7.434
   99   2HG   LYS  14          1HG       LYS  14   6.459  -9.949   5.682
  100   1HD   LYS  14          2HD       LYS  14   7.072  -7.805   5.841
  101   2HD   LYS  14          1HD       LYS  14   5.872  -7.475   7.093
  102   1HE   LYS  14          2HE       LYS  14   8.510  -8.848   7.585
  103   2HE   LYS  14          1HE       LYS  14   8.232  -7.122   7.816
  104   1HZ   LYS  14          1HZ       LYS  14   7.671  -7.702   9.879
  105   2HZ   LYS  14          2HZ       LYS  14   7.483  -9.337   9.489
  106   3HZ   LYS  14          3HZ       LYS  14   6.215  -8.251   9.215
  107    H    TYR  15           H        TYR  15   2.633  -7.936   4.529
  108    HA   TYR  15           HA       TYR  15   4.496  -7.171   2.388
  109   1HB   TYR  15          2HB       TYR  15   1.869  -7.622   2.141
  110   2HB   TYR  15          1HB       TYR  15   1.797  -5.933   2.630
  111    HD1  TYR  15           1HD      TYR  15   1.764  -7.980  -0.119
  112    HD2  TYR  15           2HD      TYR  15   3.689  -4.464   1.303
  113    HE1  TYR  15           1HE      TYR  15   2.208  -7.294  -2.435
  114    HE2  TYR  15           2HE      TYR  15   4.139  -3.760  -1.009
  115    HH   TYR  15           HH       TYR  15   4.017  -5.756  -3.584
  116    H    ILE  16           H        ILE  16   5.295  -5.062   2.274
  117    HA   ILE  16           HA       ILE  16   4.779  -3.407   4.657
  118    HB   ILE  16           HB       ILE  16   7.320  -3.749   3.075
  119   1HG1  ILE  16          2HG1      ILE  16   7.013  -5.372   4.850
  120   2HG1  ILE  16          1HG1      ILE  16   8.256  -4.224   5.335
  121   1HG2  ILE  16          1HG2      ILE  16   6.706  -1.636   5.141
  122   2HG2  ILE  16          2HG2      ILE  16   6.976  -1.362   3.420
  123   3HG2  ILE  16          3HG2      ILE  16   8.291  -1.953   4.436
  124   1HD1  ILE  16          1HD1      ILE  16   6.514  -3.018   6.651
  125   2HD1  ILE  16          2HD1      ILE  16   6.871  -4.650   7.216
  126   3HD1  ILE  16          3HD1      ILE  16   5.407  -4.341   6.282
  127    H    LEU  17           H        LEU  17   3.701  -1.626   4.251
  128    HA   LEU  17           HA       LEU  17   3.828  -0.460   1.556
  129   1HB   LEU  17          2HB       LEU  17   1.591  -1.098   2.309
  130   2HB   LEU  17          1HB       LEU  17   1.782  -0.130   3.755
  131    HG   LEU  17           HG       LEU  17   1.805   1.911   2.424
  132   1HD1  LEU  17          1HD1      LEU  17   0.878   0.997  -0.080
  133   2HD1  LEU  17          2HD1      LEU  17   2.363   0.120   0.287
  134   3HD1  LEU  17          3HD1      LEU  17   2.358   1.884   0.283
  135   1HD2  LEU  17          1HD2      LEU  17  -0.516   0.134   1.691
  136   2HD2  LEU  17          2HD2      LEU  17  -0.509   1.897   1.720
  137   3HD2  LEU  17          3HD2      LEU  17  -0.332   0.989   3.222
  138    H    ARG  18           H        ARG  18   5.180   1.203   1.384
  139    HA   ARG  18           HA       ARG  18   5.491   2.965   3.715
  140   1HB   ARG  18          2HB       ARG  18   7.745   3.453   2.292
  141   2HB   ARG  18          1HB       ARG  18   7.637   2.293   3.608
  142   1HG   ARG  18          2HG       ARG  18   6.833   0.799   1.469
  143   2HG   ARG  18          1HG       ARG  18   8.043   1.863   0.751
  144   1HD   ARG  18          2HD       ARG  18   9.205   1.078   3.127
  145   2HD   ARG  18          1HD       ARG  18   8.371  -0.378   2.581
  146    HE   ARG  18           HE       ARG  18   9.889   0.861   0.499
  147   1HH1  ARG  18          1HH1      ARG  18  10.100  -1.249   3.266
  148   2HH1  ARG  18          2HH1      ARG  18  11.513  -2.069   2.692
  149   1HH2  ARG  18          1HH2      ARG  18  11.749  -0.219  -0.263
  150   2HH2  ARG  18          2HH2      ARG  18  12.449  -1.485   0.690
  151    H    TRP  19           H        TRP  19   5.000   5.056   3.477
  152    HA   TRP  19           HA       TRP  19   5.035   6.216   0.805
  153   1HB   TRP  19          2HB       TRP  19   2.845   7.269   1.168
  154   2HB   TRP  19          1HB       TRP  19   2.734   5.519   1.138
  155    HD1  TRP  19           HD       TRP  19   2.177   8.505   3.356
  156    HE1  TRP  19           1HE      TRP  19   1.066   7.765   5.557
  157    HE3  TRP  19           3HE      TRP  19   2.629   3.455   2.818
  158    HZ2  TRP  19           2HZ      TRP  19   0.464   5.350   6.889
  159    HZ3  TRP  19           3HZ      TRP  19   1.763   1.994   4.598
  160    HH2  TRP  19           HH       TRP  19   0.704   2.923   6.592
  161    H    ARG  20           H        ARG  20   5.317   8.391   0.741
  162    HA   ARG  20           HA       ARG  20   5.403  10.012   3.092
  163   1HB   ARG  20          2HB       ARG  20   7.509   9.621   3.720
  164   2HB   ARG  20          1HB       ARG  20   7.783   8.588   2.327
  165   1HG   ARG  20          2HG       ARG  20   7.866  11.274   1.433
  166   2HG   ARG  20          1HG       ARG  20   8.857  11.147   2.886
  167   1HD   ARG  20          2HD       ARG  20  10.369   9.795   1.900
  168   2HD   ARG  20          1HD       ARG  20   9.156   8.972   0.925
  169    HE   ARG  20           HE       ARG  20   9.180  11.218  -0.351
  170   1HH1  ARG  20          1HH1      ARG  20  11.931   9.625   1.073
  171   2HH1  ARG  20          2HH1      ARG  20  13.060  10.270  -0.070
  172   1HH2  ARG  20          1HH2      ARG  20  10.661  12.075  -1.863
  173   2HH2  ARG  20          2HH2      ARG  20  12.339  11.662  -1.738
  174    HA   PRO  21           HA       PRO  21   4.632  13.201   0.159
  175   1HB   PRO  21          2HB       PRO  21   6.529  14.920   1.667
  176   2HB   PRO  21          1HB       PRO  21   4.828  15.194   1.275
  177   1HG   PRO  21          2HG       PRO  21   5.543  14.538   3.751
  178   2HG   PRO  21          1HG       PRO  21   4.074  13.861   3.024
  179   1HD   PRO  21          2HD       PRO  21   6.762  12.597   3.399
  180   2HD   PRO  21          1HD       PRO  21   5.144  11.904   3.635
  181    H    LYS  22           H        LYS  22   5.495  12.832  -1.785
  182    HA   LYS  22           HA       LYS  22   8.236  12.503  -2.344
  183   1HB   LYS  22          2HB       LYS  22   5.939  12.002  -3.690
  184   2HB   LYS  22          1HB       LYS  22   6.488  13.441  -4.536
  185   1HG   LYS  22          2HG       LYS  22   8.773  12.028  -4.504
  186   2HG   LYS  22          1HG       LYS  22   7.593  10.714  -4.516
  187   1HD   LYS  22          2HD       LYS  22   7.419  11.001  -6.718
  188   2HD   LYS  22          1HD       LYS  22   6.652  12.556  -6.390
  189   1HE   LYS  22          2HE       LYS  22   8.900  13.599  -6.349
  190   2HE   LYS  22          1HE       LYS  22   9.595  12.045  -6.806
  191   1HZ   LYS  22          1HZ       LYS  22   7.604  13.551  -8.416
  192   2HZ   LYS  22          2HZ       LYS  22   8.369  12.110  -8.862
  193   3HZ   LYS  22          3HZ       LYS  22   9.270  13.533  -8.709
  194    H    ASN  23           H        ASN  23   6.150  15.318  -2.318
  195    HA   ASN  23           HA       ASN  23   8.218  16.989  -3.515
  196   1HB   ASN  23          2HB       ASN  23   5.458  17.077  -3.595
  197   2HB   ASN  23          1HB       ASN  23   5.860  18.364  -2.463
  198   1HD2  ASN  23          1HD2      ASN  23   5.983  17.283  -5.730
  199   2HD2  ASN  23          2HD2      ASN  23   6.584  18.750  -6.418
  200    H    SER  24           H        SER  24   6.615  16.491  -0.414
  201    HA   SER  24           HA       SER  24   8.126  18.642   0.821
  202   1HB   SER  24          2HB       SER  24   5.643  17.678   1.323
  203   2HB   SER  24          1HB       SER  24   6.574  16.802   2.538
  204    HG   SER  24           HG       SER  24   5.956  18.738   3.432
  205    H    VAL  25           H        VAL  25   8.492  17.517   3.374
  206    HA   VAL  25           HA       VAL  25  11.042  16.388   3.117
  207    HB   VAL  25           HB       VAL  25  10.006  17.602   5.132
  208   1HG1  VAL  25          1HG1      VAL  25   9.323  14.849   6.090
  209   2HG1  VAL  25          2HG1      VAL  25   8.133  15.827   5.234
  210   3HG1  VAL  25          3HG1      VAL  25   8.831  16.412   6.743
  211   1HG2  VAL  25          1HG2      VAL  25  11.414  16.090   6.721
  212   2HG2  VAL  25          2HG2      VAL  25  12.206  16.980   5.421
  213   3HG2  VAL  25          3HG2      VAL  25  11.857  15.262   5.228
  214    H    GLY  26           H        GLY  26  11.699  14.265   4.129
  215   1HA   GLY  26          2HA       GLY  26  10.331  12.147   2.769
  216   2HA   GLY  26          1HA       GLY  26  11.748  11.984   3.795
  217    H    ARG  27           H        ARG  27  11.503  11.052   5.721
  218    HA   ARG  27           HA       ARG  27  10.547  10.024   7.506
  219   1HB   ARG  27          2HB       ARG  27   9.309  12.563   7.283
  220   2HB   ARG  27          1HB       ARG  27   8.063  11.411   7.736
  221   1HG   ARG  27          2HG       ARG  27   9.228  10.786   9.700
  222   2HG   ARG  27          1HG       ARG  27  10.687  11.637   9.184
  223   1HD   ARG  27          2HD       ARG  27   9.715  13.054  10.772
  224   2HD   ARG  27          1HD       ARG  27   9.253  13.750   9.220
  225    HE   ARG  27           HE       ARG  27   7.392  11.952  10.601
  226   1HH1  ARG  27          1HH1      ARG  27   8.212  15.125   9.421
  227   2HH1  ARG  27          2HH1      ARG  27   6.618  15.763   9.646
  228   1HH2  ARG  27          1HH2      ARG  27   5.289  12.783  10.902
  229   2HH2  ARG  27          2HH2      ARG  27   4.957  14.432  10.490
  230    H    TRP  28           H        TRP  28  10.272   8.358   5.717
  231    HA   TRP  28           HA       TRP  28   7.822   7.795   4.507
  232   1HB   TRP  28          2HB       TRP  28  10.027   5.938   5.428
  233   2HB   TRP  28          1HB       TRP  28   8.657   5.410   4.460
  234    HD1  TRP  28           HD       TRP  28  11.760   7.688   4.223
  235    HE1  TRP  28           1HE      TRP  28  12.388   7.927   1.737
  236    HE3  TRP  28           3HE      TRP  28   7.792   5.227   2.143
  237    HZ2  TRP  28           2HZ      TRP  28  11.338   7.172  -0.773
  238    HZ3  TRP  28           3HZ      TRP  28   7.680   5.029  -0.308
  239    HH2  TRP  28           HH       TRP  28   9.416   5.983  -1.733
  240    H    LYS  29           H        LYS  29   6.464   5.811   5.038
  241    HA   LYS  29           HA       LYS  29   6.137   5.353   7.918
  242   1HB   LYS  29          2HB       LYS  29   3.605   5.561   6.410
  243   2HB   LYS  29          1HB       LYS  29   3.983   6.075   8.048
  244   1HG   LYS  29          2HG       LYS  29   5.421   7.806   6.409
  245   2HG   LYS  29          1HG       LYS  29   3.853   7.620   5.623
  246   1HD   LYS  29          2HD       LYS  29   3.480   9.388   7.077
  247   2HD   LYS  29          1HD       LYS  29   2.895   8.004   8.004
  248   1HE   LYS  29          2HE       LYS  29   5.121   7.889   9.112
  249   2HE   LYS  29          1HE       LYS  29   5.569   9.371   8.271
  250   1HZ   LYS  29          1HZ       LYS  29   4.782   9.766  10.545
  251   2HZ   LYS  29          2HZ       LYS  29   3.274   9.117  10.138
  252   3HZ   LYS  29          3HZ       LYS  29   3.811  10.538   9.394
  253    H    GLU  30           H        GLU  30   5.704   3.212   8.371
  254    HA   GLU  30           HA       GLU  30   5.179   1.514   6.022
  255   1HB   GLU  30          2HB       GLU  30   6.939   1.034   8.411
  256   2HB   GLU  30          1HB       GLU  30   6.398  -0.278   7.373
  257   1HG   GLU  30          2HG       GLU  30   7.749   0.325   5.666
  258   2HG   GLU  30          1HG       GLU  30   7.632   2.046   6.034
  259    H    ALA  31           H        ALA  31   3.653   0.026   6.071
  260    HA   ALA  31           HA       ALA  31   2.306  -0.632   8.589
  261   1HB   ALA  31          1HB       ALA  31   1.171   1.237   7.110
  262   2HB   ALA  31          2HB       ALA  31   0.205  -0.017   7.890
  263   3HB   ALA  31          3HB       ALA  31   0.614  -0.154   6.180
  264    H    THR  32           H        THR  32   2.302  -2.796   8.764
  265    HA   THR  32           HA       THR  32   2.840  -4.411   6.430
  266    HB   THR  32           HB       THR  32   2.438  -5.289   9.292
  267    HG1  THR  32           1HG      THR  32   4.952  -5.527   8.474
  268   1HG2  THR  32          1HG2      THR  32   3.352  -6.727   6.809
  269   2HG2  THR  32          2HG2      THR  32   2.080  -7.191   7.941
  270   3HG2  THR  32          3HG2      THR  32   3.774  -7.293   8.425
  271    H    ILE  33           H        ILE  33   1.501  -5.634   5.328
  272    HA   ILE  33           HA       ILE  33  -1.157  -6.236   6.423
  273    HB   ILE  33           HB       ILE  33  -1.013  -5.783   3.499
  274   1HG1  ILE  33          2HG1      ILE  33  -1.714  -3.279   4.652
  275   2HG1  ILE  33          1HG1      ILE  33  -0.150  -3.745   5.314
  276   1HG2  ILE  33          1HG2      ILE  33  -3.019  -6.507   4.910
  277   2HG2  ILE  33          2HG2      ILE  33  -3.270  -5.224   3.728
  278   3HG2  ILE  33          3HG2      ILE  33  -3.091  -4.825   5.437
  279   1HD1  ILE  33          1HD1      ILE  33   0.852  -3.787   3.206
  280   2HD1  ILE  33          2HD1      ILE  33  -0.175  -2.354   3.184
  281   3HD1  ILE  33          3HD1      ILE  33  -0.700  -3.827   2.371
  282    HA   PRO  34           HA       PRO  34   0.630 -10.236   5.275
  283   1HB   PRO  34          2HB       PRO  34  -1.945 -11.177   6.387
  284   2HB   PRO  34          1HB       PRO  34  -0.300 -11.655   6.808
  285   1HG   PRO  34          2HG       PRO  34  -1.738 -10.123   8.447
  286   2HG   PRO  34          1HG       PRO  34   0.001  -9.843   8.226
  287   1HD   PRO  34          2HD       PRO  34  -2.323  -8.362   7.049
  288   2HD   PRO  34          1HD       PRO  34  -0.800  -7.727   7.709
  289    H    GLY  35           H        GLY  35   0.305  -9.669   3.001
  290   1HA   GLY  35          2HA       GLY  35  -0.536 -10.121   0.917
  291   2HA   GLY  35          1HA       GLY  35  -1.347 -11.491   1.659
  292    H    HIS  36           H        HIS  36  -2.018  -8.304   2.829
  293    HA   HIS  36           HA       HIS  36  -3.884  -7.011   2.814
  294   1HB   HIS  36          2HB       HIS  36  -3.866  -8.097   0.021
  295   2HB   HIS  36          1HB       HIS  36  -5.237  -7.142   0.572
  296    HD2  HIS  36           2HD      HIS  36  -1.852  -5.937   1.915
  297    HE1  HIS  36           1HE      HIS  36  -2.927  -3.461  -1.344
  298    HE2  HIS  36           2HE      HIS  36  -1.424  -3.694   0.685
  299    H    LEU  37           H        LEU  37  -5.279  -7.684   4.303
  300    HA   LEU  37           HA       LEU  37  -6.688 -10.176   4.088
  301   1HB   LEU  37          2HB       LEU  37  -7.979  -8.906   6.104
  302   2HB   LEU  37          1HB       LEU  37  -6.529  -9.860   6.302
  303    HG   LEU  37           HG       LEU  37  -6.543  -7.668   7.507
  304   1HD1  LEU  37          1HD1      LEU  37  -4.238  -7.098   6.025
  305   2HD1  LEU  37          2HD1      LEU  37  -4.463  -8.845   5.937
  306   3HD1  LEU  37          3HD1      LEU  37  -4.370  -8.046   7.506
  307   1HD2  LEU  37          1HD2      LEU  37  -7.268  -6.682   4.949
  308   2HD2  LEU  37          2HD2      LEU  37  -5.705  -5.990   5.383
  309   3HD2  LEU  37          3HD2      LEU  37  -7.085  -5.797   6.462
  310    H    ASN  38           H        ASN  38  -7.352  -6.836   3.407
  311    HA   ASN  38           HA       ASN  38  -9.504  -7.362   1.703
  312   1HB   ASN  38          2HB       ASN  38 -11.416  -6.608   2.953
  313   2HB   ASN  38          1HB       ASN  38 -10.643  -7.886   3.883
  314   1HD2  ASN  38          1HD2      ASN  38 -11.944  -4.848   4.021
  315   2HD2  ASN  38          2HD2      ASN  38 -11.254  -4.317   5.513
  316    H    SER  39           H        SER  39 -10.928  -4.829   2.492
  317    HA   SER  39           HA       SER  39  -9.204  -3.040   1.053
  318   1HB   SER  39          2HB       SER  39 -12.006  -3.099   1.883
  319   2HB   SER  39          1HB       SER  39 -11.284  -1.498   2.039
  320    HG   SER  39           HG       SER  39 -12.190  -2.555  -0.139
  321    H    TYR  40           H        TYR  40  -7.478  -2.274   2.092
  322    HA   TYR  40           HA       TYR  40  -7.762  -1.396   4.878
  323   1HB   TYR  40          2HB       TYR  40  -5.946  -3.042   4.200
  324   2HB   TYR  40          1HB       TYR  40  -5.186  -1.708   3.338
  325    HD1  TYR  40           1HD      TYR  40  -6.053  -3.041   6.651
  326    HD2  TYR  40           2HD      TYR  40  -4.066   0.065   4.529
  327    HE1  TYR  40           1HE      TYR  40  -4.938  -2.343   8.728
  328    HE2  TYR  40           2HE      TYR  40  -2.946   0.772   6.601
  329    HH   TYR  40           HH       TYR  40  -3.379  -1.018   9.627
  330    H    THR  41           H        THR  41  -8.162   0.684   5.163
  331    HA   THR  41           HA       THR  41  -7.207   2.616   3.170
  332    HB   THR  41           HB       THR  41  -9.678   2.505   3.925
  333    HG1  THR  41           1HG      THR  41  -9.812   4.758   3.656
  334   1HG2  THR  41          1HG2      THR  41  -9.335   4.429   6.013
  335   2HG2  THR  41          2HG2      THR  41  -8.452   2.964   6.436
  336   3HG2  THR  41          3HG2      THR  41 -10.175   2.879   6.066
  337    H    ILE  42           H        ILE  42  -6.034   4.459   3.782
  338    HA   ILE  42           HA       ILE  42  -4.716   4.209   6.401
  339    HB   ILE  42           HB       ILE  42  -3.727   5.695   3.963
  340   1HG1  ILE  42          2HG1      ILE  42  -2.629   3.115   5.074
  341   2HG1  ILE  42          1HG1      ILE  42  -3.863   3.140   3.819
  342   1HG2  ILE  42          1HG2      ILE  42  -1.557   5.615   5.260
  343   2HG2  ILE  42          2HG2      ILE  42  -2.516   5.129   6.658
  344   3HG2  ILE  42          3HG2      ILE  42  -2.800   6.693   5.895
  345   1HD1  ILE  42          1HD1      ILE  42  -2.186   4.681   2.574
  346   2HD1  ILE  42          2HD1      ILE  42  -1.929   2.937   2.599
  347   3HD1  ILE  42          3HD1      ILE  42  -1.008   3.979   3.683
  348    H    LYS  43           H        LYS  43  -5.448   5.547   7.875
  349    HA   LYS  43           HA       LYS  43  -6.656   7.279   8.798
  350   1HB   LYS  43          2HB       LYS  43  -4.611   8.926   7.325
  351   2HB   LYS  43          1HB       LYS  43  -5.322   9.238   8.902
  352   1HG   LYS  43          2HG       LYS  43  -3.477   6.947   8.252
  353   2HG   LYS  43          1HG       LYS  43  -3.005   8.445   9.055
  354   1HD   LYS  43          2HD       LYS  43  -3.404   7.283  10.942
  355   2HD   LYS  43          1HD       LYS  43  -5.094   7.658  10.602
  356   1HE   LYS  43          2HE       LYS  43  -5.240   5.513   9.333
  357   2HE   LYS  43          1HE       LYS  43  -3.606   5.137   9.883
  358   1HZ   LYS  43          1HZ       LYS  43  -4.437   5.320  12.185
  359   2HZ   LYS  43          2HZ       LYS  43  -5.178   4.074  11.315
  360   3HZ   LYS  43          3HZ       LYS  43  -6.006   5.523  11.586
  361    H    GLY  44           H        GLY  44  -6.158   9.991   7.131
  362   1HA   GLY  44          2HA       GLY  44  -8.509   9.608   5.387
  363   2HA   GLY  44          1HA       GLY  44  -8.386  10.990   6.464
  364    H    LEU  45           H        LEU  45  -5.707  11.665   6.103
  365    HA   LEU  45           HA       LEU  45  -4.420  13.012   4.798
  366   1HB   LEU  45          2HB       LEU  45  -5.092  11.602   2.292
  367   2HB   LEU  45          1HB       LEU  45  -3.524  11.994   2.980
  368    HG   LEU  45           HG       LEU  45  -5.255   9.762   4.032
  369   1HD1  LEU  45          1HD1      LEU  45  -3.876   8.234   2.748
  370   2HD1  LEU  45          2HD1      LEU  45  -3.003   9.591   2.036
  371   3HD1  LEU  45          3HD1      LEU  45  -4.713   9.355   1.675
  372   1HD2  LEU  45          1HD2      LEU  45  -3.114  10.991   5.170
  373   2HD2  LEU  45          2HD2      LEU  45  -2.334   9.682   4.281
  374   3HD2  LEU  45          3HD2      LEU  45  -3.588   9.318   5.466
  375    H    LYS  46           H        LYS  46  -4.509  14.153   2.388
  376    HA   LYS  46           HA       LYS  46  -7.156  14.923   1.626
  377   1HB   LYS  46          2HB       LYS  46  -7.409  16.867   2.703
  378   2HB   LYS  46          1HB       LYS  46  -6.174  16.267   3.790
  379   1HG   LYS  46          2HG       LYS  46  -4.896  17.499   1.567
  380   2HG   LYS  46          1HG       LYS  46  -6.134  18.591   2.186
  381   1HD   LYS  46          2HD       LYS  46  -5.065  17.845   4.506
  382   2HD   LYS  46          1HD       LYS  46  -3.656  17.588   3.476
  383   1HE   LYS  46          2HE       LYS  46  -4.705  20.058   2.700
  384   2HE   LYS  46          1HE       LYS  46  -4.788  20.049   4.461
  385   1HZ   LYS  46          1HZ       LYS  46  -2.420  19.830   2.720
  386   2HZ   LYS  46          2HZ       LYS  46  -2.375  19.220   4.298
  387   3HZ   LYS  46          3HZ       LYS  46  -2.685  20.862   4.035
  388    HA   PRO  47           HA       PRO  47  -5.167  15.597  -2.255
  389   1HB   PRO  47          2HB       PRO  47  -7.160  17.760  -2.657
  390   2HB   PRO  47          1HB       PRO  47  -6.822  16.343  -3.654
  391   1HG   PRO  47          2HG       PRO  47  -9.020  16.466  -2.147
  392   2HG   PRO  47          1HG       PRO  47  -8.128  14.945  -2.347
  393   1HD   PRO  47          2HD       PRO  47  -8.167  16.833  -0.028
  394   2HD   PRO  47          1HD       PRO  47  -8.114  15.058  -0.038
  395    H    GLY  48           H        GLY  48  -3.599  16.912  -3.082
  396   1HA   GLY  48          2HA       GLY  48  -2.914  19.301  -3.425
  397   2HA   GLY  48          1HA       GLY  48  -3.194  19.494  -1.701
  398    H    VAL  49           H        VAL  49  -2.061  16.842  -1.098
  399    HA   VAL  49           HA       VAL  49   0.759  17.631  -1.166
  400    HB   VAL  49           HB       VAL  49  -0.291  15.264   0.325
  401   1HG1  VAL  49          1HG1      VAL  49   1.614  16.768   1.778
  402   2HG1  VAL  49          2HG1      VAL  49   2.201  16.596   0.124
  403   3HG1  VAL  49          3HG1      VAL  49   1.792  15.158   1.068
  404   1HG2  VAL  49          1HG2      VAL  49  -1.507  16.420   1.757
  405   2HG2  VAL  49          2HG2      VAL  49  -1.316  17.834   0.714
  406   3HG2  VAL  49          3HG2      VAL  49  -0.183  17.556   2.037
  407    H    VAL  50           H        VAL  50   2.307  16.487  -2.222
  408    HA   VAL  50           HA       VAL  50   1.420  14.282  -3.916
  409    HB   VAL  50           HB       VAL  50   4.087  15.706  -3.813
  410   1HG1  VAL  50          1HG1      VAL  50   4.774  14.451  -5.675
  411   2HG1  VAL  50          2HG1      VAL  50   3.146  13.850  -5.982
  412   3HG1  VAL  50          3HG1      VAL  50   4.051  13.267  -4.585
  413   1HG2  VAL  50          1HG2      VAL  50   3.194  17.248  -5.142
  414   2HG2  VAL  50          2HG2      VAL  50   1.620  16.481  -4.937
  415   3HG2  VAL  50          3HG2      VAL  50   2.664  16.005  -6.276
  416    H    TYR  51           H        TYR  51   1.599  12.265  -3.222
  417    HA   TYR  51           HA       TYR  51   3.549  11.671  -1.117
  418   1HB   TYR  51          2HB       TYR  51   0.806  10.882  -1.580
  419   2HB   TYR  51          1HB       TYR  51   1.833   9.467  -1.439
  420    HD1  TYR  51           1HD      TYR  51   3.433  11.794   0.589
  421    HD2  TYR  51           2HD      TYR  51  -0.134   9.468   0.439
  422    HE1  TYR  51           1HE      TYR  51   3.231  11.953   3.018
  423    HE2  TYR  51           2HE      TYR  51  -0.336   9.624   2.883
  424    HH   TYR  51           HH       TYR  51   0.427  11.125   4.700
  425    H    GLU  52           H        GLU  52   4.439   9.479  -1.109
  426    HA   GLU  52           HA       GLU  52   4.958   8.458  -3.823
  427   1HB   GLU  52          2HB       GLU  52   6.926   9.662  -2.832
  428   2HB   GLU  52          1HB       GLU  52   6.922   8.496  -1.517
  429   1HG   GLU  52          2HG       GLU  52   8.573   7.751  -2.989
  430   2HG   GLU  52          1HG       GLU  52   7.185   6.709  -3.297
  431    H    GLY  53           H        GLY  53   4.488   6.327  -4.055
  432   1HA   GLY  53          2HA       GLY  53   3.950   4.829  -1.566
  433   2HA   GLY  53          1HA       GLY  53   3.054   4.605  -3.057
  434    H    GLN  54           H        GLN  54   4.954   2.974  -1.181
  435    HA   GLN  54           HA       GLN  54   6.263   1.600  -3.415
  436   1HB   GLN  54          2HB       GLN  54   7.518   2.483  -0.825
  437   2HB   GLN  54          1HB       GLN  54   8.148   1.100  -1.709
  438   1HG   GLN  54          2HG       GLN  54   7.747   3.613  -3.222
  439   2HG   GLN  54          1HG       GLN  54   9.067   3.564  -2.054
  440   1HE2  GLN  54          1HE2      GLN  54   9.457   3.867  -4.794
  441   2HE2  GLN  54          2HE2      GLN  54  10.269   2.467  -5.399
  442    H    LEU  55           H        LEU  55   5.304  -0.326  -3.499
  443    HA   LEU  55           HA       LEU  55   4.482  -1.570  -0.971
  444   1HB   LEU  55          2HB       LEU  55   3.450  -1.704  -3.768
  445   2HB   LEU  55          1HB       LEU  55   3.234  -3.102  -2.734
  446    HG   LEU  55           HG       LEU  55   2.305  -0.345  -1.945
  447   1HD1  LEU  55          1HD1      LEU  55   0.015  -1.424  -2.549
  448   2HD1  LEU  55          2HD1      LEU  55   0.985  -2.431  -3.624
  449   3HD1  LEU  55          3HD1      LEU  55   0.995  -0.677  -3.811
  450   1HD2  LEU  55          1HD2      LEU  55   2.511  -1.813  -0.072
  451   2HD2  LEU  55          2HD2      LEU  55   1.713  -3.124  -0.941
  452   3HD2  LEU  55          3HD2      LEU  55   0.798  -1.693  -0.472
  453    H    ILE  56           H        ILE  56   6.079  -2.808  -0.239
  454    HA   ILE  56           HA       ILE  56   7.380  -4.656  -2.128
  455    HB   ILE  56           HB       ILE  56   8.525  -3.511   0.422
  456   1HG1  ILE  56          2HG1      ILE  56  10.230  -2.658  -1.407
  457   2HG1  ILE  56          1HG1      ILE  56   8.844  -2.841  -2.479
  458   1HG2  ILE  56          1HG2      ILE  56   9.332  -5.750   0.100
  459   2HG2  ILE  56          2HG2      ILE  56  10.619  -4.623  -0.327
  460   3HG2  ILE  56          3HG2      ILE  56   9.691  -5.424  -1.596
  461   1HD1  ILE  56          1HD1      ILE  56   8.265  -1.403   0.000
  462   2HD1  ILE  56          2HD1      ILE  56   7.833  -1.024  -1.668
  463   3HD1  ILE  56          3HD1      ILE  56   9.434  -0.610  -1.055
  464    H    SER  57           H        SER  57   6.666  -6.652  -1.876
  465    HA   SER  57           HA       SER  57   5.550  -7.534   0.655
  466   1HB   SER  57          2HB       SER  57   4.629  -7.981  -1.761
  467   2HB   SER  57          1HB       SER  57   5.808  -9.291  -1.758
  468    HG   SER  57           HG       SER  57   3.978 -10.167  -0.940
  469    H    ILE  58           H        ILE  58   6.833  -8.412   2.129
  470    HA   ILE  58           HA       ILE  58   9.316  -9.703   1.258
  471    HB   ILE  58           HB       ILE  58   8.494  -8.617   3.950
  472   1HG1  ILE  58          2HG1      ILE  58  10.987  -7.740   2.658
  473   2HG1  ILE  58          1HG1      ILE  58   9.527  -7.319   1.768
  474   1HG2  ILE  58          1HG2      ILE  58  10.306 -10.722   3.401
  475   2HG2  ILE  58          2HG2      ILE  58  10.000  -9.914   4.939
  476   3HG2  ILE  58          3HG2      ILE  58  11.253  -9.305   3.858
  477   1HD1  ILE  58          1HD1      ILE  58  10.447  -5.635   3.450
  478   2HD1  ILE  58          2HD1      ILE  58   9.802  -6.714   4.687
  479   3HD1  ILE  58          3HD1      ILE  58   8.720  -5.988   3.499
  480    H    GLN  59           H        GLN  59   9.439 -11.816   1.221
  481    HA   GLN  59           HA       GLN  59   7.385 -13.471   2.372
  482   1HB   GLN  59          2HB       GLN  59   9.429 -13.745   0.362
  483   2HB   GLN  59          1HB       GLN  59   9.532 -15.084   1.498
  484   1HG   GLN  59          2HG       GLN  59   6.975 -14.265   0.147
  485   2HG   GLN  59          1HG       GLN  59   8.087 -15.460  -0.519
  486   1HE2  GLN  59          1HE2      GLN  59   5.889 -14.731   2.093
  487   2HE2  GLN  59          2HE2      GLN  59   5.681 -16.359   2.635
  488    H    GLN  60           H        GLN  60   8.493 -15.661   3.351
  489    HA   GLN  60           HA       GLN  60   9.369 -14.867   5.926
  490   1HB   GLN  60          2HB       GLN  60   8.384 -17.224   4.704
  491   2HB   GLN  60          1HB       GLN  60   9.914 -17.638   5.467
  492   1HG   GLN  60          2HG       GLN  60   9.054 -16.573   7.561
  493   2HG   GLN  60          1HG       GLN  60   7.487 -16.432   6.766
  494   1HE2  GLN  60          1HE2      GLN  60   6.168 -17.914   7.514
  495   2HE2  GLN  60          2HE2      GLN  60   6.557 -19.568   7.825
  496    H    TYR  61           H        TYR  61  11.064 -15.937   3.048
  497    HA   TYR  61           HA       TYR  61  13.575 -16.020   4.567
  498   1HB   TYR  61          2HB       TYR  61  14.444 -16.942   2.293
  499   2HB   TYR  61          1HB       TYR  61  13.488 -17.983   3.343
  500    HD1  TYR  61           1HD      TYR  61  11.302 -18.727   2.691
  501    HD2  TYR  61           2HD      TYR  61  13.468 -16.006   0.242
  502    HE1  TYR  61           1HE      TYR  61   9.720 -19.132   0.853
  503    HE2  TYR  61           2HE      TYR  61  11.891 -16.401  -1.602
  504    HH   TYR  61           HH       TYR  61   9.044 -18.455  -1.177
  505    H    GLY  62           H        GLY  62  11.855 -13.759   2.962
  506   1HA   GLY  62          2HA       GLY  62  13.446 -11.678   2.932
  507   2HA   GLY  62          1HA       GLY  62  14.164 -12.566   1.599
  508    H    HIS  63           H        HIS  63  13.293 -10.088   1.092
  509    HA   HIS  63           HA       HIS  63  10.574 -10.012   0.189
  510   1HB   HIS  63          2HB       HIS  63  11.406  -7.863  -0.952
  511   2HB   HIS  63          1HB       HIS  63  11.443  -7.920   0.807
  512    HD2  HIS  63           2HD      HIS  63  14.077  -8.645  -2.058
  513    HE1  HIS  63           1HE      HIS  63  15.950  -6.770   1.241
  514    HE2  HIS  63           2HE      HIS  63  16.245  -7.544  -1.155
  515    H    GLN  64           H        GLN  64   9.890  -9.717  -2.019
  516    HA   GLN  64           HA       GLN  64  11.710 -10.475  -4.138
  517   1HB   GLN  64          2HB       GLN  64   9.502 -12.170  -4.585
  518   2HB   GLN  64          1HB       GLN  64  11.166 -12.631  -4.257
  519   1HG   GLN  64          2HG       GLN  64  10.011 -11.999  -1.774
  520   2HG   GLN  64          1HG       GLN  64   8.835 -12.982  -2.645
  521   1HE2  GLN  64          1HE2      GLN  64  11.974 -12.882  -1.189
  522   2HE2  GLN  64          2HE2      GLN  64  12.289 -14.579  -1.254
  523    H    GLU  65           H        GLU  65   8.615  -9.346  -3.034
  524    HA   GLU  65           HA       GLU  65   7.912  -8.509  -5.767
  525   1HB   GLU  65          2HB       GLU  65   6.383  -9.712  -3.751
  526   2HB   GLU  65          1HB       GLU  65   5.851  -8.038  -3.789
  527   1HG   GLU  65          2HG       GLU  65   6.107  -9.228  -6.437
  528   2HG   GLU  65          1HG       GLU  65   4.935 -10.043  -5.403
  529    H    VAL  66           H        VAL  66   8.310  -6.453  -6.277
  530    HA   VAL  66           HA       VAL  66   7.955  -4.402  -4.210
  531    HB   VAL  66           HB       VAL  66  10.228  -4.391  -4.094
  532   1HG1  VAL  66          1HG1      VAL  66  10.290  -6.241  -5.872
  533   2HG1  VAL  66          2HG1      VAL  66  11.727  -5.240  -5.649
  534   3HG1  VAL  66          3HG1      VAL  66  10.643  -4.936  -7.007
  535   1HG2  VAL  66          1HG2      VAL  66  11.117  -2.536  -5.271
  536   2HG2  VAL  66          2HG2      VAL  66   9.400  -2.204  -5.040
  537   3HG2  VAL  66          3HG2      VAL  66   9.988  -2.755  -6.609
  538    H    THR  67           H        THR  67   6.869  -2.634  -4.884
  539    HA   THR  67           HA       THR  67   6.656  -2.102  -7.763
  540    HB   THR  67           HB       THR  67   4.189  -1.816  -6.100
  541    HG1  THR  67           1HG      THR  67   5.336  -4.226  -7.005
  542   1HG2  THR  67          1HG2      THR  67   4.853  -1.363  -8.757
  543   2HG2  THR  67          2HG2      THR  67   3.227  -1.437  -8.081
  544   3HG2  THR  67          3HG2      THR  67   3.953  -2.879  -8.789
  545    H    ARG  68           H        ARG  68   6.788   0.011  -8.277
  546    HA   ARG  68           HA       ARG  68   6.697   1.952  -6.061
  547   1HB   ARG  68          2HB       ARG  68   8.068   2.556  -8.648
  548   2HB   ARG  68          1HB       ARG  68   8.409   3.167  -7.035
  549   1HG   ARG  68          2HG       ARG  68   9.466   1.132  -6.400
  550   2HG   ARG  68          1HG       ARG  68   8.919   0.323  -7.868
  551   1HD   ARG  68          2HD       ARG  68  10.758   0.971  -8.926
  552   2HD   ARG  68          1HD       ARG  68  10.349   2.658  -8.624
  553    HE   ARG  68           HE       ARG  68  11.837   2.686  -6.853
  554   1HH1  ARG  68          1HH1      ARG  68  11.466  -0.558  -8.072
  555   2HH1  ARG  68          2HH1      ARG  68  12.825  -1.180  -7.196
  556   1HH2  ARG  68          1HH2      ARG  68  13.626   1.873  -5.693
  557   2HH2  ARG  68          2HH2      ARG  68  14.052   0.202  -5.844
  558    H    PHE  69           H        PHE  69   5.240   3.542  -6.123
  559    HA   PHE  69           HA       PHE  69   4.172   4.546  -8.608
  560   1HB   PHE  69          2HB       PHE  69   1.817   4.071  -8.045
  561   2HB   PHE  69          1HB       PHE  69   2.747   2.600  -8.308
  562    HD1  PHE  69           1HD      PHE  69   0.714   4.468  -6.015
  563    HD2  PHE  69           2HD      PHE  69   3.514   1.278  -6.319
  564    HE1  PHE  69           1HE      PHE  69  -0.017   3.623  -3.823
  565    HE2  PHE  69           2HE      PHE  69   2.789   0.428  -4.128
  566    HZ   PHE  69           HZ       PHE  69   1.021   1.600  -2.877
  567    H    ASP  70           H        ASP  70   3.780   6.654  -8.428
  568    HA   ASP  70           HA       ASP  70   3.748   7.828  -5.748
  569   1HB   ASP  70          2HB       ASP  70   4.141   9.979  -6.899
  570   2HB   ASP  70          1HB       ASP  70   5.361   8.780  -7.326
  571    H    PHE  71           H        PHE  71   2.017   8.898  -4.929
  572    HA   PHE  71           HA       PHE  71  -0.262   9.434  -6.677
  573   1HB   PHE  71          2HB       PHE  71  -1.832   8.290  -5.245
  574   2HB   PHE  71          1HB       PHE  71  -0.564   7.159  -5.716
  575    HD1  PHE  71           1HD      PHE  71  -2.238   8.799  -2.985
  576    HD2  PHE  71           2HD      PHE  71   1.226   6.584  -4.076
  577    HE1  PHE  71           1HE      PHE  71  -1.833   8.274  -0.615
  578    HE2  PHE  71           2HE      PHE  71   1.639   6.055  -1.709
  579    HZ   PHE  71           HZ       PHE  71   0.108   6.899   0.025
  580    H    THR  72           H        THR  72  -1.875  10.848  -5.682
  581    HA   THR  72           HA       THR  72  -0.620  12.643  -3.717
  582    HB   THR  72           HB       THR  72  -1.686  14.473  -4.677
  583    HG1  THR  72           1HG      THR  72  -3.493  12.573  -5.761
  584   1HG2  THR  72          1HG2      THR  72  -1.258  14.360  -7.079
  585   2HG2  THR  72          2HG2      THR  72  -1.197  12.600  -6.995
  586   3HG2  THR  72          3HG2      THR  72   0.031  13.564  -6.177
  587    H    THR  73           H        THR  73  -2.215  13.954  -2.440
  588    HA   THR  73           HA       THR  73  -4.193  14.218  -1.234
  589    HB   THR  73           HB       THR  73  -4.777  11.284  -1.674
  590    HG1  THR  73           1HG      THR  73  -6.284  12.057  -3.218
  591   1HG2  THR  73          1HG2      THR  73  -6.582  11.544  -0.364
  592   2HG2  THR  73          2HG2      THR  73  -6.976  13.110  -1.074
  593   3HG2  THR  73          3HG2      THR  73  -5.787  13.004   0.225
  594    H    THR  74           H        THR  74  -2.726  14.635   0.412
  595    HA   THR  74           HA       THR  74  -2.583  12.533   2.432
  596    HB   THR  74           HB       THR  74  -0.381  12.293   2.442
  597    HG1  THR  74           1HG      THR  74  -0.379  15.115   2.478
  598   1HG2  THR  74          1HG2      THR  74  -0.801  13.813  -0.087
  599   2HG2  THR  74          2HG2      THR  74  -0.317  12.134   0.150
  600   3HG2  THR  74          3HG2      THR  74   0.845  13.433   0.422
  601    H    SER  75           H        SER  75  -1.558  13.562   4.538
  602    HA   SER  75           HA       SER  75  -1.972  16.358   4.921
  603   1HB   SER  75          2HB       SER  75  -4.288  15.976   4.926
  604   2HB   SER  75          1HB       SER  75  -4.125  14.439   5.774
  605    HG   SER  75           HG       SER  75  -3.182  16.658   7.127
  606    H    THR  76           H        THR  76  -2.406  13.406   6.872
  607    HA   THR  76           HA       THR  76  -1.424  12.665   8.776
  608    HB   THR  76           HB       THR  76   0.901  12.781   9.005
  609    HG1  THR  76           1HG      THR  76   2.141  14.492   8.294
  610   1HG2  THR  76          1HG2      THR  76   1.796  12.720   6.630
  611   2HG2  THR  76          2HG2      THR  76   0.160  13.125   6.109
  612   3HG2  THR  76          3HG2      THR  76   0.460  11.627   6.989
  613    H    SER  77           H        SER  77  -2.409  13.390  10.540
  614    HA   SER  77           HA       SER  77  -2.775  16.046  11.282
  615   1HB   SER  77          2HB       SER  77  -2.696  13.590  13.053
  616   2HB   SER  77          1HB       SER  77  -3.361  15.155  13.518
  617    HG   SER  77           HG       SER  77  -4.980  14.909  12.044
  618    H    THR  78           H        THR  78  -0.439  13.709  12.615
  619    HA   THR  78           HA       THR  78   1.454  13.989  13.858
  620    HB   THR  78           HB       THR  78   3.101  15.558  12.921
  621    HG1  THR  78           1HG      THR  78   2.436  16.855  11.122
  622   1HG2  THR  78          1HG2      THR  78   3.494  14.186  11.186
  623   2HG2  THR  78          2HG2      THR  78   1.946  14.556  10.425
  624   3HG2  THR  78          3HG2      THR  78   2.033  13.346  11.706
  625    HA   PRO  79           HA       PRO  79  -0.144  17.453  16.480
  626   1HB   PRO  79          2HB       PRO  79  -0.617  16.036  18.705
  627   2HB   PRO  79          1HB       PRO  79  -1.769  16.059  17.363
  628   1HG   PRO  79          2HG       PRO  79   0.253  13.975  18.091
  629   2HG   PRO  79          1HG       PRO  79  -1.426  13.767  17.560
  630   1HD   PRO  79          2HD       PRO  79   0.752  13.502  15.909
  631   2HD   PRO  79          1HD       PRO  79  -0.871  13.948  15.347
  632    H    GLY  80           H        GLY  80   2.457  15.266  16.546
  633   1HA   GLY  80          2HA       GLY  80   3.772  16.837  18.677
  634   2HA   GLY  80          1HA       GLY  80   4.070  15.123  18.427
  635    H    SER  81           H        SER  81   5.639  14.506  17.048
  636    HA   SER  81           HA       SER  81   6.594  16.206  14.945
  637   1HB   SER  81          2HB       SER  81   7.962  16.163  17.558
  638   2HB   SER  81          1HB       SER  81   9.015  15.901  16.166
  639    HG   SER  81           HG       SER  81   8.377  17.855  15.330
  640    H    ARG  82           H        ARG  82   6.463  13.261  16.652
  641    HA   ARG  82           HA       ARG  82   7.976  11.939  14.497
  642   1HB   ARG  82          2HB       ARG  82   8.256  11.717  17.409
  643   2HB   ARG  82          1HB       ARG  82   8.123  10.168  16.589
  644   1HG   ARG  82          2HG       ARG  82   9.981  10.847  15.101
  645   2HG   ARG  82          1HG       ARG  82  10.153  12.325  16.052
  646   1HD   ARG  82          2HD       ARG  82  11.759  10.839  16.915
  647   2HD   ARG  82          1HD       ARG  82  10.429  10.813  18.073
  648    HE   ARG  82           HE       ARG  82  11.058   8.690  16.136
  649   1HH1  ARG  82          1HH1      ARG  82   9.425   9.813  18.999
  650   2HH1  ARG  82          2HH1      ARG  82   8.901   8.234  19.478
  651   1HH2  ARG  82          1HH2      ARG  82  10.373   6.605  16.754
  652   2HH2  ARG  82          2HH2      ARG  82   9.440   6.408  18.201
  653    H    SER  83           H        SER  83   5.022  12.337  15.961
  654    HA   SER  83           HA       SER  83   3.020  11.263  15.850
  655   1HB   SER  83          2HB       SER  83   4.407  10.688  13.358
  656   2HB   SER  83          1HB       SER  83   3.268   9.411  13.782
  657    HG   SER  83           HG       SER  83   2.785  12.126  13.256
  658    H    HIS  84           H        HIS  84   2.491   8.573  14.959
  659    HA   HIS  84           HA       HIS  84   2.347   6.455  15.761
  660   1HB   HIS  84          2HB       HIS  84   5.191   7.138  16.407
  661   2HB   HIS  84          1HB       HIS  84   4.502   5.638  17.018
  662    HD2  HIS  84           2HD      HIS  84   5.027   7.342  13.497
  663    HE1  HIS  84           1HE      HIS  84   5.082   3.128  13.111
  664    HE2  HIS  84           2HE      HIS  84   5.531   5.331  11.939
  665    H    HIS  85           H        HIS  85   0.849   6.261  17.283
  666    HA   HIS  85           HA       HIS  85   1.450   7.244  19.990
  667   1HB   HIS  85          2HB       HIS  85  -1.319   6.505  19.135
  668   2HB   HIS  85          1HB       HIS  85  -0.796   7.709  20.308
  669    HD2  HIS  85           2HD      HIS  85  -0.074  10.198  19.246
  670    HE1  HIS  85           1HE      HIS  85  -1.580   9.339  15.384
  671    HE2  HIS  85           2HE      HIS  85  -0.868  11.178  16.977
  672    H    HIS  86           H        HIS  86   1.262   4.444  18.181
  673    HA   HIS  86           HA       HIS  86   0.450   2.802  20.478
  674   1HB   HIS  86          2HB       HIS  86   0.408   2.401  17.524
  675   2HB   HIS  86          1HB       HIS  86   0.619   0.982  18.542
  676    HD2  HIS  86           2HD      HIS  86  -2.168   2.416  16.820
  677    HE1  HIS  86           1HE      HIS  86  -3.782   1.473  20.616
  678    HE2  HIS  86           2HE      HIS  86  -4.318   2.239  18.259
  679    H    HIS  87           H        HIS  87   1.798   0.451  19.254
  680    HA   HIS  87           HA       HIS  87   3.737  -0.708  19.472
  681   1HB   HIS  87          2HB       HIS  87   4.404   1.630  18.089
  682   2HB   HIS  87          1HB       HIS  87   5.637   1.477  19.335
  683    HD2  HIS  87           2HD      HIS  87   4.226  -0.639  16.335
  684    HE1  HIS  87           1HE      HIS  87   8.164  -1.882  17.259
  685    HE2  HIS  87           2HE      HIS  87   6.270  -2.046  15.581
  686    H    HIS  88           H        HIS  88   6.130  -0.289  20.653
  687    HA   HIS  88           HA       HIS  88   5.417  -0.234  23.427
  688   1HB   HIS  88          2HB       HIS  88   7.611  -1.192  21.845
  689   2HB   HIS  88          1HB       HIS  88   8.237  -0.206  23.162
  690    HD2  HIS  88           2HD      HIS  88   5.592  -3.144  22.954
  691    HE1  HIS  88           1HE      HIS  88   8.012  -3.568  26.400
  692    HE2  HIS  88           2HE      HIS  88   5.994  -4.461  25.153
  693    H    HIS  89           H        HIS  89   7.047   1.934  21.201
  694    HA   HIS  89           HA       HIS  89   6.654   4.150  22.982
  695   1HB   HIS  89          2HB       HIS  89   9.150   2.761  23.073
  696   2HB   HIS  89          1HB       HIS  89   9.420   4.346  22.356
  697    HD2  HIS  89           2HD      HIS  89  10.667   5.391  24.566
  698    HE1  HIS  89           1HE      HIS  89   7.338   4.986  27.148
  699    HE2  HIS  89           2HE      HIS  89   9.730   5.805  26.949
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1 -20.022 -31.500  17.469
    2   2H    MET   1          2HT       MET   1 -18.483 -31.475  16.771
    3   3H    MET   1          3HT       MET   1 -19.857 -31.538  15.785
    4    HA   MET   1           HA       MET   1 -20.492 -29.354  16.318
    5   1HB   MET   1          2HB       MET   1 -19.104 -29.969  18.707
    6   2HB   MET   1          1HB       MET   1 -18.325 -28.550  18.023
    7   1HG   MET   1          2HG       MET   1 -21.202 -28.328  17.925
    8   2HG   MET   1          1HG       MET   1 -20.625 -28.616  19.566
    9   1HE   MET   1          1HE       MET   1 -19.776 -26.274  16.355
   10   2HE   MET   1          2HE       MET   1 -20.386 -24.819  17.140
   11   3HE   MET   1          3HE       MET   1 -21.435 -26.224  16.950
   12    H    ARG   2           H        ARG   2 -17.035 -29.237  17.026
   13    HA   ARG   2           HA       ARG   2 -16.610 -27.872  14.475
   14   1HB   ARG   2          2HB       ARG   2 -15.559 -27.568  17.112
   15   2HB   ARG   2          1HB       ARG   2 -14.229 -27.955  16.029
   16   1HG   ARG   2          2HG       ARG   2 -15.740 -26.047  14.670
   17   2HG   ARG   2          1HG       ARG   2 -15.683 -25.492  16.345
   18   1HD   ARG   2          2HD       ARG   2 -13.764 -24.552  15.492
   19   2HD   ARG   2          1HD       ARG   2 -13.145 -26.067  16.147
   20    HE   ARG   2           HE       ARG   2 -12.618 -26.717  14.021
   21   1HH1  ARG   2          1HH1      ARG   2 -14.911 -24.098  13.855
   22   2HH1  ARG   2          2HH1      ARG   2 -14.793 -23.932  12.135
   23   1HH2  ARG   2          1HH2      ARG   2 -12.455 -26.505  11.756
   24   2HH2  ARG   2          2HH2      ARG   2 -13.397 -25.301  10.942
   25    H    GLY   3           H        GLY   3 -15.066 -28.515  12.976
   26   1HA   GLY   3          2HA       GLY   3 -13.627 -31.014  13.454
   27   2HA   GLY   3          1HA       GLY   3 -14.788 -31.000  12.135
   28    H    SER   4           H        SER   4 -11.690 -31.063  12.507
   29    HA   SER   4           HA       SER   4 -10.998 -28.854  10.714
   30   1HB   SER   4          2HB       SER   4  -9.671 -29.387  12.844
   31   2HB   SER   4          1HB       SER   4  -9.059 -30.791  11.971
   32    HG   SER   4           HG       SER   4  -7.633 -29.124  11.642
   33    H    ASN   5           H        ASN   5 -10.344 -29.146   8.649
   34    HA   ASN   5           HA       ASN   5 -10.370 -31.908   7.634
   35   1HB   ASN   5          2HB       ASN   5 -11.678 -29.522   6.738
   36   2HB   ASN   5          1HB       ASN   5 -10.568 -30.069   5.485
   37   1HD2  ASN   5          1HD2      ASN   5 -10.670 -32.519   5.131
   38   2HD2  ASN   5          2HD2      ASN   5 -12.258 -33.189   5.014
   39    H    ALA   6           H        ALA   6  -8.947 -28.770   6.685
   40    HA   ALA   6           HA       ALA   6  -6.320 -30.021   6.531
   41   1HB   ALA   6          1HB       ALA   6  -6.533 -30.376   4.330
   42   2HB   ALA   6          2HB       ALA   6  -6.307 -28.634   4.179
   43   3HB   ALA   6          3HB       ALA   6  -7.934 -29.314   4.199
   44    HA   PRO   7           HA       PRO   7  -5.873 -25.845   8.290
   45   1HB   PRO   7          2HB       PRO   7  -3.483 -26.343   9.486
   46   2HB   PRO   7          1HB       PRO   7  -5.033 -26.793  10.205
   47   1HG   PRO   7          2HG       PRO   7  -3.090 -28.483   8.680
   48   2HG   PRO   7          1HG       PRO   7  -3.995 -28.871  10.154
   49   1HD   PRO   7          2HD       PRO   7  -4.758 -29.745   7.710
   50   2HD   PRO   7          1HD       PRO   7  -5.924 -29.366   8.993
   51    H    GLN   8           H        GLN   8  -5.261 -24.300   6.927
   52    HA   GLN   8           HA       GLN   8  -2.719 -24.627   5.471
   53   1HB   GLN   8          2HB       GLN   8  -3.735 -23.092   3.755
   54   2HB   GLN   8          1HB       GLN   8  -4.489 -24.677   3.871
   55   1HG   GLN   8          2HG       GLN   8  -6.413 -23.843   4.827
   56   2HG   GLN   8          1HG       GLN   8  -5.611 -22.388   5.420
   57   1HE2  GLN   8          1HE2      GLN   8  -7.021 -20.946   4.522
   58   2HE2  GLN   8          2HE2      GLN   8  -7.174 -20.698   2.819
   59    HA   PRO   9           HA       PRO   9  -1.423 -20.920   7.521
   60   1HB   PRO   9          2HB       PRO   9   0.645 -20.201   5.963
   61   2HB   PRO   9          1HB       PRO   9   0.707 -21.645   6.982
   62   1HG   PRO   9          2HG       PRO   9   0.150 -21.421   4.048
   63   2HG   PRO   9          1HG       PRO   9   1.178 -22.584   4.906
   64   1HD   PRO   9          2HD       PRO   9  -1.364 -23.145   4.082
   65   2HD   PRO   9          1HD       PRO   9  -0.600 -23.913   5.488
   66    H    SER  10           H        SER  10  -0.284 -18.692   6.344
   67    HA   SER  10           HA       SER  10  -2.621 -17.493   5.057
   68   1HB   SER  10          2HB       SER  10  -0.610 -15.545   5.578
   69   2HB   SER  10          1HB       SER  10  -2.161 -15.755   6.391
   70    HG   SER  10           HG       SER  10  -1.148 -17.215   7.809
   71    H    HIS  11           H        HIS  11  -1.651 -15.424   3.667
   72    HA   HIS  11           HA       HIS  11  -0.628 -16.673   1.308
   73   1HB   HIS  11          2HB       HIS  11  -1.516 -13.924   2.064
   74   2HB   HIS  11          1HB       HIS  11  -0.523 -14.110   0.622
   75    HD2  HIS  11           2HD      HIS  11  -4.127 -14.173   1.590
   76    HE1  HIS  11           1HE      HIS  11  -3.834 -16.414  -1.988
   77    HE2  HIS  11           2HE      HIS  11  -5.396 -15.126  -0.462
   78    H    ILE  12           H        ILE  12   0.626 -13.565   2.314
   79    HA   ILE  12           HA       ILE  12   3.353 -14.612   2.022
   80    HB   ILE  12           HB       ILE  12   2.881 -12.746   0.569
   81   1HG1  ILE  12          2HG1      ILE  12   4.399 -11.053   2.308
   82   2HG1  ILE  12          1HG1      ILE  12   4.930 -12.717   2.545
   83   1HG2  ILE  12          1HG2      ILE  12   1.254 -11.870   2.657
   84   2HG2  ILE  12          2HG2      ILE  12   1.525 -11.075   1.106
   85   3HG2  ILE  12          3HG2      ILE  12   2.514 -10.646   2.501
   86   1HD1  ILE  12          1HD1      ILE  12   4.623 -11.740  -0.237
   87   2HD1  ILE  12          2HD1      ILE  12   5.774 -12.891   0.443
   88   3HD1  ILE  12          3HD1      ILE  12   5.995 -11.162   0.709
   89    H    SER  13           H        SER  13   4.946 -14.191   3.585
   90    HA   SER  13           HA       SER  13   4.327 -14.481   6.227
   91   1HB   SER  13          2HB       SER  13   6.693 -12.827   5.338
   92   2HB   SER  13          1HB       SER  13   6.572 -13.884   6.744
   93    HG   SER  13           HG       SER  13   6.052 -15.348   4.605
   94    H    LYS  14           H        LYS  14   4.953 -11.419   4.546
   95    HA   LYS  14           HA       LYS  14   2.990  -9.979   5.935
   96   1HB   LYS  14          2HB       LYS  14   4.501  -8.473   7.256
   97   2HB   LYS  14          1HB       LYS  14   4.368 -10.109   7.884
   98   1HG   LYS  14          2HG       LYS  14   6.518 -10.687   7.146
   99   2HG   LYS  14          1HG       LYS  14   6.621  -9.278   6.086
  100   1HD   LYS  14          2HD       LYS  14   6.156  -8.259   8.651
  101   2HD   LYS  14          1HD       LYS  14   7.352  -9.540   8.861
  102   1HE   LYS  14          2HE       LYS  14   8.731  -8.515   7.103
  103   2HE   LYS  14          1HE       LYS  14   7.544  -7.222   6.940
  104   1HZ   LYS  14          1HZ       LYS  14   8.468  -7.626   9.637
  105   2HZ   LYS  14          2HZ       LYS  14   8.313  -6.194   8.750
  106   3HZ   LYS  14          3HZ       LYS  14   9.692  -7.156   8.567
  107    H    TYR  15           H        TYR  15   2.678  -7.950   5.060
  108    HA   TYR  15           HA       TYR  15   4.494  -7.235   2.851
  109   1HB   TYR  15          2HB       TYR  15   1.830  -7.776   2.674
  110   2HB   TYR  15          1HB       TYR  15   1.796  -6.032   2.910
  111    HD1  TYR  15           1HD      TYR  15   1.665  -8.420   0.481
  112    HD2  TYR  15           2HD      TYR  15   3.804  -4.857   1.396
  113    HE1  TYR  15           1HE      TYR  15   2.141  -8.099  -1.910
  114    HE2  TYR  15           2HE      TYR  15   4.285  -4.523  -0.994
  115    HH   TYR  15           HH       TYR  15   4.387  -5.736  -3.038
  116    H    ILE  16           H        ILE  16   5.402  -5.223   2.826
  117    HA   ILE  16           HA       ILE  16   4.659  -3.443   5.048
  118    HB   ILE  16           HB       ILE  16   7.327  -3.840   3.707
  119   1HG1  ILE  16          2HG1      ILE  16   6.236  -4.319   6.478
  120   2HG1  ILE  16          1HG1      ILE  16   6.951  -5.490   5.377
  121   1HG2  ILE  16          1HG2      ILE  16   6.902  -1.442   4.070
  122   2HG2  ILE  16          2HG2      ILE  16   8.189  -2.052   5.110
  123   3HG2  ILE  16          3HG2      ILE  16   6.580  -1.767   5.773
  124   1HD1  ILE  16          1HD1      ILE  16   8.916  -5.178   6.327
  125   2HD1  ILE  16          2HD1      ILE  16   8.192  -4.007   7.430
  126   3HD1  ILE  16          3HD1      ILE  16   8.870  -3.469   5.894
  127    H    LEU  17           H        LEU  17   3.725  -1.618   4.503
  128    HA   LEU  17           HA       LEU  17   4.051  -0.606   1.764
  129   1HB   LEU  17          2HB       LEU  17   1.752  -1.084   2.385
  130   2HB   LEU  17          1HB       LEU  17   1.906  -0.112   3.833
  131    HG   LEU  17           HG       LEU  17   2.187   1.905   2.427
  132   1HD1  LEU  17          1HD1      LEU  17   2.871   0.255   0.424
  133   2HD1  LEU  17          2HD1      LEU  17   2.277   1.897   0.177
  134   3HD1  LEU  17          3HD1      LEU  17   1.175   0.528   0.028
  135   1HD2  LEU  17          1HD2      LEU  17  -0.308   1.030   1.305
  136   2HD2  LEU  17          2HD2      LEU  17  -0.008   2.174   2.614
  137   3HD2  LEU  17          3HD2      LEU  17  -0.143   0.451   2.963
  138    H    ARG  18           H        ARG  18   5.494   0.976   1.595
  139    HA   ARG  18           HA       ARG  18   5.733   2.891   3.814
  140   1HB   ARG  18          2HB       ARG  18   8.124   3.140   2.592
  141   2HB   ARG  18          1HB       ARG  18   7.833   2.041   3.934
  142   1HG   ARG  18          2HG       ARG  18   7.103   0.561   1.722
  143   2HG   ARG  18          1HG       ARG  18   8.512   1.469   1.173
  144   1HD   ARG  18          2HD       ARG  18   8.303  -0.432   3.494
  145   2HD   ARG  18          1HD       ARG  18   9.346  -0.545   2.077
  146    HE   ARG  18           HE       ARG  18   9.992   1.807   3.428
  147   1HH1  ARG  18          1HH1      ARG  18  10.147  -1.639   3.926
  148   2HH1  ARG  18          2HH1      ARG  18  11.535  -1.558   4.957
  149   1HH2  ARG  18          1HH2      ARG  18  11.820   1.923   4.787
  150   2HH2  ARG  18          2HH2      ARG  18  12.486   0.467   5.448
  151    H    TRP  19           H        TRP  19   5.349   4.980   3.334
  152    HA   TRP  19           HA       TRP  19   5.822   5.922   0.632
  153   1HB   TRP  19          2HB       TRP  19   3.592   6.854   0.369
  154   2HB   TRP  19          1HB       TRP  19   3.498   5.114   0.591
  155    HD1  TRP  19           HD       TRP  19   2.196   8.295   1.888
  156    HE1  TRP  19           1HE      TRP  19   0.742   7.921   3.980
  157    HE3  TRP  19           3HE      TRP  19   3.411   3.435   2.846
  158    HZ2  TRP  19           2HZ      TRP  19   0.182   5.834   5.791
  159    HZ3  TRP  19           3HZ      TRP  19   2.370   2.319   4.778
  160    HH2  TRP  19           HH       TRP  19   0.792   3.494   6.218
  161    H    ARG  20           H        ARG  20   5.715   8.235   0.460
  162    HA   ARG  20           HA       ARG  20   5.529   9.851   2.827
  163   1HB   ARG  20          2HB       ARG  20   7.756  10.434   3.153
  164   2HB   ARG  20          1HB       ARG  20   7.865   8.712   2.822
  165   1HG   ARG  20          2HG       ARG  20   9.034   9.023   0.938
  166   2HG   ARG  20          1HG       ARG  20   8.068  10.415   0.447
  167   1HD   ARG  20          2HD       ARG  20   9.497  11.885   1.364
  168   2HD   ARG  20          1HD       ARG  20   9.752  10.888   2.795
  169    HE   ARG  20           HE       ARG  20  11.039   9.707   0.589
  170   1HH1  ARG  20          1HH1      ARG  20  11.299  12.468   2.697
  171   2HH1  ARG  20          2HH1      ARG  20  13.021  12.582   2.547
  172   1HH2  ARG  20          1HH2      ARG  20  13.305   9.850   0.384
  173   2HH2  ARG  20          2HH2      ARG  20  14.161  11.095   1.232
  174    HA   PRO  21           HA       PRO  21   4.598  13.088  -0.022
  175   1HB   PRO  21          2HB       PRO  21   6.622  14.813   1.315
  176   2HB   PRO  21          1HB       PRO  21   4.901  15.108   1.031
  177   1HG   PRO  21          2HG       PRO  21   5.723  14.481   3.464
  178   2HG   PRO  21          1HG       PRO  21   4.246  13.742   2.810
  179   1HD   PRO  21          2HD       PRO  21   7.005  12.580   3.019
  180   2HD   PRO  21          1HD       PRO  21   5.440  11.843   3.423
  181    H    LYS  22           H        LYS  22   5.277  12.711  -2.023
  182    HA   LYS  22           HA       LYS  22   7.848  12.202  -2.896
  183   1HB   LYS  22          2HB       LYS  22   5.500  12.022  -4.062
  184   2HB   LYS  22          1HB       LYS  22   5.928  13.601  -4.704
  185   1HG   LYS  22          2HG       LYS  22   8.030  11.578  -4.953
  186   2HG   LYS  22          1HG       LYS  22   6.554  11.232  -5.858
  187   1HD   LYS  22          2HD       LYS  22   7.623  13.991  -6.022
  188   2HD   LYS  22          1HD       LYS  22   8.541  12.727  -6.842
  189   1HE   LYS  22          2HE       LYS  22   6.055  13.990  -7.600
  190   2HE   LYS  22          1HE       LYS  22   7.134  12.972  -8.551
  191   1HZ   LYS  22          1HZ       LYS  22   4.973  12.060  -6.733
  192   2HZ   LYS  22          2HZ       LYS  22   6.080  11.026  -7.482
  193   3HZ   LYS  22          3HZ       LYS  22   5.004  11.932  -8.420
  194    H    ASN  23           H        ASN  23   6.369  15.260  -2.170
  195    HA   ASN  23           HA       ASN  23   8.543  16.712  -3.497
  196   1HB   ASN  23          2HB       ASN  23   5.942  17.290  -3.540
  197   2HB   ASN  23          1HB       ASN  23   6.367  18.154  -2.067
  198   1HD2  ASN  23          1HD2      ASN  23   8.482  17.684  -4.824
  199   2HD2  ASN  23          2HD2      ASN  23   8.554  19.346  -5.290
  200    H    SER  24           H        SER  24   7.025  16.367  -0.308
  201    HA   SER  24           HA       SER  24   8.969  18.073   0.955
  202   1HB   SER  24          2HB       SER  24   6.427  17.321   1.611
  203   2HB   SER  24          1HB       SER  24   7.378  16.296   2.683
  204    HG   SER  24           HG       SER  24   8.168  18.944   2.530
  205    H    VAL  25           H        VAL  25   9.961  17.141   3.083
  206    HA   VAL  25           HA       VAL  25  11.077  14.468   2.602
  207    HB   VAL  25           HB       VAL  25  12.707  16.100   1.750
  208   1HG1  VAL  25          1HG1      VAL  25  12.804  18.082   2.762
  209   2HG1  VAL  25          2HG1      VAL  25  13.787  17.292   3.996
  210   3HG1  VAL  25          3HG1      VAL  25  12.046  17.458   4.226
  211   1HG2  VAL  25          1HG2      VAL  25  14.084  15.255   4.199
  212   2HG2  VAL  25          2HG2      VAL  25  14.441  14.891   2.510
  213   3HG2  VAL  25          3HG2      VAL  25  13.204  13.974   3.369
  214    H    GLY  26           H        GLY  26  11.646  13.316   4.449
  215   1HA   GLY  26          2HA       GLY  26  11.983  14.233   7.023
  216   2HA   GLY  26          1HA       GLY  26  10.247  14.046   6.833
  217    H    ARG  27           H        ARG  27   9.409  12.120   7.290
  218    HA   ARG  27           HA       ARG  27  11.176   9.767   7.188
  219   1HB   ARG  27          2HB       ARG  27   9.459  10.758   9.413
  220   2HB   ARG  27          1HB       ARG  27   9.581   9.021   9.179
  221   1HG   ARG  27          2HG       ARG  27  12.007  10.769   9.405
  222   2HG   ARG  27          1HG       ARG  27  11.195  10.093  10.818
  223   1HD   ARG  27          2HD       ARG  27  12.136   8.404   8.512
  224   2HD   ARG  27          1HD       ARG  27  13.157   8.775   9.901
  225    HE   ARG  27           HE       ARG  27  11.290   7.713  11.245
  226   1HH1  ARG  27          1HH1      ARG  27  12.004   6.810   7.954
  227   2HH1  ARG  27          2HH1      ARG  27  11.397   5.197   8.129
  228   1HH2  ARG  27          1HH2      ARG  27  10.489   5.588  11.482
  229   2HH2  ARG  27          2HH2      ARG  27  10.536   4.504  10.132
  230    H    TRP  28           H        TRP  28  10.211   7.798   6.646
  231    HA   TRP  28           HA       TRP  28   7.845   8.047   5.007
  232   1HB   TRP  28          2HB       TRP  28   9.655   5.697   5.597
  233   2HB   TRP  28          1HB       TRP  28   8.294   5.636   4.484
  234    HD1  TRP  28           HD       TRP  28  11.575   7.678   4.893
  235    HE1  TRP  28           1HE      TRP  28  12.485   8.183   2.539
  236    HE3  TRP  28           3HE      TRP  28   7.821   5.607   2.106
  237    HZ2  TRP  28           2HZ      TRP  28  11.715   7.760  -0.142
  238    HZ3  TRP  28           3HZ      TRP  28   7.984   5.701  -0.348
  239    HH2  TRP  28           HH       TRP  28   9.891   6.757  -1.447
  240    H    LYS  29           H        LYS  29   6.489   5.777   5.176
  241    HA   LYS  29           HA       LYS  29   5.745   5.355   7.983
  242   1HB   LYS  29          2HB       LYS  29   4.152   6.720   5.964
  243   2HB   LYS  29          1HB       LYS  29   3.319   5.312   6.606
  244   1HG   LYS  29          2HG       LYS  29   4.254   6.485   8.881
  245   2HG   LYS  29          1HG       LYS  29   3.915   7.884   7.860
  246   1HD   LYS  29          2HD       LYS  29   1.877   7.562   8.890
  247   2HD   LYS  29          1HD       LYS  29   1.665   6.642   7.399
  248   1HE   LYS  29          2HE       LYS  29   2.282   4.587   8.601
  249   2HE   LYS  29          1HE       LYS  29   2.442   5.520  10.089
  250   1HZ   LYS  29          1HZ       LYS  29   0.062   6.161   9.777
  251   2HZ   LYS  29          2HZ       LYS  29   0.313   4.522  10.109
  252   3HZ   LYS  29          3HZ       LYS  29  -0.030   5.021   8.530
  253    H    GLU  30           H        GLU  30   5.635   3.218   8.388
  254    HA   GLU  30           HA       GLU  30   5.164   1.431   6.093
  255   1HB   GLU  30          2HB       GLU  30   7.085   1.226   8.383
  256   2HB   GLU  30          1HB       GLU  30   6.524  -0.228   7.568
  257   1HG   GLU  30          2HG       GLU  30   7.906   0.092   5.868
  258   2HG   GLU  30          1HG       GLU  30   7.378   1.762   5.666
  259    H    ALA  31           H        ALA  31   3.710  -0.158   6.252
  260    HA   ALA  31           HA       ALA  31   2.522  -0.773   8.863
  261   1HB   ALA  31          1HB       ALA  31   0.384  -0.257   8.279
  262   2HB   ALA  31          2HB       ALA  31   0.654  -0.587   6.568
  263   3HB   ALA  31          3HB       ALA  31   1.220   0.927   7.274
  264    H    THR  32           H        THR  32   1.978  -2.913   9.124
  265    HA   THR  32           HA       THR  32   2.827  -4.692   6.975
  266    HB   THR  32           HB       THR  32   2.119  -5.357   9.836
  267    HG1  THR  32           1HG      THR  32   4.432  -4.494   8.588
  268   1HG2  THR  32          1HG2      THR  32   2.926  -7.546   9.425
  269   2HG2  THR  32          2HG2      THR  32   3.587  -7.091   7.854
  270   3HG2  THR  32          3HG2      THR  32   1.839  -7.187   8.082
  271    H    ILE  33           H        ILE  33   1.543  -5.960   5.837
  272    HA   ILE  33           HA       ILE  33  -1.220  -6.404   6.710
  273    HB   ILE  33           HB       ILE  33  -0.650  -5.895   3.809
  274   1HG1  ILE  33          2HG1      ILE  33  -1.894  -3.597   4.886
  275   2HG1  ILE  33          1HG1      ILE  33  -0.497  -3.929   5.905
  276   1HG2  ILE  33          1HG2      ILE  33  -3.116  -5.135   4.039
  277   2HG2  ILE  33          2HG2      ILE  33  -3.064  -6.003   5.574
  278   3HG2  ILE  33          3HG2      ILE  33  -2.740  -6.858   4.066
  279   1HD1  ILE  33          1HD1      ILE  33  -0.193  -2.388   3.890
  280   2HD1  ILE  33          2HD1      ILE  33  -0.262  -3.862   2.923
  281   3HD1  ILE  33          3HD1      ILE  33   0.997  -3.665   4.144
  282    HA   PRO  34           HA       PRO  34   0.492 -10.481   5.751
  283   1HB   PRO  34          2HB       PRO  34  -2.111 -11.374   6.801
  284   2HB   PRO  34          1HB       PRO  34  -0.484 -11.795   7.336
  285   1HG   PRO  34          2HG       PRO  34  -2.066 -10.205   8.801
  286   2HG   PRO  34          1HG       PRO  34  -0.314  -9.937   8.705
  287   1HD   PRO  34          2HD       PRO  34  -2.529  -8.505   7.282
  288   2HD   PRO  34          1HD       PRO  34  -1.064  -7.844   8.040
  289    H    GLY  35           H        GLY  35   0.234  -9.964   3.463
  290   1HA   GLY  35          2HA       GLY  35  -0.507 -10.656   1.391
  291   2HA   GLY  35          1HA       GLY  35  -1.660 -11.703   2.207
  292    H    HIS  36           H        HIS  36  -3.718 -10.933   2.699
  293    HA   HIS  36           HA       HIS  36  -4.537  -8.258   2.211
  294   1HB   HIS  36          2HB       HIS  36  -4.243  -9.693  -0.113
  295   2HB   HIS  36          1HB       HIS  36  -5.947  -9.938   0.259
  296    HD2  HIS  36           2HD      HIS  36  -7.288  -8.170  -1.223
  297    HE1  HIS  36           1HE      HIS  36  -4.732  -4.858  -0.587
  298    HE2  HIS  36           2HE      HIS  36  -6.780  -5.699  -1.824
  299    H    LEU  37           H        LEU  37  -5.555  -8.452   4.180
  300    HA   LEU  37           HA       LEU  37  -7.257 -10.598   4.878
  301   1HB   LEU  37          2HB       LEU  37  -8.174  -8.611   6.473
  302   2HB   LEU  37          1HB       LEU  37  -6.785  -9.610   6.831
  303    HG   LEU  37           HG       LEU  37  -6.504  -7.142   7.219
  304   1HD1  LEU  37          1HD1      LEU  37  -4.259  -7.213   6.755
  305   2HD1  LEU  37          2HD1      LEU  37  -4.490  -8.043   5.216
  306   3HD1  LEU  37          3HD1      LEU  37  -4.679  -8.926   6.731
  307   1HD2  LEU  37          1HD2      LEU  37  -5.749  -6.037   4.925
  308   2HD2  LEU  37          2HD2      LEU  37  -7.403  -5.929   5.527
  309   3HD2  LEU  37          3HD2      LEU  37  -6.988  -7.123   4.298
  310    H    ASN  38           H        ASN  38  -7.803  -7.551   3.248
  311    HA   ASN  38           HA       ASN  38 -10.131  -8.372   1.968
  312   1HB   ASN  38          2HB       ASN  38 -10.578  -7.282   4.655
  313   2HB   ASN  38          1HB       ASN  38 -11.504  -6.462   3.401
  314   1HD2  ASN  38          1HD2      ASN  38 -12.427  -8.152   1.750
  315   2HD2  ASN  38          2HD2      ASN  38 -13.289  -9.456   2.485
  316    H    SER  39           H        SER  39 -10.115  -5.184   3.436
  317    HA   SER  39           HA       SER  39  -9.050  -4.065   0.932
  318   1HB   SER  39          2HB       SER  39 -11.084  -2.450   2.349
  319   2HB   SER  39          1HB       SER  39 -10.840  -2.697   0.619
  320    HG   SER  39           HG       SER  39 -12.775  -3.665   1.341
  321    H    TYR  40           H        TYR  40  -7.255  -2.953   1.329
  322    HA   TYR  40           HA       TYR  40  -7.002  -1.598   3.933
  323   1HB   TYR  40          2HB       TYR  40  -5.361  -3.524   3.134
  324   2HB   TYR  40          1HB       TYR  40  -4.593  -2.190   2.276
  325    HD1  TYR  40           1HD      TYR  40  -4.701  -3.971   5.303
  326    HD2  TYR  40           2HD      TYR  40  -4.128  -0.050   3.753
  327    HE1  TYR  40           1HE      TYR  40  -3.531  -3.331   7.369
  328    HE2  TYR  40           2HE      TYR  40  -2.956   0.600   5.813
  329    HH   TYR  40           HH       TYR  40  -2.892  -0.151   8.212
  330    H    THR  41           H        THR  41  -7.650   0.437   3.556
  331    HA   THR  41           HA       THR  41  -6.332   1.897   1.360
  332    HB   THR  41           HB       THR  41  -8.505   3.445   1.910
  333    HG1  THR  41           1HG      THR  41 -10.076   1.369   1.685
  334   1HG2  THR  41          1HG2      THR  41  -8.595   3.171  -0.299
  335   2HG2  THR  41          2HG2      THR  41  -9.367   1.606  -0.050
  336   3HG2  THR  41          3HG2      THR  41  -7.612   1.711  -0.188
  337    H    ILE  42           H        ILE  42  -5.163   3.634   1.915
  338    HA   ILE  42           HA       ILE  42  -4.889   4.298   4.709
  339    HB   ILE  42           HB       ILE  42  -3.569   5.797   2.467
  340   1HG1  ILE  42          2HG1      ILE  42  -2.256   3.396   3.671
  341   2HG1  ILE  42          1HG1      ILE  42  -3.432   3.155   2.383
  342   1HG2  ILE  42          1HG2      ILE  42  -3.227   5.504   5.367
  343   2HG2  ILE  42          2HG2      ILE  42  -2.821   6.851   4.303
  344   3HG2  ILE  42          3HG2      ILE  42  -1.733   5.468   4.431
  345   1HD1  ILE  42          1HD1      ILE  42  -1.196   3.234   1.483
  346   2HD1  ILE  42          2HD1      ILE  42  -0.926   4.812   2.223
  347   3HD1  ILE  42          3HD1      ILE  42  -2.117   4.634   0.934
  348    H    LYS  43           H        LYS  43  -6.079   5.762   5.717
  349    HA   LYS  43           HA       LYS  43  -7.384   7.866   4.135
  350   1HB   LYS  43          2HB       LYS  43  -8.344   6.114   6.170
  351   2HB   LYS  43          1HB       LYS  43  -8.422   7.759   6.787
  352   1HG   LYS  43          2HG       LYS  43 -10.177   8.242   5.517
  353   2HG   LYS  43          1HG       LYS  43  -9.390   7.603   4.072
  354   1HD   LYS  43          2HD       LYS  43  -9.986   5.307   5.365
  355   2HD   LYS  43          1HD       LYS  43 -11.317   6.331   5.902
  356   1HE   LYS  43          2HE       LYS  43 -10.649   6.378   3.016
  357   2HE   LYS  43          1HE       LYS  43 -11.402   4.913   3.641
  358   1HZ   LYS  43          1HZ       LYS  43 -13.284   6.114   4.337
  359   2HZ   LYS  43          2HZ       LYS  43 -12.951   6.676   2.778
  360   3HZ   LYS  43          3HZ       LYS  43 -12.527   7.611   4.121
  361    H    GLY  44           H        GLY  44  -7.971   9.761   5.901
  362   1HA   GLY  44          2HA       GLY  44  -7.147  11.479   7.203
  363   2HA   GLY  44          1HA       GLY  44  -5.822  10.423   7.671
  364    H    LEU  45           H        LEU  45  -6.844  11.655   4.499
  365    HA   LEU  45           HA       LEU  45  -4.308  13.114   4.291
  366   1HB   LEU  45          2HB       LEU  45  -5.079  11.891   1.775
  367   2HB   LEU  45          1HB       LEU  45  -3.518  11.918   2.575
  368    HG   LEU  45           HG       LEU  45  -5.372  10.090   3.873
  369   1HD1  LEU  45          1HD1      LEU  45  -6.383   9.454   1.937
  370   2HD1  LEU  45          2HD1      LEU  45  -4.935   8.450   1.839
  371   3HD1  LEU  45          3HD1      LEU  45  -5.024   9.958   0.931
  372   1HD2  LEU  45          1HD2      LEU  45  -2.732   9.562   2.525
  373   2HD2  LEU  45          2HD2      LEU  45  -3.495   8.631   3.815
  374   3HD2  LEU  45          3HD2      LEU  45  -2.880  10.252   4.141
  375    H    LYS  46           H        LYS  46  -4.321  14.619   2.329
  376    HA   LYS  46           HA       LYS  46  -6.981  15.402   1.480
  377   1HB   LYS  46          2HB       LYS  46  -6.674  17.747   2.135
  378   2HB   LYS  46          1HB       LYS  46  -6.708  16.673   3.524
  379   1HG   LYS  46          2HG       LYS  46  -4.809  17.577   4.201
  380   2HG   LYS  46          1HG       LYS  46  -4.020  16.899   2.777
  381   1HD   LYS  46          2HD       LYS  46  -4.077  18.873   1.632
  382   2HD   LYS  46          1HD       LYS  46  -5.547  19.422   2.438
  383   1HE   LYS  46          2HE       LYS  46  -3.276  20.571   2.969
  384   2HE   LYS  46          1HE       LYS  46  -4.403  20.214   4.276
  385   1HZ   LYS  46          1HZ       LYS  46  -3.078  18.575   5.098
  386   2HZ   LYS  46          2HZ       LYS  46  -1.879  19.565   4.432
  387   3HZ   LYS  46          3HZ       LYS  46  -2.400  18.190   3.596
  388    HA   PRO  47           HA       PRO  47  -4.776  15.652  -2.403
  389   1HB   PRO  47          2HB       PRO  47  -7.167  17.369  -2.940
  390   2HB   PRO  47          1HB       PRO  47  -6.450  16.097  -3.936
  391   1HG   PRO  47          2HG       PRO  47  -8.657  15.630  -2.523
  392   2HG   PRO  47          1HG       PRO  47  -7.397  14.393  -2.680
  393   1HD   PRO  47          2HD       PRO  47  -8.095  16.102  -0.350
  394   2HD   PRO  47          1HD       PRO  47  -7.415  14.463  -0.389
  395    H    GLY  48           H        GLY  48  -3.022  16.907  -2.109
  396   1HA   GLY  48          2HA       GLY  48  -2.983  19.563  -2.971
  397   2HA   GLY  48          1HA       GLY  48  -3.016  19.582  -1.212
  398    H    VAL  49           H        VAL  49  -1.560  17.107  -0.941
  399    HA   VAL  49           HA       VAL  49   1.130  18.053  -1.675
  400    HB   VAL  49           HB       VAL  49   1.334  17.995   0.588
  401   1HG1  VAL  49          1HG1      VAL  49  -0.066  16.860   2.120
  402   2HG1  VAL  49          2HG1      VAL  49  -0.627  15.730   0.888
  403   3HG1  VAL  49          3HG1      VAL  49  -1.107  17.425   0.814
  404   1HG2  VAL  49          1HG2      VAL  49   2.126  15.448  -0.537
  405   2HG2  VAL  49          2HG2      VAL  49   1.699  15.279   1.166
  406   3HG2  VAL  49          3HG2      VAL  49   2.932  16.440   0.676
  407    H    VAL  50           H        VAL  50   2.446  16.706  -2.834
  408    HA   VAL  50           HA       VAL  50   1.212  14.438  -4.082
  409    HB   VAL  50           HB       VAL  50   2.732  15.892  -5.346
  410   1HG1  VAL  50          1HG1      VAL  50   5.203  15.604  -4.957
  411   2HG1  VAL  50          2HG1      VAL  50   4.790  14.860  -3.412
  412   3HG1  VAL  50          3HG1      VAL  50   4.340  16.535  -3.734
  413   1HG2  VAL  50          1HG2      VAL  50   2.435  13.700  -6.216
  414   2HG2  VAL  50          2HG2      VAL  50   3.568  13.014  -5.052
  415   3HG2  VAL  50          3HG2      VAL  50   4.155  14.072  -6.335
  416    H    TYR  51           H        TYR  51   1.629  12.297  -3.803
  417    HA   TYR  51           HA       TYR  51   3.411  11.569  -1.581
  418   1HB   TYR  51          2HB       TYR  51   0.584  11.214  -1.820
  419   2HB   TYR  51          1HB       TYR  51   1.341   9.632  -1.859
  420    HD1  TYR  51           1HD      TYR  51  -0.356   9.717   0.196
  421    HD2  TYR  51           2HD      TYR  51   3.449  11.617   0.123
  422    HE1  TYR  51           1HE      TYR  51  -0.302   9.708   2.654
  423    HE2  TYR  51           2HE      TYR  51   3.509  11.616   2.563
  424    HH   TYR  51           HH       TYR  51   1.662  11.564   4.456
  425    H    GLU  52           H        GLU  52   4.608   9.739  -1.757
  426    HA   GLU  52           HA       GLU  52   4.421   8.301  -4.325
  427   1HB   GLU  52          2HB       GLU  52   6.829   7.853  -4.170
  428   2HB   GLU  52          1HB       GLU  52   6.511   9.580  -4.200
  429   1HG   GLU  52          2HG       GLU  52   6.769   9.619  -1.739
  430   2HG   GLU  52          1HG       GLU  52   7.216   7.914  -1.797
  431    H    GLY  53           H        GLY  53   4.025   6.170  -4.175
  432   1HA   GLY  53          2HA       GLY  53   4.086   5.015  -1.464
  433   2HA   GLY  53          1HA       GLY  53   2.958   4.543  -2.721
  434    H    GLN  54           H        GLN  54   4.980   3.109  -1.030
  435    HA   GLN  54           HA       GLN  54   6.203   1.601  -3.239
  436   1HB   GLN  54          2HB       GLN  54   7.538   2.591  -0.729
  437   2HB   GLN  54          1HB       GLN  54   8.150   1.190  -1.597
  438   1HG   GLN  54          2HG       GLN  54   7.693   3.417  -3.375
  439   2HG   GLN  54          1HG       GLN  54   8.777   3.849  -2.054
  440   1HE2  GLN  54          1HE2      GLN  54  10.591   3.989  -3.324
  441   2HE2  GLN  54          2HE2      GLN  54  11.343   2.613  -4.048
  442    H    LEU  55           H        LEU  55   5.317  -0.367  -3.197
  443    HA   LEU  55           HA       LEU  55   4.561  -1.506  -0.594
  444   1HB   LEU  55          2HB       LEU  55   3.336  -1.525  -3.235
  445   2HB   LEU  55          1HB       LEU  55   3.491  -3.139  -2.571
  446    HG   LEU  55           HG       LEU  55   1.953  -0.813  -1.437
  447   1HD1  LEU  55          1HD1      LEU  55   0.805  -2.126  -3.118
  448   2HD1  LEU  55          2HD1      LEU  55   0.096  -2.416  -1.529
  449   3HD1  LEU  55          3HD1      LEU  55   1.178  -3.611  -2.242
  450   1HD2  LEU  55          1HD2      LEU  55   2.556  -1.551   0.594
  451   2HD2  LEU  55          2HD2      LEU  55   3.174  -3.077  -0.036
  452   3HD2  LEU  55          3HD2      LEU  55   1.447  -2.881   0.260
  453    H    ILE  56           H        ILE  56   6.156  -2.732   0.182
  454    HA   ILE  56           HA       ILE  56   7.546  -4.537  -1.683
  455    HB   ILE  56           HB       ILE  56   8.541  -3.491   0.970
  456   1HG1  ILE  56          2HG1      ILE  56  10.318  -2.525  -0.731
  457   2HG1  ILE  56          1HG1      ILE  56   8.990  -2.671  -1.877
  458   1HG2  ILE  56          1HG2      ILE  56  10.716  -4.507   0.086
  459   2HG2  ILE  56          2HG2      ILE  56   9.695  -5.398  -1.044
  460   3HG2  ILE  56          3HG2      ILE  56   9.488  -5.619   0.693
  461   1HD1  ILE  56          1HD1      ILE  56   8.228  -1.375   0.615
  462   2HD1  ILE  56          2HD1      ILE  56   7.949  -0.886  -1.056
  463   3HD1  ILE  56          3HD1      ILE  56   9.488  -0.520  -0.275
  464    H    SER  57           H        SER  57   7.116  -6.614  -1.484
  465    HA   SER  57           HA       SER  57   5.694  -7.598   0.848
  466   1HB   SER  57          2HB       SER  57   4.788  -9.098  -0.562
  467   2HB   SER  57          1HB       SER  57   5.542  -8.172  -1.859
  468    HG   SER  57           HG       SER  57   6.757 -10.336  -0.482
  469    H    ILE  58           H        ILE  58   6.557  -8.822   2.362
  470    HA   ILE  58           HA       ILE  58   9.360  -9.657   2.017
  471    HB   ILE  58           HB       ILE  58   7.880  -8.886   4.527
  472   1HG1  ILE  58          2HG1      ILE  58   8.850  -7.167   2.835
  473   2HG1  ILE  58          1HG1      ILE  58   9.185  -6.957   4.550
  474   1HG2  ILE  58          1HG2      ILE  58   9.966  -9.316   5.733
  475   2HG2  ILE  58          2HG2      ILE  58  10.693  -9.944   4.254
  476   3HG2  ILE  58          3HG2      ILE  58   9.332 -10.787   4.994
  477   1HD1  ILE  58          1HD1      ILE  58  11.085  -8.338   2.680
  478   2HD1  ILE  58          2HD1      ILE  58  11.402  -7.722   4.302
  479   3HD1  ILE  58          3HD1      ILE  58  11.114  -6.600   2.973
  480    H    GLN  59           H        GLN  59   9.749 -11.733   1.937
  481    HA   GLN  59           HA       GLN  59   7.837 -13.605   3.169
  482   1HB   GLN  59          2HB       GLN  59   8.299 -13.428   0.510
  483   2HB   GLN  59          1HB       GLN  59   9.543 -14.585   0.959
  484   1HG   GLN  59          2HG       GLN  59   7.892 -16.060   1.907
  485   2HG   GLN  59          1HG       GLN  59   6.620 -14.878   1.603
  486   1HE2  GLN  59          1HE2      GLN  59   5.447 -16.277   0.314
  487   2HE2  GLN  59          2HE2      GLN  59   5.956 -16.726  -1.274
  488    H    GLN  60           H        GLN  60   9.128 -15.910   3.144
  489    HA   GLN  60           HA       GLN  60  10.966 -15.703   5.249
  490   1HB   GLN  60          2HB       GLN  60  11.481 -18.177   4.075
  491   2HB   GLN  60          1HB       GLN  60  10.345 -17.845   5.373
  492   1HG   GLN  60          2HG       GLN  60   8.522 -17.840   3.957
  493   2HG   GLN  60          1HG       GLN  60   9.502 -17.513   2.529
  494   1HE2  GLN  60          1HE2      GLN  60   7.697 -19.444   2.307
  495   2HE2  GLN  60          2HE2      GLN  60   8.434 -21.006   2.315
  496    H    TYR  61           H        TYR  61  11.420 -15.463   1.840
  497    HA   TYR  61           HA       TYR  61  14.325 -15.785   2.139
  498   1HB   TYR  61          2HB       TYR  61  13.176 -15.330  -0.554
  499   2HB   TYR  61          1HB       TYR  61  14.459 -16.422  -0.044
  500    HD1  TYR  61           1HD      TYR  61  13.713 -18.520   1.301
  501    HD2  TYR  61           2HD      TYR  61  11.082 -16.173  -1.078
  502    HE1  TYR  61           1HE      TYR  61  12.150 -20.415   1.172
  503    HE2  TYR  61           2HE      TYR  61   9.512 -18.056  -1.212
  504    HH   TYR  61           HH       TYR  61   9.129 -20.265   0.506
  505    H    GLY  62           H        GLY  62  12.466 -13.394   2.788
  506   1HA   GLY  62          2HA       GLY  62  13.210 -11.157   3.026
  507   2HA   GLY  62          1HA       GLY  62  14.288 -11.398   1.658
  508    H    HIS  63           H        HIS  63  13.297  -9.216   1.146
  509    HA   HIS  63           HA       HIS  63  10.635  -8.878   0.412
  510   1HB   HIS  63          2HB       HIS  63  11.689  -7.174  -1.274
  511   2HB   HIS  63          1HB       HIS  63  11.780  -6.877   0.460
  512    HD2  HIS  63           2HD      HIS  63  14.150  -5.545   0.504
  513    HE1  HIS  63           1HE      HIS  63  16.436  -8.597  -1.332
  514    HE2  HIS  63           2HE      HIS  63  16.500  -6.274  -0.319
  515    H    GLN  64           H        GLN  64   9.584  -8.875  -1.640
  516    HA   GLN  64           HA       GLN  64  10.908 -10.314  -3.797
  517   1HB   GLN  64          2HB       GLN  64   8.177 -11.272  -3.125
  518   2HB   GLN  64          1HB       GLN  64   9.519 -12.132  -3.866
  519   1HG   GLN  64          2HG       GLN  64  10.105 -11.381  -1.133
  520   2HG   GLN  64          1HG       GLN  64   8.638 -12.358  -1.255
  521   1HE2  GLN  64          1HE2      GLN  64  10.661 -13.456   0.071
  522   2HE2  GLN  64          2HE2      GLN  64  11.419 -14.703  -0.854
  523    H    GLU  65           H        GLU  65   7.801  -8.912  -2.757
  524    HA   GLU  65           HA       GLU  65   7.284  -8.060  -5.508
  525   1HB   GLU  65          2HB       GLU  65   5.647  -9.187  -3.641
  526   2HB   GLU  65          1HB       GLU  65   5.273  -7.482  -3.438
  527   1HG   GLU  65          2HG       GLU  65   3.994  -7.505  -5.240
  528   2HG   GLU  65          1HG       GLU  65   5.331  -8.096  -6.227
  529    H    VAL  66           H        VAL  66   7.807  -6.063  -6.116
  530    HA   VAL  66           HA       VAL  66   7.530  -3.895  -4.155
  531    HB   VAL  66           HB       VAL  66   9.833  -4.100  -4.084
  532   1HG1  VAL  66          1HG1      VAL  66   9.716  -4.781  -7.009
  533   2HG1  VAL  66          2HG1      VAL  66  10.189  -5.821  -5.666
  534   3HG1  VAL  66          3HG1      VAL  66  11.223  -4.474  -6.146
  535   1HG2  VAL  66          1HG2      VAL  66   9.269  -1.816  -4.634
  536   2HG2  VAL  66          2HG2      VAL  66   9.292  -2.192  -6.357
  537   3HG2  VAL  66          3HG2      VAL  66  10.786  -2.255  -5.421
  538    H    THR  67           H        THR  67   6.179  -2.415  -4.889
  539    HA   THR  67           HA       THR  67   6.194  -1.736  -7.745
  540    HB   THR  67           HB       THR  67   3.661  -2.164  -6.149
  541    HG1  THR  67           1HG      THR  67   5.131  -3.807  -7.880
  542   1HG2  THR  67          1HG2      THR  67   4.195  -1.333  -8.993
  543   2HG2  THR  67          2HG2      THR  67   3.249  -0.488  -7.768
  544   3HG2  THR  67          3HG2      THR  67   2.642  -1.988  -8.471
  545    H    ARG  68           H        ARG  68   6.042   0.403  -8.161
  546    HA   ARG  68           HA       ARG  68   5.675   2.181  -5.844
  547   1HB   ARG  68          2HB       ARG  68   6.908   3.082  -8.420
  548   2HB   ARG  68          1HB       ARG  68   7.159   3.698  -6.794
  549   1HG   ARG  68          2HG       ARG  68   8.628   1.998  -6.236
  550   2HG   ARG  68          1HG       ARG  68   8.039   0.934  -7.516
  551   1HD   ARG  68          2HD       ARG  68  10.220   1.777  -8.112
  552   2HD   ARG  68          1HD       ARG  68   9.008   2.470  -9.189
  553    HE   ARG  68           HE       ARG  68  10.316   3.900  -6.969
  554   1HH1  ARG  68          1HH1      ARG  68   8.623   3.878 -10.017
  555   2HH1  ARG  68          2HH1      ARG  68   8.799   5.581 -10.272
  556   1HH2  ARG  68          1HH2      ARG  68  10.548   6.143  -7.299
  557   2HH2  ARG  68          2HH2      ARG  68   9.894   6.869  -8.728
  558    H    PHE  69           H        PHE  69   4.266   3.882  -5.921
  559    HA   PHE  69           HA       PHE  69   2.834   4.513  -8.365
  560   1HB   PHE  69          2HB       PHE  69   0.631   4.296  -6.961
  561   2HB   PHE  69          1HB       PHE  69   1.308   2.880  -7.761
  562    HD1  PHE  69           1HD      PHE  69   0.697   4.522  -4.556
  563    HD2  PHE  69           2HD      PHE  69   2.334   1.100  -6.484
  564    HE1  PHE  69           1HE      PHE  69   0.766   3.344  -2.397
  565    HE2  PHE  69           2HE      PHE  69   2.404  -0.085  -4.331
  566    HZ   PHE  69           HZ       PHE  69   1.620   1.036  -2.283
  567    H    ASP  70           H        ASP  70   2.559   6.640  -8.468
  568    HA   ASP  70           HA       ASP  70   2.864   8.189  -6.002
  569   1HB   ASP  70          2HB       ASP  70   2.713   9.876  -8.303
  570   2HB   ASP  70          1HB       ASP  70   4.089   9.588  -7.240
  571    H    PHE  71           H        PHE  71   1.191   9.100  -5.069
  572    HA   PHE  71           HA       PHE  71  -1.178   9.772  -6.665
  573   1HB   PHE  71          2HB       PHE  71  -2.598   8.919  -4.761
  574   2HB   PHE  71          1HB       PHE  71  -1.770   7.672  -5.695
  575    HD1  PHE  71           1HD      PHE  71   0.430   6.770  -4.743
  576    HD2  PHE  71           2HD      PHE  71  -2.381   9.001  -2.456
  577    HE1  PHE  71           1HE      PHE  71   1.398   5.858  -2.674
  578    HE2  PHE  71           2HE      PHE  71  -1.416   8.095  -0.383
  579    HZ   PHE  71           HZ       PHE  71   0.475   6.522  -0.489
  580    H    THR  72           H        THR  72  -2.558  11.392  -5.661
  581    HA   THR  72           HA       THR  72  -1.008  13.081  -3.817
  582    HB   THR  72           HB       THR  72  -2.102  15.003  -4.703
  583    HG1  THR  72           1HG      THR  72  -3.624  13.635  -6.588
  584   1HG2  THR  72          1HG2      THR  72  -0.554  14.835  -6.314
  585   2HG2  THR  72          2HG2      THR  72  -1.858  14.241  -7.344
  586   3HG2  THR  72          3HG2      THR  72  -0.814  13.100  -6.494
  587    H    THR  73           H        THR  73  -1.780  13.684  -1.942
  588    HA   THR  73           HA       THR  73  -4.358  14.094  -1.088
  589    HB   THR  73           HB       THR  73  -4.181  11.805   0.452
  590    HG1  THR  73           1HG      THR  73  -2.742  10.738  -0.838
  591   1HG2  THR  73          1HG2      THR  73  -6.325  12.015  -0.129
  592   2HG2  THR  73          2HG2      THR  73  -5.924  11.125  -1.597
  593   3HG2  THR  73          3HG2      THR  73  -5.913  12.890  -1.602
  594    H    THR  74           H        THR  74  -2.640  11.921   0.960
  595    HA   THR  74           HA       THR  74  -1.615  12.173   2.964
  596    HB   THR  74           HB       THR  74   0.477  12.542   2.408
  597    HG1  THR  74           1HG      THR  74   0.345  14.452   3.602
  598   1HG2  THR  74          1HG2      THR  74  -0.416  12.592   0.053
  599   2HG2  THR  74          2HG2      THR  74   1.133  13.402   0.291
  600   3HG2  THR  74          3HG2      THR  74  -0.348  14.353   0.149
  601    H    SER  75           H        SER  75  -1.651  13.148   4.898
  602    HA   SER  75           HA       SER  75  -1.902  15.894   5.394
  603   1HB   SER  75          2HB       SER  75  -4.211  15.302   4.383
  604   2HB   SER  75          1HB       SER  75  -4.513  14.495   5.921
  605    HG   SER  75           HG       SER  75  -4.670  16.374   6.883
  606    H    THR  76           H        THR  76  -3.264  15.968   7.759
  607    HA   THR  76           HA       THR  76  -1.848  13.968   9.398
  608    HB   THR  76           HB       THR  76  -1.540  15.588  11.125
  609    HG1  THR  76           1HG      THR  76  -3.438  17.018   9.656
  610   1HG2  THR  76          1HG2      THR  76   0.092  15.682   9.299
  611   2HG2  THR  76          2HG2      THR  76  -0.156  17.274  10.018
  612   3HG2  THR  76          3HG2      THR  76  -0.903  16.879   8.470
  613    H    SER  77           H        SER  77  -2.914  13.079  11.158
  614    HA   SER  77           HA       SER  77  -4.668  12.281  12.362
  615   1HB   SER  77          2HB       SER  77  -4.860  14.665  13.061
  616   2HB   SER  77          1HB       SER  77  -5.990  14.930  11.733
  617    HG   SER  77           HG       SER  77  -6.613  14.167  14.114
  618    H    THR  78           H        THR  78  -7.170  11.904  12.213
  619    HA   THR  78           HA       THR  78  -8.075  11.734   9.441
  620    HB   THR  78           HB       THR  78  -8.260   9.271  11.154
  621    HG1  THR  78           1HG      THR  78  -6.370   8.663   9.659
  622   1HG2  THR  78          1HG2      THR  78  -8.460   8.166   8.969
  623   2HG2  THR  78          2HG2      THR  78  -8.289   9.727   8.167
  624   3HG2  THR  78          3HG2      THR  78  -9.695   9.407   9.181
  625    HA   PRO  79           HA       PRO  79 -11.369  13.070  12.480
  626   1HB   PRO  79          2HB       PRO  79 -12.187  14.542  10.035
  627   2HB   PRO  79          1HB       PRO  79 -12.054  15.112  11.701
  628   1HG   PRO  79          2HG       PRO  79 -10.249  15.813   9.867
  629   2HG   PRO  79          1HG       PRO  79  -9.768  15.465  11.538
  630   1HD   PRO  79          2HD       PRO  79  -9.501  13.764   9.092
  631   2HD   PRO  79          1HD       PRO  79  -8.373  13.977  10.447
  632    H    GLY  80           H        GLY  80 -12.468  13.169   9.116
  633   1HA   GLY  80          2HA       GLY  80 -13.559  10.623   8.894
  634   2HA   GLY  80          1HA       GLY  80 -14.779  11.620   9.670
  635    H    SER  81           H        SER  81 -15.866  10.865   7.587
  636    HA   SER  81           HA       SER  81 -15.524  12.996   5.601
  637   1HB   SER  81          2HB       SER  81 -15.721  11.448   3.750
  638   2HB   SER  81          1HB       SER  81 -14.385  10.929   4.777
  639    HG   SER  81           HG       SER  81 -15.967   9.278   4.052
  640    H    ARG  82           H        ARG  82 -17.495  12.182   3.825
  641    HA   ARG  82           HA       ARG  82 -19.898  12.472   5.495
  642   1HB   ARG  82          2HB       ARG  82 -19.620  13.114   2.558
  643   2HB   ARG  82          1HB       ARG  82 -20.950  13.552   3.621
  644   1HG   ARG  82          2HG       ARG  82 -19.819  15.287   4.554
  645   2HG   ARG  82          1HG       ARG  82 -18.246  14.511   4.359
  646   1HD   ARG  82          2HD       ARG  82 -18.096  16.176   2.788
  647   2HD   ARG  82          1HD       ARG  82 -18.739  14.859   1.809
  648    HE   ARG  82           HE       ARG  82 -20.299  17.129   2.846
  649   1HH1  ARG  82          1HH1      ARG  82 -19.876  14.478   0.624
  650   2HH1  ARG  82          2HH1      ARG  82 -21.252  14.898  -0.340
  651   1HH2  ARG  82          1HH2      ARG  82 -22.111  17.690   1.581
  652   2HH2  ARG  82          2HH2      ARG  82 -22.521  16.724   0.203
  653    H    SER  83           H        SER  83 -21.687  11.187   5.183
  654    HA   SER  83           HA       SER  83 -22.806   9.251   4.770
  655   1HB   SER  83          2HB       SER  83 -21.556   9.302   2.024
  656   2HB   SER  83          1HB       SER  83 -23.143   8.687   2.490
  657    HG   SER  83           HG       SER  83 -23.446  11.033   3.174
  658    H    HIS  84           H        HIS  84 -20.420   8.855   6.096
  659    HA   HIS  84           HA       HIS  84 -19.699   6.183   5.135
  660   1HB   HIS  84          2HB       HIS  84 -17.981   8.348   4.896
  661   2HB   HIS  84          1HB       HIS  84 -17.440   7.550   6.369
  662    HD2  HIS  84           2HD      HIS  84 -18.126   6.492   2.627
  663    HE1  HIS  84           1HE      HIS  84 -15.033   4.125   4.282
  664    HE2  HIS  84           2HE      HIS  84 -16.505   4.502   2.253
  665    H    HIS  85           H        HIS  85 -21.167   7.747   7.439
  666    HA   HIS  85           HA       HIS  85 -19.900   6.333   9.681
  667   1HB   HIS  85          2HB       HIS  85 -21.530   7.860  11.021
  668   2HB   HIS  85          1HB       HIS  85 -20.073   8.563  10.325
  669    HD2  HIS  85           2HD      HIS  85 -23.934   8.484   9.632
  670    HE1  HIS  85           1HE      HIS  85 -22.177  11.759   7.607
  671    HE2  HIS  85           2HE      HIS  85 -24.333  10.499   8.047
  672    H    HIS  86           H        HIS  86 -22.187   6.420  11.377
  673    HA   HIS  86           HA       HIS  86 -23.684   4.183  10.235
  674   1HB   HIS  86          2HB       HIS  86 -24.573   4.280  12.773
  675   2HB   HIS  86          1HB       HIS  86 -23.105   3.431  12.304
  676    HD2  HIS  86           2HD      HIS  86 -23.887   7.120  13.515
  677    HE1  HIS  86           1HE      HIS  86 -20.280   5.722  15.232
  678    HE2  HIS  86           2HE      HIS  86 -21.814   7.721  14.954
  679    H    HIS  87           H        HIS  87 -24.563   6.196   8.907
  680    HA   HIS  87           HA       HIS  87 -26.347   7.489   8.349
  681   1HB   HIS  87          2HB       HIS  87 -27.345   5.148   9.566
  682   2HB   HIS  87          1HB       HIS  87 -28.315   6.479  10.188
  683    HD2  HIS  87           2HD      HIS  87 -28.425   4.126   7.362
  684    HE1  HIS  87           1HE      HIS  87 -30.230   7.669   5.914
  685    HE2  HIS  87           2HE      HIS  87 -30.011   5.164   5.590
  686    H    HIS  88           H        HIS  88 -28.499   8.498   9.751
  687    HA   HIS  88           HA       HIS  88 -27.428   9.832  12.114
  688   1HB   HIS  88          2HB       HIS  88 -27.344  11.063   9.605
  689   2HB   HIS  88          1HB       HIS  88 -28.739  11.775  10.408
  690    HD2  HIS  88           2HD      HIS  88 -28.054  13.954  11.770
  691    HE1  HIS  88           1HE      HIS  88 -24.084  12.821  12.704
  692    HE2  HIS  88           2HE      HIS  88 -25.779  14.706  12.766
  693    H    HIS  89           H        HIS  89 -29.076  11.068  13.286
  694    HA   HIS  89           HA       HIS  89 -31.587   9.646  13.280
  695   1HB   HIS  89          2HB       HIS  89 -30.069  11.248  15.155
  696   2HB   HIS  89          1HB       HIS  89 -31.756  11.750  15.121
  697    HD2  HIS  89           2HD      HIS  89 -33.613   9.685  15.787
  698    HE1  HIS  89           1HE      HIS  89 -30.641   7.331  17.669
  699    HE2  HIS  89           2HE      HIS  89 -33.122   7.569  17.206
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  -6.704 -18.064  27.702
    2   2H    MET   1          2HT       MET   1  -7.152 -16.899  28.844
    3   3H    MET   1          3HT       MET   1  -5.722 -16.710  27.960
    4    HA   MET   1           HA       MET   1  -8.442 -16.730  26.786
    5   1HB   MET   1          2HB       MET   1  -6.574 -14.433  27.415
    6   2HB   MET   1          1HB       MET   1  -8.081 -14.289  26.520
    7   1HG   MET   1          2HG       MET   1  -9.136 -15.358  28.637
    8   2HG   MET   1          1HG       MET   1  -7.648 -14.831  29.421
    9   1HE   MET   1          1HE       MET   1  -9.429 -13.411  31.073
   10   2HE   MET   1          2HE       MET   1 -10.731 -14.011  30.047
   11   3HE   MET   1          3HE       MET   1 -10.601 -12.286  30.390
   12    H    ARG   2           H        ARG   2  -8.234 -15.393  24.636
   13    HA   ARG   2           HA       ARG   2  -6.137 -16.716  23.085
   14   1HB   ARG   2          2HB       ARG   2  -8.715 -15.359  22.301
   15   2HB   ARG   2          1HB       ARG   2  -7.531 -15.910  21.123
   16   1HG   ARG   2          2HG       ARG   2  -8.102 -18.031  22.952
   17   2HG   ARG   2          1HG       ARG   2  -9.611 -17.379  22.307
   18   1HD   ARG   2          2HD       ARG   2  -7.245 -18.335  20.700
   19   2HD   ARG   2          1HD       ARG   2  -8.777 -19.184  20.903
   20    HE   ARG   2           HE       ARG   2  -9.675 -16.972  19.832
   21   1HH1  ARG   2          1HH1      ARG   2  -6.774 -18.716  19.004
   22   2HH1  ARG   2          2HH1      ARG   2  -6.797 -18.221  17.344
   23   1HH2  ARG   2          1HH2      ARG   2  -9.710 -16.314  17.648
   24   2HH2  ARG   2          2HH2      ARG   2  -8.464 -16.857  16.574
   25    H    GLY   3           H        GLY   3  -4.357 -15.411  23.540
   26   1HA   GLY   3          2HA       GLY   3  -4.003 -13.177  21.842
   27   2HA   GLY   3          1HA       GLY   3  -4.279 -12.623  23.486
   28    H    SER   4           H        SER   4  -2.147 -14.486  21.406
   29    HA   SER   4           HA       SER   4   0.072 -13.850  23.193
   30   1HB   SER   4          2HB       SER   4  -0.901 -16.216  23.649
   31   2HB   SER   4          1HB       SER   4  -0.143 -16.650  22.117
   32    HG   SER   4           HG       SER   4   1.789 -15.556  23.186
   33    H    ASN   5           H        ASN   5  -0.826 -12.925  20.569
   34    HA   ASN   5           HA       ASN   5   0.013 -12.396  18.524
   35   1HB   ASN   5          2HB       ASN   5   2.720 -13.310  19.470
   36   2HB   ASN   5          1HB       ASN   5   2.321 -11.986  18.378
   37   1HD2  ASN   5          1HD2      ASN   5   1.067 -10.188  19.359
   38   2HD2  ASN   5          2HD2      ASN   5   1.470  -9.720  20.973
   39    H    ALA   6           H        ALA   6  -1.076 -14.033  17.403
   40    HA   ALA   6           HA       ALA   6   0.604 -16.335  16.649
   41   1HB   ALA   6          1HB       ALA   6  -1.405 -17.650  16.343
   42   2HB   ALA   6          2HB       ALA   6  -2.409 -16.261  16.759
   43   3HB   ALA   6          3HB       ALA   6  -1.364 -16.991  17.977
   44    HA   PRO   7           HA       PRO   7   0.254 -13.949  12.758
   45   1HB   PRO   7          2HB       PRO   7   2.308 -15.930  11.966
   46   2HB   PRO   7          1HB       PRO   7   2.339 -14.168  11.847
   47   1HG   PRO   7          2HG       PRO   7   3.811 -15.453  13.668
   48   2HG   PRO   7          1HG       PRO   7   3.039 -13.899  14.037
   49   1HD   PRO   7          2HD       PRO   7   2.205 -16.665  14.822
   50   2HD   PRO   7          1HD       PRO   7   2.169 -15.163  15.771
   51    H    GLN   8           H        GLN   8  -1.446 -14.456  11.533
   52    HA   GLN   8           HA       GLN   8  -2.108 -17.231  10.985
   53   1HB   GLN   8          2HB       GLN   8  -3.515 -14.637  10.334
   54   2HB   GLN   8          1HB       GLN   8  -4.122 -16.220   9.866
   55   1HG   GLN   8          2HG       GLN   8  -3.480 -15.754  12.726
   56   2HG   GLN   8          1HG       GLN   8  -4.933 -15.012  12.058
   57   1HE2  GLN   8          1HE2      GLN   8  -5.113 -16.855  14.059
   58   2HE2  GLN   8          2HE2      GLN   8  -5.811 -18.315  13.455
   59    HA   PRO   9           HA       PRO   9   0.077 -16.808   7.063
   60   1HB   PRO   9          2HB       PRO   9   0.155 -19.420   6.450
   61   2HB   PRO   9          1HB       PRO   9   1.196 -18.729   7.701
   62   1HG   PRO   9          2HG       PRO   9  -1.362 -20.255   7.997
   63   2HG   PRO   9          1HG       PRO   9   0.140 -20.398   8.929
   64   1HD   PRO   9          2HD       PRO   9  -2.051 -19.001   9.788
   65   2HD   PRO   9          1HD       PRO   9  -0.388 -18.628  10.285
   66    H    SER  10           H        SER  10  -0.495 -16.961   4.881
   67    HA   SER  10           HA       SER  10  -2.970 -18.229   4.096
   68   1HB   SER  10          2HB       SER  10  -3.541 -15.815   3.023
   69   2HB   SER  10          1HB       SER  10  -4.179 -16.356   4.575
   70    HG   SER  10           HG       SER  10  -3.272 -14.330   4.841
   71    H    HIS  11           H        HIS  11  -0.711 -15.692   3.002
   72    HA   HIS  11           HA       HIS  11  -0.036 -17.350   0.692
   73   1HB   HIS  11          2HB       HIS  11  -1.083 -14.522   0.543
   74   2HB   HIS  11          1HB       HIS  11  -0.208 -15.293  -0.776
   75    HD2  HIS  11           2HD      HIS  11  -1.639 -17.079  -2.286
   76    HE1  HIS  11           1HE      HIS  11  -5.258 -16.640  -0.139
   77    HE2  HIS  11           2HE      HIS  11  -4.203 -17.463  -2.293
   78    H    ILE  12           H        ILE  12   0.606 -13.939   1.407
   79    HA   ILE  12           HA       ILE  12   3.464 -14.437   1.177
   80    HB   ILE  12           HB       ILE  12   2.634 -12.518  -0.015
   81   1HG1  ILE  12          2HG1      ILE  12   3.829 -10.775   1.867
   82   2HG1  ILE  12          1HG1      ILE  12   4.617 -12.338   2.061
   83   1HG2  ILE  12          1HG2      ILE  12   1.603 -10.610   1.171
   84   2HG2  ILE  12          2HG2      ILE  12   1.565 -11.581   2.642
   85   3HG2  ILE  12          3HG2      ILE  12   0.623 -12.075   1.234
   86   1HD1  ILE  12          1HD1      ILE  12   5.468 -10.534   0.330
   87   2HD1  ILE  12          2HD1      ILE  12   4.265 -11.316  -0.695
   88   3HD1  ILE  12          3HD1      ILE  12   5.576 -12.264   0.008
   89    H    SER  13           H        SER  13   4.966 -14.065   2.794
   90    HA   SER  13           HA       SER  13   4.293 -14.650   5.422
   91   1HB   SER  13          2HB       SER  13   6.676 -13.902   3.982
   92   2HB   SER  13          1HB       SER  13   6.631 -13.071   5.537
   93    HG   SER  13           HG       SER  13   7.614 -15.116   5.717
   94    H    LYS  14           H        LYS  14   5.064 -11.483   3.999
   95    HA   LYS  14           HA       LYS  14   3.099 -10.134   5.538
   96   1HB   LYS  14          2HB       LYS  14   4.707  -8.693   6.829
   97   2HB   LYS  14          1HB       LYS  14   4.591 -10.357   7.387
   98   1HG   LYS  14          2HG       LYS  14   6.738 -10.780   6.941
   99   2HG   LYS  14          1HG       LYS  14   6.683  -9.928   5.396
  100   1HD   LYS  14          2HD       LYS  14   7.697  -8.165   6.294
  101   2HD   LYS  14          1HD       LYS  14   6.443  -8.037   7.529
  102   1HE   LYS  14          2HE       LYS  14   7.756 -10.026   8.621
  103   2HE   LYS  14          1HE       LYS  14   9.085  -9.420   7.635
  104   1HZ   LYS  14          1HZ       LYS  14   8.380  -7.159   8.692
  105   2HZ   LYS  14          2HZ       LYS  14   9.370  -8.230   9.549
  106   3HZ   LYS  14          3HZ       LYS  14   7.718  -8.146   9.898
  107    H    TYR  15           H        TYR  15   2.721  -8.079   4.792
  108    HA   TYR  15           HA       TYR  15   4.392  -7.207   2.526
  109   1HB   TYR  15          2HB       TYR  15   1.563  -7.606   2.786
  110   2HB   TYR  15          1HB       TYR  15   1.871  -5.901   2.482
  111    HD1  TYR  15           1HD      TYR  15   3.887  -5.663   0.583
  112    HD2  TYR  15           2HD      TYR  15   1.022  -8.791   0.902
  113    HE1  TYR  15           1HE      TYR  15   4.143  -6.133  -1.817
  114    HE2  TYR  15           2HE      TYR  15   1.270  -9.272  -1.496
  115    HH   TYR  15           HH       TYR  15   2.518  -8.874  -3.334
  116    H    ILE  16           H        ILE  16   5.382  -5.254   2.697
  117    HA   ILE  16           HA       ILE  16   4.519  -3.506   4.908
  118    HB   ILE  16           HB       ILE  16   7.267  -3.927   3.748
  119   1HG1  ILE  16          2HG1      ILE  16   6.521  -5.458   5.545
  120   2HG1  ILE  16          1HG1      ILE  16   7.872  -4.448   6.051
  121   1HG2  ILE  16          1HG2      ILE  16   7.471  -2.058   5.821
  122   2HG2  ILE  16          2HG2      ILE  16   6.142  -1.488   4.811
  123   3HG2  ILE  16          3HG2      ILE  16   7.731  -1.774   4.101
  124   1HD1  ILE  16          1HD1      ILE  16   5.135  -3.489   6.659
  125   2HD1  ILE  16          2HD1      ILE  16   6.629  -3.320   7.580
  126   3HD1  ILE  16          3HD1      ILE  16   5.760  -4.855   7.583
  127    H    LEU  17           H        LEU  17   4.095  -1.424   4.532
  128    HA   LEU  17           HA       LEU  17   4.345  -0.488   1.754
  129   1HB   LEU  17          2HB       LEU  17   2.032  -0.830   3.087
  130   2HB   LEU  17          1HB       LEU  17   2.420   0.804   3.592
  131    HG   LEU  17           HG       LEU  17   2.782   0.646   0.767
  132   1HD1  LEU  17          1HD1      LEU  17  -0.052   0.008   1.425
  133   2HD1  LEU  17          2HD1      LEU  17   1.106  -1.314   1.273
  134   3HD1  LEU  17          3HD1      LEU  17   0.839  -0.216  -0.081
  135   1HD2  LEU  17          1HD2      LEU  17   0.944   2.091   2.647
  136   2HD2  LEU  17          2HD2      LEU  17   0.813   2.285   0.899
  137   3HD2  LEU  17          3HD2      LEU  17   2.310   2.720   1.724
  138    H    ARG  18           H        ARG  18   5.915   0.969   1.562
  139    HA   ARG  18           HA       ARG  18   6.388   2.803   3.818
  140   1HB   ARG  18          2HB       ARG  18   8.244   1.506   1.863
  141   2HB   ARG  18          1HB       ARG  18   8.670   3.077   2.527
  142   1HG   ARG  18          2HG       ARG  18   9.275   2.200   4.481
  143   2HG   ARG  18          1HG       ARG  18   7.827   1.196   4.574
  144   1HD   ARG  18          2HD       ARG  18   8.820  -0.506   3.247
  145   2HD   ARG  18          1HD       ARG  18  10.171   0.535   2.805
  146    HE   ARG  18           HE       ARG  18   9.745  -0.715   5.430
  147   1HH1  ARG  18          1HH1      ARG  18  11.792   0.974   3.168
  148   2HH1  ARG  18          2HH1      ARG  18  13.234   0.730   4.096
  149   1HH2  ARG  18          1HH2      ARG  18  11.640  -1.039   6.653
  150   2HH2  ARG  18          2HH2      ARG  18  13.147  -0.413   6.075
  151    H    TRP  19           H        TRP  19   6.033   4.914   3.472
  152    HA   TRP  19           HA       TRP  19   6.338   6.025   0.825
  153   1HB   TRP  19          2HB       TRP  19   4.138   6.649   0.392
  154   2HB   TRP  19          1HB       TRP  19   3.970   5.019   1.031
  155    HD1  TRP  19           HD       TRP  19   3.063   8.626   1.761
  156    HE1  TRP  19           1HE      TRP  19   1.457   8.700   3.775
  157    HE3  TRP  19           3HE      TRP  19   3.418   3.752   3.257
  158    HZ2  TRP  19           2HZ      TRP  19   0.475   6.922   5.739
  159    HZ3  TRP  19           3HZ      TRP  19   2.115   3.018   5.210
  160    HH2  TRP  19           HH       TRP  19   0.675   4.570   6.425
  161    H    ARG  20           H        ARG  20   6.157   8.293   0.724
  162    HA   ARG  20           HA       ARG  20   5.931   9.881   3.103
  163   1HB   ARG  20          2HB       ARG  20   8.219  10.791   2.985
  164   2HB   ARG  20          1HB       ARG  20   8.227   9.072   3.353
  165   1HG   ARG  20          2HG       ARG  20   9.252   8.524   1.423
  166   2HG   ARG  20          1HG       ARG  20   8.421   9.778   0.499
  167   1HD   ARG  20          2HD       ARG  20   9.885  11.470   1.393
  168   2HD   ARG  20          1HD       ARG  20  10.643  10.295   2.467
  169    HE   ARG  20           HE       ARG  20  11.606   9.247   0.512
  170   1HH1  ARG  20          1HH1      ARG  20  10.188  12.394   0.033
  171   2HH1  ARG  20          2HH1      ARG  20  11.104  12.728  -1.399
  172   1HH2  ARG  20          1HH2      ARG  20  12.813   9.678  -1.372
  173   2HH2  ARG  20          2HH2      ARG  20  12.594  11.186  -2.198
  174    HA   PRO  21           HA       PRO  21   4.693  12.987   0.222
  175   1HB   PRO  21          2HB       PRO  21   6.595  14.883   1.512
  176   2HB   PRO  21          1HB       PRO  21   4.853  15.041   1.245
  177   1HG   PRO  21          2HG       PRO  21   5.759  14.514   3.673
  178   2HG   PRO  21          1HG       PRO  21   4.323  13.670   3.053
  179   1HD   PRO  21          2HD       PRO  21   7.148  12.684   3.257
  180   2HD   PRO  21          1HD       PRO  21   5.633  11.846   3.658
  181    H    LYS  22           H        LYS  22   5.270  13.120  -1.834
  182    HA   LYS  22           HA       LYS  22   8.001  12.827  -2.662
  183   1HB   LYS  22          2HB       LYS  22   5.789  12.021  -3.821
  184   2HB   LYS  22          1HB       LYS  22   5.805  13.630  -4.531
  185   1HG   LYS  22          2HG       LYS  22   8.288  12.973  -5.124
  186   2HG   LYS  22          1HG       LYS  22   7.639  11.338  -4.977
  187   1HD   LYS  22          2HD       LYS  22   5.779  12.850  -6.480
  188   2HD   LYS  22          1HD       LYS  22   7.382  13.185  -7.140
  189   1HE   LYS  22          2HE       LYS  22   6.046  10.507  -6.802
  190   2HE   LYS  22          1HE       LYS  22   6.502  11.302  -8.308
  191   1HZ   LYS  22          1HZ       LYS  22   8.252  10.039  -6.293
  192   2HZ   LYS  22          2HZ       LYS  22   8.863  11.168  -7.395
  193   3HZ   LYS  22          3HZ       LYS  22   8.161   9.734  -7.955
  194    H    ASN  23           H        ASN  23   5.667  15.459  -2.512
  195    HA   ASN  23           HA       ASN  23   7.540  17.302  -3.760
  196   1HB   ASN  23          2HB       ASN  23   5.771  18.831  -3.909
  197   2HB   ASN  23          1HB       ASN  23   4.987  17.271  -4.139
  198   1HD2  ASN  23          1HD2      ASN  23   3.674  16.443  -2.520
  199   2HD2  ASN  23          2HD2      ASN  23   3.072  17.426  -1.233
  200    H    SER  24           H        SER  24   6.254  16.522  -0.604
  201    HA   SER  24           HA       SER  24   7.675  18.787   0.590
  202   1HB   SER  24          2HB       SER  24   5.238  17.472   1.204
  203   2HB   SER  24          1HB       SER  24   6.341  17.170   2.546
  204    HG   SER  24           HG       SER  24   6.360  19.760   1.628
  205    H    VAL  25           H        VAL  25   8.779  18.290   2.721
  206    HA   VAL  25           HA       VAL  25  10.338  15.803   2.450
  207    HB   VAL  25           HB       VAL  25  11.826  17.590   2.024
  208   1HG1  VAL  25          1HG1      VAL  25  10.405  18.952   4.271
  209   2HG1  VAL  25          2HG1      VAL  25  10.760  19.541   2.647
  210   3HG1  VAL  25          3HG1      VAL  25  12.048  19.430   3.847
  211   1HG2  VAL  25          1HG2      VAL  25  12.357  17.236   4.940
  212   2HG2  VAL  25          2HG2      VAL  25  13.478  17.201   3.580
  213   3HG2  VAL  25          3HG2      VAL  25  12.405  15.833   3.871
  214    H    GLY  26           H        GLY  26  10.356  14.432   4.127
  215   1HA   GLY  26          2HA       GLY  26  10.066  15.273   6.843
  216   2HA   GLY  26          1HA       GLY  26   8.584  14.556   6.231
  217    H    ARG  27           H        ARG  27   8.370  12.488   6.727
  218    HA   ARG  27           HA       ARG  27  10.734  10.755   6.612
  219   1HB   ARG  27          2HB       ARG  27   8.915  11.193   8.941
  220   2HB   ARG  27          1HB       ARG  27   9.576   9.585   8.678
  221   1HG   ARG  27          2HG       ARG  27  11.830  10.458   8.794
  222   2HG   ARG  27          1HG       ARG  27  11.207  12.100   8.967
  223   1HD   ARG  27          2HD       ARG  27  10.330  10.004  10.898
  224   2HD   ARG  27          1HD       ARG  27  11.939  10.704  11.069
  225    HE   ARG  27           HE       ARG  27  10.282  12.858  10.835
  226   1HH1  ARG  27          1HH1      ARG  27  10.440  10.099  12.960
  227   2HH1  ARG  27          2HH1      ARG  27   9.731  10.932  14.302
  228   1HH2  ARG  27          1HH2      ARG  27   9.353  13.959  12.596
  229   2HH2  ARG  27          2HH2      ARG  27   9.112  13.126  14.095
  230    H    TRP  28           H        TRP  28  10.109   8.406   6.652
  231    HA   TRP  28           HA       TRP  28   7.956   7.995   4.763
  232   1HB   TRP  28          2HB       TRP  28   9.985   6.101   5.964
  233   2HB   TRP  28          1HB       TRP  28   8.790   5.631   4.761
  234    HD1  TRP  28           HD       TRP  28  11.644   8.261   5.052
  235    HE1  TRP  28           1HE      TRP  28  12.775   8.445   2.747
  236    HE3  TRP  28           3HE      TRP  28   8.685   5.016   2.436
  237    HZ2  TRP  28           2HZ      TRP  28  12.454   7.355   0.161
  238    HZ3  TRP  28           3HZ      TRP  28   9.164   4.642   0.052
  239    HH2  TRP  28           HH       TRP  28  11.010   5.789  -1.061
  240    H    LYS  29           H        LYS  29   6.905   5.605   5.242
  241    HA   LYS  29           HA       LYS  29   6.018   5.421   8.002
  242   1HB   LYS  29          2HB       LYS  29   4.504   7.011   6.493
  243   2HB   LYS  29          1HB       LYS  29   3.836   5.469   5.970
  244   1HG   LYS  29          2HG       LYS  29   2.760   5.134   7.904
  245   2HG   LYS  29          1HG       LYS  29   4.098   5.754   8.874
  246   1HD   LYS  29          2HD       LYS  29   3.420   8.002   8.532
  247   2HD   LYS  29          1HD       LYS  29   2.278   7.536   7.268
  248   1HE   LYS  29          2HE       LYS  29   1.936   6.367   9.982
  249   2HE   LYS  29          1HE       LYS  29   1.488   8.054   9.740
  250   1HZ   LYS  29          1HZ       LYS  29   0.122   7.251   7.813
  251   2HZ   LYS  29          2HZ       LYS  29  -0.432   6.775   9.339
  252   3HZ   LYS  29          3HZ       LYS  29   0.394   5.672   8.359
  253    H    GLU  30           H        GLU  30   5.252   3.364   8.530
  254    HA   GLU  30           HA       GLU  30   5.492   1.379   6.366
  255   1HB   GLU  30          2HB       GLU  30   6.102   0.862   9.272
  256   2HB   GLU  30          1HB       GLU  30   6.459  -0.172   7.897
  257   1HG   GLU  30          2HG       GLU  30   8.416   0.808   7.579
  258   2HG   GLU  30          1HG       GLU  30   7.677   2.409   7.562
  259    H    ALA  31           H        ALA  31   3.846   0.077   6.018
  260    HA   ALA  31           HA       ALA  31   1.843  -0.338   8.122
  261   1HB   ALA  31          1HB       ALA  31   1.078   0.185   5.256
  262   2HB   ALA  31          2HB       ALA  31   1.116   1.446   6.489
  263   3HB   ALA  31          3HB       ALA  31   0.019   0.077   6.664
  264    H    THR  32           H        THR  32   1.908  -2.450   8.508
  265    HA   THR  32           HA       THR  32   2.657  -4.312   6.415
  266    HB   THR  32           HB       THR  32   1.907  -5.093   9.220
  267    HG1  THR  32           1HG      THR  32   3.595  -4.012   9.882
  268   1HG2  THR  32          1HG2      THR  32   2.194  -6.957   7.754
  269   2HG2  THR  32          2HG2      THR  32   3.650  -6.851   8.742
  270   3HG2  THR  32          3HG2      THR  32   3.672  -6.274   7.076
  271    H    ILE  33           H        ILE  33   1.404  -5.863   5.535
  272    HA   ILE  33           HA       ILE  33  -1.410  -6.011   6.368
  273    HB   ILE  33           HB       ILE  33  -0.568  -6.147   3.478
  274   1HG1  ILE  33          2HG1      ILE  33  -1.961  -3.732   4.512
  275   2HG1  ILE  33          1HG1      ILE  33  -0.245  -3.878   4.874
  276   1HG2  ILE  33          1HG2      ILE  33  -3.026  -6.529   4.940
  277   2HG2  ILE  33          2HG2      ILE  33  -2.659  -6.868   3.249
  278   3HG2  ILE  33          3HG2      ILE  33  -3.195  -5.257   3.730
  279   1HD1  ILE  33          1HD1      ILE  33  -1.332  -4.140   2.092
  280   2HD1  ILE  33          2HD1      ILE  33   0.336  -3.870   2.597
  281   3HD1  ILE  33          3HD1      ILE  33  -0.864  -2.592   2.795
  282    HA   PRO  34           HA       PRO  34  -0.115 -10.316   6.396
  283   1HB   PRO  34          2HB       PRO  34  -2.723 -10.906   7.529
  284   2HB   PRO  34          1HB       PRO  34  -1.136 -10.994   8.295
  285   1HG   PRO  34          2HG       PRO  34  -3.022  -9.150   8.974
  286   2HG   PRO  34          1HG       PRO  34  -1.279  -8.872   9.139
  287   1HD   PRO  34          2HD       PRO  34  -3.154  -7.938   6.998
  288   2HD   PRO  34          1HD       PRO  34  -1.823  -7.067   7.791
  289    H    GLY  35           H        GLY  35  -0.247 -10.472   4.081
  290   1HA   GLY  35          2HA       GLY  35  -1.012 -11.580   2.214
  291   2HA   GLY  35          1HA       GLY  35  -2.288 -12.265   3.210
  292    H    HIS  36           H        HIS  36  -4.272 -11.178   3.396
  293    HA   HIS  36           HA       HIS  36  -4.789  -8.666   2.183
  294   1HB   HIS  36          2HB       HIS  36  -4.459 -10.241   0.185
  295   2HB   HIS  36          1HB       HIS  36  -5.977 -10.985   0.671
  296    HD2  HIS  36           2HD      HIS  36  -7.464  -8.040   1.357
  297    HE1  HIS  36           1HE      HIS  36  -6.852  -7.495  -2.794
  298    HE2  HIS  36           2HE      HIS  36  -8.258  -6.827  -0.793
  299    H    LEU  37           H        LEU  37  -5.884  -8.247   4.085
  300    HA   LEU  37           HA       LEU  37  -8.038  -9.979   4.948
  301   1HB   LEU  37          2HB       LEU  37  -8.019  -7.389   6.228
  302   2HB   LEU  37          1HB       LEU  37  -7.797  -8.980   6.928
  303    HG   LEU  37           HG       LEU  37  -5.362  -8.716   5.929
  304   1HD1  LEU  37          1HD1      LEU  37  -5.609  -5.893   6.685
  305   2HD1  LEU  37          2HD1      LEU  37  -6.356  -6.312   5.144
  306   3HD1  LEU  37          3HD1      LEU  37  -4.647  -6.651   5.416
  307   1HD2  LEU  37          1HD2      LEU  37  -5.229  -9.007   8.147
  308   2HD2  LEU  37          2HD2      LEU  37  -6.615  -7.964   8.468
  309   3HD2  LEU  37          3HD2      LEU  37  -5.023  -7.256   8.194
  310    H    ASN  38           H        ASN  38  -7.622  -6.936   3.278
  311    HA   ASN  38           HA       ASN  38 -10.055  -7.010   1.937
  312   1HB   ASN  38          2HB       ASN  38 -11.442  -5.429   3.069
  313   2HB   ASN  38          1HB       ASN  38 -10.947  -6.617   4.270
  314   1HD2  ASN  38          1HD2      ASN  38  -8.489  -5.825   4.991
  315   2HD2  ASN  38          2HD2      ASN  38  -8.533  -4.250   5.696
  316    H    SER  39           H        SER  39 -10.605  -4.189   1.871
  317    HA   SER  39           HA       SER  39  -8.371  -3.359   0.220
  318   1HB   SER  39          2HB       SER  39 -10.710  -3.059  -0.557
  319   2HB   SER  39          1HB       SER  39 -10.987  -1.938   0.776
  320    HG   SER  39           HG       SER  39 -10.189  -0.460  -0.467
  321    H    TYR  40           H        TYR  40  -6.678  -2.532   1.280
  322    HA   TYR  40           HA       TYR  40  -7.031  -0.980   3.698
  323   1HB   TYR  40          2HB       TYR  40  -5.109  -2.672   3.070
  324   2HB   TYR  40          1HB       TYR  40  -4.390  -1.252   2.319
  325    HD1  TYR  40           1HD      TYR  40  -4.645   0.928   4.002
  326    HD2  TYR  40           2HD      TYR  40  -4.286  -3.151   5.160
  327    HE1  TYR  40           1HE      TYR  40  -3.759   1.632   6.184
  328    HE2  TYR  40           2HE      TYR  40  -3.400  -2.456   7.347
  329    HH   TYR  40           HH       TYR  40  -2.191   0.469   7.998
  330    H    THR  41           H        THR  41  -7.378   1.127   3.704
  331    HA   THR  41           HA       THR  41  -6.322   2.749   1.478
  332    HB   THR  41           HB       THR  41  -8.820   3.447   3.012
  333    HG1  THR  41           1HG      THR  41  -9.947   2.169   1.740
  334   1HG2  THR  41          1HG2      THR  41  -8.953   5.232   1.662
  335   2HG2  THR  41          2HG2      THR  41  -8.537   4.289   0.231
  336   3HG2  THR  41          3HG2      THR  41  -7.262   4.911   1.280
  337    H    ILE  42           H        ILE  42  -4.929   4.278   2.075
  338    HA   ILE  42           HA       ILE  42  -4.609   4.892   4.903
  339    HB   ILE  42           HB       ILE  42  -2.950   5.631   2.490
  340   1HG1  ILE  42          2HG1      ILE  42  -1.599   4.153   4.561
  341   2HG1  ILE  42          1HG1      ILE  42  -3.069   3.307   4.087
  342   1HG2  ILE  42          1HG2      ILE  42  -2.675   6.428   5.369
  343   2HG2  ILE  42          2HG2      ILE  42  -2.618   7.443   3.927
  344   3HG2  ILE  42          3HG2      ILE  42  -1.280   6.355   4.294
  345   1HD1  ILE  42          1HD1      ILE  42  -0.661   3.103   2.844
  346   2HD1  ILE  42          2HD1      ILE  42  -1.492   4.289   1.838
  347   3HD1  ILE  42          3HD1      ILE  42  -2.217   2.706   2.116
  348    H    LYS  43           H        LYS  43  -5.481   6.623   5.820
  349    HA   LYS  43           HA       LYS  43  -6.200   8.910   4.104
  350   1HB   LYS  43          2HB       LYS  43  -7.659   8.492   6.657
  351   2HB   LYS  43          1HB       LYS  43  -8.231   9.147   5.130
  352   1HG   LYS  43          2HG       LYS  43  -8.930   7.152   4.391
  353   2HG   LYS  43          1HG       LYS  43  -7.529   6.304   5.048
  354   1HD   LYS  43          2HD       LYS  43  -8.556   6.554   7.320
  355   2HD   LYS  43          1HD       LYS  43 -10.004   7.178   6.528
  356   1HE   LYS  43          2HE       LYS  43 -10.684   5.132   5.957
  357   2HE   LYS  43          1HE       LYS  43  -9.092   4.699   5.336
  358   1HZ   LYS  43          1HZ       LYS  43 -10.253   3.673   7.560
  359   2HZ   LYS  43          2HZ       LYS  43  -9.190   4.821   8.200
  360   3HZ   LYS  43          3HZ       LYS  43  -8.603   3.596   7.192
  361    H    GLY  44           H        GLY  44  -4.663  10.393   4.465
  362   1HA   GLY  44          2HA       GLY  44  -4.519  11.750   6.938
  363   2HA   GLY  44          1HA       GLY  44  -3.131  10.683   6.783
  364    H    LEU  45           H        LEU  45  -4.194  11.690   3.771
  365    HA   LEU  45           HA       LEU  45  -1.957  13.560   3.568
  366   1HB   LEU  45          2HB       LEU  45  -3.671  12.563   1.304
  367   2HB   LEU  45          1HB       LEU  45  -2.068  13.253   1.214
  368    HG   LEU  45           HG       LEU  45  -1.591  11.037   0.869
  369   1HD1  LEU  45          1HD1      LEU  45  -0.610  10.076   2.846
  370   2HD1  LEU  45          2HD1      LEU  45  -1.586  11.117   3.881
  371   3HD1  LEU  45          3HD1      LEU  45  -0.339  11.819   2.850
  372   1HD2  LEU  45          1HD2      LEU  45  -3.043   9.577   2.823
  373   2HD2  LEU  45          2HD2      LEU  45  -3.172   9.507   1.067
  374   3HD2  LEU  45          3HD2      LEU  45  -4.159  10.650   1.977
  375    H    LYS  46           H        LYS  46  -3.341  14.688   1.093
  376    HA   LYS  46           HA       LYS  46  -5.628  16.105   2.037
  377   1HB   LYS  46          2HB       LYS  46  -4.217  17.459   3.316
  378   2HB   LYS  46          1HB       LYS  46  -2.936  17.429   2.114
  379   1HG   LYS  46          2HG       LYS  46  -4.578  18.749   0.637
  380   2HG   LYS  46          1HG       LYS  46  -5.450  19.045   2.143
  381   1HD   LYS  46          2HD       LYS  46  -3.591  20.142   3.113
  382   2HD   LYS  46          1HD       LYS  46  -2.521  19.633   1.803
  383   1HE   LYS  46          2HE       LYS  46  -4.874  21.502   1.524
  384   2HE   LYS  46          1HE       LYS  46  -3.184  21.995   1.607
  385   1HZ   LYS  46          1HZ       LYS  46  -4.578  20.549  -0.553
  386   2HZ   LYS  46          2HZ       LYS  46  -2.897  20.450  -0.397
  387   3HZ   LYS  46          3HZ       LYS  46  -3.633  21.951  -0.649
  388    HA   PRO  47           HA       PRO  47  -6.311  16.292  -2.328
  389   1HB   PRO  47          2HB       PRO  47  -7.698  18.854  -1.734
  390   2HB   PRO  47          1HB       PRO  47  -8.292  17.426  -2.587
  391   1HG   PRO  47          2HG       PRO  47  -9.098  17.959  -0.106
  392   2HG   PRO  47          1HG       PRO  47  -8.776  16.292  -0.621
  393   1HD   PRO  47          2HD       PRO  47  -7.109  18.114   1.064
  394   2HD   PRO  47          1HD       PRO  47  -7.371  16.364   1.213
  395    H    GLY  48           H        GLY  48  -4.207  16.716  -3.041
  396   1HA   GLY  48          2HA       GLY  48  -3.446  18.553  -4.663
  397   2HA   GLY  48          1HA       GLY  48  -3.425  19.552  -3.216
  398    H    VAL  49           H        VAL  49  -2.515  17.251  -1.580
  399    HA   VAL  49           HA       VAL  49   0.329  17.510  -2.173
  400    HB   VAL  49           HB       VAL  49  -0.694  16.010   0.199
  401   1HG1  VAL  49          1HG1      VAL  49   1.481  18.016   0.314
  402   2HG1  VAL  49          2HG1      VAL  49   1.784  16.538  -0.600
  403   3HG1  VAL  49          3HG1      VAL  49   1.341  16.445   1.105
  404   1HG2  VAL  49          1HG2      VAL  49  -2.101  17.869   0.389
  405   2HG2  VAL  49          2HG2      VAL  49  -0.862  18.980  -0.193
  406   3HG2  VAL  49          3HG2      VAL  49  -0.717  18.257   1.409
  407    H    VAL  50           H        VAL  50   1.438  15.946  -3.159
  408    HA   VAL  50           HA       VAL  50   0.182  13.312  -3.428
  409    HB   VAL  50           HB       VAL  50   2.478  14.507  -4.983
  410   1HG1  VAL  50          1HG1      VAL  50   1.475  11.805  -4.759
  411   2HG1  VAL  50          2HG1      VAL  50   2.916  12.408  -5.577
  412   3HG1  VAL  50          3HG1      VAL  50   1.365  12.402  -6.415
  413   1HG2  VAL  50          1HG2      VAL  50   0.528  14.207  -6.788
  414   2HG2  VAL  50          2HG2      VAL  50   0.747  15.686  -5.852
  415   3HG2  VAL  50          3HG2      VAL  50  -0.457  14.497  -5.354
  416    H    TYR  51           H        TYR  51   0.897  11.655  -2.295
  417    HA   TYR  51           HA       TYR  51   3.550  11.839  -1.040
  418   1HB   TYR  51          2HB       TYR  51   1.100  10.237  -0.287
  419   2HB   TYR  51          1HB       TYR  51   2.667  10.040   0.488
  420    HD1  TYR  51           1HD      TYR  51   3.081  11.231   2.424
  421    HD2  TYR  51           2HD      TYR  51   0.205  12.730  -0.328
  422    HE1  TYR  51           1HE      TYR  51   2.527  13.040   3.997
  423    HE2  TYR  51           2HE      TYR  51  -0.360  14.540   1.236
  424    HH   TYR  51           HH       TYR  51   0.515  14.539   4.445
  425    H    GLU  52           H        GLU  52   5.102  10.678  -1.952
  426    HA   GLU  52           HA       GLU  52   4.450   8.571  -3.825
  427   1HB   GLU  52          2HB       GLU  52   6.561   8.821  -4.636
  428   2HB   GLU  52          1HB       GLU  52   6.440  10.367  -3.811
  429   1HG   GLU  52          2HG       GLU  52   7.800   9.681  -2.057
  430   2HG   GLU  52          1HG       GLU  52   7.560   7.972  -2.413
  431    H    GLY  53           H        GLY  53   5.090   6.367  -3.627
  432   1HA   GLY  53          2HA       GLY  53   6.300   5.422  -1.203
  433   2HA   GLY  53          1HA       GLY  53   4.568   5.145  -1.232
  434    H    GLN  54           H        GLN  54   6.448   3.106  -1.057
  435    HA   GLN  54           HA       GLN  54   5.927   1.678  -3.566
  436   1HB   GLN  54          2HB       GLN  54   8.265   0.540  -2.618
  437   2HB   GLN  54          1HB       GLN  54   8.134   1.648  -3.977
  438   1HG   GLN  54          2HG       GLN  54   8.327   3.486  -2.156
  439   2HG   GLN  54          1HG       GLN  54   8.999   2.183  -1.175
  440   1HE2  GLN  54          1HE2      GLN  54  10.142   4.673  -2.420
  441   2HE2  GLN  54          2HE2      GLN  54  11.543   4.124  -3.270
  442    H    LEU  55           H        LEU  55   5.661  -0.597  -3.325
  443    HA   LEU  55           HA       LEU  55   4.990  -1.382  -0.568
  444   1HB   LEU  55          2HB       LEU  55   3.059  -1.304  -2.036
  445   2HB   LEU  55          1HB       LEU  55   3.862  -2.349  -3.193
  446    HG   LEU  55           HG       LEU  55   3.881  -4.136  -1.409
  447   1HD1  LEU  55          1HD1      LEU  55   3.374  -3.505   0.660
  448   2HD1  LEU  55          2HD1      LEU  55   1.700  -3.361   0.122
  449   3HD1  LEU  55          3HD1      LEU  55   2.756  -1.949   0.106
  450   1HD2  LEU  55          1HD2      LEU  55   2.026  -4.948  -2.349
  451   2HD2  LEU  55          2HD2      LEU  55   1.969  -3.433  -3.250
  452   3HD2  LEU  55          3HD2      LEU  55   1.038  -3.611  -1.763
  453    H    ILE  56           H        ILE  56   6.601  -2.542   0.259
  454    HA   ILE  56           HA       ILE  56   8.143  -4.345  -1.436
  455    HB   ILE  56           HB       ILE  56   8.530  -3.647   1.477
  456   1HG1  ILE  56          2HG1      ILE  56  10.619  -2.502   0.326
  457   2HG1  ILE  56          1HG1      ILE  56   9.551  -2.468  -1.074
  458   1HG2  ILE  56          1HG2      ILE  56   9.872  -5.424   1.502
  459   2HG2  ILE  56          2HG2      ILE  56  10.933  -4.529   0.415
  460   3HG2  ILE  56          3HG2      ILE  56   9.735  -5.643  -0.244
  461   1HD1  ILE  56          1HD1      ILE  56   8.331  -0.802  -0.238
  462   2HD1  ILE  56          2HD1      ILE  56   9.693  -0.553   0.854
  463   3HD1  ILE  56          3HD1      ILE  56   8.304  -1.504   1.379
  464    H    SER  57           H        SER  57   8.129  -6.539  -1.276
  465    HA   SER  57           HA       SER  57   6.246  -7.706   0.662
  466   1HB   SER  57          2HB       SER  57   5.162  -8.753  -0.990
  467   2HB   SER  57          1HB       SER  57   6.116  -7.815  -2.139
  468    HG   SER  57           HG       SER  57   6.475  -9.927  -2.634
  469    H    ILE  58           H        ILE  58   7.096  -9.044   2.054
  470    HA   ILE  58           HA       ILE  58   9.690 -10.291   1.432
  471    HB   ILE  58           HB       ILE  58   8.621  -9.844   4.213
  472   1HG1  ILE  58          2HG1      ILE  58  10.739  -8.086   3.052
  473   2HG1  ILE  58          1HG1      ILE  58   9.059  -7.742   2.651
  474   1HG2  ILE  58          1HG2      ILE  58  10.315 -11.458   4.254
  475   2HG2  ILE  58          2HG2      ILE  58  11.134  -9.956   4.679
  476   3HG2  ILE  58          3HG2      ILE  58  11.280 -10.608   3.048
  477   1HD1  ILE  58          1HD1      ILE  58  10.087  -6.525   4.637
  478   2HD1  ILE  58          2HD1      ILE  58   9.961  -8.065   5.489
  479   3HD1  ILE  58          3HD1      ILE  58   8.509  -7.277   4.869
  480    H    GLN  59           H        GLN  59   9.580 -12.387   1.048
  481    HA   GLN  59           HA       GLN  59   7.267 -13.923   1.886
  482   1HB   GLN  59          2HB       GLN  59   9.640 -15.040   0.419
  483   2HB   GLN  59          1HB       GLN  59   7.965 -15.570   0.365
  484   1HG   GLN  59          2HG       GLN  59   8.352 -12.825  -0.546
  485   2HG   GLN  59          1HG       GLN  59   9.211 -14.026  -1.509
  486   1HE2  GLN  59          1HE2      GLN  59   6.196 -14.570   0.193
  487   2HE2  GLN  59          2HE2      GLN  59   5.221 -14.794  -1.216
  488    H    GLN  60           H        GLN  60   7.756 -16.244   2.643
  489    HA   GLN  60           HA       GLN  60   9.066 -16.071   5.155
  490   1HB   GLN  60          2HB       GLN  60   8.672 -18.639   5.091
  491   2HB   GLN  60          1HB       GLN  60   7.286 -17.561   5.165
  492   1HG   GLN  60          2HG       GLN  60   6.660 -17.992   2.999
  493   2HG   GLN  60          1HG       GLN  60   8.287 -18.460   2.509
  494   1HE2  GLN  60          1HE2      GLN  60   8.362 -20.508   1.973
  495   2HE2  GLN  60          2HE2      GLN  60   7.537 -21.805   2.762
  496    H    TYR  61           H        TYR  61  10.106 -16.989   1.998
  497    HA   TYR  61           HA       TYR  61  12.547 -18.207   3.079
  498   1HB   TYR  61          2HB       TYR  61  10.943 -18.650   0.696
  499   2HB   TYR  61          1HB       TYR  61  12.643 -18.423   0.304
  500    HD1  TYR  61           1HD      TYR  61  10.557 -20.282   2.797
  501    HD2  TYR  61           2HD      TYR  61  13.965 -20.311   0.248
  502    HE1  TYR  61           1HE      TYR  61  11.010 -22.612   3.438
  503    HE2  TYR  61           2HE      TYR  61  14.426 -22.642   0.881
  504    HH   TYR  61           HH       TYR  61  12.208 -24.465   2.925
  505    H    GLY  62           H        GLY  62  11.547 -15.226   2.375
  506   1HA   GLY  62          2HA       GLY  62  13.280 -13.488   2.508
  507   2HA   GLY  62          1HA       GLY  62  14.198 -14.425   1.342
  508    H    HIS  63           H        HIS  63  14.335 -13.166  -0.407
  509    HA   HIS  63           HA       HIS  63  13.732 -12.039  -2.289
  510   1HB   HIS  63          2HB       HIS  63  11.378 -13.686  -1.681
  511   2HB   HIS  63          1HB       HIS  63  11.025 -12.256  -2.645
  512    HD2  HIS  63           2HD      HIS  63  12.735 -12.108  -5.037
  513    HE1  HIS  63           1HE      HIS  63  12.987 -16.330  -5.185
  514    HE2  HIS  63           2HE      HIS  63  13.506 -14.171  -6.409
  515    H    GLN  64           H        GLN  64  12.289 -10.227  -3.105
  516    HA   GLN  64           HA       GLN  64  10.888  -8.688  -1.122
  517   1HB   GLN  64          2HB       GLN  64  13.682  -8.060  -1.859
  518   2HB   GLN  64          1HB       GLN  64  12.569  -6.699  -1.852
  519   1HG   GLN  64          2HG       GLN  64  12.566  -6.604   0.361
  520   2HG   GLN  64          1HG       GLN  64  12.235  -8.332   0.502
  521   1HE2  GLN  64          1HE2      GLN  64  14.372  -5.986   1.284
  522   2HE2  GLN  64          2HE2      GLN  64  15.800  -6.937   1.483
  523    H    GLU  65           H        GLU  65   9.148  -8.209  -2.273
  524    HA   GLU  65           HA       GLU  65   9.422  -7.426  -5.091
  525   1HB   GLU  65          2HB       GLU  65   7.713  -9.187  -3.962
  526   2HB   GLU  65          1HB       GLU  65   6.746  -7.725  -3.842
  527   1HG   GLU  65          2HG       GLU  65   7.979  -8.128  -6.463
  528   2HG   GLU  65          1HG       GLU  65   6.833  -9.384  -5.997
  529    H    VAL  66           H        VAL  66   9.533  -5.305  -5.493
  530    HA   VAL  66           HA       VAL  66   8.018  -3.498  -3.724
  531    HB   VAL  66           HB       VAL  66  10.612  -2.818  -5.095
  532   1HG1  VAL  66          1HG1      VAL  66   8.933  -1.408  -3.026
  533   2HG1  VAL  66          2HG1      VAL  66   9.284  -0.871  -4.669
  534   3HG1  VAL  66          3HG1      VAL  66  10.571  -0.924  -3.464
  535   1HG2  VAL  66          1HG2      VAL  66  11.023  -2.844  -2.344
  536   2HG2  VAL  66          2HG2      VAL  66  11.634  -4.012  -3.517
  537   3HG2  VAL  66          3HG2      VAL  66  10.114  -4.318  -2.676
  538    H    THR  67           H        THR  67   6.807  -1.938  -4.603
  539    HA   THR  67           HA       THR  67   6.970  -1.415  -7.483
  540    HB   THR  67           HB       THR  67   4.432  -2.123  -5.997
  541    HG1  THR  67           1HG      THR  67   4.465  -3.618  -7.982
  542   1HG2  THR  67          1HG2      THR  67   4.210  -0.188  -7.604
  543   2HG2  THR  67          2HG2      THR  67   3.194  -1.586  -7.959
  544   3HG2  THR  67          3HG2      THR  67   4.666  -1.305  -8.890
  545    H    ARG  68           H        ARG  68   7.004   0.716  -7.866
  546    HA   ARG  68           HA       ARG  68   6.510   2.565  -5.692
  547   1HB   ARG  68          2HB       ARG  68   7.323   3.168  -8.539
  548   2HB   ARG  68          1HB       ARG  68   7.440   4.250  -7.158
  549   1HG   ARG  68          2HG       ARG  68   8.840   1.918  -6.457
  550   2HG   ARG  68          1HG       ARG  68   9.320   2.320  -8.108
  551   1HD   ARG  68          2HD       ARG  68   9.218   4.446  -6.006
  552   2HD   ARG  68          1HD       ARG  68  10.605   3.361  -6.102
  553    HE   ARG  68           HE       ARG  68  11.158   4.286  -8.190
  554   1HH1  ARG  68          1HH1      ARG  68   8.332   5.764  -6.786
  555   2HH1  ARG  68          2HH1      ARG  68   8.386   7.151  -7.820
  556   1HH2  ARG  68          1HH2      ARG  68  11.238   6.112  -9.554
  557   2HH2  ARG  68          2HH2      ARG  68  10.036   7.350  -9.393
  558    H    PHE  69           H        PHE  69   4.964   4.178  -5.635
  559    HA   PHE  69           HA       PHE  69   3.066   4.502  -7.785
  560   1HB   PHE  69          2HB       PHE  69   1.139   4.059  -6.103
  561   2HB   PHE  69          1HB       PHE  69   1.913   2.687  -6.887
  562    HD1  PHE  69           1HD      PHE  69   2.035   4.718  -3.763
  563    HD2  PHE  69           2HD      PHE  69   2.749   0.952  -5.613
  564    HE1  PHE  69           1HE      PHE  69   2.534   3.734  -1.555
  565    HE2  PHE  69           2HE      PHE  69   3.244  -0.037  -3.419
  566    HZ   PHE  69           HZ       PHE  69   3.136   1.351  -1.387
  567    H    ASP  70           H        ASP  70   1.575   6.251  -7.432
  568    HA   ASP  70           HA       ASP  70   2.373   8.087  -5.268
  569   1HB   ASP  70          2HB       ASP  70   1.579   9.866  -7.068
  570   2HB   ASP  70          1HB       ASP  70   3.229   9.250  -7.069
  571    H    PHE  71           H        PHE  71   0.712   8.435  -3.914
  572    HA   PHE  71           HA       PHE  71  -1.987   8.633  -5.031
  573   1HB   PHE  71          2HB       PHE  71  -2.923   7.103  -3.428
  574   2HB   PHE  71          1HB       PHE  71  -1.613   6.287  -4.277
  575    HD1  PHE  71           1HD      PHE  71  -2.964   7.134  -1.114
  576    HD2  PHE  71           2HD      PHE  71   0.692   6.279  -3.117
  577    HE1  PHE  71           1HE      PHE  71  -1.908   6.607   1.046
  578    HE2  PHE  71           2HE      PHE  71   1.757   5.748  -0.961
  579    HZ   PHE  71           HZ       PHE  71   0.454   5.912   1.125
  580    H    THR  72           H        THR  72  -3.506   9.688  -3.746
  581    HA   THR  72           HA       THR  72  -2.656  10.972  -1.281
  582    HB   THR  72           HB       THR  72  -2.569  13.105  -1.979
  583    HG1  THR  72           1HG      THR  72  -4.626  13.590  -2.363
  584   1HG2  THR  72          1HG2      THR  72  -1.407  11.671  -3.871
  585   2HG2  THR  72          2HG2      THR  72  -1.578  13.419  -4.021
  586   3HG2  THR  72          3HG2      THR  72  -2.704  12.347  -4.856
  587    H    THR  73           H        THR  73  -4.558  12.222  -0.317
  588    HA   THR  73           HA       THR  73  -6.673  10.668   0.270
  589    HB   THR  73           HB       THR  73  -8.022  12.714   0.713
  590    HG1  THR  73           1HG      THR  73  -7.479  14.559  -0.184
  591   1HG2  THR  73          1HG2      THR  73  -6.493  13.684   2.366
  592   2HG2  THR  73          2HG2      THR  73  -5.135  12.869   1.588
  593   3HG2  THR  73          3HG2      THR  73  -6.404  11.923   2.366
  594    H    THR  74           H        THR  74  -6.924  13.214  -2.221
  595    HA   THR  74           HA       THR  74  -8.759  11.470  -3.716
  596    HB   THR  74           HB       THR  74 -10.485  12.815  -3.255
  597    HG1  THR  74           1HG      THR  74 -10.351  13.838  -5.147
  598   1HG2  THR  74          1HG2      THR  74 -10.194  15.040  -2.117
  599   2HG2  THR  74          2HG2      THR  74  -8.455  14.752  -2.152
  600   3HG2  THR  74          3HG2      THR  74  -9.511  13.664  -1.252
  601    H    SER  75           H        SER  75  -6.263  13.840  -3.646
  602    HA   SER  75           HA       SER  75  -6.301  14.373  -6.481
  603   1HB   SER  75          2HB       SER  75  -5.174  15.615  -4.217
  604   2HB   SER  75          1HB       SER  75  -3.807  15.074  -5.194
  605    HG   SER  75           HG       SER  75  -5.531  16.110  -6.873
  606    H    THR  76           H        THR  76  -4.048  14.132  -7.613
  607    HA   THR  76           HA       THR  76  -2.423  11.910  -6.898
  608    HB   THR  76           HB       THR  76  -3.317  10.911  -9.341
  609    HG1  THR  76           1HG      THR  76  -5.248  12.326  -8.707
  610   1HG2  THR  76          1HG2      THR  76  -4.541   9.557  -7.100
  611   2HG2  THR  76          2HG2      THR  76  -2.877  10.014  -6.733
  612   3HG2  THR  76          3HG2      THR  76  -3.229   9.024  -8.149
  613    H    SER  77           H        SER  77  -0.514  11.997  -7.963
  614    HA   SER  77           HA       SER  77   0.025  14.224  -9.643
  615   1HB   SER  77          2HB       SER  77   1.834  13.529  -8.302
  616   2HB   SER  77          1HB       SER  77   1.644  11.838  -8.768
  617    HG   SER  77           HG       SER  77   3.391  13.244  -9.776
  618    H    THR  78           H        THR  78   0.888  10.882 -10.462
  619    HA   THR  78           HA       THR  78   0.864   9.750 -12.439
  620    HB   THR  78           HB       THR  78  -1.637  11.203 -13.227
  621    HG1  THR  78           1HG      THR  78  -2.496   9.304 -11.760
  622   1HG2  THR  78          1HG2      THR  78  -2.291   8.846 -13.834
  623   2HG2  THR  78          2HG2      THR  78  -0.639   8.367 -13.441
  624   3HG2  THR  78          3HG2      THR  78  -0.940   9.510 -14.751
  625    HA   PRO  79           HA       PRO  79   2.774  13.317 -14.710
  626   1HB   PRO  79          2HB       PRO  79   4.717  11.672 -15.804
  627   2HB   PRO  79          1HB       PRO  79   4.897  12.602 -14.314
  628   1HG   PRO  79          2HG       PRO  79   4.208   9.719 -14.680
  629   2HG   PRO  79          1HG       PRO  79   5.246  10.481 -13.460
  630   1HD   PRO  79          2HD       PRO  79   2.754   9.680 -12.879
  631   2HD   PRO  79          1HD       PRO  79   3.444  11.154 -12.168
  632    H    GLY  80           H        GLY  80   1.848  10.078 -15.733
  633   1HA   GLY  80          2HA       GLY  80   0.193  10.454 -17.723
  634   2HA   GLY  80          1HA       GLY  80   1.670  10.972 -18.522
  635    H    SER  81           H        SER  81   0.023   8.250 -17.028
  636    HA   SER  81           HA       SER  81   1.153   6.426 -18.917
  637   1HB   SER  81          2HB       SER  81   2.942   6.755 -17.068
  638   2HB   SER  81          1HB       SER  81   1.852   5.808 -16.055
  639    HG   SER  81           HG       SER  81   3.296   4.421 -17.047
  640    H    ARG  82           H        ARG  82   0.010   6.113 -15.557
  641    HA   ARG  82           HA       ARG  82  -2.251   4.523 -16.578
  642   1HB   ARG  82          2HB       ARG  82  -2.122   3.659 -14.058
  643   2HB   ARG  82          1HB       ARG  82  -1.186   2.922 -15.350
  644   1HG   ARG  82          2HG       ARG  82   0.721   4.399 -14.710
  645   2HG   ARG  82          1HG       ARG  82  -0.228   4.919 -13.315
  646   1HD   ARG  82          2HD       ARG  82  -0.176   2.796 -12.341
  647   2HD   ARG  82          1HD       ARG  82   0.280   2.014 -13.854
  648    HE   ARG  82           HE       ARG  82   2.309   3.802 -13.102
  649   1HH1  ARG  82          1HH1      ARG  82   0.900   0.775 -12.106
  650   2HH1  ARG  82          2HH1      ARG  82   2.360   0.184 -11.388
  651   1HH2  ARG  82          1HH2      ARG  82   4.236   3.032 -12.157
  652   2HH2  ARG  82          2HH2      ARG  82   4.256   1.466 -11.416
  653    H    SER  83           H        SER  83  -3.527   6.431 -16.760
  654    HA   SER  83           HA       SER  83  -4.340   7.589 -14.177
  655   1HB   SER  83          2HB       SER  83  -3.325   9.132 -15.938
  656   2HB   SER  83          1HB       SER  83  -4.791   8.856 -16.880
  657    HG   SER  83           HG       SER  83  -5.894   9.541 -14.839
  658    H    HIS  84           H        HIS  84  -5.979   7.697 -17.310
  659    HA   HIS  84           HA       HIS  84  -8.216   6.195 -16.119
  660   1HB   HIS  84          2HB       HIS  84  -9.559   7.743 -17.829
  661   2HB   HIS  84          1HB       HIS  84  -9.223   8.248 -16.176
  662    HD2  HIS  84           2HD      HIS  84  -7.842  10.553 -15.940
  663    HE1  HIS  84           1HE      HIS  84  -6.718  10.888 -20.006
  664    HE2  HIS  84           2HE      HIS  84  -6.563  11.952 -17.710
  665    H    HIS  85           H        HIS  85  -7.891   4.262 -17.105
  666    HA   HIS  85           HA       HIS  85  -8.678   4.004 -19.827
  667   1HB   HIS  85          2HB       HIS  85  -6.180   4.698 -19.885
  668   2HB   HIS  85          1HB       HIS  85  -5.869   3.059 -19.321
  669    HD2  HIS  85           2HD      HIS  85  -4.738   2.186 -21.661
  670    HE1  HIS  85           1HE      HIS  85  -8.169   2.834 -24.052
  671    HE2  HIS  85           2HE      HIS  85  -5.921   1.672 -23.912
  672    H    HIS  86           H        HIS  86  -6.390   2.060 -17.927
  673    HA   HIS  86           HA       HIS  86  -8.385   0.226 -17.024
  674   1HB   HIS  86          2HB       HIS  86  -7.656  -0.205 -19.621
  675   2HB   HIS  86          1HB       HIS  86  -6.511  -1.232 -18.763
  676    HD2  HIS  86           2HD      HIS  86 -10.279  -1.039 -19.605
  677    HE1  HIS  86           1HE      HIS  86  -9.548  -4.611 -17.458
  678    HE2  HIS  86           2HE      HIS  86 -11.305  -3.216 -18.639
  679    H    HIS  87           H        HIS  87  -7.637  -1.068 -15.396
  680    HA   HIS  87           HA       HIS  87  -5.030  -0.433 -14.347
  681   1HB   HIS  87          2HB       HIS  87  -7.414  -1.076 -13.184
  682   2HB   HIS  87          1HB       HIS  87  -6.551  -2.604 -13.062
  683    HD2  HIS  87           2HD      HIS  87  -7.208  -0.726 -10.421
  684    HE1  HIS  87           1HE      HIS  87  -3.019  -0.125 -10.489
  685    HE2  HIS  87           2HE      HIS  87  -5.100  -0.108  -9.040
  686    H    HIS  88           H        HIS  88  -3.714  -1.329 -16.024
  687    HA   HIS  88           HA       HIS  88  -3.203  -4.175 -15.612
  688   1HB   HIS  88          2HB       HIS  88  -4.342  -3.044 -18.023
  689   2HB   HIS  88          1HB       HIS  88  -2.791  -3.806 -18.359
  690    HD2  HIS  88           2HD      HIS  88  -6.400  -4.749 -17.280
  691    HE1  HIS  88           1HE      HIS  88  -4.194  -8.291 -17.982
  692    HE2  HIS  88           2HE      HIS  88  -6.512  -7.308 -17.682
  693    H    HIS  89           H        HIS  89  -1.196  -4.642 -17.306
  694    HA   HIS  89           HA       HIS  89   0.971  -3.195 -16.163
  695   1HB   HIS  89          2HB       HIS  89   2.287  -4.525 -17.968
  696   2HB   HIS  89          1HB       HIS  89   1.508  -5.406 -16.659
  697    HD2  HIS  89           2HD      HIS  89   0.706  -4.539 -20.424
  698    HE1  HIS  89           1HE      HIS  89  -1.113  -8.203 -19.339
  699    HE2  HIS  89           2HE      HIS  89  -0.837  -6.483 -21.180
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -16.493  -2.992   6.304
    2   2H    MET   1          2HT       MET   1 -17.542  -1.918   5.525
    3   3H    MET   1          3HT       MET   1 -18.041  -3.501   5.850
    4    HA   MET   1           HA       MET   1 -18.616  -1.375   7.377
    5   1HB   MET   1          2HB       MET   1 -18.437  -4.329   7.876
    6   2HB   MET   1          1HB       MET   1 -18.979  -3.254   9.158
    7   1HG   MET   1          2HG       MET   1 -20.514  -2.421   7.081
    8   2HG   MET   1          1HG       MET   1 -20.350  -4.139   6.729
    9   1HE   MET   1          1HE       MET   1 -22.104  -1.570   7.992
   10   2HE   MET   1          2HE       MET   1 -22.578  -1.822   9.672
   11   3HE   MET   1          3HE       MET   1 -23.551  -2.505   8.369
   12    H    ARG   2           H        ARG   2 -18.045  -2.397  10.062
   13    HA   ARG   2           HA       ARG   2 -15.756  -0.824  10.630
   14   1HB   ARG   2          2HB       ARG   2 -17.884  -1.823  12.086
   15   2HB   ARG   2          1HB       ARG   2 -16.508  -2.709  12.729
   16   1HG   ARG   2          2HG       ARG   2 -16.463  -0.902  14.100
   17   2HG   ARG   2          1HG       ARG   2 -15.438  -0.295  12.798
   18   1HD   ARG   2          2HD       ARG   2 -16.987   1.203  12.094
   19   2HD   ARG   2          1HD       ARG   2 -18.343   0.153  12.501
   20    HE   ARG   2           HE       ARG   2 -18.359   1.030  14.649
   21   1HH1  ARG   2          1HH1      ARG   2 -15.663   2.272  12.823
   22   2HH1  ARG   2          2HH1      ARG   2 -15.303   3.524  13.964
   23   1HH2  ARG   2          1HH2      ARG   2 -17.890   2.672  16.156
   24   2HH2  ARG   2          2HH2      ARG   2 -16.568   3.751  15.859
   25    H    GLY   3           H        GLY   3 -16.320  -4.330  10.574
   26   1HA   GLY   3          2HA       GLY   3 -14.774  -6.001  10.086
   27   2HA   GLY   3          1HA       GLY   3 -13.509  -4.782  10.047
   28    H    SER   4           H        SER   4 -13.607  -7.444  11.355
   29    HA   SER   4           HA       SER   4 -13.357  -6.639  14.170
   30   1HB   SER   4          2HB       SER   4 -13.343  -9.498  13.254
   31   2HB   SER   4          1HB       SER   4 -13.852  -8.828  14.804
   32    HG   SER   4           HG       SER   4 -15.430  -9.487  12.912
   33    H    ASN   5           H        ASN   5 -11.845  -9.573  13.204
   34    HA   ASN   5           HA       ASN   5  -9.263  -8.517  12.618
   35   1HB   ASN   5          2HB       ASN   5  -9.946  -8.662  15.358
   36   2HB   ASN   5          1HB       ASN   5  -8.837  -9.993  15.049
   37   1HD2  ASN   5          1HD2      ASN   5  -6.735  -9.553  14.399
   38   2HD2  ASN   5          2HD2      ASN   5  -6.032  -7.984  14.562
   39    H    ALA   6           H        ALA   6  -8.768  -9.957  11.086
   40    HA   ALA   6           HA       ALA   6  -8.508 -12.751  11.826
   41   1HB   ALA   6          1HB       ALA   6  -9.726 -12.985   9.349
   42   2HB   ALA   6          2HB       ALA   6 -10.704 -11.790  10.202
   43   3HB   ALA   6          3HB       ALA   6 -10.437 -13.382  10.914
   44    HA   PRO   7           HA       PRO   7  -5.303 -11.258   8.826
   45   1HB   PRO   7          2HB       PRO   7  -3.150 -11.325  10.401
   46   2HB   PRO   7          1HB       PRO   7  -4.285  -9.970  10.465
   47   1HG   PRO   7          2HG       PRO   7  -3.992 -12.290  12.324
   48   2HG   PRO   7          1HG       PRO   7  -4.337 -10.591  12.694
   49   1HD   PRO   7          2HD       PRO   7  -6.232 -12.621  12.539
   50   2HD   PRO   7          1HD       PRO   7  -6.579 -10.885  12.431
   51    H    GLN   8           H        GLN   8  -4.106 -12.604   7.570
   52    HA   GLN   8           HA       GLN   8  -2.966 -15.039   8.592
   53   1HB   GLN   8          2HB       GLN   8  -4.235 -16.412   6.810
   54   2HB   GLN   8          1HB       GLN   8  -5.061 -16.026   8.313
   55   1HG   GLN   8          2HG       GLN   8  -6.528 -14.611   7.309
   56   2HG   GLN   8          1HG       GLN   8  -5.391 -14.150   6.043
   57   1HE2  GLN   8          1HE2      GLN   8  -8.155 -15.821   6.679
   58   2HE2  GLN   8          2HE2      GLN   8  -8.177 -16.873   5.310
   59    HA   PRO   9           HA       PRO   9  -0.109 -13.720   5.413
   60   1HB   PRO   9          2HB       PRO   9   0.946 -16.470   5.795
   61   2HB   PRO   9          1HB       PRO   9   1.788 -14.919   5.881
   62   1HG   PRO   9          2HG       PRO   9   1.222 -16.294   8.094
   63   2HG   PRO   9          1HG       PRO   9   1.117 -14.524   8.063
   64   1HD   PRO   9          2HD       PRO   9  -1.071 -16.559   7.962
   65   2HD   PRO   9          1HD       PRO   9  -1.027 -14.988   8.788
   66    H    SER  10           H        SER  10  -1.023 -17.168   5.298
   67    HA   SER  10           HA       SER  10  -1.734 -18.513   3.615
   68   1HB   SER  10          2HB       SER  10  -3.125 -16.022   3.270
   69   2HB   SER  10          1HB       SER  10  -2.788 -16.728   1.691
   70    HG   SER  10           HG       SER  10  -3.656 -18.572   3.501
   71    H    HIS  11           H        HIS  11  -1.251 -15.825   1.401
   72    HA   HIS  11           HA       HIS  11   0.590 -17.427  -0.149
   73   1HB   HIS  11          2HB       HIS  11  -0.949 -14.922  -0.565
   74   2HB   HIS  11          1HB       HIS  11   0.535 -15.107  -1.493
   75    HD2  HIS  11           2HD      HIS  11   0.237 -18.287  -2.219
   76    HE1  HIS  11           1HE      HIS  11  -3.435 -17.046  -3.919
   77    HE2  HIS  11           2HE      HIS  11  -1.604 -18.801  -3.972
   78    H    ILE  12           H        ILE  12   0.749 -14.012   0.873
   79    HA   ILE  12           HA       ILE  12   3.657 -14.175   0.905
   80    HB   ILE  12           HB       ILE  12   2.699 -12.230  -0.170
   81   1HG1  ILE  12          2HG1      ILE  12   3.601 -10.521   1.817
   82   2HG1  ILE  12          1HG1      ILE  12   4.421 -12.036   2.184
   83   1HG2  ILE  12          1HG2      ILE  12   0.793 -12.368   1.848
   84   2HG2  ILE  12          2HG2      ILE  12   0.910 -11.146   0.581
   85   3HG2  ILE  12          3HG2      ILE  12   1.660 -10.863   2.152
   86   1HD1  ILE  12          1HD1      ILE  12   4.940 -11.977  -0.396
   87   2HD1  ILE  12          2HD1      ILE  12   5.929 -11.098   0.771
   88   3HD1  ILE  12          3HD1      ILE  12   4.696 -10.246  -0.159
   89    H    SER  13           H        SER  13   4.942 -13.868   2.692
   90    HA   SER  13           HA       SER  13   3.904 -14.654   5.207
   91   1HB   SER  13          2HB       SER  13   6.553 -13.741   4.181
   92   2HB   SER  13          1HB       SER  13   6.283 -13.686   5.923
   93    HG   SER  13           HG       SER  13   6.611 -15.750   5.932
   94    H    LYS  14           H        LYS  14   5.100 -11.549   3.964
   95    HA   LYS  14           HA       LYS  14   3.225 -10.095   5.568
   96   1HB   LYS  14          2HB       LYS  14   4.866  -8.815   6.863
   97   2HB   LYS  14          1HB       LYS  14   4.928 -10.525   7.264
   98   1HG   LYS  14          2HG       LYS  14   6.782 -10.165   5.198
   99   2HG   LYS  14          1HG       LYS  14   7.008  -8.805   6.300
  100   1HD   LYS  14          2HD       LYS  14   6.674 -11.080   7.916
  101   2HD   LYS  14          1HD       LYS  14   7.779 -11.551   6.623
  102   1HE   LYS  14          2HE       LYS  14   8.915  -9.253   7.190
  103   2HE   LYS  14          1HE       LYS  14   8.097  -9.471   8.737
  104   1HZ   LYS  14          1HZ       LYS  14   9.229 -11.886   8.314
  105   2HZ   LYS  14          2HZ       LYS  14   9.893 -10.659   9.271
  106   3HZ   LYS  14          3HZ       LYS  14  10.390 -10.840   7.665
  107    H    TYR  15           H        TYR  15   2.922  -8.026   4.865
  108    HA   TYR  15           HA       TYR  15   4.539  -7.156   2.557
  109   1HB   TYR  15          2HB       TYR  15   1.673  -7.512   2.891
  110   2HB   TYR  15          1HB       TYR  15   2.056  -5.859   2.434
  111    HD1  TYR  15           1HD      TYR  15   1.032  -8.821   1.129
  112    HD2  TYR  15           2HD      TYR  15   4.061  -5.901   0.495
  113    HE1  TYR  15           1HE      TYR  15   1.205  -9.520  -1.222
  114    HE2  TYR  15           2HE      TYR  15   4.244  -6.593  -1.857
  115    HH   TYR  15           HH       TYR  15   1.976  -8.794  -3.307
  116    H    ILE  16           H        ILE  16   5.518  -5.187   2.785
  117    HA   ILE  16           HA       ILE  16   4.561  -3.487   4.995
  118    HB   ILE  16           HB       ILE  16   7.354  -3.747   3.884
  119   1HG1  ILE  16          2HG1      ILE  16   6.676  -5.457   5.530
  120   2HG1  ILE  16          1HG1      ILE  16   7.927  -4.398   6.173
  121   1HG2  ILE  16          1HG2      ILE  16   7.845  -1.685   4.575
  122   2HG2  ILE  16          2HG2      ILE  16   7.172  -2.013   6.171
  123   3HG2  ILE  16          3HG2      ILE  16   6.128  -1.416   4.880
  124   1HD1  ILE  16          1HD1      ILE  16   5.978  -5.032   7.695
  125   2HD1  ILE  16          2HD1      ILE  16   5.028  -3.901   6.732
  126   3HD1  ILE  16          3HD1      ILE  16   6.443  -3.333   7.618
  127    H    LEU  17           H        LEU  17   4.008  -1.463   4.608
  128    HA   LEU  17           HA       LEU  17   4.322  -0.476   1.857
  129   1HB   LEU  17          2HB       LEU  17   2.008  -0.869   3.221
  130   2HB   LEU  17          1HB       LEU  17   2.354   0.797   3.640
  131    HG   LEU  17           HG       LEU  17   2.713   0.487   0.820
  132   1HD1  LEU  17          1HD1      LEU  17  -0.130  -0.011   1.327
  133   2HD1  LEU  17          2HD1      LEU  17   0.922  -1.389   1.653
  134   3HD1  LEU  17          3HD1      LEU  17   0.927  -0.634   0.060
  135   1HD2  LEU  17          1HD2      LEU  17   1.335   2.186   2.735
  136   2HD2  LEU  17          2HD2      LEU  17   0.423   1.969   1.240
  137   3HD2  LEU  17          3HD2      LEU  17   2.073   2.591   1.184
  138    H    ARG  18           H        ARG  18   5.857   1.017   1.701
  139    HA   ARG  18           HA       ARG  18   6.265   2.828   3.981
  140   1HB   ARG  18          2HB       ARG  18   8.164   1.688   1.959
  141   2HB   ARG  18          1HB       ARG  18   8.536   3.212   2.756
  142   1HG   ARG  18          2HG       ARG  18   9.032   2.222   4.707
  143   2HG   ARG  18          1HG       ARG  18   7.731   1.040   4.558
  144   1HD   ARG  18          2HD       ARG  18   9.148  -0.510   3.833
  145   2HD   ARG  18          1HD       ARG  18   9.728   0.558   2.556
  146    HE   ARG  18           HE       ARG  18  11.500   1.207   3.921
  147   1HH1  ARG  18          1HH1      ARG  18   9.345  -0.963   5.591
  148   2HH1  ARG  18          2HH1      ARG  18  10.464  -1.294   6.872
  149   1HH2  ARG  18          1HH2      ARG  18  12.978   0.781   5.606
  150   2HH2  ARG  18          2HH2      ARG  18  12.528  -0.302   6.880
  151    H    TRP  19           H        TRP  19   5.833   4.933   3.684
  152    HA   TRP  19           HA       TRP  19   5.962   6.033   0.994
  153   1HB   TRP  19          2HB       TRP  19   3.728   6.814   0.900
  154   2HB   TRP  19          1HB       TRP  19   3.636   5.116   1.348
  155    HD1  TRP  19           HD       TRP  19   2.968   8.617   2.709
  156    HE1  TRP  19           1HE      TRP  19   1.571   8.417   4.862
  157    HE3  TRP  19           3HE      TRP  19   3.156   3.544   3.330
  158    HZ2  TRP  19           2HZ      TRP  19   0.667   6.377   6.593
  159    HZ3  TRP  19           3HZ      TRP  19   1.998   2.550   5.260
  160    HH2  TRP  19           HH       TRP  19   0.780   3.938   6.857
  161    H    ARG  20           H        ARG  20   5.876   8.295   0.870
  162    HA   ARG  20           HA       ARG  20   5.895   9.930   3.225
  163   1HB   ARG  20          2HB       ARG  20   8.151  10.653   3.176
  164   2HB   ARG  20          1HB       ARG  20   8.224   8.898   3.101
  165   1HG   ARG  20          2HG       ARG  20   9.665   9.277   1.428
  166   2HG   ARG  20          1HG       ARG  20   8.200   9.498   0.469
  167   1HD   ARG  20          2HD       ARG  20   8.570  11.692   0.206
  168   2HD   ARG  20          1HD       ARG  20   9.036  11.906   1.893
  169    HE   ARG  20           HE       ARG  20  11.112  10.581   0.575
  170   1HH1  ARG  20          1HH1      ARG  20   9.538  13.690   0.579
  171   2HH1  ARG  20          2HH1      ARG  20  10.952  14.549   0.065
  172   1HH2  ARG  20          1HH2      ARG  20  12.978  11.706  -0.100
  173   2HH2  ARG  20          2HH2      ARG  20  12.906  13.422  -0.321
  174    HA   PRO  21           HA       PRO  21   4.402  12.918   0.344
  175   1HB   PRO  21          2HB       PRO  21   6.177  14.903   1.677
  176   2HB   PRO  21          1HB       PRO  21   4.431  14.960   1.399
  177   1HG   PRO  21          2HG       PRO  21   5.354  14.447   3.824
  178   2HG   PRO  21          1HG       PRO  21   3.972  13.534   3.185
  179   1HD   PRO  21          2HD       PRO  21   6.847  12.706   3.396
  180   2HD   PRO  21          1HD       PRO  21   5.378  11.775   3.763
  181    H    LYS  22           H        LYS  22   5.072  12.771  -1.690
  182    HA   LYS  22           HA       LYS  22   7.800  12.825  -2.483
  183   1HB   LYS  22          2HB       LYS  22   5.648  11.789  -3.623
  184   2HB   LYS  22          1HB       LYS  22   5.604  13.346  -4.437
  185   1HG   LYS  22          2HG       LYS  22   8.125  12.805  -4.921
  186   2HG   LYS  22          1HG       LYS  22   7.589  11.145  -4.655
  187   1HD   LYS  22          2HD       LYS  22   5.936  12.848  -6.435
  188   2HD   LYS  22          1HD       LYS  22   7.500  12.308  -7.050
  189   1HE   LYS  22          2HE       LYS  22   5.394  10.485  -5.897
  190   2HE   LYS  22          1HE       LYS  22   5.608  10.794  -7.620
  191   1HZ   LYS  22          1HZ       LYS  22   8.063  10.082  -7.009
  192   2HZ   LYS  22          2HZ       LYS  22   6.878   8.947  -7.416
  193   3HZ   LYS  22          3HZ       LYS  22   7.258   9.227  -5.791
  194    H    ASN  23           H        ASN  23   5.215  15.216  -2.437
  195    HA   ASN  23           HA       ASN  23   6.820  17.188  -3.821
  196   1HB   ASN  23          2HB       ASN  23   4.030  16.894  -3.057
  197   2HB   ASN  23          1HB       ASN  23   4.640  18.506  -2.693
  198   1HD2  ASN  23          1HD2      ASN  23   2.712  18.362  -4.499
  199   2HD2  ASN  23          2HD2      ASN  23   3.317  18.615  -6.098
  200    H    SER  24           H        SER  24   5.791  16.482  -0.535
  201    HA   SER  24           HA       SER  24   7.183  18.846   0.468
  202   1HB   SER  24          2HB       SER  24   4.846  17.739   1.264
  203   2HB   SER  24          1HB       SER  24   5.957  16.942   2.379
  204    HG   SER  24           HG       SER  24   6.653  18.968   3.069
  205    H    VAL  25           H        VAL  25   8.070  18.027   2.908
  206    HA   VAL  25           HA       VAL  25   9.937  15.823   2.384
  207    HB   VAL  25           HB       VAL  25  11.284  17.714   1.911
  208   1HG1  VAL  25          1HG1      VAL  25  10.821  19.743   2.672
  209   2HG1  VAL  25          2HG1      VAL  25  11.194  19.241   4.320
  210   3HG1  VAL  25          3HG1      VAL  25   9.558  19.055   3.690
  211   1HG2  VAL  25          1HG2      VAL  25  11.812  16.962   4.786
  212   2HG2  VAL  25          2HG2      VAL  25  12.974  17.658   3.657
  213   3HG2  VAL  25          3HG2      VAL  25  12.331  16.041   3.375
  214    H    GLY  26           H        GLY  26   9.210  14.375   3.833
  215   1HA   GLY  26          2HA       GLY  26   9.233  15.196   6.659
  216   2HA   GLY  26          1HA       GLY  26   7.846  14.324   6.023
  217    H    ARG  27           H        ARG  27   7.972  12.429   7.087
  218    HA   ARG  27           HA       ARG  27  10.439  10.864   6.710
  219   1HB   ARG  27          2HB       ARG  27   8.596  10.714   9.101
  220   2HB   ARG  27          1HB       ARG  27  10.098   9.827   8.874
  221   1HG   ARG  27          2HG       ARG  27  11.139  11.457   9.947
  222   2HG   ARG  27          1HG       ARG  27  10.786  12.514   8.579
  223   1HD   ARG  27          2HD       ARG  27   8.842  12.063  10.827
  224   2HD   ARG  27          1HD       ARG  27  10.062  13.335  10.869
  225    HE   ARG  27           HE       ARG  27   8.966  14.389   9.038
  226   1HH1  ARG  27          1HH1      ARG  27   7.258  11.644  10.340
  227   2HH1  ARG  27          2HH1      ARG  27   5.735  12.103   9.653
  228   1HH2  ARG  27          1HH2      ARG  27   6.965  15.001   8.133
  229   2HH2  ARG  27          2HH2      ARG  27   5.569  14.011   8.398
  230    H    TRP  28           H        TRP  28  10.191   8.621   6.406
  231    HA   TRP  28           HA       TRP  28   7.940   7.880   4.859
  232   1HB   TRP  28          2HB       TRP  28  10.227   6.288   6.020
  233   2HB   TRP  28          1HB       TRP  28   8.980   5.565   5.008
  234    HD1  TRP  28           HD       TRP  28  11.888   8.075   4.825
  235    HE1  TRP  28           1HE      TRP  28  12.600   8.310   2.362
  236    HE3  TRP  28           3HE      TRP  28   8.189   5.303   2.642
  237    HZ2  TRP  28           2HZ      TRP  28  11.711   7.435  -0.170
  238    HZ3  TRP  28           3HZ      TRP  28   8.192   5.052   0.195
  239    HH2  TRP  28           HH       TRP  28   9.917   6.097  -1.181
  240    H    LYS  29           H        LYS  29   6.857   5.649   5.364
  241    HA   LYS  29           HA       LYS  29   6.202   5.357   8.193
  242   1HB   LYS  29          2HB       LYS  29   4.447   6.564   6.216
  243   2HB   LYS  29          1HB       LYS  29   3.724   5.129   6.930
  244   1HG   LYS  29          2HG       LYS  29   4.954   6.916   8.883
  245   2HG   LYS  29          1HG       LYS  29   3.628   7.646   7.978
  246   1HD   LYS  29          2HD       LYS  29   2.193   5.741   8.572
  247   2HD   LYS  29          1HD       LYS  29   3.521   5.046   9.507
  248   1HE   LYS  29          2HE       LYS  29   2.830   6.214  11.265
  249   2HE   LYS  29          1HE       LYS  29   3.243   7.693  10.398
  250   1HZ   LYS  29          1HZ       LYS  29   1.027   7.773   9.494
  251   2HZ   LYS  29          2HZ       LYS  29   0.937   7.672  11.179
  252   3HZ   LYS  29          3HZ       LYS  29   0.622   6.305  10.233
  253    H    GLU  30           H        GLU  30   5.325   3.283   8.700
  254    HA   GLU  30           HA       GLU  30   5.608   1.338   6.501
  255   1HB   GLU  30          2HB       GLU  30   6.218   0.877   9.424
  256   2HB   GLU  30          1HB       GLU  30   6.451  -0.273   8.116
  257   1HG   GLU  30          2HG       GLU  30   8.031   1.460   7.109
  258   2HG   GLU  30          1HG       GLU  30   7.974   2.243   8.688
  259    H    ALA  31           H        ALA  31   4.062  -0.146   6.197
  260    HA   ALA  31           HA       ALA  31   1.967  -0.498   8.211
  261   1HB   ALA  31          1HB       ALA  31   1.223  -0.072   5.333
  262   2HB   ALA  31          2HB       ALA  31   1.319   1.267   6.478
  263   3HB   ALA  31          3HB       ALA  31   0.183  -0.053   6.757
  264    H    THR  32           H        THR  32   2.015  -2.602   8.617
  265    HA   THR  32           HA       THR  32   2.858  -4.495   6.600
  266    HB   THR  32           HB       THR  32   1.864  -5.260   9.329
  267    HG1  THR  32           1HG      THR  32   4.539  -4.986   9.266
  268   1HG2  THR  32          1HG2      THR  32   3.884  -6.424   7.408
  269   2HG2  THR  32          2HG2      THR  32   2.312  -7.098   7.836
  270   3HG2  THR  32          3HG2      THR  32   3.600  -7.032   9.039
  271    H    ILE  33           H        ILE  33   1.637  -5.986   5.587
  272    HA   ILE  33           HA       ILE  33  -1.236  -6.086   6.197
  273    HB   ILE  33           HB       ILE  33  -0.437  -6.453   3.368
  274   1HG1  ILE  33          2HG1      ILE  33   0.851  -4.429   4.151
  275   2HG1  ILE  33          1HG1      ILE  33  -0.293  -4.122   2.849
  276   1HG2  ILE  33          1HG2      ILE  33  -2.602  -4.868   3.347
  277   2HG2  ILE  33          2HG2      ILE  33  -2.793  -5.617   4.932
  278   3HG2  ILE  33          3HG2      ILE  33  -2.682  -6.624   3.488
  279   1HD1  ILE  33          1HD1      ILE  33  -0.132  -2.470   4.825
  280   2HD1  ILE  33          2HD1      ILE  33  -1.092  -3.670   5.690
  281   3HD1  ILE  33          3HD1      ILE  33  -1.722  -2.932   4.217
  282    HA   PRO  34           HA       PRO  34  -0.019 -10.421   6.203
  283   1HB   PRO  34          2HB       PRO  34  -2.209 -11.374   7.437
  284   2HB   PRO  34          1HB       PRO  34  -0.957 -10.486   8.314
  285   1HG   PRO  34          2HG       PRO  34  -3.613  -9.539   7.322
  286   2HG   PRO  34          1HG       PRO  34  -2.798  -9.185   8.855
  287   1HD   PRO  34          2HD       PRO  34  -2.825  -7.492   6.689
  288   2HD   PRO  34          1HD       PRO  34  -1.574  -7.485   7.947
  289    H    GLY  35           H        GLY  35  -0.152 -10.628   3.903
  290   1HA   GLY  35          2HA       GLY  35  -0.975 -11.632   2.005
  291   2HA   GLY  35          1HA       GLY  35  -2.214 -12.359   3.017
  292    H    HIS  36           H        HIS  36  -4.208 -11.350   3.241
  293    HA   HIS  36           HA       HIS  36  -4.752  -8.807   2.034
  294   1HB   HIS  36          2HB       HIS  36  -4.672 -10.606   0.139
  295   2HB   HIS  36          1HB       HIS  36  -6.242 -11.088   0.777
  296    HD2  HIS  36           2HD      HIS  36  -8.319  -9.680  -0.187
  297    HE1  HIS  36           1HE      HIS  36  -6.078  -6.462  -1.782
  298    HE2  HIS  36           2HE      HIS  36  -8.405  -7.405  -1.432
  299    H    LEU  37           H        LEU  37  -5.321  -8.706   4.331
  300    HA   LEU  37           HA       LEU  37  -7.450 -10.186   5.436
  301   1HB   LEU  37          2HB       LEU  37  -7.300  -8.771   7.286
  302   2HB   LEU  37          1HB       LEU  37  -5.671  -8.806   6.638
  303    HG   LEU  37           HG       LEU  37  -7.661  -6.577   6.184
  304   1HD1  LEU  37          1HD1      LEU  37  -5.558  -7.033   8.232
  305   2HD1  LEU  37          2HD1      LEU  37  -7.127  -6.241   8.377
  306   3HD1  LEU  37          3HD1      LEU  37  -5.781  -5.400   7.606
  307   1HD2  LEU  37          1HD2      LEU  37  -5.640  -5.356   5.388
  308   2HD2  LEU  37          2HD2      LEU  37  -6.129  -6.694   4.349
  309   3HD2  LEU  37          3HD2      LEU  37  -4.757  -6.880   5.442
  310    H    ASN  38           H        ASN  38  -7.331  -7.224   3.575
  311    HA   ASN  38           HA       ASN  38  -9.900  -7.347   2.582
  312   1HB   ASN  38          2HB       ASN  38 -11.049  -5.546   3.885
  313   2HB   ASN  38          1HB       ASN  38 -10.774  -7.016   4.812
  314   1HD2  ASN  38          1HD2      ASN  38  -9.156  -3.941   4.077
  315   2HD2  ASN  38          2HD2      ASN  38  -8.577  -3.670   5.681
  316    H    SER  39           H        SER  39 -10.647  -4.755   2.218
  317    HA   SER  39           HA       SER  39  -8.555  -3.786   0.506
  318   1HB   SER  39          2HB       SER  39 -11.396  -3.079   1.036
  319   2HB   SER  39          1HB       SER  39 -10.365  -1.805   0.386
  320    HG   SER  39           HG       SER  39 -10.775  -2.735  -1.454
  321    H    TYR  40           H        TYR  40  -6.849  -2.863   1.456
  322    HA   TYR  40           HA       TYR  40  -7.194  -1.169   3.795
  323   1HB   TYR  40          2HB       TYR  40  -5.303  -2.933   3.350
  324   2HB   TYR  40          1HB       TYR  40  -4.557  -1.622   2.445
  325    HD1  TYR  40           1HD      TYR  40  -4.781  -3.148   5.587
  326    HD2  TYR  40           2HD      TYR  40  -4.447   0.682   3.763
  327    HE1  TYR  40           1HE      TYR  40  -3.858  -2.238   7.677
  328    HE2  TYR  40           2HE      TYR  40  -3.525   1.601   5.848
  329    HH   TYR  40           HH       TYR  40  -2.278  -0.170   8.246
  330    H    THR  41           H        THR  41  -7.595   0.921   3.574
  331    HA   THR  41           HA       THR  41  -6.546   2.317   1.199
  332    HB   THR  41           HB       THR  41  -8.943   3.185   2.813
  333    HG1  THR  41           1HG      THR  41  -9.305   2.074   0.288
  334   1HG2  THR  41          1HG2      THR  41  -9.430   4.584   0.909
  335   2HG2  THR  41          2HG2      THR  41  -8.081   3.891   0.007
  336   3HG2  THR  41          3HG2      THR  41  -7.772   4.889   1.429
  337    H    ILE  42           H        ILE  42  -5.235   4.012   1.494
  338    HA   ILE  42           HA       ILE  42  -4.717   4.882   4.251
  339    HB   ILE  42           HB       ILE  42  -3.039   5.194   1.757
  340   1HG1  ILE  42          2HG1      ILE  42  -1.802   3.786   3.943
  341   2HG1  ILE  42          1HG1      ILE  42  -3.349   3.041   3.555
  342   1HG2  ILE  42          1HG2      ILE  42  -2.899   6.488   4.382
  343   2HG2  ILE  42          2HG2      ILE  42  -2.190   6.966   2.839
  344   3HG2  ILE  42          3HG2      ILE  42  -1.387   5.758   3.842
  345   1HD1  ILE  42          1HD1      ILE  42  -1.155   3.587   1.571
  346   2HD1  ILE  42          2HD1      ILE  42  -2.669   2.738   1.264
  347   3HD1  ILE  42          3HD1      ILE  42  -1.467   2.035   2.345
  348    H    LYS  43           H        LYS  43  -5.192   6.885   4.916
  349    HA   LYS  43           HA       LYS  43  -5.737   8.961   2.909
  350   1HB   LYS  43          2HB       LYS  43  -7.503   8.248   5.256
  351   2HB   LYS  43          1HB       LYS  43  -7.689   9.701   4.284
  352   1HG   LYS  43          2HG       LYS  43  -7.897   8.114   2.288
  353   2HG   LYS  43          1HG       LYS  43  -8.139   6.848   3.493
  354   1HD   LYS  43          2HD       LYS  43 -10.252   7.473   3.819
  355   2HD   LYS  43          1HD       LYS  43  -9.770   9.148   4.088
  356   1HE   LYS  43          2HE       LYS  43 -10.133   9.747   1.915
  357   2HE   LYS  43          1HE       LYS  43  -9.770   8.136   1.297
  358   1HZ   LYS  43          1HZ       LYS  43 -12.168   8.462   2.942
  359   2HZ   LYS  43          2HZ       LYS  43 -11.888   7.427   1.634
  360   3HZ   LYS  43          3HZ       LYS  43 -12.211   9.064   1.361
  361    H    GLY  44           H        GLY  44  -6.454  11.018   4.570
  362   1HA   GLY  44          2HA       GLY  44  -5.731  12.328   6.402
  363   2HA   GLY  44          1HA       GLY  44  -4.379  11.229   6.625
  364    H    LEU  45           H        LEU  45  -4.628  11.887   3.388
  365    HA   LEU  45           HA       LEU  45  -2.264  13.492   3.403
  366   1HB   LEU  45          2HB       LEU  45  -4.072  12.873   1.068
  367   2HB   LEU  45          1HB       LEU  45  -2.408  13.419   0.990
  368    HG   LEU  45           HG       LEU  45  -2.141  11.177   0.562
  369   1HD1  LEU  45          1HD1      LEU  45  -1.357  10.016   2.583
  370   2HD1  LEU  45          2HD1      LEU  45  -2.079  11.284   3.573
  371   3HD1  LEU  45          3HD1      LEU  45  -0.751  11.668   2.479
  372   1HD2  LEU  45          1HD2      LEU  45  -4.208  10.221   0.608
  373   2HD2  LEU  45          2HD2      LEU  45  -4.593  10.861   2.204
  374   3HD2  LEU  45          3HD2      LEU  45  -3.508   9.480   2.047
  375    H    LYS  46           H        LYS  46  -2.550  15.315   1.402
  376    HA   LYS  46           HA       LYS  46  -4.756  17.068   2.212
  377   1HB   LYS  46          2HB       LYS  46  -1.963  18.146   1.909
  378   2HB   LYS  46          1HB       LYS  46  -3.366  18.938   2.608
  379   1HG   LYS  46          2HG       LYS  46  -3.163  17.844   4.607
  380   2HG   LYS  46          1HG       LYS  46  -2.340  16.457   3.890
  381   1HD   LYS  46          2HD       LYS  46  -0.446  18.183   3.415
  382   2HD   LYS  46          1HD       LYS  46  -1.242  19.123   4.679
  383   1HE   LYS  46          2HE       LYS  46  -1.118  16.995   6.090
  384   2HE   LYS  46          1HE       LYS  46   0.022  16.405   4.879
  385   1HZ   LYS  46          1HZ       LYS  46   0.726  19.021   5.695
  386   2HZ   LYS  46          2HZ       LYS  46   1.629  17.595   5.800
  387   3HZ   LYS  46          3HZ       LYS  46   0.574  18.023   7.051
  388    HA   PRO  47           HA       PRO  47  -5.098  17.855  -2.117
  389   1HB   PRO  47          2HB       PRO  47  -6.199  20.333  -2.117
  390   2HB   PRO  47          1HB       PRO  47  -7.099  18.885  -1.651
  391   1HG   PRO  47          2HG       PRO  47  -5.779  20.936   0.086
  392   2HG   PRO  47          1HG       PRO  47  -7.371  20.175   0.267
  393   1HD   PRO  47          2HD       PRO  47  -5.208  19.382   1.688
  394   2HD   PRO  47          1HD       PRO  47  -6.489  18.257   1.190
  395    H    GLY  48           H        GLY  48  -3.468  18.280  -3.455
  396   1HA   GLY  48          2HA       GLY  48  -2.232  19.980  -4.664
  397   2HA   GLY  48          1HA       GLY  48  -2.029  20.836  -3.143
  398    H    VAL  49           H        VAL  49  -1.525  18.003  -1.963
  399    HA   VAL  49           HA       VAL  49   1.290  17.848  -2.829
  400    HB   VAL  49           HB       VAL  49   1.190  18.762  -0.588
  401   1HG1  VAL  49          1HG1      VAL  49  -0.224  18.116   1.003
  402   2HG1  VAL  49          2HG1      VAL  49   0.159  16.413   0.768
  403   3HG1  VAL  49          3HG1      VAL  49  -1.041  17.195  -0.260
  404   1HG2  VAL  49          1HG2      VAL  49   2.034  16.084   0.198
  405   2HG2  VAL  49          2HG2      VAL  49   2.963  17.580   0.087
  406   3HG2  VAL  49          3HG2      VAL  49   2.695  16.598  -1.354
  407    H    VAL  50           H        VAL  50   1.922  15.963  -3.632
  408    HA   VAL  50           HA       VAL  50   0.142  13.657  -3.363
  409    HB   VAL  50           HB       VAL  50   2.468  14.142  -5.230
  410   1HG1  VAL  50          1HG1      VAL  50   2.556  11.868  -5.134
  411   2HG1  VAL  50          2HG1      VAL  50   1.263  12.037  -6.323
  412   3HG1  VAL  50          3HG1      VAL  50   0.872  11.714  -4.633
  413   1HG2  VAL  50          1HG2      VAL  50  -0.012  13.652  -6.539
  414   2HG2  VAL  50          2HG2      VAL  50   0.987  15.105  -6.574
  415   3HG2  VAL  50          3HG2      VAL  50  -0.252  14.917  -5.332
  416    H    TYR  51           H        TYR  51   0.789  11.701  -2.541
  417    HA   TYR  51           HA       TYR  51   3.333  11.734  -1.064
  418   1HB   TYR  51          2HB       TYR  51   0.756  10.253  -0.516
  419   2HB   TYR  51          1HB       TYR  51   2.251   9.981   0.374
  420    HD1  TYR  51           1HD      TYR  51  -0.090  12.730  -0.570
  421    HD2  TYR  51           2HD      TYR  51   2.651  11.204   2.301
  422    HE1  TYR  51           1HE      TYR  51  -0.671  14.569   0.952
  423    HE2  TYR  51           2HE      TYR  51   2.079  13.041   3.832
  424    HH   TYR  51           HH       TYR  51  -0.119  14.598   4.100
  425    H    GLU  52           H        GLU  52   4.875  10.386  -1.680
  426    HA   GLU  52           HA       GLU  52   4.269   8.361  -3.686
  427   1HB   GLU  52          2HB       GLU  52   6.473   8.452  -4.306
  428   2HB   GLU  52          1HB       GLU  52   6.305  10.056  -3.611
  429   1HG   GLU  52          2HG       GLU  52   7.987   9.613  -2.253
  430   2HG   GLU  52          1HG       GLU  52   7.024   8.343  -1.499
  431    H    GLY  53           H        GLY  53   5.047   6.143  -3.460
  432   1HA   GLY  53          2HA       GLY  53   5.882   5.206  -0.881
  433   2HA   GLY  53          1HA       GLY  53   4.190   4.866  -1.194
  434    H    GLN  54           H        GLN  54   6.362   3.024  -0.782
  435    HA   GLN  54           HA       GLN  54   6.125   1.485  -3.267
  436   1HB   GLN  54          2HB       GLN  54   8.554   0.701  -2.147
  437   2HB   GLN  54          1HB       GLN  54   8.338   1.684  -3.590
  438   1HG   GLN  54          2HG       GLN  54   8.452   3.703  -2.267
  439   2HG   GLN  54          1HG       GLN  54   8.585   2.751  -0.789
  440   1HE2  GLN  54          1HE2      GLN  54  10.298   4.543  -2.868
  441   2HE2  GLN  54          2HE2      GLN  54  11.858   3.821  -2.696
  442    H    LEU  55           H        LEU  55   5.482  -0.573  -2.943
  443    HA   LEU  55           HA       LEU  55   5.148  -1.447  -0.165
  444   1HB   LEU  55          2HB       LEU  55   3.133  -1.424  -1.496
  445   2HB   LEU  55          1HB       LEU  55   3.899  -2.379  -2.747
  446    HG   LEU  55           HG       LEU  55   4.111  -4.230  -1.008
  447   1HD1  LEU  55          1HD1      LEU  55   2.113  -2.473   0.408
  448   2HD1  LEU  55          2HD1      LEU  55   3.726  -2.895   0.981
  449   3HD1  LEU  55          3HD1      LEU  55   2.489  -4.143   0.831
  450   1HD2  LEU  55          1HD2      LEU  55   1.231  -3.741  -1.420
  451   2HD2  LEU  55          2HD2      LEU  55   2.218  -5.144  -1.831
  452   3HD2  LEU  55          3HD2      LEU  55   2.242  -3.715  -2.864
  453    H    ILE  56           H        ILE  56   6.862  -2.567   0.548
  454    HA   ILE  56           HA       ILE  56   8.316  -4.332  -1.259
  455    HB   ILE  56           HB       ILE  56   8.861  -3.533   1.602
  456   1HG1  ILE  56          2HG1      ILE  56  10.995  -2.743   0.082
  457   2HG1  ILE  56          1HG1      ILE  56   9.659  -2.521  -1.044
  458   1HG2  ILE  56          1HG2      ILE  56   9.605  -5.857   1.049
  459   2HG2  ILE  56          2HG2      ILE  56  10.912  -4.757   1.489
  460   3HG2  ILE  56          3HG2      ILE  56  10.636  -5.167  -0.204
  461   1HD1  ILE  56          1HD1      ILE  56   8.594  -0.978   0.375
  462   2HD1  ILE  56          2HD1      ILE  56  10.299  -0.529   0.359
  463   3HD1  ILE  56          3HD1      ILE  56   9.629  -1.401   1.738
  464    H    SER  57           H        SER  57   8.357  -6.519  -1.120
  465    HA   SER  57           HA       SER  57   6.516  -7.739   0.824
  466   1HB   SER  57          2HB       SER  57   5.434  -8.615  -0.910
  467   2HB   SER  57          1HB       SER  57   6.583  -7.867  -2.022
  468    HG   SER  57           HG       SER  57   7.044 -10.328  -0.686
  469    H    ILE  58           H        ILE  58   7.373  -9.000   2.225
  470    HA   ILE  58           HA       ILE  58   9.931 -10.338   1.647
  471    HB   ILE  58           HB       ILE  58   8.901  -9.694   4.407
  472   1HG1  ILE  58          2HG1      ILE  58  11.024  -7.987   3.913
  473   2HG1  ILE  58          1HG1      ILE  58  10.116  -7.943   2.404
  474   1HG2  ILE  58          1HG2      ILE  58  10.524 -11.313   4.654
  475   2HG2  ILE  58          2HG2      ILE  58  11.483  -9.838   4.767
  476   3HG2  ILE  58          3HG2      ILE  58  11.447 -10.752   3.260
  477   1HD1  ILE  58          1HD1      ILE  58   8.200  -7.111   3.458
  478   2HD1  ILE  58          2HD1      ILE  58   9.542  -6.213   4.168
  479   3HD1  ILE  58          3HD1      ILE  58   8.794  -7.536   5.063
  480    H    GLN  59           H        GLN  59   9.885 -12.496   1.584
  481    HA   GLN  59           HA       GLN  59   7.597 -13.865   2.839
  482   1HB   GLN  59          2HB       GLN  59   8.938 -15.317   0.684
  483   2HB   GLN  59          1HB       GLN  59   7.225 -15.069   0.975
  484   1HG   GLN  59          2HG       GLN  59   7.447 -12.789   0.033
  485   2HG   GLN  59          1HG       GLN  59   9.125 -13.157  -0.361
  486   1HE2  GLN  59          1HE2      GLN  59   8.312 -15.989  -0.946
  487   2HE2  GLN  59          2HE2      GLN  59   7.612 -15.922  -2.523
  488    H    GLN  60           H        GLN  60   8.176 -16.364   2.949
  489    HA   GLN  60           HA       GLN  60  10.172 -16.604   4.932
  490   1HB   GLN  60          2HB       GLN  60   9.748 -19.089   4.638
  491   2HB   GLN  60          1HB       GLN  60   8.348 -18.108   5.051
  492   1HG   GLN  60          2HG       GLN  60   8.412 -18.137   2.267
  493   2HG   GLN  60          1HG       GLN  60   8.809 -19.783   2.757
  494   1HE2  GLN  60          1HE2      GLN  60   6.512 -19.303   1.395
  495   2HE2  GLN  60          2HE2      GLN  60   5.147 -19.515   2.433
  496    H    TYR  61           H        TYR  61  10.265 -16.829   1.500
  497    HA   TYR  61           HA       TYR  61  12.748 -18.331   1.449
  498   1HB   TYR  61          2HB       TYR  61  10.765 -17.420  -0.543
  499   2HB   TYR  61          1HB       TYR  61  12.433 -17.466  -1.105
  500    HD1  TYR  61           1HD      TYR  61  13.250 -19.446  -1.979
  501    HD2  TYR  61           2HD      TYR  61   9.963 -19.598   0.719
  502    HE1  TYR  61           1HE      TYR  61  13.064 -21.869  -2.351
  503    HE2  TYR  61           2HE      TYR  61   9.768 -22.021   0.355
  504    HH   TYR  61           HH       TYR  61  11.958 -23.727  -1.866
  505    H    GLY  62           H        GLY  62  11.932 -15.200   2.077
  506   1HA   GLY  62          2HA       GLY  62  13.339 -13.395   2.448
  507   2HA   GLY  62          1HA       GLY  62  14.649 -14.306   1.719
  508    H    HIS  63           H        HIS  63  11.667 -13.955  -0.014
  509    HA   HIS  63           HA       HIS  63  12.951 -12.748  -2.234
  510   1HB   HIS  63          2HB       HIS  63  10.150 -13.474  -1.529
  511   2HB   HIS  63          1HB       HIS  63  10.389 -12.313  -2.831
  512    HD2  HIS  63           2HD      HIS  63  12.222 -13.383  -4.892
  513    HE1  HIS  63           1HE      HIS  63  10.877 -17.313  -4.089
  514    HE2  HIS  63           2HE      HIS  63  12.283 -15.870  -5.626
  515    H    GLN  64           H        GLN  64  11.905 -10.714  -3.259
  516    HA   GLN  64           HA       GLN  64  11.212  -8.682  -1.297
  517   1HB   GLN  64          2HB       GLN  64  13.776  -8.751  -2.823
  518   2HB   GLN  64          1HB       GLN  64  13.012  -7.194  -2.530
  519   1HG   GLN  64          2HG       GLN  64  12.976  -8.549  -0.077
  520   2HG   GLN  64          1HG       GLN  64  14.579  -8.811  -0.763
  521   1HE2  GLN  64          1HE2      GLN  64  12.205  -6.265  -0.130
  522   2HE2  GLN  64          2HE2      GLN  64  13.362  -5.029   0.218
  523    H    GLU  65           H        GLU  65   9.224  -8.550  -2.328
  524    HA   GLU  65           HA       GLU  65   9.209  -7.678  -5.130
  525   1HB   GLU  65          2HB       GLU  65   7.656  -9.517  -3.818
  526   2HB   GLU  65          1HB       GLU  65   6.636  -8.088  -3.761
  527   1HG   GLU  65          2HG       GLU  65   7.429  -8.069  -6.359
  528   2HG   GLU  65          1HG       GLU  65   7.361  -9.799  -6.023
  529    H    VAL  66           H        VAL  66   9.190  -5.541  -5.464
  530    HA   VAL  66           HA       VAL  66   7.661  -3.880  -3.584
  531    HB   VAL  66           HB       VAL  66   9.908  -3.511  -2.960
  532   1HG1  VAL  66          1HG1      VAL  66  11.708  -3.441  -4.321
  533   2HG1  VAL  66          2HG1      VAL  66  10.843  -2.613  -5.616
  534   3HG1  VAL  66          3HG1      VAL  66  10.634  -4.349  -5.381
  535   1HG2  VAL  66          1HG2      VAL  66   8.289  -1.492  -3.681
  536   2HG2  VAL  66          2HG2      VAL  66   9.675  -1.146  -4.717
  537   3HG2  VAL  66          3HG2      VAL  66   9.883  -1.248  -2.968
  538    H    THR  67           H        THR  67   6.472  -2.263  -4.393
  539    HA   THR  67           HA       THR  67   6.684  -1.612  -7.244
  540    HB   THR  67           HB       THR  67   4.064  -2.226  -5.861
  541    HG1  THR  67           1HG      THR  67   5.857  -3.864  -7.018
  542   1HG2  THR  67          1HG2      THR  67   4.182  -2.132  -8.789
  543   2HG2  THR  67          2HG2      THR  67   4.502  -0.585  -8.006
  544   3HG2  THR  67          3HG2      THR  67   2.997  -1.443  -7.679
  545    H    ARG  68           H        ARG  68   6.708   0.526  -7.547
  546    HA   ARG  68           HA       ARG  68   6.139   2.294  -5.323
  547   1HB   ARG  68          2HB       ARG  68   6.844   3.260  -8.071
  548   2HB   ARG  68          1HB       ARG  68   7.272   3.942  -6.508
  549   1HG   ARG  68          2HG       ARG  68   8.442   1.401  -6.574
  550   2HG   ARG  68          1HG       ARG  68   8.738   2.115  -8.160
  551   1HD   ARG  68          2HD       ARG  68  10.316   3.420  -7.307
  552   2HD   ARG  68          1HD       ARG  68   9.167   4.095  -6.154
  553    HE   ARG  68           HE       ARG  68   9.791   2.321  -4.624
  554   1HH1  ARG  68          1HH1      ARG  68  11.869   2.815  -7.379
  555   2HH1  ARG  68          2HH1      ARG  68  13.247   2.079  -6.632
  556   1HH2  ARG  68          1HH2      ARG  68  11.602   1.351  -3.635
  557   2HH2  ARG  68          2HH2      ARG  68  13.096   1.247  -4.505
  558    H    PHE  69           H        PHE  69   4.571   3.932  -5.303
  559    HA   PHE  69           HA       PHE  69   2.692   4.178  -7.480
  560   1HB   PHE  69          2HB       PHE  69   0.779   3.724  -5.735
  561   2HB   PHE  69          1HB       PHE  69   1.517   2.394  -6.621
  562    HD1  PHE  69           1HD      PHE  69   2.095   4.314  -3.462
  563    HD2  PHE  69           2HD      PHE  69   2.069   0.532  -5.414
  564    HE1  PHE  69           1HE      PHE  69   2.671   3.217  -1.332
  565    HE2  PHE  69           2HE      PHE  69   2.641  -0.571  -3.292
  566    HZ   PHE  69           HZ       PHE  69   2.940   0.770  -1.249
  567    H    ASP  70           H        ASP  70   1.431   6.002  -7.394
  568    HA   ASP  70           HA       ASP  70   2.099   7.904  -5.248
  569   1HB   ASP  70          2HB       ASP  70   0.978   8.638  -7.952
  570   2HB   ASP  70          1HB       ASP  70   1.802   9.679  -6.795
  571    H    PHE  71           H        PHE  71   0.505   8.335  -3.846
  572    HA   PHE  71           HA       PHE  71  -2.268   8.085  -4.795
  573   1HB   PHE  71          2HB       PHE  71  -2.925   6.985  -2.768
  574   2HB   PHE  71          1HB       PHE  71  -1.542   6.116  -3.431
  575    HD1  PHE  71           1HD      PHE  71  -2.797   8.104  -0.667
  576    HD2  PHE  71           2HD      PHE  71   0.663   6.301  -2.367
  577    HE1  PHE  71           1HE      PHE  71  -1.622   8.347   1.480
  578    HE2  PHE  71           2HE      PHE  71   1.845   6.541  -0.222
  579    HZ   PHE  71           HZ       PHE  71   0.702   7.564   1.705
  580    H    THR  72           H        THR  72  -3.810   9.408  -3.843
  581    HA   THR  72           HA       THR  72  -2.915  11.460  -1.963
  582    HB   THR  72           HB       THR  72  -3.945  13.259  -3.300
  583    HG1  THR  72           1HG      THR  72  -5.133  12.736  -4.962
  584   1HG2  THR  72          1HG2      THR  72  -1.527  11.835  -3.965
  585   2HG2  THR  72          2HG2      THR  72  -1.837  13.571  -3.966
  586   3HG2  THR  72          3HG2      THR  72  -2.206  12.609  -5.398
  587    H    THR  73           H        THR  73  -4.795  12.728  -1.104
  588    HA   THR  73           HA       THR  73  -7.112  10.944  -0.846
  589    HB   THR  73           HB       THR  73  -5.882  11.667   1.230
  590    HG1  THR  73           1HG      THR  73  -7.809  11.093   1.904
  591   1HG2  THR  73          1HG2      THR  73  -7.195  14.328   0.673
  592   2HG2  THR  73          2HG2      THR  73  -5.468  14.007   0.517
  593   3HG2  THR  73          3HG2      THR  73  -6.247  13.897   2.095
  594    H    THR  74           H        THR  74  -6.161  14.110  -1.931
  595    HA   THR  74           HA       THR  74  -8.702  14.477  -3.222
  596    HB   THR  74           HB       THR  74  -9.403  15.326  -1.100
  597    HG1  THR  74           1HG      THR  74 -10.221  16.728  -2.521
  598   1HG2  THR  74          1HG2      THR  74  -7.950  17.485  -0.369
  599   2HG2  THR  74          2HG2      THR  74  -6.682  16.455  -1.034
  600   3HG2  THR  74          3HG2      THR  74  -7.700  15.865   0.280
  601    H    SER  75           H        SER  75  -5.599  14.525  -3.454
  602    HA   SER  75           HA       SER  75  -5.235  17.123  -4.732
  603   1HB   SER  75          2HB       SER  75  -3.456  16.254  -3.245
  604   2HB   SER  75          1HB       SER  75  -3.251  14.873  -4.323
  605    HG   SER  75           HG       SER  75  -2.985  16.740  -5.958
  606    H    THR  76           H        THR  76  -3.765  14.118  -5.826
  607    HA   THR  76           HA       THR  76  -5.422  13.704  -8.079
  608    HB   THR  76           HB       THR  76  -4.597  15.638  -9.109
  609    HG1  THR  76           1HG      THR  76  -3.206  14.795 -10.765
  610   1HG2  THR  76          1HG2      THR  76  -2.192  15.065  -7.549
  611   2HG2  THR  76          2HG2      THR  76  -2.838  16.608  -8.105
  612   3HG2  THR  76          3HG2      THR  76  -1.851  15.625  -9.186
  613    H    SER  77           H        SER  77  -5.268  11.542  -7.889
  614    HA   SER  77           HA       SER  77  -2.920  10.217  -8.772
  615   1HB   SER  77          2HB       SER  77  -3.365  10.468  -5.852
  616   2HB   SER  77          1HB       SER  77  -2.935   8.860  -6.437
  617    HG   SER  77           HG       SER  77  -1.391  10.773  -7.573
  618    H    THR  78           H        THR  78  -4.959   8.833  -6.275
  619    HA   THR  78           HA       THR  78  -6.881   7.724  -8.082
  620    HB   THR  78           HB       THR  78  -5.264   6.157  -8.741
  621    HG1  THR  78           1HG      THR  78  -6.582   4.928  -6.532
  622   1HG2  THR  78          1HG2      THR  78  -3.441   6.464  -7.324
  623   2HG2  THR  78          2HG2      THR  78  -3.993   4.842  -6.906
  624   3HG2  THR  78          3HG2      THR  78  -4.404   6.208  -5.868
  625    HA   PRO  79           HA       PRO  79  -8.678   7.669  -3.971
  626   1HB   PRO  79          2HB       PRO  79 -11.242   7.717  -4.716
  627   2HB   PRO  79          1HB       PRO  79 -10.206   9.137  -4.908
  628   1HG   PRO  79          2HG       PRO  79 -11.110   7.155  -6.950
  629   2HG   PRO  79          1HG       PRO  79 -10.906   8.909  -7.101
  630   1HD   PRO  79          2HD       PRO  79  -9.078   6.991  -7.955
  631   2HD   PRO  79          1HD       PRO  79  -8.713   8.703  -7.672
  632    H    GLY  80           H        GLY  80  -7.636   5.241  -4.626
  633   1HA   GLY  80          2HA       GLY  80  -8.992   3.377  -3.237
  634   2HA   GLY  80          1HA       GLY  80  -9.747   3.262  -4.818
  635    H    SER  81           H        SER  81  -9.010   1.123  -5.050
  636    HA   SER  81           HA       SER  81  -6.153   0.621  -5.073
  637   1HB   SER  81          2HB       SER  81  -8.516  -1.181  -5.650
  638   2HB   SER  81          1HB       SER  81  -6.834  -1.714  -5.631
  639    HG   SER  81           HG       SER  81  -6.758  -1.464  -3.488
  640    H    ARG  82           H        ARG  82  -4.907   0.229  -6.848
  641    HA   ARG  82           HA       ARG  82  -5.824   1.310  -9.344
  642   1HB   ARG  82          2HB       ARG  82  -3.218  -0.073  -8.680
  643   2HB   ARG  82          1HB       ARG  82  -3.546   0.869 -10.127
  644   1HG   ARG  82          2HG       ARG  82  -3.649   2.886  -8.914
  645   2HG   ARG  82          1HG       ARG  82  -3.732   2.038  -7.369
  646   1HD   ARG  82          2HD       ARG  82  -1.367   1.838  -9.217
  647   2HD   ARG  82          1HD       ARG  82  -1.500   3.077  -7.970
  648    HE   ARG  82           HE       ARG  82  -1.367   1.379  -6.317
  649   1HH1  ARG  82          1HH1      ARG  82  -0.902   0.219  -9.569
  650   2HH1  ARG  82          2HH1      ARG  82  -0.140  -1.254  -9.072
  651   1HH2  ARG  82          1HH2      ARG  82  -0.366  -0.560  -5.654
  652   2HH2  ARG  82          2HH2      ARG  82   0.166  -1.697  -6.847
  653    H    SER  83           H        SER  83  -4.854  -0.088 -11.352
  654    HA   SER  83           HA       SER  83  -6.340  -2.618 -11.226
  655   1HB   SER  83          2HB       SER  83  -6.620  -2.454 -13.602
  656   2HB   SER  83          1HB       SER  83  -6.998  -0.870 -12.923
  657    HG   SER  83           HG       SER  83  -4.472  -1.587 -13.997
  658    H    HIS  84           H        HIS  84  -3.215  -1.443 -11.184
  659    HA   HIS  84           HA       HIS  84  -1.878  -3.338 -12.811
  660   1HB   HIS  84          2HB       HIS  84  -1.153  -1.205 -10.989
  661   2HB   HIS  84          1HB       HIS  84  -0.097  -2.599 -10.784
  662    HD2  HIS  84           2HD      HIS  84   1.602  -3.154 -12.897
  663    HE1  HIS  84           1HE      HIS  84   0.550   0.285 -15.129
  664    HE2  HIS  84           2HE      HIS  84   2.081  -1.732 -15.014
  665    H    HIS  85           H        HIS  85  -1.439  -5.408 -12.479
  666    HA   HIS  85           HA       HIS  85  -1.247  -6.446  -9.757
  667   1HB   HIS  85          2HB       HIS  85  -3.335  -7.177 -11.745
  668   2HB   HIS  85          1HB       HIS  85  -2.636  -8.483 -10.794
  669    HD2  HIS  85           2HD      HIS  85  -2.955  -8.140  -7.948
  670    HE1  HIS  85           1HE      HIS  85  -6.255  -5.543  -8.464
  671    HE2  HIS  85           2HE      HIS  85  -5.064  -7.099  -6.855
  672    H    HIS  86           H        HIS  86  -1.565  -8.092 -12.881
  673    HA   HIS  86           HA       HIS  86  -0.164  -9.417 -14.079
  674   1HB   HIS  86          2HB       HIS  86   1.415  -7.242 -13.269
  675   2HB   HIS  86          1HB       HIS  86   2.389  -8.673 -12.953
  676    HD2  HIS  86           2HD      HIS  86   3.313  -6.709 -15.328
  677    HE1  HIS  86           1HE      HIS  86   1.713  -9.692 -17.867
  678    HE2  HIS  86           2HE      HIS  86   3.380  -7.790 -17.685
  679    H    HIS  87           H        HIS  87   1.846  -9.150 -11.163
  680    HA   HIS  87           HA       HIS  87   2.545 -10.677  -9.633
  681   1HB   HIS  87          2HB       HIS  87  -0.157 -11.308 -10.045
  682   2HB   HIS  87          1HB       HIS  87   0.695 -12.845 -10.140
  683    HD2  HIS  87           2HD      HIS  87   2.851 -12.459  -7.768
  684    HE1  HIS  87           1HE      HIS  87  -0.544 -11.605  -5.391
  685    HE2  HIS  87           2HE      HIS  87   1.853 -12.430  -5.374
  686    H    HIS  88           H        HIS  88   3.059 -10.835 -12.665
  687    HA   HIS  88           HA       HIS  88   4.308 -13.503 -12.613
  688   1HB   HIS  88          2HB       HIS  88   2.599 -12.240 -14.637
  689   2HB   HIS  88          1HB       HIS  88   4.095 -12.902 -15.289
  690    HD2  HIS  88           2HD      HIS  88   4.330 -15.661 -13.692
  691    HE1  HIS  88           1HE      HIS  88   0.360 -16.330 -14.996
  692    HE2  HIS  88           2HE      HIS  88   2.509 -17.431 -14.224
  693    H    HIS  89           H        HIS  89   5.963 -13.427 -14.695
  694    HA   HIS  89           HA       HIS  89   7.843 -11.304 -13.958
  695   1HB   HIS  89          2HB       HIS  89   8.247 -13.979 -14.152
  696   2HB   HIS  89          1HB       HIS  89   8.735 -13.467 -15.764
  697    HD2  HIS  89           2HD      HIS  89  11.373 -14.164 -15.014
  698    HE1  HIS  89           1HE      HIS  89  11.800 -10.822 -12.452
  699    HE2  HIS  89           2HE      HIS  89  12.980 -12.810 -13.494
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  -9.898 -23.831  15.649
    2   2H    MET   1          2HT       MET   1  -9.444 -24.546  17.112
    3   3H    MET   1          3HT       MET   1 -10.019 -22.956  17.092
    4    HA   MET   1           HA       MET   1 -11.651 -25.258  16.214
    5   1HB   MET   1          2HB       MET   1 -12.654 -25.270  18.429
    6   2HB   MET   1          1HB       MET   1 -10.921 -25.530  18.563
    7   1HG   MET   1          2HG       MET   1 -11.162 -22.800  18.779
    8   2HG   MET   1          1HG       MET   1 -12.581 -23.404  19.634
    9   1HE   MET   1          1HE       MET   1 -12.778 -23.975  21.584
   10   2HE   MET   1          2HE       MET   1 -11.610 -23.330  22.738
   11   3HE   MET   1          3HE       MET   1 -11.749 -25.073  22.506
   12    H    ARG   2           H        ARG   2 -11.109 -22.224  15.603
   13    HA   ARG   2           HA       ARG   2 -13.837 -21.229  16.000
   14   1HB   ARG   2          2HB       ARG   2 -11.256 -19.872  15.235
   15   2HB   ARG   2          1HB       ARG   2 -12.814 -19.062  15.131
   16   1HG   ARG   2          2HG       ARG   2 -12.327 -20.337  17.712
   17   2HG   ARG   2          1HG       ARG   2 -11.170 -19.067  17.309
   18   1HD   ARG   2          2HD       ARG   2 -13.467 -17.858  16.593
   19   2HD   ARG   2          1HD       ARG   2 -14.058 -18.896  17.890
   20    HE   ARG   2           HE       ARG   2 -11.953 -16.856  18.194
   21   1HH1  ARG   2          1HH1      ARG   2 -14.502 -18.842  19.500
   22   2HH1  ARG   2          2HH1      ARG   2 -14.448 -18.106  21.068
   23   1HH2  ARG   2          1HH2      ARG   2 -11.875 -15.881  20.253
   24   2HH2  ARG   2          2HH2      ARG   2 -12.955 -16.424  21.495
   25    H    GLY   3           H        GLY   3 -12.498 -23.135  13.846
   26   1HA   GLY   3          2HA       GLY   3 -13.624 -23.693  11.816
   27   2HA   GLY   3          1HA       GLY   3 -14.082 -22.006  11.641
   28    H    SER   4           H        SER   4 -10.862 -22.397  12.603
   29    HA   SER   4           HA       SER   4  -9.890 -22.345   9.833
   30   1HB   SER   4          2HB       SER   4  -9.744 -20.181  11.814
   31   2HB   SER   4          1HB       SER   4  -8.191 -20.581  11.079
   32    HG   SER   4           HG       SER   4 -10.568 -20.055   9.620
   33    H    ASN   5           H        ASN   5  -8.274 -23.725   9.526
   34    HA   ASN   5           HA       ASN   5  -7.192 -25.243  11.674
   35   1HB   ASN   5          2HB       ASN   5  -5.545 -25.583   9.399
   36   2HB   ASN   5          1HB       ASN   5  -6.814 -26.654   9.982
   37   1HD2  ASN   5          1HD2      ASN   5  -8.991 -26.255   9.214
   38   2HD2  ASN   5          2HD2      ASN   5  -9.220 -25.600   7.632
   39    H    ALA   6           H        ALA   6  -5.248 -23.552   9.231
   40    HA   ALA   6           HA       ALA   6  -3.017 -23.255  10.915
   41   1HB   ALA   6          1HB       ALA   6  -3.095 -23.190   8.372
   42   2HB   ALA   6          2HB       ALA   6  -2.020 -22.040   9.168
   43   3HB   ALA   6          3HB       ALA   6  -3.578 -21.503   8.541
   44    HA   PRO   7           HA       PRO   7  -4.132 -19.700  13.319
   45   1HB   PRO   7          2HB       PRO   7  -1.682 -18.885  14.107
   46   2HB   PRO   7          1HB       PRO   7  -2.429 -20.361  14.731
   47   1HG   PRO   7          2HG       PRO   7  -0.382 -20.046  12.565
   48   2HG   PRO   7          1HG       PRO   7  -0.428 -21.218  13.897
   49   1HD   PRO   7          2HD       PRO   7  -1.216 -21.836  11.378
   50   2HD   PRO   7          1HD       PRO   7  -1.942 -22.577  12.818
   51    H    GLN   8           H        GLN   8  -1.586 -19.370  10.889
   52    HA   GLN   8           HA       GLN   8  -2.740 -16.936   9.893
   53   1HB   GLN   8          2HB       GLN   8  -1.284 -16.256  11.880
   54   2HB   GLN   8          1HB       GLN   8   0.094 -16.761  10.911
   55   1HG   GLN   8          2HG       GLN   8  -0.208 -14.377  10.748
   56   2HG   GLN   8          1HG       GLN   8  -0.534 -15.133   9.189
   57   1HE2  GLN   8          1HE2      GLN   8  -2.504 -14.917   8.279
   58   2HE2  GLN   8          2HE2      GLN   8  -3.805 -14.020   8.976
   59    HA   PRO   9           HA       PRO   9  -0.423 -19.660   6.886
   60   1HB   PRO   9          2HB       PRO   9  -2.459 -19.908   5.105
   61   2HB   PRO   9          1HB       PRO   9  -2.246 -20.992   6.485
   62   1HG   PRO   9          2HG       PRO   9  -4.078 -18.645   6.181
   63   2HG   PRO   9          1HG       PRO   9  -4.400 -20.232   6.906
   64   1HD   PRO   9          2HD       PRO   9  -3.865 -18.026   8.387
   65   2HD   PRO   9          1HD       PRO   9  -3.411 -19.661   8.904
   66    H    SER  10           H        SER  10  -2.870 -17.987   5.028
   67    HA   SER  10           HA       SER  10  -2.774 -16.357   3.453
   68   1HB   SER  10          2HB       SER  10  -0.525 -15.379   5.222
   69   2HB   SER  10          1HB       SER  10  -1.139 -14.476   3.838
   70    HG   SER  10           HG       SER  10  -2.552 -15.230   6.178
   71    H    HIS  11           H        HIS  11  -1.284 -15.340   1.756
   72    HA   HIS  11           HA       HIS  11   0.302 -17.482   0.628
   73   1HB   HIS  11          2HB       HIS  11  -0.687 -14.831  -0.382
   74   2HB   HIS  11          1HB       HIS  11   0.545 -15.723  -1.269
   75    HD2  HIS  11           2HD      HIS  11  -2.630 -15.218  -2.287
   76    HE1  HIS  11           1HE      HIS  11  -2.737 -19.431  -1.898
   77    HE2  HIS  11           2HE      HIS  11  -3.967 -17.390  -2.763
   78    H    ILE  12           H        ILE  12   0.825 -14.059   1.451
   79    HA   ILE  12           HA       ILE  12   3.721 -14.502   1.329
   80    HB   ILE  12           HB       ILE  12   2.966 -12.593   0.062
   81   1HG1  ILE  12          2HG1      ILE  12   4.033 -10.809   1.943
   82   2HG1  ILE  12          1HG1      ILE  12   4.755 -12.368   2.335
   83   1HG2  ILE  12          1HG2      ILE  12   1.191 -12.245   2.279
   84   2HG2  ILE  12          2HG2      ILE  12   1.154 -11.482   0.689
   85   3HG2  ILE  12          3HG2      ILE  12   2.089 -10.755   1.995
   86   1HD1  ILE  12          1HD1      ILE  12   4.909 -10.848  -0.244
   87   2HD1  ILE  12          2HD1      ILE  12   5.360 -12.547  -0.111
   88   3HD1  ILE  12          3HD1      ILE  12   6.222 -11.329   0.829
   89    H    SER  13           H        SER  13   5.054 -14.202   3.073
   90    HA   SER  13           HA       SER  13   4.110 -14.732   5.632
   91   1HB   SER  13          2HB       SER  13   6.667 -13.993   4.427
   92   2HB   SER  13          1HB       SER  13   6.486 -13.365   6.066
   93    HG   SER  13           HG       SER  13   7.383 -15.527   5.912
   94    H    LYS  14           H        LYS  14   5.084 -11.627   4.204
   95    HA   LYS  14           HA       LYS  14   3.109 -10.190   5.658
   96   1HB   LYS  14          2HB       LYS  14   4.679  -8.786   6.988
   97   2HB   LYS  14          1HB       LYS  14   4.609 -10.459   7.525
   98   1HG   LYS  14          2HG       LYS  14   6.672 -10.803   6.025
   99   2HG   LYS  14          1HG       LYS  14   6.802  -9.043   6.064
  100   1HD   LYS  14          2HD       LYS  14   6.412 -10.391   8.666
  101   2HD   LYS  14          1HD       LYS  14   7.966 -10.650   7.872
  102   1HE   LYS  14          2HE       LYS  14   8.011  -8.726   9.403
  103   2HE   LYS  14          1HE       LYS  14   8.328  -8.260   7.731
  104   1HZ   LYS  14          1HZ       LYS  14   6.174  -7.368   7.518
  105   2HZ   LYS  14          2HZ       LYS  14   6.750  -6.800   9.004
  106   3HZ   LYS  14          3HZ       LYS  14   5.638  -8.073   8.960
  107    H    TYR  15           H        TYR  15   2.810  -8.135   4.869
  108    HA   TYR  15           HA       TYR  15   4.589  -7.327   2.662
  109   1HB   TYR  15          2HB       TYR  15   1.751  -7.746   2.728
  110   2HB   TYR  15          1HB       TYR  15   2.070  -6.043   2.414
  111    HD1  TYR  15           1HD      TYR  15   4.029  -5.672   0.605
  112    HD2  TYR  15           2HD      TYR  15   1.562  -9.124   0.899
  113    HE1  TYR  15           1HE      TYR  15   4.481  -6.188  -1.757
  114    HE2  TYR  15           2HE      TYR  15   2.007  -9.652  -1.460
  115    HH   TYR  15           HH       TYR  15   3.702  -7.433  -3.551
  116    H    ILE  16           H        ILE  16   5.397  -5.277   2.696
  117    HA   ILE  16           HA       ILE  16   4.512  -3.569   4.927
  118    HB   ILE  16           HB       ILE  16   7.242  -3.909   3.714
  119   1HG1  ILE  16          2HG1      ILE  16   6.634  -5.375   5.588
  120   2HG1  ILE  16          1HG1      ILE  16   7.901  -4.246   6.055
  121   1HG2  ILE  16          1HG2      ILE  16   7.373  -1.923   5.707
  122   2HG2  ILE  16          2HG2      ILE  16   6.070  -1.450   4.616
  123   3HG2  ILE  16          3HG2      ILE  16   7.690  -1.748   3.982
  124   1HD1  ILE  16          1HD1      ILE  16   6.599  -3.994   7.869
  125   2HD1  ILE  16          2HD1      ILE  16   5.136  -4.501   7.023
  126   3HD1  ILE  16          3HD1      ILE  16   5.741  -2.855   6.830
  127    H    LEU  17           H        LEU  17   3.909  -1.548   4.543
  128    HA   LEU  17           HA       LEU  17   4.083  -0.573   1.772
  129   1HB   LEU  17          2HB       LEU  17   1.806  -1.108   3.119
  130   2HB   LEU  17          1HB       LEU  17   2.063   0.556   3.607
  131    HG   LEU  17           HG       LEU  17   2.406   0.341   0.764
  132   1HD1  LEU  17          1HD1      LEU  17   0.048  -1.054   1.942
  133   2HD1  LEU  17          2HD1      LEU  17   0.996  -1.451   0.508
  134   3HD1  LEU  17          3HD1      LEU  17  -0.157  -0.118   0.461
  135   1HD2  LEU  17          1HD2      LEU  17   0.295   1.703   2.433
  136   2HD2  LEU  17          2HD2      LEU  17   0.690   2.059   0.752
  137   3HD2  LEU  17          3HD2      LEU  17   1.870   2.381   2.022
  138    H    ARG  18           H        ARG  18   5.529   1.009   1.598
  139    HA   ARG  18           HA       ARG  18   5.872   2.827   3.885
  140   1HB   ARG  18          2HB       ARG  18   7.842   1.892   1.807
  141   2HB   ARG  18          1HB       ARG  18   8.146   3.281   2.839
  142   1HG   ARG  18          2HG       ARG  18   8.577   2.015   4.646
  143   2HG   ARG  18          1HG       ARG  18   7.341   0.822   4.238
  144   1HD   ARG  18          2HD       ARG  18   8.975  -0.529   3.569
  145   2HD   ARG  18          1HD       ARG  18   9.268   0.590   2.238
  146    HE   ARG  18           HE       ARG  18  10.663   1.665   4.303
  147   1HH1  ARG  18          1HH1      ARG  18  10.586  -1.481   2.810
  148   2HH1  ARG  18          2HH1      ARG  18  12.249  -1.826   3.151
  149   1HH2  ARG  18          1HH2      ARG  18  12.856   1.220   4.756
  150   2HH2  ARG  18          2HH2      ARG  18  13.537  -0.292   4.257
  151    H    TRP  19           H        TRP  19   5.417   4.917   3.599
  152    HA   TRP  19           HA       TRP  19   5.511   6.029   0.908
  153   1HB   TRP  19          2HB       TRP  19   3.294   6.783   0.822
  154   2HB   TRP  19          1HB       TRP  19   3.167   5.129   1.405
  155    HD1  TRP  19           HD       TRP  19   2.701   8.754   2.544
  156    HE1  TRP  19           1HE      TRP  19   1.324   8.757   4.721
  157    HE3  TRP  19           3HE      TRP  19   2.603   3.721   3.458
  158    HZ2  TRP  19           2HZ      TRP  19   0.328   6.876   6.576
  159    HZ3  TRP  19           3HZ      TRP  19   1.418   2.908   5.453
  160    HH2  TRP  19           HH       TRP  19   0.304   4.454   6.979
  161    H    ARG  20           H        ARG  20   5.491   8.305   0.804
  162    HA   ARG  20           HA       ARG  20   5.613   9.901   3.186
  163   1HB   ARG  20          2HB       ARG  20   7.922  10.655   2.877
  164   2HB   ARG  20          1HB       ARG  20   7.869   8.925   3.184
  165   1HG   ARG  20          2HG       ARG  20   9.007   8.551   1.328
  166   2HG   ARG  20          1HG       ARG  20   7.737   9.323   0.379
  167   1HD   ARG  20          2HD       ARG  20   9.216  10.901  -0.134
  168   2HD   ARG  20          1HD       ARG  20   9.114  11.433   1.544
  169    HE   ARG  20           HE       ARG  20  11.120   9.517   0.541
  170   1HH1  ARG  20          1HH1      ARG  20  10.155  12.124   2.645
  171   2HH1  ARG  20          2HH1      ARG  20  11.711  12.267   3.391
  172   1HH2  ARG  20          1HH2      ARG  20  13.169   9.701   1.514
  173   2HH2  ARG  20          2HH2      ARG  20  13.426  10.890   2.748
  174    HA   PRO  21           HA       PRO  21   4.189  12.993   0.378
  175   1HB   PRO  21          2HB       PRO  21   6.033  14.884   1.755
  176   2HB   PRO  21          1HB       PRO  21   4.290  15.005   1.487
  177   1HG   PRO  21          2HG       PRO  21   5.191  14.399   3.895
  178   2HG   PRO  21          1HG       PRO  21   3.793  13.531   3.225
  179   1HD   PRO  21          2HD       PRO  21   6.656  12.645   3.396
  180   2HD   PRO  21          1HD       PRO  21   5.174  11.736   3.771
  181    H    LYS  22           H        LYS  22   4.810  13.019  -1.665
  182    HA   LYS  22           HA       LYS  22   7.443  12.757  -2.579
  183   1HB   LYS  22          2HB       LYS  22   4.976  12.578  -3.717
  184   2HB   LYS  22          1HB       LYS  22   5.559  14.087  -4.409
  185   1HG   LYS  22          2HG       LYS  22   7.218  13.069  -5.598
  186   2HG   LYS  22          1HG       LYS  22   7.369  11.734  -4.454
  187   1HD   LYS  22          2HD       LYS  22   6.156  10.504  -5.858
  188   2HD   LYS  22          1HD       LYS  22   4.777  11.533  -5.466
  189   1HE   LYS  22          2HE       LYS  22   4.872  12.628  -7.432
  190   2HE   LYS  22          1HE       LYS  22   6.635  12.642  -7.455
  191   1HZ   LYS  22          1HZ       LYS  22   5.881  11.294  -9.243
  192   2HZ   LYS  22          2HZ       LYS  22   4.852  10.405  -8.237
  193   3HZ   LYS  22          3HZ       LYS  22   6.529  10.253  -8.076
  194    H    ASN  23           H        ASN  23   5.654  15.552  -1.615
  195    HA   ASN  23           HA       ASN  23   7.596  17.350  -2.872
  196   1HB   ASN  23          2HB       ASN  23   4.885  17.750  -1.642
  197   2HB   ASN  23          1HB       ASN  23   5.975  19.116  -1.863
  198   1HD2  ASN  23          1HD2      ASN  23   4.744  16.330  -3.682
  199   2HD2  ASN  23          2HD2      ASN  23   4.497  17.189  -5.160
  200    H    SER  24           H        SER  24   6.404  16.326   0.275
  201    HA   SER  24           HA       SER  24   8.406  18.032   1.583
  202   1HB   SER  24          2HB       SER  24   5.801  16.859   2.446
  203   2HB   SER  24          1HB       SER  24   7.040  17.119   3.673
  204    HG   SER  24           HG       SER  24   6.649  19.176   3.578
  205    H    VAL  25           H        VAL  25  10.285  17.078   1.973
  206    HA   VAL  25           HA       VAL  25  10.391  14.181   2.357
  207    HB   VAL  25           HB       VAL  25  12.931  14.648   2.341
  208   1HG1  VAL  25          1HG1      VAL  25  12.906  14.821  -0.174
  209   2HG1  VAL  25          2HG1      VAL  25  11.155  14.996  -0.062
  210   3HG1  VAL  25          3HG1      VAL  25  11.932  13.521   0.514
  211   1HG2  VAL  25          1HG2      VAL  25  12.268  17.221   2.527
  212   2HG2  VAL  25          2HG2      VAL  25  12.309  17.081   0.770
  213   3HG2  VAL  25          3HG2      VAL  25  13.739  16.678   1.720
  214    H    GLY  26           H        GLY  26  10.699  13.259   4.281
  215   1HA   GLY  26          2HA       GLY  26  12.155  14.559   6.392
  216   2HA   GLY  26          1HA       GLY  26  10.427  14.488   6.699
  217    H    ARG  27           H        ARG  27   9.583  12.121   5.993
  218    HA   ARG  27           HA       ARG  27  11.319   9.952   6.599
  219   1HB   ARG  27          2HB       ARG  27  10.609  11.263   8.850
  220   2HB   ARG  27          1HB       ARG  27   9.249  10.157   8.710
  221   1HG   ARG  27          2HG       ARG  27  10.462   8.432   9.408
  222   2HG   ARG  27          1HG       ARG  27  11.782   8.813   8.300
  223   1HD   ARG  27          2HD       ARG  27  12.952   9.923   9.873
  224   2HD   ARG  27          1HD       ARG  27  11.507  10.642  10.583
  225    HE   ARG  27           HE       ARG  27  11.464   7.951  11.236
  226   1HH1  ARG  27          1HH1      ARG  27  13.513  10.709  11.823
  227   2HH1  ARG  27          2HH1      ARG  27  14.067  10.132  13.359
  228   1HH2  ARG  27          1HH2      ARG  27  12.188   7.185  13.258
  229   2HH2  ARG  27          2HH2      ARG  27  13.315   8.129  14.174
  230    H    TRP  28           H        TRP  28  10.294   7.915   6.374
  231    HA   TRP  28           HA       TRP  28   7.866   8.040   4.785
  232   1HB   TRP  28          2HB       TRP  28   9.658   5.695   5.460
  233   2HB   TRP  28          1HB       TRP  28   8.319   5.658   4.319
  234    HD1  TRP  28           HD       TRP  28  11.603   7.706   4.738
  235    HE1  TRP  28           1HE      TRP  28  12.605   8.066   2.396
  236    HE3  TRP  28           3HE      TRP  28   7.992   5.399   1.947
  237    HZ2  TRP  28           2HZ      TRP  28  11.952   7.453  -0.280
  238    HZ3  TRP  28           3HZ      TRP  28   8.259   5.329  -0.498
  239    HH2  TRP  28           HH       TRP  28  10.198   6.337  -1.587
  240    H    LYS  29           H        LYS  29   6.682   5.636   5.220
  241    HA   LYS  29           HA       LYS  29   6.055   5.438   8.067
  242   1HB   LYS  29          2HB       LYS  29   4.101   6.186   5.903
  243   2HB   LYS  29          1HB       LYS  29   3.565   5.356   7.357
  244   1HG   LYS  29          2HG       LYS  29   4.934   7.322   8.510
  245   2HG   LYS  29          1HG       LYS  29   4.522   8.131   6.996
  246   1HD   LYS  29          2HD       LYS  29   2.345   8.295   7.537
  247   2HD   LYS  29          1HD       LYS  29   2.301   6.678   8.240
  248   1HE   LYS  29          2HE       LYS  29   2.746   7.428  10.323
  249   2HE   LYS  29          1HE       LYS  29   3.840   8.687   9.748
  250   1HZ   LYS  29          1HZ       LYS  29   1.864   9.954   9.037
  251   2HZ   LYS  29          2HZ       LYS  29   1.910   9.697  10.708
  252   3HZ   LYS  29          3HZ       LYS  29   0.871   8.778   9.741
  253    H    GLU  30           H        GLU  30   5.097   3.392   8.624
  254    HA   GLU  30           HA       GLU  30   5.360   1.400   6.467
  255   1HB   GLU  30          2HB       GLU  30   5.949   1.010   9.403
  256   2HB   GLU  30          1HB       GLU  30   6.123  -0.204   8.144
  257   1HG   GLU  30          2HG       GLU  30   7.701   1.633   7.089
  258   2HG   GLU  30          1HG       GLU  30   7.827   2.139   8.773
  259    H    ALA  31           H        ALA  31   3.823  -0.070   6.171
  260    HA   ALA  31           HA       ALA  31   1.695  -0.407   8.149
  261   1HB   ALA  31          1HB       ALA  31   0.120   0.610   6.948
  262   2HB   ALA  31          2HB       ALA  31   0.516  -0.370   5.536
  263   3HB   ALA  31          3HB       ALA  31   1.368   1.147   5.822
  264    H    THR  32           H        THR  32   1.787  -2.534   8.558
  265    HA   THR  32           HA       THR  32   2.630  -4.378   6.478
  266    HB   THR  32           HB       THR  32   1.863  -5.175   9.273
  267    HG1  THR  32           1HG      THR  32   3.545  -3.373   8.997
  268   1HG2  THR  32          1HG2      THR  32   3.574  -6.320   7.083
  269   2HG2  THR  32          2HG2      THR  32   2.229  -7.071   7.941
  270   3HG2  THR  32          3HG2      THR  32   3.770  -6.825   8.761
  271    H    ILE  33           H        ILE  33   1.438  -5.973   5.587
  272    HA   ILE  33           HA       ILE  33  -1.334  -6.332   6.446
  273    HB   ILE  33           HB       ILE  33  -1.421  -6.532   3.647
  274   1HG1  ILE  33          2HG1      ILE  33  -0.459  -3.769   4.303
  275   2HG1  ILE  33          1HG1      ILE  33   0.711  -5.030   3.926
  276   1HG2  ILE  33          1HG2      ILE  33  -3.382  -5.858   4.545
  277   2HG2  ILE  33          2HG2      ILE  33  -2.761  -4.267   4.109
  278   3HG2  ILE  33          3HG2      ILE  33  -2.606  -4.849   5.765
  279   1HD1  ILE  33          1HD1      ILE  33  -1.534  -4.750   2.042
  280   2HD1  ILE  33          2HD1      ILE  33   0.177  -5.052   1.742
  281   3HD1  ILE  33          3HD1      ILE  33  -0.382  -3.416   2.092
  282    HA   PRO  34           HA       PRO  34   0.215 -10.502   5.836
  283   1HB   PRO  34          2HB       PRO  34  -1.829 -11.791   7.020
  284   2HB   PRO  34          1HB       PRO  34  -0.610 -10.913   7.952
  285   1HG   PRO  34          2HG       PRO  34  -3.373 -10.066   7.176
  286   2HG   PRO  34          1HG       PRO  34  -2.534  -9.865   8.725
  287   1HD   PRO  34          2HD       PRO  34  -2.760  -7.882   6.855
  288   2HD   PRO  34          1HD       PRO  34  -1.424  -7.988   8.019
  289    H    GLY  35           H        GLY  35  -0.050 -10.330   3.518
  290   1HA   GLY  35          2HA       GLY  35  -0.824 -11.364   1.593
  291   2HA   GLY  35          1HA       GLY  35  -2.112 -12.092   2.542
  292    H    HIS  36           H        HIS  36  -4.104 -11.153   2.589
  293    HA   HIS  36           HA       HIS  36  -4.572  -8.465   1.765
  294   1HB   HIS  36          2HB       HIS  36  -4.224 -10.111  -0.363
  295   2HB   HIS  36          1HB       HIS  36  -5.957 -10.292  -0.103
  296    HD2  HIS  36           2HD      HIS  36  -5.837  -6.888   0.872
  297    HE1  HIS  36           1HE      HIS  36  -5.505  -6.626  -3.340
  298    HE2  HIS  36           2HE      HIS  36  -5.837  -5.318  -1.194
  299    H    LEU  37           H        LEU  37  -5.767  -8.278   3.617
  300    HA   LEU  37           HA       LEU  37  -7.906 -10.132   4.200
  301   1HB   LEU  37          2HB       LEU  37  -7.937  -7.643   5.709
  302   2HB   LEU  37          1HB       LEU  37  -7.836  -9.297   6.278
  303    HG   LEU  37           HG       LEU  37  -5.327  -9.039   5.409
  304   1HD1  LEU  37          1HD1      LEU  37  -4.650  -6.680   6.236
  305   2HD1  LEU  37          2HD1      LEU  37  -6.321  -6.258   5.864
  306   3HD1  LEU  37          3HD1      LEU  37  -5.264  -6.875   4.595
  307   1HD2  LEU  37          1HD2      LEU  37  -6.605  -8.336   8.010
  308   2HD2  LEU  37          2HD2      LEU  37  -4.868  -8.110   7.804
  309   3HD2  LEU  37          3HD2      LEU  37  -5.580  -9.710   7.593
  310    H    ASN  38           H        ASN  38  -7.530  -6.923   2.856
  311    HA   ASN  38           HA       ASN  38  -9.950  -6.945   1.466
  312   1HB   ASN  38          2HB       ASN  38 -11.395  -5.537   2.709
  313   2HB   ASN  38          1HB       ASN  38 -10.808  -6.729   3.865
  314   1HD2  ASN  38          1HD2      ASN  38  -8.295  -5.723   4.396
  315   2HD2  ASN  38          2HD2      ASN  38  -8.451  -4.210   5.215
  316    H    SER  39           H        SER  39 -10.565  -4.182   1.508
  317    HA   SER  39           HA       SER  39  -8.281  -3.175   0.031
  318   1HB   SER  39          2HB       SER  39  -9.875  -1.233  -0.431
  319   2HB   SER  39          1HB       SER  39 -10.361  -2.807  -1.057
  320    HG   SER  39           HG       SER  39 -11.219  -2.042   1.497
  321    H    TYR  40           H        TYR  40  -6.696  -2.341   1.236
  322    HA   TYR  40           HA       TYR  40  -7.295  -0.863   3.666
  323   1HB   TYR  40          2HB       TYR  40  -5.363  -2.576   3.285
  324   2HB   TYR  40          1HB       TYR  40  -4.539  -1.214   2.534
  325    HD1  TYR  40           1HD      TYR  40  -3.776   0.665   3.859
  326    HD2  TYR  40           2HD      TYR  40  -5.819  -2.595   5.678
  327    HE1  TYR  40           1HE      TYR  40  -3.045   1.449   6.073
  328    HE2  TYR  40           2HE      TYR  40  -5.095  -1.818   7.896
  329    HH   TYR  40           HH       TYR  40  -3.623  -0.437   8.974
  330    H    THR  41           H        THR  41  -7.779   1.223   3.525
  331    HA   THR  41           HA       THR  41  -6.528   2.826   1.397
  332    HB   THR  41           HB       THR  41  -8.898   3.768   2.972
  333    HG1  THR  41           1HG      THR  41  -8.817   1.730   1.059
  334   1HG2  THR  41          1HG2      THR  41  -9.313   4.631   0.497
  335   2HG2  THR  41          2HG2      THR  41  -7.566   4.415   0.394
  336   3HG2  THR  41          3HG2      THR  41  -8.251   5.491   1.612
  337    H    ILE  42           H        ILE  42  -5.372   4.622   1.866
  338    HA   ILE  42           HA       ILE  42  -4.861   5.169   4.711
  339    HB   ILE  42           HB       ILE  42  -3.172   5.721   2.269
  340   1HG1  ILE  42          2HG1      ILE  42  -2.231   4.155   4.620
  341   2HG1  ILE  42          1HG1      ILE  42  -3.396   3.387   3.546
  342   1HG2  ILE  42          1HG2      ILE  42  -2.657   7.553   3.570
  343   2HG2  ILE  42          2HG2      ILE  42  -1.476   6.372   4.137
  344   3HG2  ILE  42          3HG2      ILE  42  -2.930   6.688   5.083
  345   1HD1  ILE  42          1HD1      ILE  42  -0.924   2.987   3.102
  346   2HD1  ILE  42          2HD1      ILE  42  -0.887   4.645   2.502
  347   3HD1  ILE  42          3HD1      ILE  42  -1.931   3.452   1.731
  348    H    LYS  43           H        LYS  43  -5.823   6.915   5.508
  349    HA   LYS  43           HA       LYS  43  -6.350   9.184   3.701
  350   1HB   LYS  43          2HB       LYS  43  -8.277   7.806   4.873
  351   2HB   LYS  43          1HB       LYS  43  -7.871   8.824   6.247
  352   1HG   LYS  43          2HG       LYS  43  -8.497  10.779   5.137
  353   2HG   LYS  43          1HG       LYS  43  -8.442  10.002   3.553
  354   1HD   LYS  43          2HD       LYS  43 -10.308   8.475   4.673
  355   2HD   LYS  43          1HD       LYS  43 -10.553   9.931   5.639
  356   1HE   LYS  43          2HE       LYS  43 -10.685   9.684   2.639
  357   2HE   LYS  43          1HE       LYS  43 -12.021  10.011   3.742
  358   1HZ   LYS  43          1HZ       LYS  43 -11.578  12.123   3.146
  359   2HZ   LYS  43          2HZ       LYS  43  -9.969  11.804   2.732
  360   3HZ   LYS  43          3HZ       LYS  43 -10.397  12.015   4.353
  361    H    GLY  44           H        GLY  44  -5.441  11.087   4.174
  362   1HA   GLY  44          2HA       GLY  44  -5.102  12.418   6.467
  363   2HA   GLY  44          1HA       GLY  44  -3.776  11.270   6.550
  364    H    LEU  45           H        LEU  45  -4.439  12.053   3.352
  365    HA   LEU  45           HA       LEU  45  -2.008  13.556   3.141
  366   1HB   LEU  45          2HB       LEU  45  -3.986  13.029   0.931
  367   2HB   LEU  45          1HB       LEU  45  -2.277  13.345   0.802
  368    HG   LEU  45           HG       LEU  45  -2.392  11.078   0.368
  369   1HD1  LEU  45          1HD1      LEU  45  -2.099  10.625   3.262
  370   2HD1  LEU  45          2HD1      LEU  45  -1.047  11.850   2.553
  371   3HD1  LEU  45          3HD1      LEU  45  -1.028  10.201   1.926
  372   1HD2  LEU  45          1HD2      LEU  45  -4.679  11.139   2.236
  373   2HD2  LEU  45          2HD2      LEU  45  -3.749   9.643   2.170
  374   3HD2  LEU  45          3HD2      LEU  45  -4.484  10.290   0.704
  375    H    LYS  46           H        LYS  46  -2.571  15.332   1.068
  376    HA   LYS  46           HA       LYS  46  -4.511  17.189   2.276
  377   1HB   LYS  46          2HB       LYS  46  -1.928  18.167   1.101
  378   2HB   LYS  46          1HB       LYS  46  -3.028  19.001   2.187
  379   1HG   LYS  46          2HG       LYS  46  -2.370  17.517   4.006
  380   2HG   LYS  46          1HG       LYS  46  -1.275  16.664   2.915
  381   1HD   LYS  46          2HD       LYS  46  -0.499  19.260   2.577
  382   2HD   LYS  46          1HD       LYS  46  -0.953  19.237   4.282
  383   1HE   LYS  46          2HE       LYS  46   1.180  18.530   4.539
  384   2HE   LYS  46          1HE       LYS  46   0.463  16.962   4.165
  385   1HZ   LYS  46          1HZ       LYS  46   1.239  18.480   1.842
  386   2HZ   LYS  46          2HZ       LYS  46   1.532  16.858   2.222
  387   3HZ   LYS  46          3HZ       LYS  46   2.536  18.068   2.845
  388    HA   PRO  47           HA       PRO  47  -6.191  17.593  -1.793
  389   1HB   PRO  47          2HB       PRO  47  -6.742  20.409  -1.048
  390   2HB   PRO  47          1HB       PRO  47  -7.862  19.142  -1.559
  391   1HG   PRO  47          2HG       PRO  47  -7.761  19.948   0.984
  392   2HG   PRO  47          1HG       PRO  47  -8.025  18.244   0.569
  393   1HD   PRO  47          2HD       PRO  47  -5.533  19.600   1.524
  394   2HD   PRO  47          1HD       PRO  47  -6.179  18.000   1.945
  395    H    GLY  48           H        GLY  48  -4.272  17.516  -3.021
  396   1HA   GLY  48          2HA       GLY  48  -3.460  18.967  -4.888
  397   2HA   GLY  48          1HA       GLY  48  -3.104  20.160  -3.647
  398    H    VAL  49           H        VAL  49  -2.199  17.963  -1.810
  399    HA   VAL  49           HA       VAL  49   0.528  17.816  -2.844
  400    HB   VAL  49           HB       VAL  49  -0.381  16.880  -0.128
  401   1HG1  VAL  49          1HG1      VAL  49   1.785  16.576   0.315
  402   2HG1  VAL  49          2HG1      VAL  49   2.236  18.123  -0.403
  403   3HG1  VAL  49          3HG1      VAL  49   2.041  16.700  -1.426
  404   1HG2  VAL  49          1HG2      VAL  49   0.132  19.070   0.760
  405   2HG2  VAL  49          2HG2      VAL  49  -1.126  19.205  -0.469
  406   3HG2  VAL  49          3HG2      VAL  49   0.533  19.661  -0.852
  407    H    VAL  50           H        VAL  50   1.402  16.005  -3.634
  408    HA   VAL  50           HA       VAL  50  -0.192  13.562  -3.549
  409    HB   VAL  50           HB       VAL  50   1.651  14.721  -5.465
  410   1HG1  VAL  50          1HG1      VAL  50   3.275  13.131  -4.687
  411   2HG1  VAL  50          2HG1      VAL  50   2.627  12.562  -6.226
  412   3HG1  VAL  50          3HG1      VAL  50   2.079  11.834  -4.715
  413   1HG2  VAL  50          1HG2      VAL  50  -0.581  14.185  -6.069
  414   2HG2  VAL  50          2HG2      VAL  50  -0.399  12.524  -5.500
  415   3HG2  VAL  50          3HG2      VAL  50   0.468  13.064  -6.940
  416    H    TYR  51           H        TYR  51   0.592  11.586  -2.839
  417    HA   TYR  51           HA       TYR  51   3.014  11.758  -1.162
  418   1HB   TYR  51          2HB       TYR  51   0.372  10.423  -0.682
  419   2HB   TYR  51          1HB       TYR  51   1.825   9.804   0.096
  420    HD1  TYR  51           1HD      TYR  51   0.150  13.103  -0.471
  421    HD2  TYR  51           2HD      TYR  51   2.261  10.575   2.223
  422    HE1  TYR  51           1HE      TYR  51  -0.086  14.798   1.294
  423    HE2  TYR  51           2HE      TYR  51   2.029  12.263   3.996
  424    HH   TYR  51           HH       TYR  51   0.062  15.129   3.560
  425    H    GLU  52           H        GLU  52   4.633  10.502  -1.765
  426    HA   GLU  52           HA       GLU  52   4.204   8.492  -3.812
  427   1HB   GLU  52          2HB       GLU  52   6.576   8.390  -4.020
  428   2HB   GLU  52          1HB       GLU  52   6.156  10.084  -3.828
  429   1HG   GLU  52          2HG       GLU  52   7.291  10.276  -1.914
  430   2HG   GLU  52          1HG       GLU  52   6.747   8.708  -1.318
  431    H    GLY  53           H        GLY  53   4.705   6.268  -3.605
  432   1HA   GLY  53          2HA       GLY  53   5.405   5.242  -0.984
  433   2HA   GLY  53          1HA       GLY  53   3.760   4.904  -1.490
  434    H    GLN  54           H        GLN  54   6.007   3.111  -0.932
  435    HA   GLN  54           HA       GLN  54   5.957   1.611  -3.450
  436   1HB   GLN  54          2HB       GLN  54   8.163   2.349  -3.512
  437   2HB   GLN  54          1HB       GLN  54   8.328   2.329  -1.762
  438   1HG   GLN  54          2HG       GLN  54   8.245  -0.167  -1.870
  439   2HG   GLN  54          1HG       GLN  54   8.319  -0.030  -3.625
  440   1HE2  GLN  54          1HE2      GLN  54  10.072   2.495  -2.849
  441   2HE2  GLN  54          2HE2      GLN  54  11.640   1.792  -2.682
  442    H    LEU  55           H        LEU  55   5.700  -0.609  -3.211
  443    HA   LEU  55           HA       LEU  55   5.088  -1.488  -0.471
  444   1HB   LEU  55          2HB       LEU  55   3.748  -1.794  -2.991
  445   2HB   LEU  55          1HB       LEU  55   4.137  -3.374  -2.340
  446    HG   LEU  55           HG       LEU  55   2.644  -1.255  -0.796
  447   1HD1  LEU  55          1HD1      LEU  55   0.969  -3.419  -1.439
  448   2HD1  LEU  55          2HD1      LEU  55   1.746  -2.918  -2.941
  449   3HD1  LEU  55          3HD1      LEU  55   0.839  -1.746  -1.984
  450   1HD2  LEU  55          1HD2      LEU  55   2.892  -2.618   0.935
  451   2HD2  LEU  55          2HD2      LEU  55   3.858  -3.711  -0.054
  452   3HD2  LEU  55          3HD2      LEU  55   2.108  -3.914   0.031
  453    H    ILE  56           H        ILE  56   6.799  -2.513   0.392
  454    HA   ILE  56           HA       ILE  56   8.393  -4.302  -1.294
  455    HB   ILE  56           HB       ILE  56   8.886  -3.320   1.523
  456   1HG1  ILE  56          2HG1      ILE  56  10.970  -2.401   0.166
  457   2HG1  ILE  56          1HG1      ILE  56   9.847  -2.509  -1.186
  458   1HG2  ILE  56          1HG2      ILE  56   9.900  -5.625   0.192
  459   2HG2  ILE  56          2HG2      ILE  56  10.316  -4.998   1.787
  460   3HG2  ILE  56          3HG2      ILE  56  11.211  -4.457   0.366
  461   1HD1  ILE  56          1HD1      ILE  56   8.984  -1.138   1.307
  462   2HD1  ILE  56          2HD1      ILE  56   8.490  -0.860  -0.363
  463   3HD1  ILE  56          3HD1      ILE  56  10.071  -0.309   0.193
  464    H    SER  57           H        SER  57   8.437  -6.485  -1.000
  465    HA   SER  57           HA       SER  57   6.541  -7.547   0.982
  466   1HB   SER  57          2HB       SER  57   5.649  -8.688  -0.712
  467   2HB   SER  57          1HB       SER  57   6.869  -8.038  -1.810
  468    HG   SER  57           HG       SER  57   7.929  -9.859  -1.711
  469    H    ILE  58           H        ILE  58   7.181  -8.900   2.472
  470    HA   ILE  58           HA       ILE  58   9.961  -9.881   2.394
  471    HB   ILE  58           HB       ILE  58   8.299  -9.454   4.878
  472   1HG1  ILE  58          2HG1      ILE  58  10.578  -7.669   4.125
  473   2HG1  ILE  58          1HG1      ILE  58   9.007  -7.389   3.385
  474   1HG2  ILE  58          1HG2      ILE  58   9.912 -10.817   5.663
  475   2HG2  ILE  58          2HG2      ILE  58  10.887  -9.348   5.647
  476   3HG2  ILE  58          3HG2      ILE  58  10.994 -10.491   4.309
  477   1HD1  ILE  58          1HD1      ILE  58   9.824  -7.136   6.240
  478   2HD1  ILE  58          2HD1      ILE  58   8.136  -7.430   5.823
  479   3HD1  ILE  58          3HD1      ILE  58   8.957  -5.994   5.212
  480    H    GLN  59           H        GLN  59  10.194 -12.000   2.165
  481    HA   GLN  59           HA       GLN  59   7.967 -13.757   2.963
  482   1HB   GLN  59          2HB       GLN  59  10.058 -14.534   0.953
  483   2HB   GLN  59          1HB       GLN  59   8.440 -15.185   1.167
  484   1HG   GLN  59          2HG       GLN  59   7.845 -12.636   0.543
  485   2HG   GLN  59          1HG       GLN  59   9.356 -12.833  -0.345
  486   1HE2  GLN  59          1HE2      GLN  59   9.146 -15.528  -1.003
  487   2HE2  GLN  59          2HE2      GLN  59   7.850 -15.728  -2.127
  488    H    GLN  60           H        GLN  60   8.868 -16.130   3.226
  489    HA   GLN  60           HA       GLN  60  10.507 -16.102   5.529
  490   1HB   GLN  60          2HB       GLN  60  10.410 -18.560   5.378
  491   2HB   GLN  60          1HB       GLN  60   8.825 -17.826   5.196
  492   1HG   GLN  60          2HG       GLN  60   8.936 -18.129   2.791
  493   2HG   GLN  60          1HG       GLN  60  10.554 -18.812   2.938
  494   1HE2  GLN  60          1HE2      GLN  60   7.678 -19.348   4.919
  495   2HE2  GLN  60          2HE2      GLN  60   7.571 -21.047   4.621
  496    H    TYR  61           H        TYR  61  11.164 -16.627   2.133
  497    HA   TYR  61           HA       TYR  61  13.961 -17.268   2.751
  498   1HB   TYR  61          2HB       TYR  61  12.128 -17.964   0.572
  499   2HB   TYR  61          1HB       TYR  61  13.721 -17.464   0.016
  500    HD1  TYR  61           1HD      TYR  61  11.798 -20.188   1.122
  501    HD2  TYR  61           2HD      TYR  61  15.738 -18.589   1.303
  502    HE1  TYR  61           1HE      TYR  61  12.676 -22.424   1.647
  503    HE2  TYR  61           2HE      TYR  61  16.627 -20.821   1.826
  504    HH   TYR  61           HH       TYR  61  14.654 -23.417   2.739
  505    H    GLY  62           H        GLY  62  12.158 -14.614   2.283
  506   1HA   GLY  62          2HA       GLY  62  12.702 -12.430   1.831
  507   2HA   GLY  62          1HA       GLY  62  14.382 -12.936   1.765
  508    H    HIS  63           H        HIS  63  11.454 -12.437  -0.072
  509    HA   HIS  63           HA       HIS  63  12.888 -12.895  -2.586
  510   1HB   HIS  63          2HB       HIS  63  10.064 -12.947  -1.743
  511   2HB   HIS  63          1HB       HIS  63  10.350 -12.223  -3.321
  512    HD2  HIS  63           2HD      HIS  63  11.582 -15.581  -1.620
  513    HE1  HIS  63           1HE      HIS  63  10.498 -16.268  -5.652
  514    HE2  HIS  63           2HE      HIS  63  11.207 -17.356  -3.474
  515    H    GLN  64           H        GLN  64  11.107 -10.434  -0.812
  516    HA   GLN  64           HA       GLN  64  11.121  -8.172  -0.890
  517   1HB   GLN  64          2HB       GLN  64  13.693  -8.884  -2.159
  518   2HB   GLN  64          1HB       GLN  64  13.102  -7.259  -2.480
  519   1HG   GLN  64          2HG       GLN  64  13.059  -6.734  -0.159
  520   2HG   GLN  64          1HG       GLN  64  13.386  -8.410   0.282
  521   1HE2  GLN  64          1HE2      GLN  64  14.965  -6.552   1.353
  522   2HE2  GLN  64          2HE2      GLN  64  16.532  -6.564   0.627
  523    H    GLU  65           H        GLU  65   9.114  -8.344  -2.040
  524    HA   GLU  65           HA       GLU  65   9.245  -7.829  -4.924
  525   1HB   GLU  65          2HB       GLU  65   7.579  -9.456  -3.542
  526   2HB   GLU  65          1HB       GLU  65   6.623  -7.982  -3.543
  527   1HG   GLU  65          2HG       GLU  65   6.793  -7.900  -5.999
  528   2HG   GLU  65          1HG       GLU  65   7.681  -9.423  -5.966
  529    H    VAL  66           H        VAL  66   9.024  -5.816  -5.698
  530    HA   VAL  66           HA       VAL  66   7.919  -3.781  -3.880
  531    HB   VAL  66           HB       VAL  66  10.162  -3.290  -3.826
  532   1HG1  VAL  66          1HG1      VAL  66  11.684  -3.436  -5.725
  533   2HG1  VAL  66          2HG1      VAL  66  10.344  -3.922  -6.765
  534   3HG1  VAL  66          3HG1      VAL  66  10.857  -4.969  -5.441
  535   1HG2  VAL  66          1HG2      VAL  66   8.759  -1.681  -5.897
  536   2HG2  VAL  66          2HG2      VAL  66  10.490  -1.426  -5.680
  537   3HG2  VAL  66          3HG2      VAL  66   9.389  -1.198  -4.322
  538    H    THR  67           H        THR  67   6.516  -2.350  -4.640
  539    HA   THR  67           HA       THR  67   6.099  -2.073  -7.528
  540    HB   THR  67           HB       THR  67   3.809  -2.446  -5.585
  541    HG1  THR  67           1HG      THR  67   5.299  -4.339  -6.338
  542   1HG2  THR  67          1HG2      THR  67   2.374  -2.263  -7.395
  543   2HG2  THR  67          2HG2      THR  67   3.636  -2.646  -8.566
  544   3HG2  THR  67          3HG2      THR  67   3.608  -1.065  -7.786
  545    H    ARG  68           H        ARG  68   6.153   0.038  -8.031
  546    HA   ARG  68           HA       ARG  68   5.927   2.019  -5.924
  547   1HB   ARG  68          2HB       ARG  68   6.386   2.597  -8.843
  548   2HB   ARG  68          1HB       ARG  68   6.850   3.567  -7.452
  549   1HG   ARG  68          2HG       ARG  68   8.216   1.292  -6.946
  550   2HG   ARG  68          1HG       ARG  68   8.210   1.291  -8.711
  551   1HD   ARG  68          2HD       ARG  68   8.787   3.926  -7.734
  552   2HD   ARG  68          1HD       ARG  68   9.881   2.758  -6.992
  553    HE   ARG  68           HE       ARG  68   9.573   3.180  -9.892
  554   1HH1  ARG  68          1HH1      ARG  68  11.424   2.136  -7.131
  555   2HH1  ARG  68          2HH1      ARG  68  12.861   1.827  -8.048
  556   1HH2  ARG  68          1HH2      ARG  68  11.464   2.779 -11.107
  557   2HH2  ARG  68          2HH2      ARG  68  12.883   2.192 -10.307
  558    H    PHE  69           H        PHE  69   4.385   3.588  -5.732
  559    HA   PHE  69           HA       PHE  69   2.341   3.935  -7.739
  560   1HB   PHE  69          2HB       PHE  69   0.509   3.506  -5.983
  561   2HB   PHE  69          1HB       PHE  69   1.258   2.110  -6.746
  562    HD1  PHE  69           1HD      PHE  69   1.808   0.360  -5.384
  563    HD2  PHE  69           2HD      PHE  69   1.793   4.290  -3.753
  564    HE1  PHE  69           1HE      PHE  69   2.344  -0.560  -3.168
  565    HE2  PHE  69           2HE      PHE  69   2.339   3.377  -1.530
  566    HZ   PHE  69           HZ       PHE  69   2.612   0.947  -1.240
  567    H    ASP  70           H        ASP  70   0.963   5.727  -7.346
  568    HA   ASP  70           HA       ASP  70   1.907   7.552  -5.231
  569   1HB   ASP  70          2HB       ASP  70   0.823   8.529  -7.864
  570   2HB   ASP  70          1HB       ASP  70   1.806   9.396  -6.690
  571    H    PHE  71           H        PHE  71   0.335   8.242  -3.877
  572    HA   PHE  71           HA       PHE  71  -2.417   8.335  -4.839
  573   1HB   PHE  71          2HB       PHE  71  -3.305   6.860  -3.242
  574   2HB   PHE  71          1HB       PHE  71  -1.863   6.039  -3.832
  575    HD1  PHE  71           1HD      PHE  71   0.125   5.857  -2.427
  576    HD2  PHE  71           2HD      PHE  71  -3.447   7.671  -0.989
  577    HE1  PHE  71           1HE      PHE  71   0.969   5.682  -0.123
  578    HE2  PHE  71           2HE      PHE  71  -2.612   7.502   1.318
  579    HZ   PHE  71           HZ       PHE  71  -0.399   6.504   1.754
  580    H    THR  72           H        THR  72  -3.852   9.521  -3.567
  581    HA   THR  72           HA       THR  72  -2.876  10.968  -1.248
  582    HB   THR  72           HB       THR  72  -2.834  13.065  -2.074
  583    HG1  THR  72           1HG      THR  72  -4.805  12.467  -4.031
  584   1HG2  THR  72          1HG2      THR  72  -2.428  13.148  -4.622
  585   2HG2  THR  72          2HG2      THR  72  -2.530  11.389  -4.545
  586   3HG2  THR  72          3HG2      THR  72  -1.291  12.243  -3.623
  587    H    THR  73           H        THR  73  -4.719  12.324  -0.306
  588    HA   THR  73           HA       THR  73  -7.012  10.668  -0.059
  589    HB   THR  73           HB       THR  73  -6.475  11.936   1.859
  590    HG1  THR  73           1HG      THR  73  -8.411  13.190   2.135
  591   1HG2  THR  73          1HG2      THR  73  -5.792  13.959  -0.031
  592   2HG2  THR  73          2HG2      THR  73  -5.438  13.896   1.694
  593   3HG2  THR  73          3HG2      THR  73  -6.937  14.636   1.128
  594    H    THR  74           H        THR  74  -6.306  13.574  -1.907
  595    HA   THR  74           HA       THR  74  -8.578  13.081  -3.603
  596    HB   THR  74           HB       THR  74  -9.793  14.307  -1.967
  597    HG1  THR  74           1HG      THR  74 -10.597  15.311  -3.644
  598   1HG2  THR  74          1HG2      THR  74  -8.618  15.564  -0.534
  599   2HG2  THR  74          2HG2      THR  74  -8.701  16.836  -1.753
  600   3HG2  THR  74          3HG2      THR  74  -7.295  15.775  -1.680
  601    H    SER  75           H        SER  75  -6.426  12.824  -4.762
  602    HA   SER  75           HA       SER  75  -6.048  15.112  -6.446
  603   1HB   SER  75          2HB       SER  75  -4.379  16.022  -5.213
  604   2HB   SER  75          1HB       SER  75  -4.124  14.540  -4.287
  605    HG   SER  75           HG       SER  75  -2.849  13.756  -5.936
  606    H    THR  76           H        THR  76  -4.092  12.286  -5.501
  607    HA   THR  76           HA       THR  76  -3.243  10.539  -6.671
  608    HB   THR  76           HB       THR  76  -5.054  10.222  -8.829
  609    HG1  THR  76           1HG      THR  76  -6.875  10.989  -8.089
  610   1HG2  THR  76          1HG2      THR  76  -5.257   8.146  -7.952
  611   2HG2  THR  76          2HG2      THR  76  -5.554   8.750  -6.322
  612   3HG2  THR  76          3HG2      THR  76  -3.905   8.664  -6.944
  613    H    SER  77           H        SER  77  -1.464  10.710  -7.841
  614    HA   SER  77           HA       SER  77  -1.407  12.544 -10.118
  615   1HB   SER  77          2HB       SER  77   0.527  13.047  -9.046
  616   2HB   SER  77          1HB       SER  77   0.592  11.487  -8.227
  617    HG   SER  77           HG       SER  77   1.772  10.700  -9.800
  618    H    THR  78           H        THR  78  -1.734  11.787 -12.087
  619    HA   THR  78           HA       THR  78  -0.444   9.386 -13.003
  620    HB   THR  78           HB       THR  78  -2.294   8.220 -12.132
  621    HG1  THR  78           1HG      THR  78  -2.300   7.326 -14.060
  622   1HG2  THR  78          1HG2      THR  78  -4.206  10.155 -13.425
  623   2HG2  THR  78          2HG2      THR  78  -3.661  10.317 -11.756
  624   3HG2  THR  78          3HG2      THR  78  -4.567   8.887 -12.253
  625    HA   PRO  79           HA       PRO  79  -1.250  12.662 -16.206
  626   1HB   PRO  79          2HB       PRO  79   1.313  13.176 -16.857
  627   2HB   PRO  79          1HB       PRO  79   0.518  13.949 -15.480
  628   1HG   PRO  79          2HG       PRO  79   2.423  11.648 -15.525
  629   2HG   PRO  79          1HG       PRO  79   2.329  13.002 -14.385
  630   1HD   PRO  79          2HD       PRO  79   1.325  10.491 -13.890
  631   2HD   PRO  79          1HD       PRO  79   0.731  11.973 -13.115
  632    H    GLY  80           H        GLY  80   1.761  10.857 -16.781
  633   1HA   GLY  80          2HA       GLY  80   0.456   9.213 -18.802
  634   2HA   GLY  80          1HA       GLY  80   1.661  10.353 -19.387
  635    H    SER  81           H        SER  81   2.067   7.749 -19.902
  636    HA   SER  81           HA       SER  81   3.551   6.039 -19.722
  637   1HB   SER  81          2HB       SER  81   5.011   8.295 -19.550
  638   2HB   SER  81          1HB       SER  81   5.410   7.572 -17.991
  639    HG   SER  81           HG       SER  81   6.370   6.944 -20.380
  640    H    ARG  82           H        ARG  82   5.250   5.131 -17.809
  641    HA   ARG  82           HA       ARG  82   5.297   3.821 -15.952
  642   1HB   ARG  82          2HB       ARG  82   3.847   6.263 -14.982
  643   2HB   ARG  82          1HB       ARG  82   4.086   4.890 -13.909
  644   1HG   ARG  82          2HG       ARG  82   6.567   5.087 -14.545
  645   2HG   ARG  82          1HG       ARG  82   6.134   6.690 -15.143
  646   1HD   ARG  82          2HD       ARG  82   4.955   6.488 -12.616
  647   2HD   ARG  82          1HD       ARG  82   6.567   5.793 -12.439
  648    HE   ARG  82           HE       ARG  82   6.277   8.414 -13.717
  649   1HH1  ARG  82          1HH1      ARG  82   7.347   6.478 -11.022
  650   2HH1  ARG  82          2HH1      ARG  82   8.339   7.730 -10.352
  651   1HH2  ARG  82          1HH2      ARG  82   7.578  10.066 -12.840
  652   2HH2  ARG  82          2HH2      ARG  82   8.469   9.770 -11.385
  653    H    SER  83           H        SER  83   3.219   3.334 -17.894
  654    HA   SER  83           HA       SER  83   1.229   2.048 -16.143
  655   1HB   SER  83          2HB       SER  83   0.835   3.508 -18.744
  656   2HB   SER  83          1HB       SER  83  -0.307   2.269 -18.221
  657    HG   SER  83           HG       SER  83  -0.848   3.485 -16.487
  658    H    HIS  84           H        HIS  84   3.209   1.870 -19.022
  659    HA   HIS  84           HA       HIS  84   2.721  -1.031 -19.107
  660   1HB   HIS  84          2HB       HIS  84   2.319   0.934 -21.192
  661   2HB   HIS  84          1HB       HIS  84   3.510  -0.265 -21.686
  662    HD2  HIS  84           2HD      HIS  84   2.530  -2.717 -22.346
  663    HE1  HIS  84           1HE      HIS  84  -1.493  -1.889 -21.325
  664    HE2  HIS  84           2HE      HIS  84   0.104  -3.629 -22.250
  665    H    HIS  85           H        HIS  85   4.937   1.459 -18.748
  666    HA   HIS  85           HA       HIS  85   7.233   0.404 -19.988
  667   1HB   HIS  85          2HB       HIS  85   6.667   2.719 -18.686
  668   2HB   HIS  85          1HB       HIS  85   7.639   1.895 -17.471
  669    HD2  HIS  85           2HD      HIS  85   8.185   4.246 -20.252
  670    HE1  HIS  85           1HE      HIS  85  11.713   1.918 -20.069
  671    HE2  HIS  85           2HE      HIS  85  10.606   3.938 -21.129
  672    H    HIS  86           H        HIS  86   7.473  -1.776 -19.594
  673    HA   HIS  86           HA       HIS  86   8.885  -2.513 -17.255
  674   1HB   HIS  86          2HB       HIS  86   6.176  -2.513 -16.826
  675   2HB   HIS  86          1HB       HIS  86   6.467  -4.182 -17.303
  676    HD2  HIS  86           2HD      HIS  86   6.059  -2.545 -14.160
  677    HE1  HIS  86           1HE      HIS  86   9.411  -5.038 -13.491
  678    HE2  HIS  86           2HE      HIS  86   7.717  -3.494 -12.407
  679    H    HIS  87           H        HIS  87   8.148  -5.295 -17.284
  680    HA   HIS  87           HA       HIS  87   8.695  -7.238 -18.322
  681   1HB   HIS  87          2HB       HIS  87   7.356  -5.641 -20.362
  682   2HB   HIS  87          1HB       HIS  87   8.491  -6.794 -21.054
  683    HD2  HIS  87           2HD      HIS  87   6.125  -8.093 -22.018
  684    HE1  HIS  87           1HE      HIS  87   5.228  -9.706 -18.210
  685    HE2  HIS  87           2HE      HIS  87   4.844  -9.927 -20.706
  686    H    HIS  88           H        HIS  88   9.732  -5.455 -21.152
  687    HA   HIS  88           HA       HIS  88  12.465  -6.378 -20.664
  688   1HB   HIS  88          2HB       HIS  88  10.813  -6.115 -22.992
  689   2HB   HIS  88          1HB       HIS  88  12.257  -5.131 -23.201
  690    HD2  HIS  88           2HD      HIS  88  13.583  -6.745 -24.934
  691    HE1  HIS  88           1HE      HIS  88  13.599 -10.178 -22.460
  692    HE2  HIS  88           2HE      HIS  88  14.323  -9.218 -24.693
  693    H    HIS  89           H        HIS  89  13.994  -5.038 -19.993
  694    HA   HIS  89           HA       HIS  89  15.072  -3.138 -19.352
  695   1HB   HIS  89          2HB       HIS  89  14.374  -2.861 -22.126
  696   2HB   HIS  89          1HB       HIS  89  14.323  -1.281 -21.351
  697    HD2  HIS  89           2HD      HIS  89  16.663  -0.119 -21.881
  698    HE1  HIS  89           1HE      HIS  89  19.129  -3.491 -21.203
  699    HE2  HIS  89           2HE      HIS  89  19.091  -0.988 -21.602
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  14.514  -4.470  -9.368
    2   2H    MET   1          2HT       MET   1  13.884  -2.916  -9.590
    3   3H    MET   1          3HT       MET   1  15.496  -3.115  -9.117
    4    HA   MET   1           HA       MET   1  14.294  -3.288 -11.740
    5   1HB   MET   1          2HB       MET   1  16.335  -1.899 -10.455
    6   2HB   MET   1          1HB       MET   1  17.186  -3.024 -11.504
    7   1HG   MET   1          2HG       MET   1  15.791  -2.198 -13.399
    8   2HG   MET   1          1HG       MET   1  15.149  -0.967 -12.312
    9   1HE   MET   1          1HE       MET   1  16.915  -1.163 -15.137
   10   2HE   MET   1          2HE       MET   1  18.320  -2.027 -14.513
   11   3HE   MET   1          3HE       MET   1  18.474  -0.345 -15.021
   12    H    ARG   2           H        ARG   2  13.760  -5.592 -11.672
   13    HA   ARG   2           HA       ARG   2  16.107  -7.336 -12.007
   14   1HB   ARG   2          2HB       ARG   2  13.597  -7.673 -10.636
   15   2HB   ARG   2          1HB       ARG   2  13.774  -8.909 -11.874
   16   1HG   ARG   2          2HG       ARG   2  16.242  -8.911 -10.690
   17   2HG   ARG   2          1HG       ARG   2  15.162  -8.588  -9.332
   18   1HD   ARG   2          2HD       ARG   2  15.109 -10.868  -9.319
   19   2HD   ARG   2          1HD       ARG   2  13.775 -10.551 -10.428
   20    HE   ARG   2           HE       ARG   2  16.272 -10.819 -11.787
   21   1HH1  ARG   2          1HH1      ARG   2  13.654 -12.604 -10.335
   22   2HH1  ARG   2          2HH1      ARG   2  13.905 -14.014 -11.309
   23   1HH2  ARG   2          1HH2      ARG   2  16.606 -12.670 -13.076
   24   2HH2  ARG   2          2HH2      ARG   2  15.582 -14.051 -12.867
   25    H    GLY   3           H        GLY   3  12.908  -6.602 -13.367
   26   1HA   GLY   3          2HA       GLY   3  13.246  -6.324 -15.929
   27   2HA   GLY   3          1HA       GLY   3  13.660  -8.029 -15.822
   28    H    SER   4           H        SER   4  11.973  -9.441 -14.795
   29    HA   SER   4           HA       SER   4   9.258  -8.445 -15.331
   30   1HB   SER   4          2HB       SER   4   8.685 -10.608 -16.368
   31   2HB   SER   4          1HB       SER   4   9.969  -9.789 -17.257
   32    HG   SER   4           HG       SER   4  10.257 -12.113 -16.767
   33    H    ASN   5           H        ASN   5   7.598  -9.371 -14.101
   34    HA   ASN   5           HA       ASN   5   8.511 -10.973 -11.802
   35   1HB   ASN   5          2HB       ASN   5   6.294  -8.915 -11.808
   36   2HB   ASN   5          1HB       ASN   5   6.866  -9.831 -10.418
   37   1HD2  ASN   5          1HD2      ASN   5   7.374  -7.127 -12.454
   38   2HD2  ASN   5          2HD2      ASN   5   8.742  -6.475 -11.624
   39    H    ALA   6           H        ALA   6   6.591 -10.906 -14.520
   40    HA   ALA   6           HA       ALA   6   5.017 -12.297 -15.380
   41   1HB   ALA   6          1HB       ALA   6   5.402 -14.110 -13.017
   42   2HB   ALA   6          2HB       ALA   6   6.587 -14.002 -14.319
   43   3HB   ALA   6          3HB       ALA   6   4.941 -14.531 -14.666
   44    HA   PRO   7           HA       PRO   7   1.524 -10.504 -13.170
   45   1HB   PRO   7          2HB       PRO   7   0.053 -11.774 -15.411
   46   2HB   PRO   7          1HB       PRO   7   0.019 -10.101 -14.846
   47   1HG   PRO   7          2HG       PRO   7   1.274 -10.769 -17.107
   48   2HG   PRO   7          1HG       PRO   7   1.927  -9.526 -16.023
   49   1HD   PRO   7          2HD       PRO   7   2.791 -12.363 -16.397
   50   2HD   PRO   7          1HD       PRO   7   3.775 -10.912 -16.116
   51    H    GLN   8           H        GLN   8   1.681 -12.006 -11.423
   52    HA   GLN   8           HA       GLN   8  -0.533 -13.751 -11.204
   53   1HB   GLN   8          2HB       GLN   8   1.036 -15.144 -12.607
   54   2HB   GLN   8          1HB       GLN   8   2.144 -15.150 -11.243
   55   1HG   GLN   8          2HG       GLN   8  -0.096 -16.000 -10.025
   56   2HG   GLN   8          1HG       GLN   8  -0.369 -16.624 -11.651
   57   1HE2  GLN   8          1HE2      GLN   8   2.217 -17.198 -12.414
   58   2HE2  GLN   8          2HE2      GLN   8   2.827 -18.485 -11.437
   59    HA   PRO   9           HA       PRO   9   1.448 -12.185  -7.284
   60   1HB   PRO   9          2HB       PRO   9  -0.678 -10.812  -6.352
   61   2HB   PRO   9          1HB       PRO   9   0.467 -10.110  -7.503
   62   1HG   PRO   9          2HG       PRO   9  -2.227 -11.316  -8.009
   63   2HG   PRO   9          1HG       PRO   9  -1.523  -9.831  -8.678
   64   1HD   PRO   9          2HD       PRO   9  -1.587 -12.186 -10.039
   65   2HD   PRO   9          1HD       PRO   9  -0.311 -10.972 -10.264
   66    H    SER  10           H        SER  10   1.015 -12.830  -5.143
   67    HA   SER  10           HA       SER  10  -1.321 -14.486  -4.622
   68   1HB   SER  10          2HB       SER  10   1.379 -15.552  -5.065
   69   2HB   SER  10          1HB       SER  10   0.656 -16.072  -3.543
   70    HG   SER  10           HG       SER  10  -1.149 -16.213  -5.535
   71    H    HIS  11           H        HIS  11  -0.364 -15.608  -2.207
   72    HA   HIS  11           HA       HIS  11  -0.357 -13.201  -0.558
   73   1HB   HIS  11          2HB       HIS  11  -0.614 -16.060   0.379
   74   2HB   HIS  11          1HB       HIS  11  -1.025 -14.595   1.268
   75    HD2  HIS  11           2HD      HIS  11  -2.796 -17.263  -0.547
   76    HE1  HIS  11           1HE      HIS  11  -5.177 -13.804  -1.070
   77    HE2  HIS  11           2HE      HIS  11  -5.158 -16.339  -1.094
   78    H    ILE  12           H        ILE  12   1.320 -12.516   0.572
   79    HA   ILE  12           HA       ILE  12   3.789 -14.111   0.538
   80    HB   ILE  12           HB       ILE  12   3.996 -11.922  -0.491
   81   1HG1  ILE  12          2HG1      ILE  12   5.407 -11.137   1.915
   82   2HG1  ILE  12          1HG1      ILE  12   5.602 -12.863   1.613
   83   1HG2  ILE  12          1HG2      ILE  12   3.778 -10.071   1.553
   84   2HG2  ILE  12          2HG2      ILE  12   2.385 -11.129   1.783
   85   3HG2  ILE  12          3HG2      ILE  12   2.633 -10.321   0.236
   86   1HD1  ILE  12          1HD1      ILE  12   7.029 -12.488  -0.037
   87   2HD1  ILE  12          2HD1      ILE  12   7.045 -10.799   0.471
   88   3HD1  ILE  12          3HD1      ILE  12   5.946 -11.327  -0.804
   89    H    SER  13           H        SER  13   5.147 -14.095   2.462
   90    HA   SER  13           HA       SER  13   3.869 -14.805   4.809
   91   1HB   SER  13          2HB       SER  13   6.556 -14.461   3.948
   92   2HB   SER  13          1HB       SER  13   6.386 -13.593   5.472
   93    HG   SER  13           HG       SER  13   6.131 -15.426   6.492
   94    H    LYS  14           H        LYS  14   4.959 -11.663   3.681
   95    HA   LYS  14           HA       LYS  14   3.074 -10.288   5.296
   96   1HB   LYS  14          2HB       LYS  14   4.624  -9.016   6.698
   97   2HB   LYS  14          1HB       LYS  14   4.722 -10.736   7.049
   98   1HG   LYS  14          2HG       LYS  14   6.845 -10.913   6.294
   99   2HG   LYS  14          1HG       LYS  14   6.625  -9.681   5.050
  100   1HD   LYS  14          2HD       LYS  14   7.521  -8.127   6.365
  101   2HD   LYS  14          1HD       LYS  14   6.372  -8.499   7.652
  102   1HE   LYS  14          2HE       LYS  14   8.823 -10.162   7.147
  103   2HE   LYS  14          1HE       LYS  14   8.842  -8.751   8.204
  104   1HZ   LYS  14          1HZ       LYS  14   7.168 -11.182   8.536
  105   2HZ   LYS  14          2HZ       LYS  14   7.066  -9.804   9.512
  106   3HZ   LYS  14          3HZ       LYS  14   8.484 -10.724   9.497
  107    H    TYR  15           H        TYR  15   2.750  -8.209   4.611
  108    HA   TYR  15           HA       TYR  15   4.450  -7.260   2.395
  109   1HB   TYR  15          2HB       TYR  15   1.691  -7.851   2.416
  110   2HB   TYR  15          1HB       TYR  15   1.800  -6.098   2.421
  111    HD1  TYR  15           1HD      TYR  15   1.228  -8.649   0.314
  112    HD2  TYR  15           2HD      TYR  15   3.956  -5.406   0.709
  113    HE1  TYR  15           1HE      TYR  15   1.597  -8.669  -2.117
  114    HE2  TYR  15           2HE      TYR  15   4.333  -5.420  -1.722
  115    HH   TYR  15           HH       TYR  15   3.545  -6.206  -3.705
  116    H    ILE  16           H        ILE  16   5.279  -5.204   2.602
  117    HA   ILE  16           HA       ILE  16   4.310  -3.645   4.907
  118    HB   ILE  16           HB       ILE  16   7.078  -3.750   3.717
  119   1HG1  ILE  16          2HG1      ILE  16   7.439  -4.077   6.340
  120   2HG1  ILE  16          1HG1      ILE  16   5.785  -4.671   6.241
  121   1HG2  ILE  16          1HG2      ILE  16   7.013  -2.084   6.009
  122   2HG2  ILE  16          2HG2      ILE  16   5.748  -1.520   4.912
  123   3HG2  ILE  16          3HG2      ILE  16   7.415  -1.642   4.350
  124   1HD1  ILE  16          1HD1      ILE  16   6.682  -6.637   5.741
  125   2HD1  ILE  16          2HD1      ILE  16   8.266  -5.926   5.432
  126   3HD1  ILE  16          3HD1      ILE  16   7.047  -5.952   4.158
  127    H    LEU  17           H        LEU  17   3.770  -1.572   4.650
  128    HA   LEU  17           HA       LEU  17   3.880  -0.499   1.917
  129   1HB   LEU  17          2HB       LEU  17   1.656  -0.988   3.372
  130   2HB   LEU  17          1HB       LEU  17   2.004   0.654   3.879
  131    HG   LEU  17           HG       LEU  17   2.197   0.491   1.017
  132   1HD1  LEU  17          1HD1      LEU  17   0.126  -0.298   0.352
  133   2HD1  LEU  17          2HD1      LEU  17  -0.565  -0.159   1.969
  134   3HD1  LEU  17          3HD1      LEU  17   0.577  -1.454   1.606
  135   1HD2  LEU  17          1HD2      LEU  17  -0.095   1.903   2.098
  136   2HD2  LEU  17          2HD2      LEU  17   1.305   2.519   1.221
  137   3HD2  LEU  17          3HD2      LEU  17   1.392   2.280   2.965
  138    H    ARG  18           H        ARG  18   5.376   1.027   1.721
  139    HA   ARG  18           HA       ARG  18   5.812   2.826   4.005
  140   1HB   ARG  18          2HB       ARG  18   7.730   1.543   2.115
  141   2HB   ARG  18          1HB       ARG  18   8.108   3.149   2.726
  142   1HG   ARG  18          2HG       ARG  18   8.556   2.403   4.802
  143   2HG   ARG  18          1HG       ARG  18   7.287   1.178   4.752
  144   1HD   ARG  18          2HD       ARG  18   8.691  -0.416   4.036
  145   2HD   ARG  18          1HD       ARG  18   9.482   0.673   2.895
  146    HE   ARG  18           HE       ARG  18  10.938   1.382   4.638
  147   1HH1  ARG  18          1HH1      ARG  18   8.855  -1.270   5.514
  148   2HH1  ARG  18          2HH1      ARG  18   9.834  -1.764   6.853
  149   1HH2  ARG  18          1HH2      ARG  18  12.231   0.741   6.400
  150   2HH2  ARG  18          2HH2      ARG  18  11.755  -0.621   7.357
  151    H    TRP  19           H        TRP  19   5.409   4.923   3.666
  152    HA   TRP  19           HA       TRP  19   5.694   6.020   1.003
  153   1HB   TRP  19          2HB       TRP  19   3.459   6.701   0.665
  154   2HB   TRP  19          1HB       TRP  19   3.385   5.005   1.116
  155    HD1  TRP  19           HD       TRP  19   2.094   8.377   2.090
  156    HE1  TRP  19           1HE      TRP  19   0.583   8.166   4.164
  157    HE3  TRP  19           3HE      TRP  19   3.215   3.572   3.424
  158    HZ2  TRP  19           2HZ      TRP  19  -0.043   6.223   6.111
  159    HZ3  TRP  19           3HZ      TRP  19   2.117   2.612   5.405
  160    HH2  TRP  19           HH       TRP  19   0.521   3.911   6.720
  161    H    ARG  20           H        ARG  20   5.547   8.262   0.864
  162    HA   ARG  20           HA       ARG  20   5.259   9.910   3.196
  163   1HB   ARG  20          2HB       ARG  20   7.579  10.856   3.000
  164   2HB   ARG  20          1HB       ARG  20   7.518   9.213   3.620
  165   1HG   ARG  20          2HG       ARG  20   9.136   8.840   2.123
  166   2HG   ARG  20          1HG       ARG  20   7.803   8.743   0.972
  167   1HD   ARG  20          2HD       ARG  20   8.251  11.423   1.055
  168   2HD   ARG  20          1HD       ARG  20   9.879  10.791   1.295
  169    HE   ARG  20           HE       ARG  20   8.319   9.725  -0.929
  170   1HH1  ARG  20          1HH1      ARG  20  10.900  11.780   0.195
  171   2HH1  ARG  20          2HH1      ARG  20  11.632  11.931  -1.368
  172   1HH2  ARG  20          1HH2      ARG  20   9.279   9.916  -2.987
  173   2HH2  ARG  20          2HH2      ARG  20  10.711  10.872  -3.176
  174    HA   PRO  21           HA       PRO  21   4.129  12.964   0.221
  175   1HB   PRO  21          2HB       PRO  21   6.074  14.849   1.463
  176   2HB   PRO  21          1HB       PRO  21   4.342  15.049   1.168
  177   1HG   PRO  21          2HG       PRO  21   5.197  14.579   3.625
  178   2HG   PRO  21          1HG       PRO  21   3.749  13.751   3.012
  179   1HD   PRO  21          2HD       PRO  21   6.544  12.701   3.293
  180   2HD   PRO  21          1HD       PRO  21   5.001  11.915   3.696
  181    H    LYS  22           H        LYS  22   4.795  12.626  -1.795
  182    HA   LYS  22           HA       LYS  22   7.437  12.275  -2.642
  183   1HB   LYS  22          2HB       LYS  22   5.242  11.647  -3.823
  184   2HB   LYS  22          1HB       LYS  22   5.237  13.299  -4.423
  185   1HG   LYS  22          2HG       LYS  22   7.308  12.948  -5.581
  186   2HG   LYS  22          1HG       LYS  22   7.487  11.347  -4.856
  187   1HD   LYS  22          2HD       LYS  22   6.660  10.886  -6.985
  188   2HD   LYS  22          1HD       LYS  22   5.222  10.828  -5.967
  189   1HE   LYS  22          2HE       LYS  22   5.998  13.395  -7.277
  190   2HE   LYS  22          1HE       LYS  22   5.193  12.144  -8.225
  191   1HZ   LYS  22          1HZ       LYS  22   4.168  13.670  -5.924
  192   2HZ   LYS  22          2HZ       LYS  22   3.517  12.152  -6.289
  193   3HZ   LYS  22          3HZ       LYS  22   3.447  13.398  -7.431
  194    H    ASN  23           H        ASN  23   5.541  15.146  -2.169
  195    HA   ASN  23           HA       ASN  23   7.195  16.885  -3.722
  196   1HB   ASN  23          2HB       ASN  23   4.849  17.432  -3.242
  197   2HB   ASN  23          1HB       ASN  23   5.218  17.525  -1.522
  198   1HD2  ASN  23          1HD2      ASN  23   5.861  18.972  -4.655
  199   2HD2  ASN  23          2HD2      ASN  23   6.281  20.535  -4.054
  200    H    SER  24           H        SER  24   7.050  15.912  -0.344
  201    HA   SER  24           HA       SER  24   9.260  17.700   0.327
  202   1HB   SER  24          2HB       SER  24   7.120  17.233   1.782
  203   2HB   SER  24          1HB       SER  24   8.024  15.807   2.293
  204    HG   SER  24           HG       SER  24   9.765  17.644   2.513
  205    H    VAL  25           H        VAL  25  10.362  16.106   2.408
  206    HA   VAL  25           HA       VAL  25  11.461  13.780   1.002
  207    HB   VAL  25           HB       VAL  25  13.105  15.428   0.530
  208   1HG1  VAL  25          1HG1      VAL  25  12.548  17.203   1.974
  209   2HG1  VAL  25          2HG1      VAL  25  14.182  16.719   2.429
  210   3HG1  VAL  25          3HG1      VAL  25  12.807  16.219   3.415
  211   1HG2  VAL  25          1HG2      VAL  25  13.697  13.157   1.908
  212   2HG2  VAL  25          2HG2      VAL  25  14.509  14.381   2.883
  213   3HG2  VAL  25          3HG2      VAL  25  14.891  14.224   1.169
  214    H    GLY  26           H        GLY  26  11.858  12.050   2.287
  215   1HA   GLY  26          2HA       GLY  26  12.099  10.778   4.193
  216   2HA   GLY  26          1HA       GLY  26  12.321  12.265   5.102
  217    H    ARG  27           H        ARG  27  11.061  11.097   6.728
  218    HA   ARG  27           HA       ARG  27   9.170  10.786   7.940
  219   1HB   ARG  27          2HB       ARG  27   8.446  12.972   6.075
  220   2HB   ARG  27          1HB       ARG  27   7.115  12.170   6.895
  221   1HG   ARG  27          2HG       ARG  27   8.789  12.588   8.971
  222   2HG   ARG  27          1HG       ARG  27   9.176  13.975   7.951
  223   1HD   ARG  27          2HD       ARG  27   7.339  14.331   9.643
  224   2HD   ARG  27          1HD       ARG  27   6.937  14.737   7.976
  225    HE   ARG  27           HE       ARG  27   6.141  12.120   8.346
  226   1HH1  ARG  27          1HH1      ARG  27   5.383  15.232   9.723
  227   2HH1  ARG  27          2HH1      ARG  27   3.753  14.801  10.116
  228   1HH2  ARG  27          1HH2      ARG  27   3.998  11.548   8.863
  229   2HH2  ARG  27          2HH2      ARG  27   2.966  12.709   9.629
  230    H    TRP  28           H        TRP  28   9.581   8.645   6.569
  231    HA   TRP  28           HA       TRP  28   7.451   7.973   4.748
  232   1HB   TRP  28          2HB       TRP  28   9.553   6.242   6.068
  233   2HB   TRP  28          1HB       TRP  28   8.439   5.693   4.822
  234    HD1  TRP  28           HD       TRP  28  11.263   8.325   5.236
  235    HE1  TRP  28           1HE      TRP  28  12.449   8.571   2.964
  236    HE3  TRP  28           3HE      TRP  28   8.320   5.217   2.438
  237    HZ2  TRP  28           2HZ      TRP  28  12.175   7.580   0.335
  238    HZ3  TRP  28           3HZ      TRP  28   8.850   4.921   0.054
  239    HH2  TRP  28           HH       TRP  28  10.737   6.078  -0.975
  240    H    LYS  29           H        LYS  29   6.413   5.657   5.279
  241    HA   LYS  29           HA       LYS  29   5.561   5.535   8.074
  242   1HB   LYS  29          2HB       LYS  29   3.678   5.827   5.725
  243   2HB   LYS  29          1HB       LYS  29   3.171   5.307   7.326
  244   1HG   LYS  29          2HG       LYS  29   4.545   7.629   7.842
  245   2HG   LYS  29          1HG       LYS  29   3.726   7.974   6.317
  246   1HD   LYS  29          2HD       LYS  29   1.787   8.225   7.375
  247   2HD   LYS  29          1HD       LYS  29   1.928   6.615   8.083
  248   1HE   LYS  29          2HE       LYS  29   3.624   7.864   9.681
  249   2HE   LYS  29          1HE       LYS  29   2.664   9.266   9.213
  250   1HZ   LYS  29          1HZ       LYS  29   0.831   8.484  10.279
  251   2HZ   LYS  29          2HZ       LYS  29   2.016   7.778  11.260
  252   3HZ   LYS  29          3HZ       LYS  29   1.245   6.856  10.070
  253    H    GLU  30           H        GLU  30   4.931   3.446   8.715
  254    HA   GLU  30           HA       GLU  30   5.342   1.376   6.657
  255   1HB   GLU  30          2HB       GLU  30   5.844   0.680   9.492
  256   2HB   GLU  30          1HB       GLU  30   6.676   0.153   8.036
  257   1HG   GLU  30          2HG       GLU  30   8.321   1.543   8.520
  258   2HG   GLU  30          1HG       GLU  30   7.213   2.894   8.294
  259    H    ALA  31           H        ALA  31   3.807  -0.057   6.349
  260    HA   ALA  31           HA       ALA  31   1.884  -0.661   8.466
  261   1HB   ALA  31          1HB       ALA  31   0.101  -0.605   6.557
  262   2HB   ALA  31          2HB       ALA  31   1.229   0.520   5.800
  263   3HB   ALA  31          3HB       ALA  31   0.549   0.885   7.386
  264    H    THR  32           H        THR  32   2.142  -2.792   8.720
  265    HA   THR  32           HA       THR  32   2.799  -4.436   6.398
  266    HB   THR  32           HB       THR  32   2.713  -5.441   9.229
  267    HG1  THR  32           1HG      THR  32   5.204  -4.886   8.580
  268   1HG2  THR  32          1HG2      THR  32   2.904  -7.102   7.436
  269   2HG2  THR  32          2HG2      THR  32   4.392  -7.018   8.380
  270   3HG2  THR  32          3HG2      THR  32   4.310  -6.254   6.792
  271    H    ILE  33           H        ILE  33   1.363  -5.608   5.404
  272    HA   ILE  33           HA       ILE  33  -1.052  -6.478   6.842
  273    HB   ILE  33           HB       ILE  33  -1.568  -6.428   4.041
  274   1HG1  ILE  33          2HG1      ILE  33  -1.450  -3.646   4.380
  275   2HG1  ILE  33          1HG1      ILE  33   0.122  -4.239   4.907
  276   1HG2  ILE  33          1HG2      ILE  33  -2.648  -5.135   6.496
  277   2HG2  ILE  33          2HG2      ILE  33  -3.413  -6.274   5.388
  278   3HG2  ILE  33          3HG2      ILE  33  -3.216  -4.586   4.919
  279   1HD1  ILE  33          1HD1      ILE  33  -0.977  -4.004   2.244
  280   2HD1  ILE  33          2HD1      ILE  33  -0.350  -5.621   2.567
  281   3HD1  ILE  33          3HD1      ILE  33   0.694  -4.214   2.766
  282    HA   PRO  34           HA       PRO  34   0.864 -10.411   5.694
  283   1HB   PRO  34          2HB       PRO  34  -1.525 -11.524   7.023
  284   2HB   PRO  34          1HB       PRO  34   0.184 -11.796   7.372
  285   1HG   PRO  34          2HG       PRO  34  -1.361 -10.335   9.003
  286   2HG   PRO  34          1HG       PRO  34   0.343  -9.932   8.727
  287   1HD   PRO  34          2HD       PRO  34  -2.115  -8.669   7.572
  288   2HD   PRO  34          1HD       PRO  34  -0.618  -7.905   8.147
  289    H    GLY  35           H        GLY  35   0.545 -10.491   3.494
  290   1HA   GLY  35          2HA       GLY  35  -0.395 -11.298   1.552
  291   2HA   GLY  35          1HA       GLY  35  -1.623 -12.080   2.539
  292    H    HIS  36           H        HIS  36  -3.552 -11.006   2.990
  293    HA   HIS  36           HA       HIS  36  -4.116  -8.334   2.398
  294   1HB   HIS  36          2HB       HIS  36  -3.821  -9.740   0.053
  295   2HB   HIS  36          1HB       HIS  36  -5.560  -9.820   0.321
  296    HD2  HIS  36           2HD      HIS  36  -3.056  -6.776   0.694
  297    HE1  HIS  36           1HE      HIS  36  -6.388  -5.675  -1.671
  298    HE2  HIS  36           2HE      HIS  36  -4.307  -4.837  -0.490
  299    H    LEU  37           H        LEU  37  -5.423  -8.260   4.149
  300    HA   LEU  37           HA       LEU  37  -7.399 -10.308   4.640
  301   1HB   LEU  37          2HB       LEU  37  -7.210  -7.656   6.053
  302   2HB   LEU  37          1HB       LEU  37  -7.907  -9.148   6.647
  303    HG   LEU  37           HG       LEU  37  -5.948  -9.078   7.841
  304   1HD1  LEU  37          1HD1      LEU  37  -4.383 -10.679   6.943
  305   2HD1  LEU  37          2HD1      LEU  37  -5.028 -10.442   5.319
  306   3HD1  LEU  37          3HD1      LEU  37  -6.031 -11.182   6.568
  307   1HD2  LEU  37          1HD2      LEU  37  -3.777  -8.479   6.305
  308   2HD2  LEU  37          2HD2      LEU  37  -4.651  -7.334   7.323
  309   3HD2  LEU  37          3HD2      LEU  37  -5.022  -7.445   5.602
  310    H    ASN  38           H        ASN  38  -7.276  -7.072   3.340
  311    HA   ASN  38           HA       ASN  38  -9.694  -7.334   1.928
  312   1HB   ASN  38          2HB       ASN  38 -11.207  -5.971   3.101
  313   2HB   ASN  38          1HB       ASN  38 -10.495  -6.985   4.353
  314   1HD2  ASN  38          1HD2      ASN  38  -8.125  -5.790   4.844
  315   2HD2  ASN  38          2HD2      ASN  38  -8.369  -4.191   5.451
  316    H    SER  39           H        SER  39 -10.453  -4.722   1.581
  317    HA   SER  39           HA       SER  39  -8.245  -3.705   0.051
  318   1HB   SER  39          2HB       SER  39 -10.841  -2.254   0.551
  319   2HB   SER  39          1HB       SER  39  -9.778  -2.143  -0.852
  320    HG   SER  39           HG       SER  39 -10.902  -4.626  -0.225
  321    H    TYR  40           H        TYR  40  -6.616  -2.775   1.139
  322    HA   TYR  40           HA       TYR  40  -7.253  -0.978   3.369
  323   1HB   TYR  40          2HB       TYR  40  -5.419  -2.972   3.268
  324   2HB   TYR  40          1HB       TYR  40  -4.424  -1.602   2.784
  325    HD1  TYR  40           1HD      TYR  40  -4.933  -3.496   5.468
  326    HD2  TYR  40           2HD      TYR  40  -5.378   0.596   4.380
  327    HE1  TYR  40           1HE      TYR  40  -4.692  -2.844   7.829
  328    HE2  TYR  40           2HE      TYR  40  -5.139   1.255   6.736
  329    HH   TYR  40           HH       TYR  40  -3.845  -0.193   8.930
  330    H    THR  41           H        THR  41  -7.515   1.066   2.774
  331    HA   THR  41           HA       THR  41  -5.546   2.236   0.923
  332    HB   THR  41           HB       THR  41  -7.579   3.846   0.388
  333    HG1  THR  41           1HG      THR  41  -8.773   1.428   1.278
  334   1HG2  THR  41          1HG2      THR  41  -7.615   1.138  -0.910
  335   2HG2  THR  41          2HG2      THR  41  -6.246   2.231  -1.117
  336   3HG2  THR  41          3HG2      THR  41  -7.856   2.724  -1.645
  337    H    ILE  42           H        ILE  42  -4.515   3.961   1.701
  338    HA   ILE  42           HA       ILE  42  -5.245   4.999   4.296
  339    HB   ILE  42           HB       ILE  42  -2.922   5.485   2.449
  340   1HG1  ILE  42          2HG1      ILE  42  -2.255   4.874   5.165
  341   2HG1  ILE  42          1HG1      ILE  42  -3.464   3.725   4.605
  342   1HG2  ILE  42          1HG2      ILE  42  -2.109   6.865   4.549
  343   2HG2  ILE  42          2HG2      ILE  42  -3.840   7.148   4.736
  344   3HG2  ILE  42          3HG2      ILE  42  -3.024   7.623   3.245
  345   1HD1  ILE  42          1HD1      ILE  42  -2.031   2.706   3.224
  346   2HD1  ILE  42          2HD1      ILE  42  -0.803   3.460   4.241
  347   3HD1  ILE  42          3HD1      ILE  42  -1.278   4.219   2.722
  348    H    LYS  43           H        LYS  43  -6.495   6.697   4.635
  349    HA   LYS  43           HA       LYS  43  -6.669   8.786   2.574
  350   1HB   LYS  43          2HB       LYS  43  -8.980   7.572   4.100
  351   2HB   LYS  43          1HB       LYS  43  -9.096   8.995   3.074
  352   1HG   LYS  43          2HG       LYS  43  -8.039   7.319   1.302
  353   2HG   LYS  43          1HG       LYS  43  -8.840   6.140   2.342
  354   1HD   LYS  43          2HD       LYS  43 -10.896   7.684   2.131
  355   2HD   LYS  43          1HD       LYS  43 -10.043   8.378   0.750
  356   1HE   LYS  43          2HE       LYS  43 -10.489   6.612  -0.547
  357   2HE   LYS  43          1HE       LYS  43 -10.074   5.466   0.726
  358   1HZ   LYS  43          1HZ       LYS  43 -12.396   5.285   0.081
  359   2HZ   LYS  43          2HZ       LYS  43 -12.660   6.907   0.484
  360   3HZ   LYS  43          3HZ       LYS  43 -12.262   5.790   1.690
  361    H    GLY  44           H        GLY  44  -6.166  10.717   3.373
  362   1HA   GLY  44          2HA       GLY  44  -7.112  12.197   5.328
  363   2HA   GLY  44          1HA       GLY  44  -6.147  11.079   6.278
  364    H    LEU  45           H        LEU  45  -5.092  12.023   3.108
  365    HA   LEU  45           HA       LEU  45  -2.663  13.106   4.181
  366   1HB   LEU  45          2HB       LEU  45  -3.707  12.949   1.352
  367   2HB   LEU  45          1HB       LEU  45  -2.114  13.536   1.778
  368    HG   LEU  45           HG       LEU  45  -1.705  11.348   1.125
  369   1HD1  LEU  45          1HD1      LEU  45  -0.868  11.915   3.451
  370   2HD1  LEU  45          2HD1      LEU  45  -0.937  10.204   3.029
  371   3HD1  LEU  45          3HD1      LEU  45  -2.184  10.909   4.056
  372   1HD2  LEU  45          1HD2      LEU  45  -3.800  10.076   2.786
  373   2HD2  LEU  45          2HD2      LEU  45  -3.140   9.594   1.225
  374   3HD2  LEU  45          3HD2      LEU  45  -4.312  10.908   1.318
  375    H    LYS  46           H        LYS  46  -2.658  15.083   1.794
  376    HA   LYS  46           HA       LYS  46  -4.409  17.154   2.884
  377   1HB   LYS  46          2HB       LYS  46  -1.749  18.200   2.268
  378   2HB   LYS  46          1HB       LYS  46  -2.792  18.523   3.644
  379   1HG   LYS  46          2HG       LYS  46  -1.892  16.814   4.899
  380   2HG   LYS  46          1HG       LYS  46  -1.336  15.924   3.483
  381   1HD   LYS  46          2HD       LYS  46   0.513  16.910   4.738
  382   2HD   LYS  46          1HD       LYS  46   0.401  17.581   3.110
  383   1HE   LYS  46          2HE       LYS  46   0.839  19.359   4.680
  384   2HE   LYS  46          1HE       LYS  46  -0.796  19.533   4.041
  385   1HZ   LYS  46          1HZ       LYS  46  -0.052  18.399   6.683
  386   2HZ   LYS  46          2HZ       LYS  46  -1.627  18.460   6.070
  387   3HZ   LYS  46          3HZ       LYS  46  -0.794  19.894   6.406
  388    HA   PRO  47           HA       PRO  47  -4.874  18.161  -1.388
  389   1HB   PRO  47          2HB       PRO  47  -5.731  20.707  -1.253
  390   2HB   PRO  47          1HB       PRO  47  -6.722  19.355  -0.691
  391   1HG   PRO  47          2HG       PRO  47  -5.035  21.253   0.895
  392   2HG   PRO  47          1HG       PRO  47  -6.668  20.655   1.239
  393   1HD   PRO  47          2HD       PRO  47  -4.422  19.640   2.406
  394   2HD   PRO  47          1HD       PRO  47  -5.894  18.687   2.128
  395    H    GLY  48           H        GLY  48  -3.612  18.821  -3.030
  396   1HA   GLY  48          2HA       GLY  48  -2.174  20.287  -4.184
  397   2HA   GLY  48          1HA       GLY  48  -1.805  21.087  -2.665
  398    H    VAL  49           H        VAL  49  -1.462  18.162  -1.613
  399    HA   VAL  49           HA       VAL  49   1.291  17.844  -2.625
  400    HB   VAL  49           HB       VAL  49   1.367  18.627  -0.341
  401   1HG1  VAL  49          1HG1      VAL  49   0.407  17.014   1.441
  402   2HG1  VAL  49          2HG1      VAL  49  -0.628  16.451   0.128
  403   3HG1  VAL  49          3HG1      VAL  49  -0.676  18.142   0.626
  404   1HG2  VAL  49          1HG2      VAL  49   2.488  16.631   0.745
  405   2HG2  VAL  49          2HG2      VAL  49   3.111  17.112  -0.833
  406   3HG2  VAL  49          3HG2      VAL  49   2.040  15.717  -0.695
  407    H    VAL  50           H        VAL  50   1.919  15.874  -3.299
  408    HA   VAL  50           HA       VAL  50  -0.062  13.708  -3.143
  409    HB   VAL  50           HB       VAL  50   2.255  14.068  -5.051
  410   1HG1  VAL  50          1HG1      VAL  50   0.666  11.740  -4.345
  411   2HG1  VAL  50          2HG1      VAL  50   2.147  11.850  -5.296
  412   3HG1  VAL  50          3HG1      VAL  50   0.582  12.120  -6.065
  413   1HG2  VAL  50          1HG2      VAL  50  -0.478  14.971  -5.079
  414   2HG2  VAL  50          2HG2      VAL  50  -0.165  13.879  -6.431
  415   3HG2  VAL  50          3HG2      VAL  50   0.830  15.320  -6.211
  416    H    TYR  51           H        TYR  51   0.471  11.715  -2.321
  417    HA   TYR  51           HA       TYR  51   3.049  11.602  -0.913
  418   1HB   TYR  51          2HB       TYR  51   0.384  10.308  -0.374
  419   2HB   TYR  51          1HB       TYR  51   1.861   9.744   0.399
  420    HD1  TYR  51           1HD      TYR  51   0.011  12.943  -0.188
  421    HD2  TYR  51           2HD      TYR  51   2.389  10.620   2.468
  422    HE1  TYR  51           1HE      TYR  51  -0.248  14.669   1.543
  423    HE2  TYR  51           2HE      TYR  51   2.138  12.343   4.206
  424    HH   TYR  51           HH       TYR  51   0.210  14.251   4.642
  425    H    GLU  52           H        GLU  52   4.559  10.349  -1.724
  426    HA   GLU  52           HA       GLU  52   3.896   8.346  -3.721
  427   1HB   GLU  52          2HB       GLU  52   5.923   8.841  -4.527
  428   2HB   GLU  52          1HB       GLU  52   6.107  10.019  -3.239
  429   1HG   GLU  52          2HG       GLU  52   7.946   8.832  -2.771
  430   2HG   GLU  52          1HG       GLU  52   6.815   7.773  -1.931
  431    H    GLY  53           H        GLY  53   4.050   6.141  -3.458
  432   1HA   GLY  53          2HA       GLY  53   5.062   5.155  -0.885
  433   2HA   GLY  53          1HA       GLY  53   3.404   4.788  -1.320
  434    H    GLN  54           H        GLN  54   5.746   3.082  -0.821
  435    HA   GLN  54           HA       GLN  54   5.586   1.473  -3.267
  436   1HB   GLN  54          2HB       GLN  54   8.072   0.863  -2.197
  437   2HB   GLN  54          1HB       GLN  54   7.775   1.844  -3.628
  438   1HG   GLN  54          2HG       GLN  54   8.021   3.836  -2.469
  439   2HG   GLN  54          1HG       GLN  54   7.772   3.065  -0.902
  440   1HE2  GLN  54          1HE2      GLN  54  10.025   3.659  -3.485
  441   2HE2  GLN  54          2HE2      GLN  54  11.449   3.187  -2.626
  442    H    LEU  55           H        LEU  55   5.234  -0.679  -2.893
  443    HA   LEU  55           HA       LEU  55   4.905  -1.440  -0.077
  444   1HB   LEU  55          2HB       LEU  55   3.527  -2.091  -2.579
  445   2HB   LEU  55          1HB       LEU  55   3.826  -3.483  -1.556
  446    HG   LEU  55           HG       LEU  55   2.560  -1.030  -0.397
  447   1HD1  LEU  55          1HD1      LEU  55   1.211  -1.451  -2.331
  448   2HD1  LEU  55          2HD1      LEU  55   0.353  -2.052  -0.914
  449   3HD1  LEU  55          3HD1      LEU  55   1.177  -3.181  -1.989
  450   1HD2  LEU  55          1HD2      LEU  55   1.643  -3.689   0.375
  451   2HD2  LEU  55          2HD2      LEU  55   2.174  -2.335   1.376
  452   3HD2  LEU  55          3HD2      LEU  55   3.363  -3.425   0.664
  453    H    ILE  56           H        ILE  56   6.705  -2.352   0.728
  454    HA   ILE  56           HA       ILE  56   8.273  -4.170  -0.947
  455    HB   ILE  56           HB       ILE  56   8.860  -3.095   1.816
  456   1HG1  ILE  56          2HG1      ILE  56  10.813  -2.207   0.075
  457   2HG1  ILE  56          1HG1      ILE  56   9.349  -2.111  -0.897
  458   1HG2  ILE  56          1HG2      ILE  56  11.174  -3.999   1.294
  459   2HG2  ILE  56          2HG2      ILE  56  10.413  -4.916  -0.007
  460   3HG2  ILE  56          3HG2      ILE  56   9.931  -5.194   1.666
  461   1HD1  ILE  56          1HD1      ILE  56   8.404  -0.512   0.439
  462   2HD1  ILE  56          2HD1      ILE  56  10.114  -0.090   0.549
  463   3HD1  ILE  56          3HD1      ILE  56   9.341  -0.986   1.855
  464    H    SER  57           H        SER  57   7.877  -6.261  -0.877
  465    HA   SER  57           HA       SER  57   6.403  -7.361   1.395
  466   1HB   SER  57          2HB       SER  57   5.956  -7.553  -1.304
  467   2HB   SER  57          1HB       SER  57   6.771  -9.076  -0.949
  468    HG   SER  57           HG       SER  57   4.699  -9.520  -0.519
  469    H    ILE  58           H        ILE  58   7.254  -8.785   2.723
  470    HA   ILE  58           HA       ILE  58   9.869  -9.964   2.051
  471    HB   ILE  58           HB       ILE  58   8.768  -9.480   4.822
  472   1HG1  ILE  58          2HG1      ILE  58  10.895  -7.923   3.333
  473   2HG1  ILE  58          1HG1      ILE  58   9.241  -7.371   3.577
  474   1HG2  ILE  58          1HG2      ILE  58  11.220 -10.738   3.735
  475   2HG2  ILE  58          2HG2      ILE  58  10.298 -11.117   5.191
  476   3HG2  ILE  58          3HG2      ILE  58  11.397  -9.737   5.176
  477   1HD1  ILE  58          1HD1      ILE  58  10.691  -8.138   6.015
  478   2HD1  ILE  58          2HD1      ILE  58   9.621  -6.770   5.706
  479   3HD1  ILE  58          3HD1      ILE  58  11.301  -6.715   5.171
  480    H    GLN  59           H        GLN  59  10.000 -12.117   1.926
  481    HA   GLN  59           HA       GLN  59   7.744 -13.701   2.966
  482   1HB   GLN  59          2HB       GLN  59   8.875 -15.338   1.107
  483   2HB   GLN  59          1HB       GLN  59   7.506 -14.280   0.799
  484   1HG   GLN  59          2HG       GLN  59   9.050 -12.552  -0.018
  485   2HG   GLN  59          1HG       GLN  59  10.398 -13.656   0.245
  486   1HE2  GLN  59          1HE2      GLN  59   9.352 -16.019  -0.662
  487   2HE2  GLN  59          2HE2      GLN  59   9.047 -15.907  -2.358
  488    H    GLN  60           H        GLN  60   8.581 -16.178   2.975
  489    HA   GLN  60           HA       GLN  60  10.467 -16.267   5.115
  490   1HB   GLN  60          2HB       GLN  60  10.183 -18.772   4.850
  491   2HB   GLN  60          1HB       GLN  60   8.719 -17.862   5.196
  492   1HG   GLN  60          2HG       GLN  60   7.901 -18.114   3.033
  493   2HG   GLN  60          1HG       GLN  60   9.483 -18.539   2.383
  494   1HE2  GLN  60          1HE2      GLN  60   8.421 -20.360   1.428
  495   2HE2  GLN  60          2HE2      GLN  60   8.114 -21.777   2.367
  496    H    TYR  61           H        TYR  61  10.852 -16.095   1.803
  497    HA   TYR  61           HA       TYR  61  13.319 -17.660   1.762
  498   1HB   TYR  61          2HB       TYR  61  11.346 -16.968  -0.189
  499   2HB   TYR  61          1HB       TYR  61  12.903 -16.339  -0.719
  500    HD1  TYR  61           1HD      TYR  61  11.009 -19.380   0.102
  501    HD2  TYR  61           2HD      TYR  61  14.694 -17.826  -1.346
  502    HE1  TYR  61           1HE      TYR  61  11.643 -21.625  -0.677
  503    HE2  TYR  61           2HE      TYR  61  15.337 -20.066  -2.131
  504    HH   TYR  61           HH       TYR  61  13.853 -22.853  -1.151
  505    H    GLY  62           H        GLY  62  12.403 -14.591   2.554
  506   1HA   GLY  62          2HA       GLY  62  13.706 -12.763   3.101
  507   2HA   GLY  62          1HA       GLY  62  15.110 -13.639   2.515
  508    H    HIS  63           H        HIS  63  12.249 -13.065   0.565
  509    HA   HIS  63           HA       HIS  63  13.893 -11.619  -1.351
  510   1HB   HIS  63          2HB       HIS  63  11.259 -13.001  -1.431
  511   2HB   HIS  63          1HB       HIS  63  11.522 -11.686  -2.572
  512    HD2  HIS  63           2HD      HIS  63  13.659 -14.864  -1.559
  513    HE1  HIS  63           1HE      HIS  63  13.745 -14.291  -5.751
  514    HE2  HIS  63           2HE      HIS  63  14.400 -15.833  -3.848
  515    H    GLN  64           H        GLN  64  12.410  -9.849  -2.579
  516    HA   GLN  64           HA       GLN  64  11.001  -8.177  -0.666
  517   1HB   GLN  64          2HB       GLN  64  13.637  -7.453  -1.903
  518   2HB   GLN  64          1HB       GLN  64  12.474  -6.198  -1.497
  519   1HG   GLN  64          2HG       GLN  64  13.080  -6.249   0.627
  520   2HG   GLN  64          1HG       GLN  64  12.780  -7.984   0.719
  521   1HE2  GLN  64          1HE2      GLN  64  14.524  -8.527   1.936
  522   2HE2  GLN  64          2HE2      GLN  64  16.160  -8.369   1.402
  523    H    GLU  65           H        GLU  65   9.150  -7.987  -1.760
  524    HA   GLU  65           HA       GLU  65   9.208  -7.382  -4.628
  525   1HB   GLU  65          2HB       GLU  65   7.640  -9.120  -3.285
  526   2HB   GLU  65          1HB       GLU  65   6.630  -7.685  -3.180
  527   1HG   GLU  65          2HG       GLU  65   7.742  -8.451  -5.830
  528   2HG   GLU  65          1HG       GLU  65   6.400  -9.384  -5.168
  529    H    VAL  66           H        VAL  66   8.922  -5.347  -5.328
  530    HA   VAL  66           HA       VAL  66   7.647  -3.454  -3.476
  531    HB   VAL  66           HB       VAL  66   9.815  -2.848  -3.155
  532   1HG1  VAL  66          1HG1      VAL  66  11.608  -3.061  -4.695
  533   2HG1  VAL  66          2HG1      VAL  66  10.498  -3.314  -6.042
  534   3HG1  VAL  66          3HG1      VAL  66  10.647  -4.539  -4.781
  535   1HG2  VAL  66          1HG2      VAL  66   8.341  -1.093  -4.647
  536   2HG2  VAL  66          2HG2      VAL  66   9.846  -1.184  -5.562
  537   3HG2  VAL  66          3HG2      VAL  66   9.875  -0.719  -3.861
  538    H    THR  67           H        THR  67   6.221  -2.090  -4.278
  539    HA   THR  67           HA       THR  67   6.067  -1.639  -7.173
  540    HB   THR  67           HB       THR  67   3.688  -2.364  -5.443
  541    HG1  THR  67           1HG      THR  67   3.995  -3.980  -7.535
  542   1HG2  THR  67          1HG2      THR  67   2.344  -1.618  -7.068
  543   2HG2  THR  67          2HG2      THR  67   3.313  -2.387  -8.325
  544   3HG2  THR  67          3HG2      THR  67   3.755  -0.789  -7.723
  545    H    ARG  68           H        ARG  68   6.008   0.480  -7.560
  546    HA   ARG  68           HA       ARG  68   5.525   2.338  -5.394
  547   1HB   ARG  68          2HB       ARG  68   5.990   3.221  -8.210
  548   2HB   ARG  68          1HB       ARG  68   6.553   3.937  -6.706
  549   1HG   ARG  68          2HG       ARG  68   7.969   1.781  -6.493
  550   2HG   ARG  68          1HG       ARG  68   7.662   1.618  -8.224
  551   1HD   ARG  68          2HD       ARG  68   9.568   2.844  -8.343
  552   2HD   ARG  68          1HD       ARG  68   8.417   4.171  -8.193
  553    HE   ARG  68           HE       ARG  68   9.098   3.533  -5.618
  554   1HH1  ARG  68          1HH1      ARG  68  10.840   4.475  -8.485
  555   2HH1  ARG  68          2HH1      ARG  68  12.102   5.278  -7.612
  556   1HH2  ARG  68          1HH2      ARG  68  10.754   4.590  -4.460
  557   2HH2  ARG  68          2HH2      ARG  68  12.053   5.343  -5.324
  558    H    PHE  69           H        PHE  69   3.945   3.937  -5.341
  559    HA   PHE  69           HA       PHE  69   1.907   4.082  -7.374
  560   1HB   PHE  69          2HB       PHE  69   0.112   3.680  -5.520
  561   2HB   PHE  69          1HB       PHE  69   0.841   2.301  -6.334
  562    HD1  PHE  69           1HD      PHE  69   1.001   4.351  -3.248
  563    HD2  PHE  69           2HD      PHE  69   1.990   0.664  -5.131
  564    HE1  PHE  69           1HE      PHE  69   1.690   3.427  -1.070
  565    HE2  PHE  69           2HE      PHE  69   2.677  -0.265  -2.958
  566    HZ   PHE  69           HZ       PHE  69   2.526   1.116  -0.926
  567    H    ASP  70           H        ASP  70   0.785   5.993  -7.322
  568    HA   ASP  70           HA       ASP  70   1.513   7.861  -5.159
  569   1HB   ASP  70          2HB       ASP  70   0.782   8.533  -8.019
  570   2HB   ASP  70          1HB       ASP  70   1.283   9.676  -6.776
  571    H    PHE  71           H        PHE  71  -0.111   8.508  -3.891
  572    HA   PHE  71           HA       PHE  71  -2.803   8.698  -5.024
  573   1HB   PHE  71          2HB       PHE  71  -3.795   7.480  -3.158
  574   2HB   PHE  71          1HB       PHE  71  -2.642   6.461  -4.013
  575    HD1  PHE  71           1HD      PHE  71  -0.527   5.840  -2.984
  576    HD2  PHE  71           2HD      PHE  71  -3.387   8.206  -0.902
  577    HE1  PHE  71           1HE      PHE  71   0.641   5.383  -0.868
  578    HE2  PHE  71           2HE      PHE  71  -2.224   7.753   1.218
  579    HZ   PHE  71           HZ       PHE  71  -0.207   6.340   1.237
  580    H    THR  72           H        THR  72  -4.233  10.055  -3.898
  581    HA   THR  72           HA       THR  72  -3.187  11.621  -1.666
  582    HB   THR  72           HB       THR  72  -3.573  13.748  -2.665
  583    HG1  THR  72           1HG      THR  72  -4.164  13.078  -5.210
  584   1HG2  THR  72          1HG2      THR  72  -1.561  12.142  -3.498
  585   2HG2  THR  72          2HG2      THR  72  -1.729  13.834  -3.967
  586   3HG2  THR  72          3HG2      THR  72  -2.302  12.560  -5.043
  587    H    THR  73           H        THR  73  -4.776  12.428  -0.325
  588    HA   THR  73           HA       THR  73  -7.343  11.207  -0.498
  589    HB   THR  73           HB       THR  73  -6.274  11.695   1.669
  590    HG1  THR  73           1HG      THR  73  -8.636  11.597   1.385
  591   1HG2  THR  73          1HG2      THR  73  -6.387  14.460   0.620
  592   2HG2  THR  73          2HG2      THR  73  -5.211  13.700   1.692
  593   3HG2  THR  73          3HG2      THR  73  -6.759  14.251   2.331
  594    H    THR  74           H        THR  74  -6.041  14.286  -1.442
  595    HA   THR  74           HA       THR  74  -8.271  14.934  -3.046
  596    HB   THR  74           HB       THR  74  -9.454  15.507  -1.054
  597    HG1  THR  74           1HG      THR  74  -9.303  17.117  -2.882
  598   1HG2  THR  74          1HG2      THR  74  -8.582  16.457   0.808
  599   2HG2  THR  74          2HG2      THR  74  -7.544  17.550  -0.107
  600   3HG2  THR  74          3HG2      THR  74  -7.060  15.871   0.134
  601    H    SER  75           H        SER  75  -5.878  14.852  -3.968
  602    HA   SER  75           HA       SER  75  -5.020  17.655  -4.191
  603   1HB   SER  75          2HB       SER  75  -3.445  16.382  -2.734
  604   2HB   SER  75          1HB       SER  75  -3.128  15.294  -4.085
  605    HG   SER  75           HG       SER  75  -2.795  17.711  -5.025
  606    H    THR  76           H        THR  76  -3.444  14.927  -5.734
  607    HA   THR  76           HA       THR  76  -4.897  15.100  -8.188
  608    HB   THR  76           HB       THR  76  -3.567  17.212  -8.284
  609    HG1  THR  76           1HG      THR  76  -3.893  16.675 -10.313
  610   1HG2  THR  76          1HG2      THR  76  -1.046  16.299  -9.031
  611   2HG2  THR  76          2HG2      THR  76  -1.433  15.389  -7.571
  612   3HG2  THR  76          3HG2      THR  76  -1.460  17.152  -7.544
  613    H    SER  77           H        SER  77  -3.281  14.089 -10.010
  614    HA   SER  77           HA       SER  77  -2.338  12.165 -10.756
  615   1HB   SER  77          2HB       SER  77  -0.852  12.604  -8.177
  616   2HB   SER  77          1HB       SER  77  -0.526  11.189  -9.178
  617    HG   SER  77           HG       SER  77   0.820  13.049  -9.625
  618    H    THR  78           H        THR  78  -4.781  11.661 -10.004
  619    HA   THR  78           HA       THR  78  -4.604   9.024  -8.750
  620    HB   THR  78           HB       THR  78  -7.065  10.017  -7.867
  621    HG1  THR  78           1HG      THR  78  -4.962  11.897  -7.451
  622   1HG2  THR  78          1HG2      THR  78  -4.456   9.639  -6.393
  623   2HG2  THR  78          2HG2      THR  78  -5.707   8.424  -6.653
  624   3HG2  THR  78          3HG2      THR  78  -6.032   9.817  -5.622
  625    HA   PRO  79           HA       PRO  79  -7.013   9.225 -12.798
  626   1HB   PRO  79          2HB       PRO  79  -5.657   6.588 -13.017
  627   2HB   PRO  79          1HB       PRO  79  -5.861   7.854 -14.233
  628   1HG   PRO  79          2HG       PRO  79  -3.501   7.465 -13.067
  629   2HG   PRO  79          1HG       PRO  79  -4.081   9.103 -13.423
  630   1HD   PRO  79          2HD       PRO  79  -4.013   7.641 -10.815
  631   2HD   PRO  79          1HD       PRO  79  -3.684   9.353 -11.158
  632    H    GLY  80           H        GLY  80  -6.352   6.138 -11.119
  633   1HA   GLY  80          2HA       GLY  80  -8.152   5.200  -9.710
  634   2HA   GLY  80          1HA       GLY  80  -9.276   5.742 -10.946
  635    H    SER  81           H        SER  81  -8.316   4.896 -13.261
  636    HA   SER  81           HA       SER  81  -8.593   2.026 -13.062
  637   1HB   SER  81          2HB       SER  81  -8.630   2.118 -15.554
  638   2HB   SER  81          1HB       SER  81  -9.828   3.177 -14.809
  639    HG   SER  81           HG       SER  81  -8.694   4.912 -15.403
  640    H    ARG  82           H        ARG  82  -6.649   1.375 -12.097
  641    HA   ARG  82           HA       ARG  82  -4.122   2.041 -13.315
  642   1HB   ARG  82          2HB       ARG  82  -4.854   0.138 -11.086
  643   2HB   ARG  82          1HB       ARG  82  -3.205   0.435 -11.620
  644   1HG   ARG  82          2HG       ARG  82  -4.925   2.729 -10.796
  645   2HG   ARG  82          1HG       ARG  82  -4.166   1.711  -9.571
  646   1HD   ARG  82          2HD       ARG  82  -2.863   3.416 -11.669
  647   2HD   ARG  82          1HD       ARG  82  -2.646   3.462  -9.921
  648    HE   ARG  82           HE       ARG  82  -1.378   1.649 -11.795
  649   1HH1  ARG  82          1HH1      ARG  82  -2.091   2.397  -8.466
  650   2HH1  ARG  82          2HH1      ARG  82  -0.808   1.417  -7.838
  651   1HH2  ARG  82          1HH2      ARG  82   0.310   0.356 -10.977
  652   2HH2  ARG  82          2HH2      ARG  82   0.556   0.256  -9.265
  653    H    SER  83           H        SER  83  -6.196  -0.823 -13.088
  654    HA   SER  83           HA       SER  83  -4.931  -1.877 -15.493
  655   1HB   SER  83          2HB       SER  83  -3.805  -2.813 -13.362
  656   2HB   SER  83          1HB       SER  83  -5.300  -3.721 -13.145
  657    HG   SER  83           HG       SER  83  -3.379  -4.590 -14.479
  658    H    HIS  84           H        HIS  84  -7.311  -2.692 -12.961
  659    HA   HIS  84           HA       HIS  84  -9.245  -3.253 -15.107
  660   1HB   HIS  84          2HB       HIS  84  -8.355  -4.989 -12.888
  661   2HB   HIS  84          1HB       HIS  84 -10.095  -4.930 -13.151
  662    HD2  HIS  84           2HD      HIS  84  -6.996  -5.459 -15.560
  663    HE1  HIS  84           1HE      HIS  84 -10.135  -8.111 -16.570
  664    HE2  HIS  84           2HE      HIS  84  -7.720  -7.482 -17.013
  665    H    HIS  85           H        HIS  85  -9.931  -1.050 -14.700
  666    HA   HIS  85           HA       HIS  85 -11.285   0.535 -13.800
  667   1HB   HIS  85          2HB       HIS  85 -12.615  -2.047 -13.153
  668   2HB   HIS  85          1HB       HIS  85 -13.239  -0.596 -12.375
  669    HD2  HIS  85           2HD      HIS  85 -15.317  -1.794 -14.331
  670    HE1  HIS  85           1HE      HIS  85 -13.821   0.888 -17.243
  671    HE2  HIS  85           2HE      HIS  85 -15.821  -0.488 -16.515
  672    H    HIS  86           H        HIS  86 -12.448  -0.971 -11.022
  673    HA   HIS  86           HA       HIS  86 -10.948   0.825  -9.340
  674   1HB   HIS  86          2HB       HIS  86 -12.980  -1.267  -8.543
  675   2HB   HIS  86          1HB       HIS  86 -12.407   0.071  -7.554
  676    HD2  HIS  86           2HD      HIS  86 -14.140   2.091  -7.530
  677    HE1  HIS  86           1HE      HIS  86 -15.853   1.420 -11.342
  678    HE2  HIS  86           2HE      HIS  86 -15.779   2.971  -9.337
  679    H    HIS  87           H        HIS  87 -10.737  -2.461 -10.299
  680    HA   HIS  87           HA       HIS  87  -9.323  -4.159  -9.764
  681   1HB   HIS  87          2HB       HIS  87  -7.774  -1.942  -9.845
  682   2HB   HIS  87          1HB       HIS  87  -7.493  -2.450  -8.182
  683    HD2  HIS  87           2HD      HIS  87  -7.160  -4.028 -11.781
  684    HE1  HIS  87           1HE      HIS  87  -4.366  -5.796  -9.140
  685    HE2  HIS  87           2HE      HIS  87  -5.084  -5.569 -11.561
  686    H    HIS  88           H        HIS  88 -11.498  -3.657  -8.028
  687    HA   HIS  88           HA       HIS  88 -10.704  -3.781  -5.297
  688   1HB   HIS  88          2HB       HIS  88 -13.011  -3.153  -6.395
  689   2HB   HIS  88          1HB       HIS  88 -13.322  -4.879  -6.253
  690    HD2  HIS  88           2HD      HIS  88 -13.024  -1.717  -4.042
  691    HE1  HIS  88           1HE      HIS  88 -14.163  -4.988  -1.609
  692    HE2  HIS  88           2HE      HIS  88 -14.010  -2.461  -1.761
  693    H    HIS  89           H        HIS  89  -9.967  -5.453  -4.173
  694    HA   HIS  89           HA       HIS  89  -9.284  -7.552  -3.625
  695   1HB   HIS  89          2HB       HIS  89 -12.021  -7.633  -3.942
  696   2HB   HIS  89          1HB       HIS  89 -11.477  -8.974  -4.944
  697    HD2  HIS  89           2HD      HIS  89 -10.462  -7.834  -1.289
  698    HE1  HIS  89           1HE      HIS  89 -11.174 -12.003  -1.403
  699    HE2  HIS  89           2HE      HIS  89 -10.352 -10.071   0.017
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1 -22.410  -1.758  -0.984
    2   2H    MET   1          2HT       MET   1 -21.460  -0.408  -0.614
    3   3H    MET   1          3HT       MET   1 -22.414  -1.125   0.585
    4    HA   MET   1           HA       MET   1 -20.006  -1.658   0.737
    5   1HB   MET   1          2HB       MET   1 -22.288  -3.532   0.638
    6   2HB   MET   1          1HB       MET   1 -20.700  -4.284   0.628
    7   1HG   MET   1          2HG       MET   1 -20.736  -2.252   2.620
    8   2HG   MET   1          1HG       MET   1 -22.155  -3.280   2.823
    9   1HE   MET   1          1HE       MET   1 -21.473  -5.074   5.066
   10   2HE   MET   1          2HE       MET   1 -21.051  -3.361   5.076
   11   3HE   MET   1          3HE       MET   1 -19.854  -4.566   5.551
   12    H    ARG   2           H        ARG   2 -18.330  -3.108  -0.039
   13    HA   ARG   2           HA       ARG   2 -18.344  -3.273  -2.967
   14   1HB   ARG   2          2HB       ARG   2 -16.499  -2.130  -1.426
   15   2HB   ARG   2          1HB       ARG   2 -15.875  -3.773  -1.377
   16   1HG   ARG   2          2HG       ARG   2 -14.993  -3.565  -3.396
   17   2HG   ARG   2          1HG       ARG   2 -16.533  -3.033  -4.075
   18   1HD   ARG   2          2HD       ARG   2 -14.769  -1.183  -2.502
   19   2HD   ARG   2          1HD       ARG   2 -14.541  -1.431  -4.232
   20    HE   ARG   2           HE       ARG   2 -16.617  -0.394  -4.631
   21   1HH1  ARG   2          1HH1      ARG   2 -15.762  -0.448  -1.252
   22   2HH1  ARG   2          2HH1      ARG   2 -16.905   0.776  -0.811
   23   1HH2  ARG   2          1HH2      ARG   2 -18.122   1.220  -4.060
   24   2HH2  ARG   2          2HH2      ARG   2 -18.246   1.724  -2.407
   25    H    GLY   3           H        GLY   3 -17.017  -5.144  -3.871
   26   1HA   GLY   3          2HA       GLY   3 -17.382  -7.596  -2.287
   27   2HA   GLY   3          1HA       GLY   3 -18.088  -7.498  -3.893
   28    H    SER   4           H        SER   4 -16.746  -9.420  -4.268
   29    HA   SER   4           HA       SER   4 -14.049  -8.626  -5.127
   30   1HB   SER   4          2HB       SER   4 -13.437 -11.093  -4.544
   31   2HB   SER   4          1HB       SER   4 -13.504  -9.899  -3.249
   32    HG   SER   4           HG       SER   4 -15.834 -10.681  -3.137
   33    H    ASN   5           H        ASN   5 -13.357  -9.451  -7.061
   34    HA   ASN   5           HA       ASN   5 -15.414 -10.666  -8.726
   35   1HB   ASN   5          2HB       ASN   5 -12.919  -9.133  -9.209
   36   2HB   ASN   5          1HB       ASN   5 -13.359 -10.324 -10.429
   37   1HD2  ASN   5          1HD2      ASN   5 -14.316  -7.394  -8.804
   38   2HD2  ASN   5          2HD2      ASN   5 -15.503  -6.906  -9.960
   39    H    ALA   6           H        ALA   6 -12.141 -11.334  -7.568
   40    HA   ALA   6           HA       ALA   6 -12.591 -14.172  -7.886
   41   1HB   ALA   6          1HB       ALA   6 -10.335 -14.358  -9.133
   42   2HB   ALA   6          2HB       ALA   6 -10.628 -12.678  -9.579
   43   3HB   ALA   6          3HB       ALA   6 -11.782 -13.928 -10.045
   44    HA   PRO   7           HA       PRO   7 -10.229 -13.609  -4.085
   45   1HB   PRO   7          2HB       PRO   7 -10.420 -16.208  -3.279
   46   2HB   PRO   7          1HB       PRO   7 -11.709 -15.022  -3.047
   47   1HG   PRO   7          2HG       PRO   7 -11.410 -17.100  -5.186
   48   2HG   PRO   7          1HG       PRO   7 -12.854 -16.650  -4.257
   49   1HD   PRO   7          2HD       PRO   7 -12.455 -15.768  -6.765
   50   2HD   PRO   7          1HD       PRO   7 -13.237 -14.756  -5.532
   51    H    GLN   8           H        GLN   8  -8.107 -13.878  -3.613
   52    HA   GLN   8           HA       GLN   8  -6.486 -15.334  -5.542
   53   1HB   GLN   8          2HB       GLN   8  -5.692 -13.489  -3.282
   54   2HB   GLN   8          1HB       GLN   8  -4.576 -14.208  -4.435
   55   1HG   GLN   8          2HG       GLN   8  -5.990 -13.065  -6.232
   56   2HG   GLN   8          1HG       GLN   8  -6.673 -12.124  -4.909
   57   1HE2  GLN   8          1HE2      GLN   8  -3.961 -12.634  -6.948
   58   2HE2  GLN   8          2HE2      GLN   8  -3.000 -11.320  -6.372
   59    HA   PRO   9           HA       PRO   9  -6.084 -18.727  -2.685
   60   1HB   PRO   9          2HB       PRO   9  -4.444 -20.267  -4.161
   61   2HB   PRO   9          1HB       PRO   9  -6.147 -20.045  -4.576
   62   1HG   PRO   9          2HG       PRO   9  -3.724 -18.746  -5.748
   63   2HG   PRO   9          1HG       PRO   9  -5.177 -19.350  -6.563
   64   1HD   PRO   9          2HD       PRO   9  -4.730 -16.706  -5.970
   65   2HD   PRO   9          1HD       PRO   9  -6.341 -17.421  -6.174
   66    H    SER  10           H        SER  10  -3.059 -17.785  -4.347
   67    HA   SER  10           HA       SER  10  -1.574 -18.331  -1.893
   68   1HB   SER  10          2HB       SER  10  -0.967 -18.369  -4.738
   69   2HB   SER  10          1HB       SER  10   0.245 -17.477  -3.820
   70    HG   SER  10           HG       SER  10   0.949 -19.488  -3.600
   71    H    HIS  11           H        HIS  11  -0.441 -16.815  -0.752
   72    HA   HIS  11           HA       HIS  11  -0.507 -14.041  -1.687
   73   1HB   HIS  11          2HB       HIS  11  -0.973 -13.605   0.928
   74   2HB   HIS  11          1HB       HIS  11  -2.254 -13.711  -0.273
   75    HD2  HIS  11           2HD      HIS  11  -4.237 -15.130   0.800
   76    HE1  HIS  11           1HE      HIS  11  -1.861 -18.026   2.770
   77    HE2  HIS  11           2HE      HIS  11  -4.219 -17.174   2.398
   78    H    ILE  12           H        ILE  12   0.662 -12.711   0.272
   79    HA   ILE  12           HA       ILE  12   3.293 -13.999   0.508
   80    HB   ILE  12           HB       ILE  12   3.448 -11.926  -0.653
   81   1HG1  ILE  12          2HG1      ILE  12   4.278 -10.708   1.863
   82   2HG1  ILE  12          1HG1      ILE  12   4.799 -12.387   1.738
   83   1HG2  ILE  12          1HG2      ILE  12   1.457 -11.062   1.324
   84   2HG2  ILE  12          2HG2      ILE  12   1.667 -10.588  -0.360
   85   3HG2  ILE  12          3HG2      ILE  12   2.664  -9.850   0.894
   86   1HD1  ILE  12          1HD1      ILE  12   5.721 -10.018   0.303
   87   2HD1  ILE  12          2HD1      ILE  12   5.460 -11.434  -0.716
   88   3HD1  ILE  12          3HD1      ILE  12   6.554 -11.529   0.664
   89    H    SER  13           H        SER  13   4.457 -13.931   2.469
   90    HA   SER  13           HA       SER  13   3.062 -14.470   4.801
   91   1HB   SER  13          2HB       SER  13   5.824 -14.118   4.041
   92   2HB   SER  13          1HB       SER  13   5.530 -13.361   5.608
   93    HG   SER  13           HG       SER  13   5.434 -15.278   6.442
   94    H    LYS  14           H        LYS  14   4.568 -11.430   3.753
   95    HA   LYS  14           HA       LYS  14   2.586  -9.909   5.170
   96   1HB   LYS  14          2HB       LYS  14   4.423  -8.596   6.412
   97   2HB   LYS  14          1HB       LYS  14   3.910 -10.141   7.076
   98   1HG   LYS  14          2HG       LYS  14   5.870 -11.208   6.453
   99   2HG   LYS  14          1HG       LYS  14   6.266  -9.986   5.241
  100   1HD   LYS  14          2HD       LYS  14   6.134  -9.286   8.154
  101   2HD   LYS  14          1HD       LYS  14   7.587 -10.007   7.460
  102   1HE   LYS  14          2HE       LYS  14   7.296  -8.115   5.669
  103   2HE   LYS  14          1HE       LYS  14   6.354  -7.340   6.942
  104   1HZ   LYS  14          1HZ       LYS  14   8.430  -7.910   8.372
  105   2HZ   LYS  14          2HZ       LYS  14   8.445  -6.550   7.368
  106   3HZ   LYS  14          3HZ       LYS  14   9.221  -7.969   6.878
  107    H    TYR  15           H        TYR  15   2.407  -7.836   4.445
  108    HA   TYR  15           HA       TYR  15   4.238  -7.007   2.289
  109   1HB   TYR  15          2HB       TYR  15   1.461  -7.500   2.177
  110   2HB   TYR  15          1HB       TYR  15   1.639  -5.751   2.140
  111    HD1  TYR  15           1HD      TYR  15   0.895  -8.134   0.027
  112    HD2  TYR  15           2HD      TYR  15   4.102  -5.394   0.582
  113    HE1  TYR  15           1HE      TYR  15   1.396  -8.245  -2.376
  114    HE2  TYR  15           2HE      TYR  15   4.611  -5.498  -1.821
  115    HH   TYR  15           HH       TYR  15   4.025  -6.323  -3.796
  116    H    ILE  16           H        ILE  16   5.152  -5.005   2.517
  117    HA   ILE  16           HA       ILE  16   4.125  -3.333   4.717
  118    HB   ILE  16           HB       ILE  16   6.943  -3.681   3.715
  119   1HG1  ILE  16          2HG1      ILE  16   6.097  -5.224   5.469
  120   2HG1  ILE  16          1HG1      ILE  16   7.425  -4.218   6.035
  121   1HG2  ILE  16          1HG2      ILE  16   5.752  -1.244   4.586
  122   2HG2  ILE  16          2HG2      ILE  16   7.442  -1.565   4.192
  123   3HG2  ILE  16          3HG2      ILE  16   6.864  -1.796   5.841
  124   1HD1  ILE  16          1HD1      ILE  16   5.267  -2.724   6.749
  125   2HD1  ILE  16          2HD1      ILE  16   6.109  -3.862   7.802
  126   3HD1  ILE  16          3HD1      ILE  16   4.653  -4.366   6.944
  127    H    LEU  17           H        LEU  17   3.537  -1.319   4.320
  128    HA   LEU  17           HA       LEU  17   3.941  -0.287   1.596
  129   1HB   LEU  17          2HB       LEU  17   1.586  -0.707   2.796
  130   2HB   LEU  17          1HB       LEU  17   1.922   0.898   3.417
  131    HG   LEU  17           HG       LEU  17   2.425   1.101   0.681
  132   1HD1  LEU  17          1HD1      LEU  17   0.912  -1.163   0.943
  133   2HD1  LEU  17          2HD1      LEU  17   0.983  -0.140  -0.492
  134   3HD1  LEU  17          3HD1      LEU  17  -0.313   0.079   0.684
  135   1HD2  LEU  17          1HD2      LEU  17   0.104   1.903   2.419
  136   2HD2  LEU  17          2HD2      LEU  17   0.251   2.395   0.731
  137   3HD2  LEU  17          3HD2      LEU  17   1.475   2.885   1.902
  138    H    ARG  18           H        ARG  18   5.497   1.199   1.504
  139    HA   ARG  18           HA       ARG  18   5.828   2.993   3.813
  140   1HB   ARG  18          2HB       ARG  18   7.802   1.669   2.018
  141   2HB   ARG  18          1HB       ARG  18   8.191   3.271   2.631
  142   1HG   ARG  18          2HG       ARG  18   8.556   2.528   4.718
  143   2HG   ARG  18          1HG       ARG  18   7.230   1.365   4.648
  144   1HD   ARG  18          2HD       ARG  18   8.563  -0.199   3.442
  145   2HD   ARG  18          1HD       ARG  18   9.841   0.992   3.198
  146    HE   ARG  18           HE       ARG  18   9.700   0.820   5.883
  147   1HH1  ARG  18          1HH1      ARG  18   9.949  -1.587   3.378
  148   2HH1  ARG  18          2HH1      ARG  18  10.842  -2.701   4.357
  149   1HH2  ARG  18          1HH2      ARG  18  10.875  -0.641   7.182
  150   2HH2  ARG  18          2HH2      ARG  18  11.368  -2.164   6.519
  151    H    TRP  19           H        TRP  19   5.517   5.111   3.476
  152    HA   TRP  19           HA       TRP  19   5.962   6.234   0.852
  153   1HB   TRP  19          2HB       TRP  19   3.763   7.058   0.472
  154   2HB   TRP  19          1HB       TRP  19   3.614   5.339   0.816
  155    HD1  TRP  19           HD       TRP  19   2.425   8.698   1.967
  156    HE1  TRP  19           1HE      TRP  19   0.852   8.418   3.985
  157    HE3  TRP  19           3HE      TRP  19   3.302   3.770   3.006
  158    HZ2  TRP  19           2HZ      TRP  19   0.084   6.380   5.779
  159    HZ3  TRP  19           3HZ      TRP  19   2.108   2.731   4.889
  160    HH2  TRP  19           HH       TRP  19   0.533   4.011   6.247
  161    H    ARG  20           H        ARG  20   5.752   8.522   0.768
  162    HA   ARG  20           HA       ARG  20   5.535  10.087   3.158
  163   1HB   ARG  20          2HB       ARG  20   7.818  10.998   3.066
  164   2HB   ARG  20          1HB       ARG  20   7.834   9.273   3.402
  165   1HG   ARG  20          2HG       ARG  20   9.348   9.124   1.781
  166   2HG   ARG  20          1HG       ARG  20   8.008   9.367   0.660
  167   1HD   ARG  20          2HD       ARG  20   8.564  11.536   0.247
  168   2HD   ARG  20          1HD       ARG  20   9.243  11.782   1.855
  169    HE   ARG  20           HE       ARG  20  11.070  10.182   0.857
  170   1HH1  ARG  20          1HH1      ARG  20   9.426  12.829  -0.706
  171   2HH1  ARG  20          2HH1      ARG  20  10.752  13.200  -1.755
  172   1HH2  ARG  20          1HH2      ARG  20  12.821  10.667  -0.524
  173   2HH2  ARG  20          2HH2      ARG  20  12.679  11.973  -1.654
  174    HA   PRO  21           HA       PRO  21   4.283  13.184   0.281
  175   1HB   PRO  21          2HB       PRO  21   6.183  15.087   1.563
  176   2HB   PRO  21          1HB       PRO  21   4.443  15.245   1.288
  177   1HG   PRO  21          2HG       PRO  21   5.328  14.725   3.723
  178   2HG   PRO  21          1HG       PRO  21   3.905  13.869   3.092
  179   1HD   PRO  21          2HD       PRO  21   6.736  12.905   3.318
  180   2HD   PRO  21          1HD       PRO  21   5.225  12.058   3.716
  181    H    LYS  22           H        LYS  22   4.900  13.043  -1.764
  182    HA   LYS  22           HA       LYS  22   7.522  12.712  -2.681
  183   1HB   LYS  22          2HB       LYS  22   5.403  12.128  -3.909
  184   2HB   LYS  22          1HB       LYS  22   5.215  13.838  -4.271
  185   1HG   LYS  22          2HG       LYS  22   7.500  13.726  -5.349
  186   2HG   LYS  22          1HG       LYS  22   7.371  11.971  -5.209
  187   1HD   LYS  22          2HD       LYS  22   4.943  12.864  -6.315
  188   2HD   LYS  22          1HD       LYS  22   6.226  13.724  -7.170
  189   1HE   LYS  22          2HE       LYS  22   6.401  10.768  -6.715
  190   2HE   LYS  22          1HE       LYS  22   5.447  11.416  -8.048
  191   1HZ   LYS  22          1HZ       LYS  22   8.270  11.134  -7.826
  192   2HZ   LYS  22          2HZ       LYS  22   7.850  12.733  -8.182
  193   3HZ   LYS  22          3HZ       LYS  22   7.330  11.479  -9.191
  194    H    ASN  23           H        ASN  23   5.531  15.601  -2.330
  195    HA   ASN  23           HA       ASN  23   7.359  17.355  -3.631
  196   1HB   ASN  23          2HB       ASN  23   4.997  17.791  -1.815
  197   2HB   ASN  23          1HB       ASN  23   5.978  19.135  -2.391
  198   1HD2  ASN  23          1HD2      ASN  23   4.289  20.023  -3.552
  199   2HD2  ASN  23          2HD2      ASN  23   3.699  19.319  -5.015
  200    H    SER  24           H        SER  24   7.054  16.117  -0.404
  201    HA   SER  24           HA       SER  24   9.005  18.042   0.623
  202   1HB   SER  24          2HB       SER  24   6.771  16.970   1.786
  203   2HB   SER  24          1HB       SER  24   8.040  15.937   2.442
  204    HG   SER  24           HG       SER  24   7.469  18.032   3.552
  205    H    VAL  25           H        VAL  25  10.209  16.473   2.585
  206    HA   VAL  25           HA       VAL  25  11.447  14.213   1.229
  207    HB   VAL  25           HB       VAL  25  13.743  15.180   1.972
  208   1HG1  VAL  25          1HG1      VAL  25  12.163  15.546  -0.458
  209   2HG1  VAL  25          2HG1      VAL  25  13.810  14.953  -0.254
  210   3HG1  VAL  25          3HG1      VAL  25  13.497  16.687  -0.294
  211   1HG2  VAL  25          1HG2      VAL  25  12.123  17.709   1.684
  212   2HG2  VAL  25          2HG2      VAL  25  13.882  17.628   1.783
  213   3HG2  VAL  25          3HG2      VAL  25  12.898  17.123   3.155
  214    H    GLY  26           H        GLY  26  11.336  12.625   2.664
  215   1HA   GLY  26          2HA       GLY  26  12.233  11.609   4.645
  216   2HA   GLY  26          1HA       GLY  26  12.176  13.179   5.429
  217    H    ARG  27           H        ARG  27  11.196  11.404   6.974
  218    HA   ARG  27           HA       ARG  27   9.396  10.730   8.178
  219   1HB   ARG  27          2HB       ARG  27   8.117  12.980   6.630
  220   2HB   ARG  27          1HB       ARG  27   7.283  12.091   7.899
  221   1HG   ARG  27          2HG       ARG  27   9.496  12.764   9.235
  222   2HG   ARG  27          1HG       ARG  27   9.435  14.102   8.087
  223   1HD   ARG  27          2HD       ARG  27   7.136  14.584   8.776
  224   2HD   ARG  27          1HD       ARG  27   7.200  13.247   9.924
  225    HE   ARG  27           HE       ARG  27   8.751  14.495  11.228
  226   1HH1  ARG  27          1HH1      ARG  27   7.399  16.255   8.541
  227   2HH1  ARG  27          2HH1      ARG  27   7.813  17.809   9.184
  228   1HH2  ARG  27          1HH2      ARG  27   9.297  16.538  12.084
  229   2HH2  ARG  27          2HH2      ARG  27   8.893  17.970  11.198
  230    H    TRP  28           H        TRP  28   9.310   8.671   7.277
  231    HA   TRP  28           HA       TRP  28   7.432   8.259   5.062
  232   1HB   TRP  28          2HB       TRP  28   9.410   6.342   6.316
  233   2HB   TRP  28          1HB       TRP  28   8.383   5.988   4.931
  234    HD1  TRP  28           HD       TRP  28  11.194   8.502   5.865
  235    HE1  TRP  28           1HE      TRP  28  12.569   8.972   3.741
  236    HE3  TRP  28           3HE      TRP  28   8.486   5.742   2.520
  237    HZ2  TRP  28           2HZ      TRP  28  12.511   8.267   1.008
  238    HZ3  TRP  28           3HZ      TRP  28   9.212   5.693   0.169
  239    HH2  TRP  28           HH       TRP  28  11.184   6.930  -0.569
  240    H    LYS  29           H        LYS  29   6.431   5.836   5.394
  241    HA   LYS  29           HA       LYS  29   5.454   5.476   8.104
  242   1HB   LYS  29          2HB       LYS  29   3.976   7.168   6.711
  243   2HB   LYS  29          1HB       LYS  29   3.349   5.691   5.991
  244   1HG   LYS  29          2HG       LYS  29   2.099   5.247   7.774
  245   2HG   LYS  29          1HG       LYS  29   3.445   5.527   8.880
  246   1HD   LYS  29          2HD       LYS  29   3.038   8.007   8.513
  247   2HD   LYS  29          1HD       LYS  29   1.522   7.540   7.739
  248   1HE   LYS  29          2HE       LYS  29   0.537   7.047   9.696
  249   2HE   LYS  29          1HE       LYS  29   1.986   6.273  10.338
  250   1HZ   LYS  29          1HZ       LYS  29   0.987   8.867  10.848
  251   2HZ   LYS  29          2HZ       LYS  29   2.541   8.980  10.190
  252   3HZ   LYS  29          3HZ       LYS  29   2.279   8.061  11.585
  253    H    GLU  30           H        GLU  30   4.605   3.391   8.457
  254    HA   GLU  30           HA       GLU  30   4.950   1.558   6.176
  255   1HB   GLU  30          2HB       GLU  30   5.253   0.436   8.887
  256   2HB   GLU  30          1HB       GLU  30   6.162   0.103   7.421
  257   1HG   GLU  30          2HG       GLU  30   7.795   1.478   8.018
  258   2HG   GLU  30          1HG       GLU  30   6.665   2.776   8.399
  259    H    ALA  31           H        ALA  31   3.444   0.039   5.794
  260    HA   ALA  31           HA       ALA  31   1.252  -0.319   7.705
  261   1HB   ALA  31          1HB       ALA  31   0.615  -0.043   4.793
  262   2HB   ALA  31          2HB       ALA  31   0.752   1.390   5.813
  263   3HB   ALA  31          3HB       ALA  31  -0.441   0.148   6.192
  264    H    THR  32           H        THR  32   1.318  -2.419   8.165
  265    HA   THR  32           HA       THR  32   2.279  -4.324   6.199
  266    HB   THR  32           HB       THR  32   1.296  -5.133   8.907
  267    HG1  THR  32           1HG      THR  32   2.921  -4.159   9.870
  268   1HG2  THR  32          1HG2      THR  32   2.998  -6.831   8.703
  269   2HG2  THR  32          2HG2      THR  32   3.632  -6.076   7.241
  270   3HG2  THR  32          3HG2      THR  32   2.033  -6.819   7.226
  271    H    ILE  33           H        ILE  33   1.121  -5.872   5.213
  272    HA   ILE  33           HA       ILE  33  -1.697  -6.226   5.918
  273    HB   ILE  33           HB       ILE  33  -1.355  -6.356   3.048
  274   1HG1  ILE  33          2HG1      ILE  33  -0.963  -3.622   4.280
  275   2HG1  ILE  33          1HG1      ILE  33   0.341  -4.571   3.576
  276   1HG2  ILE  33          1HG2      ILE  33  -3.467  -5.559   3.060
  277   2HG2  ILE  33          2HG2      ILE  33  -3.117  -4.342   4.287
  278   3HG2  ILE  33          3HG2      ILE  33  -3.392  -6.018   4.761
  279   1HD1  ILE  33          1HD1      ILE  33  -2.092  -3.559   2.124
  280   2HD1  ILE  33          2HD1      ILE  33  -0.792  -4.516   1.414
  281   3HD1  ILE  33          3HD1      ILE  33  -0.462  -2.894   2.023
  282    HA   PRO  34           HA       PRO  34   0.029 -10.381   5.525
  283   1HB   PRO  34          2HB       PRO  34  -2.059 -11.666   6.677
  284   2HB   PRO  34          1HB       PRO  34  -0.832 -10.806   7.613
  285   1HG   PRO  34          2HG       PRO  34  -3.567  -9.899   6.796
  286   2HG   PRO  34          1HG       PRO  34  -2.758  -9.735   8.366
  287   1HD   PRO  34          2HD       PRO  34  -2.891  -7.705   6.583
  288   2HD   PRO  34          1HD       PRO  34  -1.509  -7.923   7.676
  289    H    GLY  35           H        GLY  35  -0.162 -10.308   3.200
  290   1HA   GLY  35          2HA       GLY  35  -0.989 -10.999   1.172
  291   2HA   GLY  35          1HA       GLY  35  -1.737 -12.295   2.095
  292    H    HIS  36           H        HIS  36  -2.414  -8.838   2.320
  293    HA   HIS  36           HA       HIS  36  -4.319  -7.637   2.052
  294   1HB   HIS  36          2HB       HIS  36  -4.133  -9.364  -0.274
  295   2HB   HIS  36          1HB       HIS  36  -5.807  -8.977   0.110
  296    HD2  HIS  36           2HD      HIS  36  -6.597  -6.769  -1.150
  297    HE1  HIS  36           1HE      HIS  36  -2.842  -4.822  -1.303
  298    HE2  HIS  36           2HE      HIS  36  -5.322  -4.598  -1.780
  299    H    LEU  37           H        LEU  37  -5.081  -8.194   4.119
  300    HA   LEU  37           HA       LEU  37  -6.709 -10.474   4.607
  301   1HB   LEU  37          2HB       LEU  37  -7.455  -8.671   6.541
  302   2HB   LEU  37          1HB       LEU  37  -6.148  -9.827   6.671
  303    HG   LEU  37           HG       LEU  37  -4.537  -8.114   5.983
  304   1HD1  LEU  37          1HD1      LEU  37  -6.675  -6.828   4.851
  305   2HD1  LEU  37          2HD1      LEU  37  -5.074  -6.134   5.100
  306   3HD1  LEU  37          3HD1      LEU  37  -6.351  -5.852   6.283
  307   1HD2  LEU  37          1HD2      LEU  37  -4.376  -7.738   8.157
  308   2HD2  LEU  37          2HD2      LEU  37  -6.086  -8.107   8.384
  309   3HD2  LEU  37          3HD2      LEU  37  -5.582  -6.461   7.996
  310    H    ASN  38           H        ASN  38  -7.313  -7.201   3.582
  311    HA   ASN  38           HA       ASN  38  -9.738  -7.706   2.337
  312   1HB   ASN  38          2HB       ASN  38 -11.421  -6.927   3.805
  313   2HB   ASN  38          1HB       ASN  38 -10.444  -8.010   4.789
  314   1HD2  ASN  38          1HD2      ASN  38  -8.279  -6.325   5.292
  315   2HD2  ASN  38          2HD2      ASN  38  -8.809  -5.034   6.309
  316    H    SER  39           H        SER  39 -10.989  -5.126   2.970
  317    HA   SER  39           HA       SER  39  -9.303  -3.483   1.317
  318   1HB   SER  39          2HB       SER  39 -11.733  -3.383   1.043
  319   2HB   SER  39          1HB       SER  39 -11.918  -2.855   2.716
  320    HG   SER  39           HG       SER  39 -11.736  -0.926   1.915
  321    H    TYR  40           H        TYR  40  -7.519  -2.686   2.243
  322    HA   TYR  40           HA       TYR  40  -7.646  -1.679   4.985
  323   1HB   TYR  40          2HB       TYR  40  -5.809  -3.256   4.128
  324   2HB   TYR  40          1HB       TYR  40  -5.170  -1.856   3.279
  325    HD1  TYR  40           1HD      TYR  40  -5.660  -3.434   6.533
  326    HD2  TYR  40           2HD      TYR  40  -4.195   0.013   4.517
  327    HE1  TYR  40           1HE      TYR  40  -4.462  -2.760   8.570
  328    HE2  TYR  40           2HE      TYR  40  -2.992   0.697   6.551
  329    HH   TYR  40           HH       TYR  40  -2.273  -0.007   8.589
  330    H    THR  41           H        THR  41  -7.728   0.420   5.444
  331    HA   THR  41           HA       THR  41  -7.490   2.327   3.235
  332    HB   THR  41           HB       THR  41  -9.575   2.434   4.494
  333    HG1  THR  41           1HG      THR  41  -8.201   4.731   5.350
  334   1HG2  THR  41          1HG2      THR  41  -9.495   3.266   6.866
  335   2HG2  THR  41          2HG2      THR  41  -7.766   2.919   6.858
  336   3HG2  THR  41          3HG2      THR  41  -8.930   1.611   6.643
  337    H    ILE  42           H        ILE  42  -6.236   4.174   3.353
  338    HA   ILE  42           HA       ILE  42  -4.072   4.083   5.346
  339    HB   ILE  42           HB       ILE  42  -4.135   5.163   2.531
  340   1HG1  ILE  42          2HG1      ILE  42  -3.680   2.755   2.806
  341   2HG1  ILE  42          1HG1      ILE  42  -2.282   3.617   2.173
  342   1HG2  ILE  42          1HG2      ILE  42  -2.697   6.749   3.120
  343   2HG2  ILE  42          2HG2      ILE  42  -1.543   5.473   3.502
  344   3HG2  ILE  42          3HG2      ILE  42  -2.588   6.122   4.765
  345   1HD1  ILE  42          1HD1      ILE  42  -2.527   2.016   4.543
  346   2HD1  ILE  42          2HD1      ILE  42  -1.965   3.640   4.942
  347   3HD1  ILE  42          3HD1      ILE  42  -1.081   2.665   3.767
  348    H    LYS  43           H        LYS  43  -3.652   5.843   6.598
  349    HA   LYS  43           HA       LYS  43  -5.551   7.617   7.355
  350   1HB   LYS  43          2HB       LYS  43  -2.797   7.283   7.842
  351   2HB   LYS  43          1HB       LYS  43  -3.017   8.980   7.444
  352   1HG   LYS  43          2HG       LYS  43  -3.173   8.616   9.839
  353   2HG   LYS  43          1HG       LYS  43  -4.711   9.181   9.186
  354   1HD   LYS  43          2HD       LYS  43  -4.971   7.354  10.835
  355   2HD   LYS  43          1HD       LYS  43  -5.611   6.943   9.244
  356   1HE   LYS  43          2HE       LYS  43  -4.312   5.112  10.328
  357   2HE   LYS  43          1HE       LYS  43  -3.696   5.595   8.749
  358   1HZ   LYS  43          1HZ       LYS  43  -1.771   6.251   9.627
  359   2HZ   LYS  43          2HZ       LYS  43  -2.220   5.373  11.002
  360   3HZ   LYS  43          3HZ       LYS  43  -2.507   7.038  10.932
  361    H    GLY  44           H        GLY  44  -6.340   9.571   6.757
  362   1HA   GLY  44          2HA       GLY  44  -6.393  10.325   4.104
  363   2HA   GLY  44          1HA       GLY  44  -6.792  11.393   5.439
  364    H    LEU  45           H        LEU  45  -5.133  11.410   2.763
  365    HA   LEU  45           HA       LEU  45  -2.593  12.431   3.709
  366   1HB   LEU  45          2HB       LEU  45  -3.763  12.227   0.932
  367   2HB   LEU  45          1HB       LEU  45  -2.143  12.791   1.284
  368    HG   LEU  45           HG       LEU  45  -1.877  10.565   0.590
  369   1HD1  LEU  45          1HD1      LEU  45  -1.979  10.010   3.507
  370   2HD1  LEU  45          2HD1      LEU  45  -0.914  11.292   2.930
  371   3HD1  LEU  45          3HD1      LEU  45  -0.721   9.646   2.326
  372   1HD2  LEU  45          1HD2      LEU  45  -4.003   9.644   0.549
  373   2HD2  LEU  45          2HD2      LEU  45  -4.308  10.018   2.245
  374   3HD2  LEU  45          3HD2      LEU  45  -3.196   8.720   1.815
  375    H    LYS  46           H        LYS  46  -2.831  14.335   1.231
  376    HA   LYS  46           HA       LYS  46  -4.455  16.424   2.490
  377   1HB   LYS  46          2HB       LYS  46  -2.369  17.083   3.295
  378   2HB   LYS  46          1HB       LYS  46  -1.533  16.558   1.842
  379   1HG   LYS  46          2HG       LYS  46  -2.451  18.435   0.605
  380   2HG   LYS  46          1HG       LYS  46  -3.359  18.946   2.032
  381   1HD   LYS  46          2HD       LYS  46  -1.561  19.911   2.972
  382   2HD   LYS  46          1HD       LYS  46  -0.494  18.583   2.512
  383   1HE   LYS  46          2HE       LYS  46  -0.625  19.526   0.144
  384   2HE   LYS  46          1HE       LYS  46  -1.326  20.965   0.881
  385   1HZ   LYS  46          1HZ       LYS  46   0.921  21.441   0.788
  386   2HZ   LYS  46          2HZ       LYS  46   1.393  19.870   1.197
  387   3HZ   LYS  46          3HZ       LYS  46   0.737  20.889   2.377
  388    HA   PRO  47           HA       PRO  47  -5.889  16.529  -1.762
  389   1HB   PRO  47          2HB       PRO  47  -7.264  18.972  -0.798
  390   2HB   PRO  47          1HB       PRO  47  -7.934  17.536  -1.578
  391   1HG   PRO  47          2HG       PRO  47  -8.299  17.978   1.028
  392   2HG   PRO  47          1HG       PRO  47  -8.026  16.340   0.404
  393   1HD   PRO  47          2HD       PRO  47  -6.119  18.183   1.794
  394   2HD   PRO  47          1HD       PRO  47  -6.324  16.428   1.975
  395    H    GLY  48           H        GLY  48  -4.381  17.201  -3.171
  396   1HA   GLY  48          2HA       GLY  48  -3.900  19.212  -4.564
  397   2HA   GLY  48          1HA       GLY  48  -3.558  20.038  -3.051
  398    H    VAL  49           H        VAL  49  -2.267  17.522  -2.018
  399    HA   VAL  49           HA       VAL  49   0.260  17.764  -3.517
  400    HB   VAL  49           HB       VAL  49   0.233  18.762  -1.181
  401   1HG1  VAL  49          1HG1      VAL  49  -0.244  17.551   0.627
  402   2HG1  VAL  49          2HG1      VAL  49   0.726  16.186   0.077
  403   3HG1  VAL  49          3HG1      VAL  49  -0.935  16.371  -0.487
  404   1HG2  VAL  49          1HG2      VAL  49   2.449  18.457  -1.124
  405   2HG2  VAL  49          2HG2      VAL  49   2.207  17.510  -2.593
  406   3HG2  VAL  49          3HG2      VAL  49   2.301  16.701  -1.028
  407    H    VAL  50           H        VAL  50   1.314  15.936  -4.098
  408    HA   VAL  50           HA       VAL  50  -0.122  13.425  -3.666
  409    HB   VAL  50           HB       VAL  50   2.141  14.010  -5.578
  410   1HG1  VAL  50          1HG1      VAL  50   0.879  11.893  -6.623
  411   2HG1  VAL  50          2HG1      VAL  50   0.577  11.592  -4.912
  412   3HG1  VAL  50          3HG1      VAL  50   2.232  11.748  -5.502
  413   1HG2  VAL  50          1HG2      VAL  50   0.628  15.079  -6.808
  414   2HG2  VAL  50          2HG2      VAL  50  -0.666  14.649  -5.689
  415   3HG2  VAL  50          3HG2      VAL  50  -0.222  13.544  -6.989
  416    H    TYR  51           H        TYR  51   0.747  11.652  -2.712
  417    HA   TYR  51           HA       TYR  51   3.305  12.043  -1.317
  418   1HB   TYR  51          2HB       TYR  51   0.912  10.306  -0.718
  419   2HB   TYR  51          1HB       TYR  51   2.458  10.086   0.094
  420    HD1  TYR  51           1HD      TYR  51  -0.036  12.772  -0.641
  421    HD2  TYR  51           2HD      TYR  51   2.819  11.192   2.090
  422    HE1  TYR  51           1HE      TYR  51  -0.665  14.489   1.001
  423    HE2  TYR  51           2HE      TYR  51   2.197  12.906   3.740
  424    HH   TYR  51           HH       TYR  51  -0.324  15.309   3.033
  425    H    GLU  52           H        GLU  52   5.017  10.819  -1.827
  426    HA   GLU  52           HA       GLU  52   4.727   8.825  -3.918
  427   1HB   GLU  52          2HB       GLU  52   7.131   8.799  -4.022
  428   2HB   GLU  52          1HB       GLU  52   6.602  10.471  -3.929
  429   1HG   GLU  52          2HG       GLU  52   7.394  10.743  -1.778
  430   2HG   GLU  52          1HG       GLU  52   7.370   9.013  -1.440
  431    H    GLY  53           H        GLY  53   4.955   6.618  -3.674
  432   1HA   GLY  53          2HA       GLY  53   5.773   5.602  -1.053
  433   2HA   GLY  53          1HA       GLY  53   4.147   5.229  -1.586
  434    H    GLN  54           H        GLN  54   6.150   3.355  -0.954
  435    HA   GLN  54           HA       GLN  54   6.354   1.937  -3.509
  436   1HB   GLN  54          2HB       GLN  54   8.542   1.083  -1.976
  437   2HB   GLN  54          1HB       GLN  54   8.592   2.052  -3.444
  438   1HG   GLN  54          2HG       GLN  54   8.433   4.086  -2.084
  439   2HG   GLN  54          1HG       GLN  54   8.448   3.095  -0.626
  440   1HE2  GLN  54          1HE2      GLN  54  10.306   5.167  -1.549
  441   2HE2  GLN  54          2HE2      GLN  54  11.862   4.418  -1.597
  442    H    LEU  55           H        LEU  55   5.985  -0.292  -3.354
  443    HA   LEU  55           HA       LEU  55   5.026  -1.174  -0.714
  444   1HB   LEU  55          2HB       LEU  55   3.925  -1.363  -3.336
  445   2HB   LEU  55          1HB       LEU  55   4.260  -2.987  -2.769
  446    HG   LEU  55           HG       LEU  55   2.503  -0.937  -1.418
  447   1HD1  LEU  55          1HD1      LEU  55   0.689  -2.210  -2.073
  448   2HD1  LEU  55          2HD1      LEU  55   1.669  -3.648  -2.359
  449   3HD1  LEU  55          3HD1      LEU  55   1.738  -2.296  -3.488
  450   1HD2  LEU  55          1HD2      LEU  55   3.785  -3.384  -0.413
  451   2HD2  LEU  55          2HD2      LEU  55   2.052  -3.262  -0.108
  452   3HD2  LEU  55          3HD2      LEU  55   3.139  -1.995   0.462
  453    H    ILE  56           H        ILE  56   6.616  -2.234   0.313
  454    HA   ILE  56           HA       ILE  56   8.396  -3.993  -1.190
  455    HB   ILE  56           HB       ILE  56   8.436  -3.122   1.703
  456   1HG1  ILE  56          2HG1      ILE  56  10.770  -2.294   0.708
  457   2HG1  ILE  56          1HG1      ILE  56   9.846  -2.300  -0.790
  458   1HG2  ILE  56          1HG2      ILE  56   9.738  -5.365   0.381
  459   2HG2  ILE  56          2HG2      ILE  56   9.579  -5.001   2.099
  460   3HG2  ILE  56          3HG2      ILE  56  10.882  -4.270   1.160
  461   1HD1  ILE  56          1HD1      ILE  56   8.127  -0.972   0.743
  462   2HD1  ILE  56          2HD1      ILE  56   9.430  -0.180  -0.143
  463   3HD1  ILE  56          3HD1      ILE  56   9.625  -0.546   1.572
  464    H    SER  57           H        SER  57   8.410  -6.185  -1.008
  465    HA   SER  57           HA       SER  57   6.315  -7.362   0.687
  466   1HB   SER  57          2HB       SER  57   5.413  -8.293  -1.117
  467   2HB   SER  57          1HB       SER  57   6.601  -7.452  -2.118
  468    HG   SER  57           HG       SER  57   6.809  -9.636  -2.503
  469    H    ILE  58           H        ILE  58   7.042  -8.588   2.201
  470    HA   ILE  58           HA       ILE  58   9.608  -9.985   1.844
  471    HB   ILE  58           HB       ILE  58   8.441  -9.442   4.547
  472   1HG1  ILE  58          2HG1      ILE  58   9.835  -7.503   2.721
  473   2HG1  ILE  58          1HG1      ILE  58   8.434  -7.245   3.750
  474   1HG2  ILE  58          1HG2      ILE  58  10.423 -10.155   5.308
  475   2HG2  ILE  58          2HG2      ILE  58  11.324  -9.270   4.076
  476   3HG2  ILE  58          3HG2      ILE  58  10.618 -10.841   3.694
  477   1HD1  ILE  58          1HD1      ILE  58  11.325  -7.300   4.502
  478   2HD1  ILE  58          2HD1      ILE  58  10.066  -7.571   5.706
  479   3HD1  ILE  58          3HD1      ILE  58  10.113  -6.056   4.806
  480    H    GLN  59           H        GLN  59   9.592 -12.136   1.882
  481    HA   GLN  59           HA       GLN  59   7.195 -13.482   2.937
  482   1HB   GLN  59          2HB       GLN  59   7.603 -15.258   1.267
  483   2HB   GLN  59          1HB       GLN  59   7.278 -13.697   0.527
  484   1HG   GLN  59          2HG       GLN  59   9.583 -13.383   0.005
  485   2HG   GLN  59          1HG       GLN  59  10.041 -14.804   0.944
  486   1HE2  GLN  59          1HE2      GLN  59   8.839 -16.846   0.215
  487   2HE2  GLN  59          2HE2      GLN  59   8.785 -17.113  -1.491
  488    H    GLN  60           H        GLN  60   7.864 -16.011   3.110
  489    HA   GLN  60           HA       GLN  60   9.663 -16.091   5.317
  490   1HB   GLN  60          2HB       GLN  60   9.236 -18.576   5.199
  491   2HB   GLN  60          1HB       GLN  60   7.806 -17.569   5.385
  492   1HG   GLN  60          2HG       GLN  60   7.314 -17.791   3.021
  493   2HG   GLN  60          1HG       GLN  60   8.777 -18.747   2.791
  494   1HE2  GLN  60          1HE2      GLN  60   8.873 -20.844   3.669
  495   2HE2  GLN  60          2HE2      GLN  60   7.435 -21.717   4.066
  496    H    TYR  61           H        TYR  61  10.268 -16.018   2.062
  497    HA   TYR  61           HA       TYR  61  12.627 -17.753   2.247
  498   1HB   TYR  61          2HB       TYR  61  10.921 -16.797   0.017
  499   2HB   TYR  61          1HB       TYR  61  12.636 -16.993  -0.332
  500    HD1  TYR  61           1HD      TYR  61  13.702 -19.232  -0.019
  501    HD2  TYR  61           2HD      TYR  61   9.492 -18.679   0.238
  502    HE1  TYR  61           1HE      TYR  61  13.374 -21.651  -0.313
  503    HE2  TYR  61           2HE      TYR  61   9.151 -21.098  -0.056
  504    HH   TYR  61           HH       TYR  61  10.920 -23.070  -1.294
  505    H    GLY  62           H        GLY  62  11.816 -14.579   2.700
  506   1HA   GLY  62          2HA       GLY  62  13.259 -12.833   3.232
  507   2HA   GLY  62          1HA       GLY  62  14.594 -13.776   2.592
  508    H    HIS  63           H        HIS  63  11.898 -13.509   0.498
  509    HA   HIS  63           HA       HIS  63  13.409 -12.130  -1.466
  510   1HB   HIS  63          2HB       HIS  63  10.984 -13.561  -1.394
  511   2HB   HIS  63          1HB       HIS  63  10.578 -11.944  -1.966
  512    HD2  HIS  63           2HD      HIS  63  12.000 -11.152  -4.330
  513    HE1  HIS  63           1HE      HIS  63  12.853 -15.159  -5.389
  514    HE2  HIS  63           2HE      HIS  63  12.993 -12.738  -6.126
  515    H    GLN  64           H        GLN  64  12.303 -10.156  -2.609
  516    HA   GLN  64           HA       GLN  64  11.132  -8.266  -0.751
  517   1HB   GLN  64          2HB       GLN  64  13.939  -8.063  -1.742
  518   2HB   GLN  64          1HB       GLN  64  13.004  -6.587  -1.553
  519   1HG   GLN  64          2HG       GLN  64  12.813  -8.342   0.754
  520   2HG   GLN  64          1HG       GLN  64  14.469  -7.846   0.400
  521   1HE2  GLN  64          1HE2      GLN  64  13.649  -6.979   2.693
  522   2HE2  GLN  64          2HE2      GLN  64  13.187  -5.315   2.662
  523    H    GLU  65           H        GLU  65   9.376  -8.078  -2.070
  524    HA   GLU  65           HA       GLU  65   9.782  -7.253  -4.850
  525   1HB   GLU  65          2HB       GLU  65   8.009  -9.016  -3.769
  526   2HB   GLU  65          1HB       GLU  65   7.037  -7.554  -3.813
  527   1HG   GLU  65          2HG       GLU  65   6.544  -8.180  -5.895
  528   2HG   GLU  65          1HG       GLU  65   8.137  -7.546  -6.301
  529    H    VAL  66           H        VAL  66   9.842  -5.157  -5.288
  530    HA   VAL  66           HA       VAL  66   8.240  -3.353  -3.605
  531    HB   VAL  66           HB       VAL  66  10.386  -2.932  -2.860
  532   1HG1  VAL  66          1HG1      VAL  66  12.366  -2.899  -4.177
  533   2HG1  VAL  66          2HG1      VAL  66  11.436  -2.938  -5.676
  534   3HG1  VAL  66          3HG1      VAL  66  11.450  -4.344  -4.610
  535   1HG2  VAL  66          1HG2      VAL  66  10.558  -0.927  -5.036
  536   2HG2  VAL  66          2HG2      VAL  66  10.651  -0.712  -3.288
  537   3HG2  VAL  66          3HG2      VAL  66   9.085  -0.935  -4.068
  538    H    THR  67           H        THR  67   7.028  -1.886  -4.582
  539    HA   THR  67           HA       THR  67   7.488  -1.242  -7.403
  540    HB   THR  67           HB       THR  67   4.804  -2.050  -6.260
  541    HG1  THR  67           1HG      THR  67   6.771  -3.402  -7.606
  542   1HG2  THR  67          1HG2      THR  67   5.220  -0.190  -8.211
  543   2HG2  THR  67          2HG2      THR  67   3.780  -1.201  -8.078
  544   3HG2  THR  67          3HG2      THR  67   5.092  -1.672  -9.158
  545    H    ARG  68           H        ARG  68   7.580   0.898  -7.622
  546    HA   ARG  68           HA       ARG  68   6.680   2.626  -5.489
  547   1HB   ARG  68          2HB       ARG  68   7.760   3.618  -8.101
  548   2HB   ARG  68          1HB       ARG  68   7.969   4.281  -6.485
  549   1HG   ARG  68          2HG       ARG  68   9.948   3.295  -6.413
  550   2HG   ARG  68          1HG       ARG  68   9.119   1.741  -6.388
  551   1HD   ARG  68          2HD       ARG  68   9.037   2.252  -9.019
  552   2HD   ARG  68          1HD       ARG  68  10.512   3.121  -8.599
  553    HE   ARG  68           HE       ARG  68  10.094   0.252  -8.541
  554   1HH1  ARG  68          1HH1      ARG  68  12.109   2.939  -7.609
  555   2HH1  ARG  68          2HH1      ARG  68  13.520   1.964  -7.370
  556   1HH2  ARG  68          1HH2      ARG  68  11.946  -1.040  -8.225
  557   2HH2  ARG  68          2HH2      ARG  68  13.427  -0.298  -7.720
  558    H    PHE  69           H        PHE  69   5.020   4.046  -5.526
  559    HA   PHE  69           HA       PHE  69   3.482   4.488  -7.949
  560   1HB   PHE  69          2HB       PHE  69   1.358   4.016  -6.498
  561   2HB   PHE  69          1HB       PHE  69   2.201   2.677  -7.268
  562    HD1  PHE  69           1HD      PHE  69   2.199   0.804  -5.964
  563    HD2  PHE  69           2HD      PHE  69   2.677   4.592  -4.082
  564    HE1  PHE  69           1HE      PHE  69   2.424  -0.310  -3.785
  565    HE2  PHE  69           2HE      PHE  69   2.910   3.482  -1.893
  566    HZ   PHE  69           HZ       PHE  69   2.781   1.026  -1.747
  567    H    ASP  70           H        ASP  70   1.939   6.242  -7.736
  568    HA   ASP  70           HA       ASP  70   2.560   8.048  -5.489
  569   1HB   ASP  70          2HB       ASP  70   1.841   8.892  -8.303
  570   2HB   ASP  70          1HB       ASP  70   2.354   9.935  -6.982
  571    H    PHE  71           H        PHE  71   0.854   8.463  -4.234
  572    HA   PHE  71           HA       PHE  71  -1.791   8.713  -5.439
  573   1HB   PHE  71          2HB       PHE  71  -2.838   7.080  -4.099
  574   2HB   PHE  71          1HB       PHE  71  -1.370   6.301  -4.686
  575    HD1  PHE  71           1HD      PHE  71   0.538   5.953  -3.177
  576    HD2  PHE  71           2HD      PHE  71  -3.152   7.549  -1.780
  577    HE1  PHE  71           1HE      PHE  71   1.216   5.476  -0.861
  578    HE2  PHE  71           2HE      PHE  71  -2.486   7.078   0.539
  579    HZ   PHE  71           HZ       PHE  71  -0.299   6.036   1.003
  580    H    THR  72           H        THR  72  -3.393   9.601  -4.000
  581    HA   THR  72           HA       THR  72  -2.460  10.837  -1.540
  582    HB   THR  72           HB       THR  72  -2.399  12.969  -2.208
  583    HG1  THR  72           1HG      THR  72  -4.404  13.626  -2.356
  584   1HG2  THR  72          1HG2      THR  72  -2.420  13.390  -4.738
  585   2HG2  THR  72          2HG2      THR  72  -2.619  11.644  -4.897
  586   3HG2  THR  72          3HG2      THR  72  -1.187  12.301  -4.103
  587    H    THR  73           H        THR  73  -4.333  11.937  -0.401
  588    HA   THR  73           HA       THR  73  -6.427  10.165  -0.026
  589    HB   THR  73           HB       THR  73  -6.121  11.675   1.722
  590    HG1  THR  73           1HG      THR  73  -8.144  12.965   1.685
  591   1HG2  THR  73          1HG2      THR  73  -4.925  13.469   0.922
  592   2HG2  THR  73          2HG2      THR  73  -6.497  14.221   1.193
  593   3HG2  THR  73          3HG2      THR  73  -6.021  13.734  -0.434
  594    H    THR  74           H        THR  74  -6.462  13.204  -1.893
  595    HA   THR  74           HA       THR  74  -8.816  12.166  -3.332
  596    HB   THR  74           HB       THR  74 -10.016  14.030  -3.008
  597    HG1  THR  74           1HG      THR  74  -7.717  15.697  -3.141
  598   1HG2  THR  74          1HG2      THR  74  -8.024  15.147  -1.089
  599   2HG2  THR  74          2HG2      THR  74  -8.747  13.576  -0.745
  600   3HG2  THR  74          3HG2      THR  74  -9.775  14.995  -0.936
  601    H    SER  75           H        SER  75  -6.074  14.416  -3.478
  602    HA   SER  75           HA       SER  75  -6.200  14.817  -6.283
  603   1HB   SER  75          2HB       SER  75  -5.032  16.299  -4.571
  604   2HB   SER  75          1HB       SER  75  -3.731  15.109  -4.562
  605    HG   SER  75           HG       SER  75  -4.554  16.838  -6.615
  606    H    THR  76           H        THR  76  -3.887  14.365  -7.447
  607    HA   THR  76           HA       THR  76  -2.653  11.872  -6.942
  608    HB   THR  76           HB       THR  76  -3.722  11.187  -9.425
  609    HG1  THR  76           1HG      THR  76  -5.423  12.781  -8.775
  610   1HG2  THR  76          1HG2      THR  76  -3.179   9.507  -7.870
  611   2HG2  THR  76          2HG2      THR  76  -4.934   9.424  -8.022
  612   3HG2  THR  76          3HG2      THR  76  -4.207  10.212  -6.622
  613    H    SER  77           H        SER  77  -0.888  11.514  -8.285
  614    HA   SER  77           HA       SER  77  -0.057  13.823  -9.819
  615   1HB   SER  77          2HB       SER  77   1.359  12.282  -8.197
  616   2HB   SER  77          1HB       SER  77   1.592  11.334  -9.665
  617    HG   SER  77           HG       SER  77   3.059  12.741 -10.155
  618    H    THR  78           H        THR  78   1.101  10.762 -10.911
  619    HA   THR  78           HA       THR  78   1.095   9.791 -12.971
  620    HB   THR  78           HB       THR  78  -1.714  10.325 -13.585
  621    HG1  THR  78           1HG      THR  78  -2.319  10.265 -11.543
  622   1HG2  THR  78          1HG2      THR  78  -0.713   7.645 -12.808
  623   2HG2  THR  78          2HG2      THR  78   0.028   8.398 -14.220
  624   3HG2  THR  78          3HG2      THR  78  -1.714   8.126 -14.178
  625    HA   PRO  79           HA       PRO  79   1.012  13.907 -15.193
  626   1HB   PRO  79          2HB       PRO  79   3.644  14.062 -15.753
  627   2HB   PRO  79          1HB       PRO  79   2.975  14.611 -14.211
  628   1HG   PRO  79          2HG       PRO  79   4.357  12.038 -14.868
  629   2HG   PRO  79          1HG       PRO  79   4.563  13.087 -13.454
  630   1HD   PRO  79          2HD       PRO  79   3.050  10.825 -13.419
  631   2HD   PRO  79          1HD       PRO  79   2.709  12.235 -12.397
  632    H    GLY  80           H        GLY  80   2.542  14.245 -17.376
  633   1HA   GLY  80          2HA       GLY  80   1.603  12.103 -19.119
  634   2HA   GLY  80          1HA       GLY  80   2.200  13.675 -19.630
  635    H    SER  81           H        SER  81   4.243  12.330 -17.337
  636    HA   SER  81           HA       SER  81   5.959  11.146 -19.418
  637   1HB   SER  81          2HB       SER  81   7.917  12.084 -18.175
  638   2HB   SER  81          1HB       SER  81   6.872  13.319 -18.876
  639    HG   SER  81           HG       SER  81   7.426  13.818 -16.723
  640    H    ARG  82           H        ARG  82   8.050  10.523 -17.544
  641    HA   ARG  82           HA       ARG  82   8.736   8.682 -16.406
  642   1HB   ARG  82          2HB       ARG  82   8.021   8.593 -14.186
  643   2HB   ARG  82          1HB       ARG  82   7.716  10.257 -14.655
  644   1HG   ARG  82          2HG       ARG  82   5.575  10.064 -14.135
  645   2HG   ARG  82          1HG       ARG  82   5.398   8.660 -15.190
  646   1HD   ARG  82          2HD       ARG  82   6.805   7.766 -12.932
  647   2HD   ARG  82          1HD       ARG  82   5.500   8.784 -12.322
  648    HE   ARG  82           HE       ARG  82   4.043   7.322 -13.827
  649   1HH1  ARG  82          1HH1      ARG  82   6.923   6.213 -12.211
  650   2HH1  ARG  82          2HH1      ARG  82   6.392   4.568 -12.114
  651   1HH2  ARG  82          1HH2      ARG  82   3.333   5.159 -13.705
  652   2HH2  ARG  82          2HH2      ARG  82   4.350   3.968 -12.965
  653    H    SER  83           H        SER  83   6.653   8.270 -18.526
  654    HA   SER  83           HA       SER  83   4.947   6.158 -17.728
  655   1HB   SER  83          2HB       SER  83   5.936   6.411 -20.546
  656   2HB   SER  83          1HB       SER  83   4.321   6.009 -19.963
  657    HG   SER  83           HG       SER  83   4.992   8.292 -20.825
  658    H    HIS  84           H        HIS  84   8.271   6.310 -18.689
  659    HA   HIS  84           HA       HIS  84   8.431   3.372 -18.532
  660   1HB   HIS  84          2HB       HIS  84  10.661   3.971 -19.926
  661   2HB   HIS  84          1HB       HIS  84   9.121   3.587 -20.689
  662    HD2  HIS  84           2HD      HIS  84   8.281   5.439 -22.426
  663    HE1  HIS  84           1HE      HIS  84  10.647   8.644 -20.997
  664    HE2  HIS  84           2HE      HIS  84   8.875   7.951 -22.673
  665    H    HIS  85           H        HIS  85   8.583   4.257 -16.173
  666    HA   HIS  85           HA       HIS  85  10.987   5.451 -15.296
  667   1HB   HIS  85          2HB       HIS  85   8.651   5.029 -14.098
  668   2HB   HIS  85          1HB       HIS  85   9.488   3.604 -13.494
  669    HD2  HIS  85           2HD      HIS  85   9.263   4.905 -10.952
  670    HE1  HIS  85           1HE      HIS  85  12.377   7.628 -11.850
  671    HE2  HIS  85           2HE      HIS  85  10.806   6.784 -10.047
  672    H    HIS  86           H        HIS  86  10.261   2.296 -16.351
  673    HA   HIS  86           HA       HIS  86  12.377   0.992 -14.874
  674   1HB   HIS  86          2HB       HIS  86  10.674  -0.023 -17.160
  675   2HB   HIS  86          1HB       HIS  86  11.750  -1.002 -16.168
  676    HD2  HIS  86           2HD      HIS  86  10.393  -2.307 -14.286
  677    HE1  HIS  86           1HE      HIS  86   7.294   0.524 -13.750
  678    HE2  HIS  86           2HE      HIS  86   8.313  -1.634 -12.893
  679    H    HIS  87           H        HIS  87  13.818  -0.516 -16.364
  680    HA   HIS  87           HA       HIS  87  15.508   1.267 -17.825
  681   1HB   HIS  87          2HB       HIS  87  15.589  -1.637 -17.113
  682   2HB   HIS  87          1HB       HIS  87  16.667  -1.033 -18.367
  683    HD2  HIS  87           2HD      HIS  87  18.238   1.289 -17.359
  684    HE1  HIS  87           1HE      HIS  87  18.275  -0.427 -13.492
  685    HE2  HIS  87           2HE      HIS  87  19.210   1.418 -14.958
  686    H    HIS  88           H        HIS  88  16.150   1.071 -20.025
  687    HA   HIS  88           HA       HIS  88  13.949   0.232 -21.750
  688   1HB   HIS  88          2HB       HIS  88  14.581   2.424 -22.275
  689   2HB   HIS  88          1HB       HIS  88  16.298   2.073 -22.102
  690    HD2  HIS  88           2HD      HIS  88  17.574   1.682 -24.421
  691    HE1  HIS  88           1HE      HIS  88  14.162   0.890 -26.795
  692    HE2  HIS  88           2HE      HIS  88  16.694   1.015 -26.768
  693    H    HIS  89           H        HIS  89  14.056  -1.445 -23.115
  694    HA   HIS  89           HA       HIS  89  16.663  -2.647 -23.705
  695   1HB   HIS  89          2HB       HIS  89  14.293  -4.029 -22.473
  696   2HB   HIS  89          1HB       HIS  89  15.475  -4.924 -23.423
  697    HD2  HIS  89           2HD      HIS  89  18.214  -4.515 -22.349
  698    HE1  HIS  89           1HE      HIS  89  16.636  -4.177 -18.435
  699    HE2  HIS  89           2HE      HIS  89  18.698  -4.720 -19.808
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  -2.374  -7.080 -27.693
    2   2H    MET   1          2HT       MET   1  -1.564  -8.209 -28.657
    3   3H    MET   1          3HT       MET   1  -0.913  -6.664 -28.439
    4    HA   MET   1           HA       MET   1   0.346  -7.643 -26.896
    5   1HB   MET   1          2HB       MET   1  -2.255  -7.612 -25.357
    6   2HB   MET   1          1HB       MET   1  -0.633  -7.462 -24.696
    7   1HG   MET   1          2HG       MET   1  -0.773  -5.406 -26.525
    8   2HG   MET   1          1HG       MET   1  -2.384  -5.441 -25.813
    9   1HE   MET   1          1HE       MET   1   1.211  -3.844 -25.153
   10   2HE   MET   1          2HE       MET   1   1.307  -5.604 -25.202
   11   3HE   MET   1          3HE       MET   1   1.596  -4.746 -23.688
   12    H    ARG   2           H        ARG   2   0.857  -9.468 -25.523
   13    HA   ARG   2           HA       ARG   2  -0.855 -11.804 -25.680
   14   1HB   ARG   2          2HB       ARG   2   1.002 -13.209 -26.613
   15   2HB   ARG   2          1HB       ARG   2   0.309 -12.064 -27.753
   16   1HG   ARG   2          2HG       ARG   2   2.189 -10.733 -27.771
   17   2HG   ARG   2          1HG       ARG   2   2.735 -11.305 -26.193
   18   1HD   ARG   2          2HD       ARG   2   3.724 -13.162 -27.055
   19   2HD   ARG   2          1HD       ARG   2   2.553 -13.310 -28.365
   20    HE   ARG   2           HE       ARG   2   4.220 -11.023 -28.688
   21   1HH1  ARG   2          1HH1      ARG   2   4.109 -14.483 -29.092
   22   2HH1  ARG   2          2HH1      ARG   2   5.297 -14.503 -30.352
   23   1HH2  ARG   2          1HH2      ARG   2   5.783 -11.041 -30.351
   24   2HH2  ARG   2          2HH2      ARG   2   6.248 -12.548 -31.067
   25    H    GLY   3           H        GLY   3  -0.610 -13.121 -23.954
   26   1HA   GLY   3          2HA       GLY   3   1.578 -13.813 -22.516
   27   2HA   GLY   3          1HA       GLY   3   1.163 -12.241 -21.850
   28    H    SER   4           H        SER   4  -0.367 -12.122 -20.320
   29    HA   SER   4           HA       SER   4  -1.846 -12.795 -18.729
   30   1HB   SER   4          2HB       SER   4  -3.477 -12.809 -20.476
   31   2HB   SER   4          1HB       SER   4  -2.883 -14.345 -21.108
   32    HG   SER   4           HG       SER   4  -3.825 -15.403 -19.474
   33    H    ASN   5           H        ASN   5  -0.232 -13.806 -17.465
   34    HA   ASN   5           HA       ASN   5   0.642 -16.449 -17.765
   35   1HB   ASN   5          2HB       ASN   5   0.944 -16.157 -15.136
   36   2HB   ASN   5          1HB       ASN   5   1.985 -15.326 -16.287
   37   1HD2  ASN   5          1HD2      ASN   5   1.685 -13.120 -16.658
   38   2HD2  ASN   5          2HD2      ASN   5   0.816 -12.123 -15.547
   39    H    ALA   6           H        ALA   6   0.202 -18.243 -16.210
   40    HA   ALA   6           HA       ALA   6  -2.518 -18.976 -16.311
   41   1HB   ALA   6          1HB       ALA   6  -1.629 -20.792 -14.627
   42   2HB   ALA   6          2HB       ALA   6  -0.060 -20.149 -15.112
   43   3HB   ALA   6          3HB       ALA   6  -1.154 -20.814 -16.325
   44    HA   PRO   7           HA       PRO   7  -4.030 -16.887 -12.684
   45   1HB   PRO   7          2HB       PRO   7  -6.235 -18.840 -12.768
   46   2HB   PRO   7          1HB       PRO   7  -6.287 -17.082 -12.924
   47   1HG   PRO   7          2HG       PRO   7  -6.722 -18.694 -15.025
   48   2HG   PRO   7          1HG       PRO   7  -5.885 -17.138 -15.198
   49   1HD   PRO   7          2HD       PRO   7  -4.740 -19.906 -15.084
   50   2HD   PRO   7          1HD       PRO   7  -4.290 -18.543 -16.132
   51    H    GLN   8           H        GLN   8  -3.164 -17.248 -10.744
   52    HA   GLN   8           HA       GLN   8  -3.866 -19.571  -9.220
   53   1HB   GLN   8          2HB       GLN   8  -1.446 -19.635 -10.726
   54   2HB   GLN   8          1HB       GLN   8  -1.035 -19.537  -9.020
   55   1HG   GLN   8          2HG       GLN   8  -2.763 -21.444  -8.746
   56   2HG   GLN   8          1HG       GLN   8  -2.531 -21.666 -10.480
   57   1HE2  GLN   8          1HE2      GLN   8  -0.142 -20.672  -8.092
   58   2HE2  GLN   8          2HE2      GLN   8   0.887 -22.047  -8.279
   59    HA   PRO   9           HA       PRO   9  -3.540 -16.591  -5.973
   60   1HB   PRO   9          2HB       PRO   9  -2.813 -18.884  -4.239
   61   2HB   PRO   9          1HB       PRO   9  -4.136 -17.725  -4.076
   62   1HG   PRO   9          2HG       PRO   9  -4.604 -20.230  -4.859
   63   2HG   PRO   9          1HG       PRO   9  -5.498 -18.869  -5.563
   64   1HD   PRO   9          2HD       PRO   9  -3.220 -20.438  -6.707
   65   2HD   PRO   9          1HD       PRO   9  -4.673 -19.809  -7.512
   66    H    SER  10           H        SER  10  -2.035 -15.929  -4.187
   67    HA   SER  10           HA       SER  10   0.722 -16.815  -4.513
   68   1HB   SER  10          2HB       SER  10   1.147 -14.128  -4.451
   69   2HB   SER  10          1HB       SER  10   1.120 -15.086  -5.932
   70    HG   SER  10           HG       SER  10  -1.177 -13.849  -4.822
   71    H    HIS  11           H        HIS  11  -1.125 -14.178  -2.999
   72    HA   HIS  11           HA       HIS  11  -0.870 -13.201  -0.933
   73   1HB   HIS  11          2HB       HIS  11  -1.464 -14.977   0.883
   74   2HB   HIS  11          1HB       HIS  11  -2.650 -14.539  -0.340
   75    HD2  HIS  11           2HD      HIS  11  -3.279 -16.524  -2.180
   76    HE1  HIS  11           1HE      HIS  11  -1.062 -19.544  -0.212
   77    HE2  HIS  11           2HE      HIS  11  -2.889 -19.073  -1.906
   78    H    ILE  12           H        ILE  12   1.215 -12.531  -0.712
   79    HA   ILE  12           HA       ILE  12   3.396 -14.204  -0.019
   80    HB   ILE  12           HB       ILE  12   3.856 -12.100  -1.057
   81   1HG1  ILE  12          2HG1      ILE  12   4.818 -11.225   1.564
   82   2HG1  ILE  12          1HG1      ILE  12   5.125 -12.934   1.257
   83   1HG2  ILE  12          1HG2      ILE  12   2.162 -10.638  -0.622
   84   2HG2  ILE  12          2HG2      ILE  12   3.395  -9.997   0.462
   85   3HG2  ILE  12          3HG2      ILE  12   2.115 -11.030   1.097
   86   1HD1  ILE  12          1HD1      ILE  12   5.939 -11.900  -1.076
   87   2HD1  ILE  12          2HD1      ILE  12   6.996 -12.127   0.318
   88   3HD1  ILE  12          3HD1      ILE  12   6.284 -10.546  -0.001
   89    H    SER  13           H        SER  13   4.558 -14.243   2.003
   90    HA   SER  13           HA       SER  13   3.017 -14.830   4.234
   91   1HB   SER  13          2HB       SER  13   5.915 -13.971   4.079
   92   2HB   SER  13          1HB       SER  13   5.156 -14.638   5.524
   93    HG   SER  13           HG       SER  13   4.717 -16.173   3.320
   94    H    LYS  14           H        LYS  14   4.548 -11.793   3.283
   95    HA   LYS  14           HA       LYS  14   2.727 -10.327   4.966
   96   1HB   LYS  14          2HB       LYS  14   4.948  -9.054   5.820
   97   2HB   LYS  14          1HB       LYS  14   4.131 -10.313   6.733
   98   1HG   LYS  14          2HG       LYS  14   5.699 -11.952   5.609
   99   2HG   LYS  14          1HG       LYS  14   6.606 -10.546   5.051
  100   1HD   LYS  14          2HD       LYS  14   5.923 -10.781   7.945
  101   2HD   LYS  14          1HD       LYS  14   7.243 -11.752   7.293
  102   1HE   LYS  14          2HE       LYS  14   8.141  -9.701   8.168
  103   2HE   LYS  14          1HE       LYS  14   8.272  -9.680   6.410
  104   1HZ   LYS  14          1HZ       LYS  14   6.874  -7.954   6.249
  105   2HZ   LYS  14          2HZ       LYS  14   7.253  -7.685   7.876
  106   3HZ   LYS  14          3HZ       LYS  14   5.841  -8.520   7.463
  107    H    TYR  15           H        TYR  15   2.478  -8.217   4.378
  108    HA   TYR  15           HA       TYR  15   4.077  -7.261   2.089
  109   1HB   TYR  15          2HB       TYR  15   1.294  -7.855   2.176
  110   2HB   TYR  15          1HB       TYR  15   1.453  -6.106   2.079
  111    HD1  TYR  15           1HD      TYR  15   3.862  -5.838   0.378
  112    HD2  TYR  15           2HD      TYR  15   0.548  -8.492   0.071
  113    HE1  TYR  15           1HE      TYR  15   4.225  -6.002  -2.048
  114    HE2  TYR  15           2HE      TYR  15   0.904  -8.664  -2.355
  115    HH   TYR  15           HH       TYR  15   3.133  -8.308  -3.918
  116    H    ILE  16           H        ILE  16   5.018  -5.301   2.460
  117    HA   ILE  16           HA       ILE  16   3.917  -3.705   4.681
  118    HB   ILE  16           HB       ILE  16   6.752  -3.837   3.663
  119   1HG1  ILE  16          2HG1      ILE  16   5.269  -4.929   5.991
  120   2HG1  ILE  16          1HG1      ILE  16   6.651  -5.590   5.128
  121   1HG2  ILE  16          1HG2      ILE  16   5.563  -1.549   4.517
  122   2HG2  ILE  16          2HG2      ILE  16   7.280  -1.908   4.719
  123   3HG2  ILE  16          3HG2      ILE  16   6.156  -2.204   6.044
  124   1HD1  ILE  16          1HD1      ILE  16   6.687  -3.430   7.217
  125   2HD1  ILE  16          2HD1      ILE  16   8.094  -3.950   6.290
  126   3HD1  ILE  16          3HD1      ILE  16   7.286  -5.080   7.376
  127    H    LEU  17           H        LEU  17   3.353  -1.660   4.352
  128    HA   LEU  17           HA       LEU  17   3.597  -0.633   1.617
  129   1HB   LEU  17          2HB       LEU  17   1.357  -0.959   3.062
  130   2HB   LEU  17          1HB       LEU  17   1.801   0.659   3.573
  131    HG   LEU  17           HG       LEU  17   2.062   0.671   0.776
  132   1HD1  LEU  17          1HD1      LEU  17   0.645  -1.444   0.955
  133   2HD1  LEU  17          2HD1      LEU  17   0.064  -0.162  -0.108
  134   3HD1  LEU  17          3HD1      LEU  17  -0.659  -0.381   1.486
  135   1HD2  LEU  17          1HD2      LEU  17   1.047   2.268   2.721
  136   2HD2  LEU  17          2HD2      LEU  17  -0.427   1.748   1.903
  137   3HD2  LEU  17          3HD2      LEU  17   0.852   2.550   0.991
  138    H    ARG  18           H        ARG  18   5.129   0.802   1.335
  139    HA   ARG  18           HA       ARG  18   5.848   2.574   3.564
  140   1HB   ARG  18          2HB       ARG  18   7.621   2.277   1.192
  141   2HB   ARG  18          1HB       ARG  18   8.041   2.542   2.879
  142   1HG   ARG  18          2HG       ARG  18   6.772  -0.017   2.544
  143   2HG   ARG  18          1HG       ARG  18   8.157   0.146   1.461
  144   1HD   ARG  18          2HD       ARG  18   8.137   0.528   4.450
  145   2HD   ARG  18          1HD       ARG  18   8.876  -0.801   3.559
  146    HE   ARG  18           HE       ARG  18  10.165   1.280   2.519
  147   1HH1  ARG  18          1HH1      ARG  18   9.421   0.511   5.834
  148   2HH1  ARG  18          2HH1      ARG  18  10.818   1.314   6.469
  149   1HH2  ARG  18          1HH2      ARG  18  12.006   2.339   3.345
  150   2HH2  ARG  18          2HH2      ARG  18  12.287   2.354   5.054
  151    H    TRP  19           H        TRP  19   5.662   4.747   3.318
  152    HA   TRP  19           HA       TRP  19   5.548   5.964   0.728
  153   1HB   TRP  19          2HB       TRP  19   3.312   6.579   0.584
  154   2HB   TRP  19          1HB       TRP  19   3.209   4.938   1.209
  155    HD1  TRP  19           HD       TRP  19   2.531   8.560   2.169
  156    HE1  TRP  19           1HE      TRP  19   1.184   8.603   4.361
  157    HE3  TRP  19           3HE      TRP  19   2.809   3.603   3.392
  158    HZ2  TRP  19           2HZ      TRP  19   0.346   6.778   6.344
  159    HZ3  TRP  19           3HZ      TRP  19   1.705   2.834   5.453
  160    HH2  TRP  19           HH       TRP  19   0.499   4.390   6.897
  161    H    ARG  20           H        ARG  20   5.613   8.203   0.758
  162    HA   ARG  20           HA       ARG  20   5.526   9.691   3.210
  163   1HB   ARG  20          2HB       ARG  20   7.819  10.371   3.286
  164   2HB   ARG  20          1HB       ARG  20   7.800   8.614   3.243
  165   1HG   ARG  20          2HG       ARG  20   9.222   8.720   1.551
  166   2HG   ARG  20          1HG       ARG  20   7.917   9.390   0.573
  167   1HD   ARG  20          2HD       ARG  20   8.786  11.461   0.615
  168   2HD   ARG  20          1HD       ARG  20   9.251  11.335   2.312
  169    HE   ARG  20           HE       ARG  20  10.933   9.718   0.722
  170   1HH1  ARG  20          1HH1      ARG  20  10.297  13.057   1.488
  171   2HH1  ARG  20          2HH1      ARG  20  11.917  13.573   1.157
  172   1HH2  ARG  20          1HH2      ARG  20  13.064  10.386   0.292
  173   2HH2  ARG  20          2HH2      ARG  20  13.491  12.053   0.477
  174    HA   PRO  21           HA       PRO  21   4.378  12.932   0.449
  175   1HB   PRO  21          2HB       PRO  21   6.114  14.724   2.078
  176   2HB   PRO  21          1HB       PRO  21   4.403  14.886   1.664
  177   1HG   PRO  21          2HG       PRO  21   5.069  14.142   4.104
  178   2HG   PRO  21          1HG       PRO  21   3.741  13.316   3.261
  179   1HD   PRO  21          2HD       PRO  21   6.580  12.413   3.637
  180   2HD   PRO  21          1HD       PRO  21   5.072  11.493   3.844
  181    H    LYS  22           H        LYS  22   5.184  12.995  -1.535
  182    HA   LYS  22           HA       LYS  22   7.947  12.898  -2.150
  183   1HB   LYS  22          2HB       LYS  22   5.945  12.142  -3.578
  184   2HB   LYS  22          1HB       LYS  22   5.806  13.830  -4.050
  185   1HG   LYS  22          2HG       LYS  22   8.505  13.153  -4.401
  186   2HG   LYS  22          1HG       LYS  22   7.567  11.803  -5.046
  187   1HD   LYS  22          2HD       LYS  22   6.547  14.453  -5.782
  188   2HD   LYS  22          1HD       LYS  22   8.155  14.090  -6.408
  189   1HE   LYS  22          2HE       LYS  22   5.785  12.253  -6.702
  190   2HE   LYS  22          1HE       LYS  22   6.258  13.442  -7.914
  191   1HZ   LYS  22          1HZ       LYS  22   7.867  11.134  -6.968
  192   2HZ   LYS  22          2HZ       LYS  22   8.448  12.331  -8.012
  193   3HZ   LYS  22          3HZ       LYS  22   7.176  11.330  -8.499
  194    H    ASN  23           H        ASN  23   5.635  15.513  -1.822
  195    HA   ASN  23           HA       ASN  23   7.567  17.471  -2.791
  196   1HB   ASN  23          2HB       ASN  23   5.334  17.842  -3.559
  197   2HB   ASN  23          1HB       ASN  23   4.680  17.686  -1.932
  198   1HD2  ASN  23          1HD2      ASN  23   7.335  19.551  -3.372
  199   2HD2  ASN  23          2HD2      ASN  23   6.815  21.081  -2.763
  200    H    SER  24           H        SER  24   5.817  16.659   0.183
  201    HA   SER  24           HA       SER  24   7.353  18.648   1.667
  202   1HB   SER  24          2HB       SER  24   4.748  17.601   1.917
  203   2HB   SER  24          1HB       SER  24   5.639  17.032   3.328
  204    HG   SER  24           HG       SER  24   5.937  19.706   2.594
  205    H    VAL  25           H        VAL  25   7.450  17.430   4.153
  206    HA   VAL  25           HA       VAL  25   9.156  15.072   3.741
  207    HB   VAL  25           HB       VAL  25  10.689  15.944   5.511
  208   1HG1  VAL  25          1HG1      VAL  25  10.427  16.904   2.776
  209   2HG1  VAL  25          2HG1      VAL  25  11.850  16.322   3.641
  210   3HG1  VAL  25          3HG1      VAL  25  11.345  18.004   3.805
  211   1HG2  VAL  25          1HG2      VAL  25   8.862  17.643   6.256
  212   2HG2  VAL  25          2HG2      VAL  25   9.576  18.672   5.016
  213   3HG2  VAL  25          3HG2      VAL  25  10.565  18.090   6.356
  214    H    GLY  26           H        GLY  26   9.538  13.853   5.780
  215   1HA   GLY  26          2HA       GLY  26   8.476  14.046   8.213
  216   2HA   GLY  26          1HA       GLY  26   7.037  13.693   7.267
  217    H    ARG  27           H        ARG  27  10.112  12.377   6.348
  218    HA   ARG  27           HA       ARG  27  10.904  10.252   6.221
  219   1HB   ARG  27          2HB       ARG  27  10.023  10.624   8.895
  220   2HB   ARG  27          1HB       ARG  27   9.581   8.992   8.417
  221   1HG   ARG  27          2HG       ARG  27  11.970   8.716   7.636
  222   2HG   ARG  27          1HG       ARG  27  12.314  10.232   8.472
  223   1HD   ARG  27          2HD       ARG  27  12.782   8.800  10.171
  224   2HD   ARG  27          1HD       ARG  27  11.047   8.967  10.443
  225    HE   ARG  27           HE       ARG  27  11.529   6.834   8.666
  226   1HH1  ARG  27          1HH1      ARG  27  11.876   7.694  12.027
  227   2HH1  ARG  27          2HH1      ARG  27  11.759   6.060  12.588
  228   1HH2  ARG  27          1HH2      ARG  27  11.374   4.682   9.397
  229   2HH2  ARG  27          2HH2      ARG  27  11.474   4.348  11.094
  230    H    TRP  28           H        TRP  28  10.082   7.807   6.430
  231    HA   TRP  28           HA       TRP  28   7.747   7.682   4.687
  232   1HB   TRP  28          2HB       TRP  28   9.895   5.696   5.421
  233   2HB   TRP  28          1HB       TRP  28   8.466   5.234   4.502
  234    HD1  TRP  28           HD       TRP  28  11.230   7.960   4.175
  235    HE1  TRP  28           1HE      TRP  28  11.867   8.130   1.687
  236    HE3  TRP  28           3HE      TRP  28   7.970   4.518   2.268
  237    HZ2  TRP  28           2HZ      TRP  28  11.090   6.956  -0.762
  238    HZ3  TRP  28           3HZ      TRP  28   7.979   4.099  -0.157
  239    HH2  TRP  28           HH       TRP  28   9.507   5.293  -1.638
  240    H    LYS  29           H        LYS  29   6.561   5.402   5.054
  241    HA   LYS  29           HA       LYS  29   6.000   4.959   7.884
  242   1HB   LYS  29          2HB       LYS  29   4.389   6.678   6.528
  243   2HB   LYS  29          1HB       LYS  29   3.587   5.152   6.184
  244   1HG   LYS  29          2HG       LYS  29   2.632   5.182   8.176
  245   2HG   LYS  29          1HG       LYS  29   4.214   5.231   8.957
  246   1HD   LYS  29          2HD       LYS  29   4.233   7.694   8.643
  247   2HD   LYS  29          1HD       LYS  29   2.593   7.589   8.000
  248   1HE   LYS  29          2HE       LYS  29   3.344   6.542  10.717
  249   2HE   LYS  29          1HE       LYS  29   2.819   8.204  10.452
  250   1HZ   LYS  29          1HZ       LYS  29   0.911   6.774   9.191
  251   2HZ   LYS  29          2HZ       LYS  29   0.784   7.377  10.767
  252   3HZ   LYS  29          3HZ       LYS  29   1.272   5.778  10.511
  253    H    GLU  30           H        GLU  30   5.351   2.843   8.308
  254    HA   GLU  30           HA       GLU  30   5.200   1.096   5.937
  255   1HB   GLU  30          2HB       GLU  30   6.177   0.085   8.578
  256   2HB   GLU  30          1HB       GLU  30   6.509  -0.521   6.962
  257   1HG   GLU  30          2HG       GLU  30   8.251   0.864   6.655
  258   2HG   GLU  30          1HG       GLU  30   7.482   2.197   7.516
  259    H    ALA  31           H        ALA  31   3.573  -0.287   5.760
  260    HA   ALA  31           HA       ALA  31   1.885  -0.847   8.097
  261   1HB   ALA  31          1HB       ALA  31   1.078   0.415   5.536
  262   2HB   ALA  31          2HB       ALA  31   0.437   0.643   7.164
  263   3HB   ALA  31          3HB       ALA  31  -0.017  -0.782   6.229
  264    H    THR  32           H        THR  32   2.094  -2.966   8.379
  265    HA   THR  32           HA       THR  32   2.582  -4.709   6.114
  266    HB   THR  32           HB       THR  32   2.498  -5.432   9.043
  267    HG1  THR  32           1HG      THR  32   4.505  -4.754   9.114
  268   1HG2  THR  32          1HG2      THR  32   3.517  -6.927   6.619
  269   2HG2  THR  32          2HG2      THR  32   2.126  -7.361   7.616
  270   3HG2  THR  32          3HG2      THR  32   3.755  -7.433   8.293
  271    H    ILE  33           H        ILE  33   1.313  -6.289   5.388
  272    HA   ILE  33           HA       ILE  33  -1.223  -6.866   6.715
  273    HB   ILE  33           HB       ILE  33  -1.834  -6.908   3.982
  274   1HG1  ILE  33          2HG1      ILE  33  -0.762  -4.172   4.644
  275   2HG1  ILE  33          1HG1      ILE  33   0.239  -5.376   3.839
  276   1HG2  ILE  33          1HG2      ILE  33  -3.560  -6.406   5.412
  277   2HG2  ILE  33          2HG2      ILE  33  -3.217  -4.819   4.722
  278   3HG2  ILE  33          3HG2      ILE  33  -2.608  -5.234   6.325
  279   1HD1  ILE  33          1HD1      ILE  33  -2.066  -3.834   2.821
  280   2HD1  ILE  33          2HD1      ILE  33  -1.874  -5.486   2.235
  281   3HD1  ILE  33          3HD1      ILE  33  -0.572  -4.315   2.017
  282    HA   PRO  34           HA       PRO  34   0.711 -10.852   5.715
  283   1HB   PRO  34          2HB       PRO  34  -1.261 -12.323   6.961
  284   2HB   PRO  34          1HB       PRO  34   0.151 -11.648   7.782
  285   1HG   PRO  34          2HG       PRO  34  -2.634 -10.562   7.603
  286   2HG   PRO  34          1HG       PRO  34  -1.548 -10.632   9.004
  287   1HD   PRO  34          2HD       PRO  34  -1.881  -8.359   7.642
  288   2HD   PRO  34          1HD       PRO  34  -0.288  -8.819   8.273
  289    H    GLY  35           H        GLY  35   0.270 -10.656   3.452
  290   1HA   GLY  35          2HA       GLY  35  -0.770 -11.201   1.477
  291   2HA   GLY  35          1HA       GLY  35  -1.413 -12.570   2.370
  292    H    HIS  36           H        HIS  36  -2.035  -9.105   2.791
  293    HA   HIS  36           HA       HIS  36  -3.959  -7.896   2.816
  294   1HB   HIS  36          2HB       HIS  36  -3.868  -8.681   0.377
  295   2HB   HIS  36          1HB       HIS  36  -5.086  -9.867   0.834
  296    HD2  HIS  36           2HD      HIS  36  -7.177  -8.139   2.473
  297    HE1  HIS  36           1HE      HIS  36  -7.045  -5.463  -0.804
  298    HE2  HIS  36           2HE      HIS  36  -8.261  -6.074   1.336
  299    H    LEU  37           H        LEU  37  -4.455  -8.481   4.966
  300    HA   LEU  37           HA       LEU  37  -6.129 -10.770   5.485
  301   1HB   LEU  37          2HB       LEU  37  -5.762 -10.382   7.703
  302   2HB   LEU  37          1HB       LEU  37  -4.352  -9.591   7.025
  303    HG   LEU  37           HG       LEU  37  -6.656  -7.806   7.326
  304   1HD1  LEU  37          1HD1      LEU  37  -5.662  -7.880   9.921
  305   2HD1  LEU  37          2HD1      LEU  37  -5.959  -9.567   9.500
  306   3HD1  LEU  37          3HD1      LEU  37  -7.263  -8.386   9.381
  307   1HD2  LEU  37          1HD2      LEU  37  -3.770  -7.715   8.190
  308   2HD2  LEU  37          2HD2      LEU  37  -4.913  -6.381   8.347
  309   3HD2  LEU  37          3HD2      LEU  37  -4.468  -6.978   6.747
  310    H    ASN  38           H        ASN  38  -6.542  -7.331   5.019
  311    HA   ASN  38           HA       ASN  38  -9.334  -7.627   4.537
  312   1HB   ASN  38          2HB       ASN  38 -10.277  -6.511   6.374
  313   2HB   ASN  38          1HB       ASN  38  -9.103  -7.602   7.105
  314   1HD2  ASN  38          1HD2      ASN  38 -10.310  -4.638   7.355
  315   2HD2  ASN  38          2HD2      ASN  38  -8.945  -3.783   7.976
  316    H    SER  39           H        SER  39 -10.252  -5.094   4.789
  317    HA   SER  39           HA       SER  39  -8.792  -3.731   2.716
  318   1HB   SER  39          2HB       SER  39 -11.421  -3.874   3.275
  319   2HB   SER  39          1HB       SER  39 -11.036  -2.354   4.083
  320    HG   SER  39           HG       SER  39  -9.891  -1.963   1.914
  321    H    TYR  40           H        TYR  40  -7.179  -2.379   3.056
  322    HA   TYR  40           HA       TYR  40  -6.985  -1.014   5.655
  323   1HB   TYR  40          2HB       TYR  40  -5.126  -2.597   4.768
  324   2HB   TYR  40          1HB       TYR  40  -4.719  -1.264   3.693
  325    HD1  TYR  40           1HD      TYR  40  -4.270  -2.661   6.937
  326    HD2  TYR  40           2HD      TYR  40  -4.230   1.014   4.793
  327    HE1  TYR  40           1HE      TYR  40  -2.925  -1.640   8.724
  328    HE2  TYR  40           2HE      TYR  40  -2.884   2.046   6.572
  329    HH   TYR  40           HH       TYR  40  -2.329   0.471   9.604
  330    H    THR  41           H        THR  41  -7.282   1.115   5.722
  331    HA   THR  41           HA       THR  41  -7.278   2.605   3.186
  332    HB   THR  41           HB       THR  41  -9.426   2.579   4.421
  333    HG1  THR  41           1HG      THR  41  -8.184   5.146   4.379
  334   1HG2  THR  41          1HG2      THR  41  -9.566   2.966   6.615
  335   2HG2  THR  41          2HG2      THR  41  -8.692   4.489   6.458
  336   3HG2  THR  41          3HG2      THR  41  -7.804   2.979   6.665
  337    H    ILE  42           H        ILE  42  -6.271   4.613   3.037
  338    HA   ILE  42           HA       ILE  42  -4.187   5.078   5.058
  339    HB   ILE  42           HB       ILE  42  -4.332   5.763   2.129
  340   1HG1  ILE  42          2HG1      ILE  42  -1.859   4.634   3.049
  341   2HG1  ILE  42          1HG1      ILE  42  -3.197   3.655   3.640
  342   1HG2  ILE  42          1HG2      ILE  42  -2.558   6.927   4.246
  343   2HG2  ILE  42          2HG2      ILE  42  -3.433   7.747   2.952
  344   3HG2  ILE  42          3HG2      ILE  42  -2.006   6.780   2.577
  345   1HD1  ILE  42          1HD1      ILE  42  -3.794   4.181   0.970
  346   2HD1  ILE  42          2HD1      ILE  42  -3.231   2.662   1.669
  347   3HD1  ILE  42          3HD1      ILE  42  -2.069   3.814   1.009
  348    H    LYS  43           H        LYS  43  -4.008   6.990   6.103
  349    HA   LYS  43           HA       LYS  43  -6.173   8.603   6.568
  350   1HB   LYS  43          2HB       LYS  43  -3.767   8.453   7.677
  351   2HB   LYS  43          1HB       LYS  43  -3.478   9.873   6.680
  352   1HG   LYS  43          2HG       LYS  43  -4.240  10.950   8.503
  353   2HG   LYS  43          1HG       LYS  43  -5.812  10.581   7.790
  354   1HD   LYS  43          2HD       LYS  43  -4.501   8.651   9.669
  355   2HD   LYS  43          1HD       LYS  43  -5.397  10.039  10.290
  356   1HE   LYS  43          2HE       LYS  43  -7.290   8.908  10.031
  357   2HE   LYS  43          1HE       LYS  43  -6.997   8.842   8.293
  358   1HZ   LYS  43          1HZ       LYS  43  -6.083   6.867  10.313
  359   2HZ   LYS  43          2HZ       LYS  43  -5.676   6.821   8.672
  360   3HZ   LYS  43          3HZ       LYS  43  -7.288   6.635   9.147
  361    H    GLY  44           H        GLY  44  -6.663  10.801   6.017
  362   1HA   GLY  44          2HA       GLY  44  -6.793  11.281   3.267
  363   2HA   GLY  44          1HA       GLY  44  -7.104  12.476   4.515
  364    H    LEU  45           H        LEU  45  -5.453  12.134   1.831
  365    HA   LEU  45           HA       LEU  45  -2.820  12.923   2.588
  366   1HB   LEU  45          2HB       LEU  45  -4.294  12.883  -0.036
  367   2HB   LEU  45          1HB       LEU  45  -2.628  13.380   0.106
  368    HG   LEU  45           HG       LEU  45  -2.510  11.158  -0.601
  369   1HD1  LEU  45          1HD1      LEU  45  -1.337  10.071   1.090
  370   2HD1  LEU  45          2HD1      LEU  45  -2.344  10.761   2.361
  371   3HD1  LEU  45          3HD1      LEU  45  -1.190  11.779   1.502
  372   1HD2  LEU  45          1HD2      LEU  45  -5.046  10.923   0.484
  373   2HD2  LEU  45          2HD2      LEU  45  -4.064   9.813   1.439
  374   3HD2  LEU  45          3HD2      LEU  45  -4.122   9.651  -0.316
  375    H    LYS  46           H        LYS  46  -3.028  14.985   0.223
  376    HA   LYS  46           HA       LYS  46  -4.421  17.164   1.522
  377   1HB   LYS  46          2HB       LYS  46  -2.307  17.196   2.712
  378   2HB   LYS  46          1HB       LYS  46  -1.417  17.194   1.196
  379   1HG   LYS  46          2HG       LYS  46  -2.114  19.393   0.675
  380   2HG   LYS  46          1HG       LYS  46  -3.316  19.393   1.962
  381   1HD   LYS  46          2HD       LYS  46  -0.329  19.311   2.334
  382   2HD   LYS  46          1HD       LYS  46  -1.374  20.711   2.574
  383   1HE   LYS  46          2HE       LYS  46  -1.344  18.150   4.160
  384   2HE   LYS  46          1HE       LYS  46  -0.906  19.762   4.718
  385   1HZ   LYS  46          1HZ       LYS  46  -3.038  20.315   5.045
  386   2HZ   LYS  46          2HZ       LYS  46  -3.313  18.647   5.068
  387   3HZ   LYS  46          3HZ       LYS  46  -3.586  19.529   3.651
  388    HA   PRO  47           HA       PRO  47  -5.004  18.197  -2.750
  389   1HB   PRO  47          2HB       PRO  47  -5.681  20.897  -1.789
  390   2HB   PRO  47          1HB       PRO  47  -6.683  19.731  -2.655
  391   1HG   PRO  47          2HG       PRO  47  -7.091  20.294  -0.060
  392   2HG   PRO  47          1HG       PRO  47  -7.354  18.668  -0.720
  393   1HD   PRO  47          2HD       PRO  47  -5.044  19.719   0.868
  394   2HD   PRO  47          1HD       PRO  47  -5.863  18.147   0.974
  395    H    GLY  48           H        GLY  48  -3.289  18.530  -4.018
  396   1HA   GLY  48          2HA       GLY  48  -1.908  20.112  -5.171
  397   2HA   GLY  48          1HA       GLY  48  -1.790  21.039  -3.684
  398    H    VAL  49           H        VAL  49  -1.411  18.086  -2.529
  399    HA   VAL  49           HA       VAL  49   1.493  18.049  -3.043
  400    HB   VAL  49           HB       VAL  49   0.323  16.951  -0.515
  401   1HG1  VAL  49          1HG1      VAL  49   2.894  17.166  -1.611
  402   2HG1  VAL  49          2HG1      VAL  49   2.456  16.637   0.013
  403   3HG1  VAL  49          3HG1      VAL  49   2.829  18.334  -0.292
  404   1HG2  VAL  49          1HG2      VAL  49  -0.330  18.940   0.217
  405   2HG2  VAL  49          2HG2      VAL  49   0.174  19.694  -1.296
  406   3HG2  VAL  49          3HG2      VAL  49   1.322  19.531   0.032
  407    H    VAL  50           H        VAL  50   2.368  16.201  -3.743
  408    HA   VAL  50           HA       VAL  50   0.615  13.861  -3.978
  409    HB   VAL  50           HB       VAL  50   3.139  14.639  -5.432
  410   1HG1  VAL  50          1HG1      VAL  50   3.534  12.382  -5.297
  411   2HG1  VAL  50          2HG1      VAL  50   2.524  12.446  -6.742
  412   3HG1  VAL  50          3HG1      VAL  50   1.821  11.977  -5.194
  413   1HG2  VAL  50          1HG2      VAL  50   1.811  15.227  -7.133
  414   2HG2  VAL  50          2HG2      VAL  50   0.514  15.229  -5.938
  415   3HG2  VAL  50          3HG2      VAL  50   0.786  13.804  -6.943
  416    H    TYR  51           H        TYR  51   1.066  11.948  -3.018
  417    HA   TYR  51           HA       TYR  51   3.403  11.893  -1.236
  418   1HB   TYR  51          2HB       TYR  51   0.714  10.543  -1.112
  419   2HB   TYR  51          1HB       TYR  51   2.071   9.978  -0.143
  420    HD1  TYR  51           1HD      TYR  51   0.237  13.144  -0.916
  421    HD2  TYR  51           2HD      TYR  51   2.319  10.834   1.988
  422    HE1  TYR  51           1HE      TYR  51  -0.299  14.825   0.797
  423    HE2  TYR  51           2HE      TYR  51   1.788  12.508   3.709
  424    HH   TYR  51           HH       TYR  51  -0.509  14.627   3.568
  425    H    GLU  52           H        GLU  52   5.056  10.680  -1.854
  426    HA   GLU  52           HA       GLU  52   4.747   8.756  -3.989
  427   1HB   GLU  52          2HB       GLU  52   7.136   8.531  -3.935
  428   2HB   GLU  52          1HB       GLU  52   6.749  10.239  -3.782
  429   1HG   GLU  52          2HG       GLU  52   7.159  10.146  -1.397
  430   2HG   GLU  52          1HG       GLU  52   7.472   8.414  -1.500
  431    H    GLY  53           H        GLY  53   4.773   6.542  -3.835
  432   1HA   GLY  53          2HA       GLY  53   5.213   5.392  -1.169
  433   2HA   GLY  53          1HA       GLY  53   3.680   5.094  -1.970
  434    H    GLN  54           H        GLN  54   5.790   3.296  -1.075
  435    HA   GLN  54           HA       GLN  54   6.169   1.815  -3.569
  436   1HB   GLN  54          2HB       GLN  54   8.369   2.406  -3.315
  437   2HB   GLN  54          1HB       GLN  54   8.209   2.664  -1.583
  438   1HG   GLN  54          2HG       GLN  54   8.205   0.242  -1.234
  439   2HG   GLN  54          1HG       GLN  54   8.407   0.005  -2.971
  440   1HE2  GLN  54          1HE2      GLN  54  10.293   1.499  -3.822
  441   2HE2  GLN  54          2HE2      GLN  54  11.771   1.331  -2.945
  442    H    LEU  55           H        LEU  55   6.107  -0.491  -3.292
  443    HA   LEU  55           HA       LEU  55   5.072  -1.343  -0.667
  444   1HB   LEU  55          2HB       LEU  55   3.335  -1.172  -2.449
  445   2HB   LEU  55          1HB       LEU  55   4.199  -2.398  -3.354
  446    HG   LEU  55           HG       LEU  55   3.832  -3.977  -1.452
  447   1HD1  LEU  55          1HD1      LEU  55   3.152  -1.678  -0.062
  448   2HD1  LEU  55          2HD1      LEU  55   2.941  -3.342   0.484
  449   3HD1  LEU  55          3HD1      LEU  55   1.615  -2.503  -0.320
  450   1HD2  LEU  55          1HD2      LEU  55   1.286  -2.811  -2.566
  451   2HD2  LEU  55          2HD2      LEU  55   1.559  -4.468  -2.025
  452   3HD2  LEU  55          3HD2      LEU  55   2.373  -3.866  -3.470
  453    H    ILE  56           H        ILE  56   6.569  -2.583   0.262
  454    HA   ILE  56           HA       ILE  56   8.201  -4.350  -1.407
  455    HB   ILE  56           HB       ILE  56   8.522  -3.644   1.516
  456   1HG1  ILE  56          2HG1      ILE  56  10.626  -2.945  -0.410
  457   2HG1  ILE  56          1HG1      ILE  56   9.111  -2.095  -0.664
  458   1HG2  ILE  56          1HG2      ILE  56  10.256  -5.281  -0.324
  459   2HG2  ILE  56          2HG2      ILE  56   9.347  -5.877   1.065
  460   3HG2  ILE  56          3HG2      ILE  56  10.702  -4.773   1.303
  461   1HD1  ILE  56          1HD1      ILE  56  10.040  -0.648   0.789
  462   2HD1  ILE  56          2HD1      ILE  56  11.063  -1.881   1.526
  463   3HD1  ILE  56          3HD1      ILE  56   9.363  -1.762   1.977
  464    H    SER  57           H        SER  57   8.151  -6.535  -1.255
  465    HA   SER  57           HA       SER  57   6.110  -7.684   0.522
  466   1HB   SER  57          2HB       SER  57   6.992  -9.246  -1.830
  467   2HB   SER  57          1HB       SER  57   5.375  -9.032  -1.155
  468    HG   SER  57           HG       SER  57   5.411  -7.963  -3.089
  469    H    ILE  58           H        ILE  58   6.848  -8.923   2.074
  470    HA   ILE  58           HA       ILE  58   9.517 -10.132   1.799
  471    HB   ILE  58           HB       ILE  58   8.058  -9.506   4.369
  472   1HG1  ILE  58          2HG1      ILE  58  10.439  -7.963   4.007
  473   2HG1  ILE  58          1HG1      ILE  58   9.421  -7.755   2.585
  474   1HG2  ILE  58          1HG2      ILE  58   9.664 -11.357   4.507
  475   2HG2  ILE  58          2HG2      ILE  58  10.194  -9.955   5.436
  476   3HG2  ILE  58          3HG2      ILE  58  10.924 -10.302   3.868
  477   1HD1  ILE  58          1HD1      ILE  58   9.188  -6.216   4.712
  478   2HD1  ILE  58          2HD1      ILE  58   8.142  -7.531   5.248
  479   3HD1  ILE  58          3HD1      ILE  58   7.789  -6.682   3.744
  480    H    GLN  59           H        GLN  59   9.633 -12.266   1.686
  481    HA   GLN  59           HA       GLN  59   7.332 -13.843   2.636
  482   1HB   GLN  59          2HB       GLN  59   8.731 -15.476   0.888
  483   2HB   GLN  59          1HB       GLN  59   7.236 -14.619   0.540
  484   1HG   GLN  59          2HG       GLN  59   8.623 -12.687  -0.230
  485   2HG   GLN  59          1HG       GLN  59  10.042 -13.717  -0.056
  486   1HE2  GLN  59          1HE2      GLN  59   9.044 -16.113  -0.972
  487   2HE2  GLN  59          2HE2      GLN  59   8.681 -15.976  -2.656
  488    H    GLN  60           H        GLN  60   8.129 -16.276   2.892
  489    HA   GLN  60           HA       GLN  60   9.869 -16.269   5.128
  490   1HB   GLN  60          2HB       GLN  60   9.705 -18.798   4.874
  491   2HB   GLN  60          1HB       GLN  60   8.196 -17.929   5.122
  492   1HG   GLN  60          2HG       GLN  60   7.589 -18.150   2.847
  493   2HG   GLN  60          1HG       GLN  60   9.198 -18.716   2.403
  494   1HE2  GLN  60          1HE2      GLN  60   9.863 -20.711   3.790
  495   2HE2  GLN  60          2HE2      GLN  60   8.680 -21.969   3.857
  496    H    TYR  61           H        TYR  61  10.462 -16.339   1.798
  497    HA   TYR  61           HA       TYR  61  13.089 -17.598   2.139
  498   1HB   TYR  61          2HB       TYR  61  11.200 -17.322  -0.097
  499   2HB   TYR  61          1HB       TYR  61  12.884 -17.049  -0.536
  500    HD1  TYR  61           1HD      TYR  61  14.207 -18.874  -1.077
  501    HD2  TYR  61           2HD      TYR  61  10.744 -19.486   1.316
  502    HE1  TYR  61           1HE      TYR  61  14.579 -21.303  -1.172
  503    HE2  TYR  61           2HE      TYR  61  11.106 -21.916   1.229
  504    HH   TYR  61           HH       TYR  61  13.673 -23.375   0.677
  505    H    GLY  62           H        GLY  62  11.725 -14.595   2.260
  506   1HA   GLY  62          2HA       GLY  62  12.576 -12.465   2.204
  507   2HA   GLY  62          1HA       GLY  62  14.156 -13.214   2.373
  508    H    HIS  63           H        HIS  63  11.651 -12.779  -0.132
  509    HA   HIS  63           HA       HIS  63  13.718 -12.639  -2.177
  510   1HB   HIS  63          2HB       HIS  63  10.811 -13.104  -2.123
  511   2HB   HIS  63          1HB       HIS  63  11.373 -12.145  -3.488
  512    HD2  HIS  63           2HD      HIS  63  10.264 -15.188  -3.950
  513    HE1  HIS  63           1HE      HIS  63  14.356 -16.061  -4.592
  514    HE2  HIS  63           2HE      HIS  63  11.973 -16.770  -5.094
  515    H    GLN  64           H        GLN  64  11.388 -10.579  -0.568
  516    HA   GLN  64           HA       GLN  64  11.108  -8.332  -0.489
  517   1HB   GLN  64          2HB       GLN  64  13.967  -8.547  -1.360
  518   2HB   GLN  64          1HB       GLN  64  13.192  -6.971  -1.272
  519   1HG   GLN  64          2HG       GLN  64  12.676  -8.467   1.123
  520   2HG   GLN  64          1HG       GLN  64  14.409  -8.396   0.797
  521   1HE2  GLN  64          1HE2      GLN  64  12.528  -7.068   2.781
  522   2HE2  GLN  64          2HE2      GLN  64  12.945  -5.394   2.689
  523    H    GLU  65           H        GLU  65   9.453  -8.313  -2.002
  524    HA   GLU  65           HA       GLU  65  10.130  -7.695  -4.786
  525   1HB   GLU  65          2HB       GLU  65   8.246  -9.356  -3.793
  526   2HB   GLU  65          1HB       GLU  65   7.303  -7.877  -3.891
  527   1HG   GLU  65          2HG       GLU  65   6.909  -8.410  -6.007
  528   2HG   GLU  65          1HG       GLU  65   8.591  -7.993  -6.333
  529    H    VAL  66           H        VAL  66   9.522  -5.702  -5.747
  530    HA   VAL  66           HA       VAL  66   8.361  -3.741  -3.887
  531    HB   VAL  66           HB       VAL  66  10.676  -3.091  -5.697
  532   1HG1  VAL  66          1HG1      VAL  66  10.737  -1.169  -3.908
  533   2HG1  VAL  66          2HG1      VAL  66   9.035  -1.593  -3.711
  534   3HG1  VAL  66          3HG1      VAL  66   9.641  -1.082  -5.288
  535   1HG2  VAL  66          1HG2      VAL  66  10.681  -4.503  -3.214
  536   2HG2  VAL  66          2HG2      VAL  66  11.423  -2.920  -2.978
  537   3HG2  VAL  66          3HG2      VAL  66  12.049  -4.011  -4.213
  538    H    THR  67           H        THR  67   6.944  -2.346  -4.664
  539    HA   THR  67           HA       THR  67   6.656  -1.970  -7.556
  540    HB   THR  67           HB       THR  67   4.264  -2.471  -5.775
  541    HG1  THR  67           1HG      THR  67   4.743  -4.383  -7.650
  542   1HG2  THR  67          1HG2      THR  67   3.677  -3.026  -8.445
  543   2HG2  THR  67          2HG2      THR  67   4.640  -1.549  -8.488
  544   3HG2  THR  67          3HG2      THR  67   3.167  -1.614  -7.520
  545    H    ARG  68           H        ARG  68   6.670   0.169  -7.948
  546    HA   ARG  68           HA       ARG  68   6.173   2.004  -5.741
  547   1HB   ARG  68          2HB       ARG  68   7.003   2.825  -8.508
  548   2HB   ARG  68          1HB       ARG  68   7.312   3.637  -6.981
  549   1HG   ARG  68          2HG       ARG  68   8.591   1.300  -6.555
  550   2HG   ARG  68          1HG       ARG  68   8.784   1.466  -8.301
  551   1HD   ARG  68          2HD       ARG  68   9.875   3.554  -8.074
  552   2HD   ARG  68          1HD       ARG  68   9.415   3.690  -6.377
  553    HE   ARG  68           HE       ARG  68  11.328   1.673  -7.364
  554   1HH1  ARG  68          1HH1      ARG  68  10.318   4.059  -5.034
  555   2HH1  ARG  68          2HH1      ARG  68  11.676   3.802  -3.991
  556   1HH2  ARG  68          1HH2      ARG  68  13.115   1.324  -5.998
  557   2HH2  ARG  68          2HH2      ARG  68  13.268   2.246  -4.540
  558    H    PHE  69           H        PHE  69   4.685   3.674  -5.761
  559    HA   PHE  69           HA       PHE  69   2.877   4.045  -7.970
  560   1HB   PHE  69          2HB       PHE  69   0.879   3.682  -6.325
  561   2HB   PHE  69          1HB       PHE  69   1.585   2.308  -7.165
  562    HD1  PHE  69           1HD      PHE  69   1.670   0.434  -5.881
  563    HD2  PHE  69           2HD      PHE  69   2.381   4.200  -4.030
  564    HE1  PHE  69           1HE      PHE  69   2.033  -0.696  -3.730
  565    HE2  PHE  69           2HE      PHE  69   2.755   3.074  -1.869
  566    HZ   PHE  69           HZ       PHE  69   2.579   0.620  -1.722
  567    H    ASP  70           H        ASP  70   1.723   5.954  -7.873
  568    HA   ASP  70           HA       ASP  70   2.411   7.737  -5.626
  569   1HB   ASP  70          2HB       ASP  70   1.981   8.358  -8.555
  570   2HB   ASP  70          1HB       ASP  70   2.034   9.602  -7.310
  571    H    PHE  71           H        PHE  71   0.740   8.674  -4.526
  572    HA   PHE  71           HA       PHE  71  -1.910   8.647  -5.751
  573   1HB   PHE  71          2HB       PHE  71  -2.952   7.457  -3.968
  574   2HB   PHE  71          1HB       PHE  71  -1.565   6.500  -4.486
  575    HD1  PHE  71           1HD      PHE  71  -3.017   8.486  -1.794
  576    HD2  PHE  71           2HD      PHE  71   0.401   6.293  -3.068
  577    HE1  PHE  71           1HE      PHE  71  -2.186   8.447   0.520
  578    HE2  PHE  71           2HE      PHE  71   1.238   6.247  -0.754
  579    HZ   PHE  71           HZ       PHE  71  -0.056   7.323   1.044
  580    H    THR  72           H        THR  72  -3.386  10.079  -4.902
  581    HA   THR  72           HA       THR  72  -2.593  11.832  -2.712
  582    HB   THR  72           HB       THR  72  -2.875  13.864  -3.902
  583    HG1  THR  72           1HG      THR  72  -3.907  14.009  -5.791
  584   1HG2  THR  72          1HG2      THR  72  -0.743  12.451  -4.351
  585   2HG2  THR  72          2HG2      THR  72  -1.054  13.874  -5.346
  586   3HG2  THR  72          3HG2      THR  72  -1.413  12.264  -5.972
  587    H    THR  73           H        THR  73  -4.432  13.236  -2.029
  588    HA   THR  73           HA       THR  73  -6.880  11.699  -2.101
  589    HB   THR  73           HB       THR  73  -6.269  12.606   0.033
  590    HG1  THR  73           1HG      THR  73  -8.291  14.410  -0.479
  591   1HG2  THR  73          1HG2      THR  73  -5.199  14.548   0.208
  592   2HG2  THR  73          2HG2      THR  73  -6.662  15.397  -0.293
  593   3HG2  THR  73          3HG2      THR  73  -5.488  14.876  -1.501
  594    H    THR  74           H        THR  74  -5.665  14.699  -3.440
  595    HA   THR  74           HA       THR  74  -7.817  14.802  -5.328
  596    HB   THR  74           HB       THR  74  -9.152  15.883  -3.772
  597    HG1  THR  74           1HG      THR  74  -9.260  17.984  -4.497
  598   1HG2  THR  74          1HG2      THR  74  -8.027  17.859  -2.407
  599   2HG2  THR  74          2HG2      THR  74  -6.576  16.892  -2.679
  600   3HG2  THR  74          3HG2      THR  74  -7.961  16.188  -1.844
  601    H    SER  75           H        SER  75  -4.736  15.522  -4.307
  602    HA   SER  75           HA       SER  75  -4.026  17.867  -5.593
  603   1HB   SER  75          2HB       SER  75  -2.429  16.801  -4.171
  604   2HB   SER  75          1HB       SER  75  -2.452  15.329  -5.141
  605    HG   SER  75           HG       SER  75  -1.418  17.865  -5.872
  606    H    THR  76           H        THR  76  -3.110  14.719  -6.962
  607    HA   THR  76           HA       THR  76  -4.390  15.137  -9.461
  608    HB   THR  76           HB       THR  76  -2.523  16.830  -9.588
  609    HG1  THR  76           1HG      THR  76  -3.392  15.115 -11.391
  610   1HG2  THR  76          1HG2      THR  76  -0.700  15.821  -8.514
  611   2HG2  THR  76          2HG2      THR  76  -0.279  15.756 -10.225
  612   3HG2  THR  76          3HG2      THR  76  -0.888  14.315  -9.413
  613    H    SER  77           H        SER  77  -2.921  13.667 -11.172
  614    HA   SER  77           HA       SER  77  -2.454  11.528 -11.771
  615   1HB   SER  77          2HB       SER  77  -1.072  11.833  -9.145
  616   2HB   SER  77          1HB       SER  77  -1.187  10.213  -9.833
  617    HG   SER  77           HG       SER  77   0.546  12.068 -10.454
  618    H    THR  78           H        THR  78  -2.316   9.487  -9.348
  619    HA   THR  78           HA       THR  78  -3.689   7.868  -8.534
  620    HB   THR  78           HB       THR  78  -6.073   9.602  -8.359
  621    HG1  THR  78           1HG      THR  78  -3.553  10.352  -7.342
  622   1HG2  THR  78          1HG2      THR  78  -4.552   7.700  -6.630
  623   2HG2  THR  78          2HG2      THR  78  -6.263   7.705  -7.062
  624   3HG2  THR  78          3HG2      THR  78  -5.649   8.860  -5.879
  625    HA   PRO  79           HA       PRO  79  -6.109   7.502 -12.498
  626   1HB   PRO  79          2HB       PRO  79  -4.409   6.212 -14.090
  627   2HB   PRO  79          1HB       PRO  79  -4.266   7.956 -13.841
  628   1HG   PRO  79          2HG       PRO  79  -2.640   5.739 -12.696
  629   2HG   PRO  79          1HG       PRO  79  -2.136   7.364 -13.190
  630   1HD   PRO  79          2HD       PRO  79  -2.712   6.516 -10.568
  631   2HD   PRO  79          1HD       PRO  79  -2.517   8.192 -11.114
  632    H    GLY  80           H        GLY  80  -6.300   5.294 -13.880
  633   1HA   GLY  80          2HA       GLY  80  -6.782   3.219 -11.858
  634   2HA   GLY  80          1HA       GLY  80  -7.551   3.316 -13.436
  635    H    SER  81           H        SER  81  -4.131   3.794 -13.151
  636    HA   SER  81           HA       SER  81  -3.703   1.230 -14.524
  637   1HB   SER  81          2HB       SER  81  -3.031   3.348 -15.704
  638   2HB   SER  81          1HB       SER  81  -1.835   3.609 -14.435
  639    HG   SER  81           HG       SER  81  -0.662   2.491 -15.812
  640    H    ARG  82           H        ARG  82  -3.824   1.976 -11.535
  641    HA   ARG  82           HA       ARG  82  -1.152   1.205 -10.666
  642   1HB   ARG  82          2HB       ARG  82  -2.857   2.959  -9.591
  643   2HB   ARG  82          1HB       ARG  82  -3.387   1.522  -8.729
  644   1HG   ARG  82          2HG       ARG  82  -0.915   1.190  -8.147
  645   2HG   ARG  82          1HG       ARG  82  -0.710   2.864  -8.668
  646   1HD   ARG  82          2HD       ARG  82  -1.084   2.555  -6.208
  647   2HD   ARG  82          1HD       ARG  82  -2.213   3.652  -7.003
  648    HE   ARG  82           HE       ARG  82  -2.916   0.850  -6.421
  649   1HH1  ARG  82          1HH1      ARG  82  -3.599   4.265  -6.288
  650   2HH1  ARG  82          2HH1      ARG  82  -5.189   4.052  -5.635
  651   1HH2  ARG  82          1HH2      ARG  82  -5.008   0.561  -5.560
  652   2HH2  ARG  82          2HH2      ARG  82  -5.990   1.947  -5.221
  653    H    SER  83           H        SER  83  -2.350  -0.792 -12.123
  654    HA   SER  83           HA       SER  83  -2.910  -2.998 -12.098
  655   1HB   SER  83          2HB       SER  83  -1.830  -3.065  -9.279
  656   2HB   SER  83          1HB       SER  83  -1.821  -4.356 -10.480
  657    HG   SER  83           HG       SER  83  -0.563  -2.156 -11.414
  658    H    HIS  84           H        HIS  84  -5.122  -1.757 -11.841
  659    HA   HIS  84           HA       HIS  84  -6.597  -1.858  -9.488
  660   1HB   HIS  84          2HB       HIS  84  -7.127  -0.861 -11.873
  661   2HB   HIS  84          1HB       HIS  84  -7.948  -2.401 -12.099
  662    HD2  HIS  84           2HD      HIS  84  -8.042   0.152  -9.073
  663    HE1  HIS  84           1HE      HIS  84 -11.968  -0.910 -10.246
  664    HE2  HIS  84           2HE      HIS  84 -10.578   0.576  -8.733
  665    H    HIS  85           H        HIS  85  -7.957  -3.346  -8.555
  666    HA   HIS  85           HA       HIS  85  -8.052  -6.037  -9.719
  667   1HB   HIS  85          2HB       HIS  85  -7.786  -6.855  -7.261
  668   2HB   HIS  85          1HB       HIS  85  -6.349  -6.405  -8.172
  669    HD2  HIS  85           2HD      HIS  85  -4.987  -5.740  -5.842
  670    HE1  HIS  85           1HE      HIS  85  -7.459  -2.428  -4.928
  671    HE2  HIS  85           2HE      HIS  85  -5.226  -3.542  -4.484
  672    H    HIS  86           H        HIS  86  -9.801  -7.358  -8.904
  673    HA   HIS  86           HA       HIS  86 -11.860  -5.986  -7.361
  674   1HB   HIS  86          2HB       HIS  86 -11.963  -6.169 -10.192
  675   2HB   HIS  86          1HB       HIS  86 -13.170  -7.281  -9.554
  676    HD2  HIS  86           2HD      HIS  86 -12.364  -3.750  -8.019
  677    HE1  HIS  86           1HE      HIS  86 -16.366  -3.857  -9.393
  678    HE2  HIS  86           2HE      HIS  86 -14.576  -2.425  -8.309
  679    H    HIS  87           H        HIS  87 -13.214  -7.343  -6.241
  680    HA   HIS  87           HA       HIS  87 -13.826  -9.231  -5.131
  681   1HB   HIS  87          2HB       HIS  87 -13.493 -10.235  -7.944
  682   2HB   HIS  87          1HB       HIS  87 -13.945 -11.333  -6.645
  683    HD2  HIS  87           2HD      HIS  87 -16.557 -11.746  -7.127
  684    HE1  HIS  87           1HE      HIS  87 -17.669  -7.677  -7.471
  685    HE2  HIS  87           2HE      HIS  87 -18.520 -10.055  -7.245
  686    H    HIS  88           H        HIS  88 -12.984 -11.902  -5.392
  687    HA   HIS  88           HA       HIS  88 -10.458 -11.747  -4.035
  688   1HB   HIS  88          2HB       HIS  88 -11.933 -14.239  -4.900
  689   2HB   HIS  88          1HB       HIS  88 -10.721 -14.102  -3.630
  690    HD2  HIS  88           2HD      HIS  88 -11.883 -11.779  -1.806
  691    HE1  HIS  88           1HE      HIS  88 -15.502 -13.971  -1.896
  692    HE2  HIS  88           2HE      HIS  88 -14.265 -12.042  -0.813
  693    H    HIS  89           H        HIS  89 -11.602 -12.890  -7.166
  694    HA   HIS  89           HA       HIS  89  -8.801 -13.345  -7.960
  695   1HB   HIS  89          2HB       HIS  89 -11.021 -15.050  -8.176
  696   2HB   HIS  89          1HB       HIS  89 -10.725 -14.460  -9.808
  697    HD2  HIS  89           2HD      HIS  89  -8.409 -15.977  -6.976
  698    HE1  HIS  89           1HE      HIS  89  -7.295 -17.480 -10.772
  699    HE2  HIS  89           2HE      HIS  89  -6.704 -17.408  -8.307
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  -8.161 -30.634  12.234
    2   2H    MET   1          2HT       MET   1  -7.019 -31.477  11.314
    3   3H    MET   1          3HT       MET   1  -8.281 -30.653  10.546
    4    HA   MET   1           HA       MET   1  -6.060 -29.430  12.081
    5   1HB   MET   1          2HB       MET   1  -6.403 -30.222   9.333
    6   2HB   MET   1          1HB       MET   1  -6.217 -28.477   9.429
    7   1HG   MET   1          2HG       MET   1  -4.075 -29.530   9.104
    8   2HG   MET   1          1HG       MET   1  -4.144 -28.770  10.694
    9   1HE   MET   1          1HE       MET   1  -2.833 -31.232  12.882
   10   2HE   MET   1          2HE       MET   1  -4.479 -30.653  13.145
   11   3HE   MET   1          3HE       MET   1  -3.267 -29.577  12.451
   12    H    ARG   2           H        ARG   2  -6.802 -27.725  13.173
   13    HA   ARG   2           HA       ARG   2  -8.209 -25.626  11.829
   14   1HB   ARG   2          2HB       ARG   2 -10.119 -25.649  13.529
   15   2HB   ARG   2          1HB       ARG   2 -10.183 -26.841  12.237
   16   1HG   ARG   2          2HG       ARG   2  -8.815 -28.156  14.227
   17   2HG   ARG   2          1HG       ARG   2 -10.011 -27.210  15.115
   18   1HD   ARG   2          2HD       ARG   2 -10.817 -29.464  14.487
   19   2HD   ARG   2          1HD       ARG   2 -11.801 -28.162  13.819
   20    HE   ARG   2           HE       ARG   2 -10.009 -28.717  11.847
   21   1HH1  ARG   2          1HH1      ARG   2 -12.296 -30.611  13.673
   22   2HH1  ARG   2          2HH1      ARG   2 -12.570 -31.747  12.395
   23   1HH2  ARG   2          1HH2      ARG   2 -10.364 -30.209  10.160
   24   2HH2  ARG   2          2HH2      ARG   2 -11.472 -31.520  10.399
   25    H    GLY   3           H        GLY   3  -9.078 -24.064  13.794
   26   1HA   GLY   3          2HA       GLY   3  -8.517 -23.066  15.876
   27   2HA   GLY   3          1HA       GLY   3  -7.015 -23.976  15.878
   28    H    SER   4           H        SER   4  -6.616 -23.185  12.992
   29    HA   SER   4           HA       SER   4  -5.286 -21.677  11.923
   30   1HB   SER   4          2HB       SER   4  -6.206 -19.459  11.723
   31   2HB   SER   4          1HB       SER   4  -7.547 -20.600  11.813
   32    HG   SER   4           HG       SER   4  -6.785 -18.620  13.573
   33    H    ASN   5           H        ASN   5  -4.243 -22.497  14.412
   34    HA   ASN   5           HA       ASN   5  -3.179 -20.109  15.687
   35   1HB   ASN   5          2HB       ASN   5  -3.799 -22.639  16.624
   36   2HB   ASN   5          1HB       ASN   5  -2.040 -22.663  16.541
   37   1HD2  ASN   5          1HD2      ASN   5  -4.788 -21.501  18.192
   38   2HD2  ASN   5          2HD2      ASN   5  -3.961 -20.592  19.407
   39    H    ALA   6           H        ALA   6  -2.287 -19.832  13.300
   40    HA   ALA   6           HA       ALA   6  -0.471 -19.638  11.946
   41   1HB   ALA   6          1HB       ALA   6   1.753 -19.643  13.094
   42   2HB   ALA   6          2HB       ALA   6   0.920 -20.110  14.576
   43   3HB   ALA   6          3HB       ALA   6   0.557 -18.564  13.808
   44    HA   PRO   7           HA       PRO   7   0.217 -24.235  11.704
   45   1HB   PRO   7          2HB       PRO   7  -1.651 -24.944   9.914
   46   2HB   PRO   7          1HB       PRO   7  -2.026 -24.768  11.631
   47   1HG   PRO   7          2HG       PRO   7  -2.682 -22.978   9.359
   48   2HG   PRO   7          1HG       PRO   7  -3.571 -23.259  10.863
   49   1HD   PRO   7          2HD       PRO   7  -1.851 -21.089  10.282
   50   2HD   PRO   7          1HD       PRO   7  -2.561 -21.493  11.855
   51    H    GLN   8           H        GLN   8  -0.997 -22.560   8.788
   52    HA   GLN   8           HA       GLN   8   1.619 -22.791   7.542
   53   1HB   GLN   8          2HB       GLN   8   0.022 -24.861   7.091
   54   2HB   GLN   8          1HB       GLN   8  -0.676 -23.766   5.906
   55   1HG   GLN   8          2HG       GLN   8   1.379 -23.576   4.741
   56   2HG   GLN   8          1HG       GLN   8   2.259 -24.394   6.033
   57   1HE2  GLN   8          1HE2      GLN   8   2.973 -25.685   4.143
   58   2HE2  GLN   8          2HE2      GLN   8   2.015 -27.049   3.689
   59    HA   PRO   9           HA       PRO   9   0.030 -18.684   6.531
   60   1HB   PRO   9          2HB       PRO   9   2.651 -18.568   5.143
   61   2HB   PRO   9          1HB       PRO   9   1.943 -17.445   6.309
   62   1HG   PRO   9          2HG       PRO   9   3.925 -19.077   7.023
   63   2HG   PRO   9          1HG       PRO   9   2.584 -18.730   8.133
   64   1HD   PRO   9          2HD       PRO   9   3.076 -21.157   6.451
   65   2HD   PRO   9          1HD       PRO   9   2.457 -21.044   8.113
   66    H    SER  10           H        SER  10  -0.735 -17.690   4.679
   67    HA   SER  10           HA       SER  10  -0.594 -19.309   2.221
   68   1HB   SER  10          2HB       SER  10  -2.850 -19.002   3.493
   69   2HB   SER  10          1HB       SER  10  -2.830 -17.384   2.792
   70    HG   SER  10           HG       SER  10  -3.055 -19.876   1.528
   71    H    HIS  11           H        HIS  11  -0.304 -18.280   0.254
   72    HA   HIS  11           HA       HIS  11   0.560 -16.750  -1.179
   73   1HB   HIS  11          2HB       HIS  11  -0.938 -14.841   0.628
   74   2HB   HIS  11          1HB       HIS  11  -0.276 -14.418  -0.952
   75    HD2  HIS  11           2HD      HIS  11  -3.466 -14.197  -0.503
   76    HE1  HIS  11           1HE      HIS  11  -3.602 -17.763  -2.780
   77    HE2  HIS  11           2HE      HIS  11  -4.903 -15.715  -2.040
   78    H    ILE  12           H        ILE  12   0.855 -13.974   0.712
   79    HA   ILE  12           HA       ILE  12   3.733 -14.433   0.959
   80    HB   ILE  12           HB       ILE  12   3.059 -12.419  -0.254
   81   1HG1  ILE  12          2HG1      ILE  12   4.083 -10.880   1.882
   82   2HG1  ILE  12          1HG1      ILE  12   4.773 -12.491   2.059
   83   1HG2  ILE  12          1HG2      ILE  12   1.071 -12.234   1.684
   84   2HG2  ILE  12          2HG2      ILE  12   1.408 -11.077   0.397
   85   3HG2  ILE  12          3HG2      ILE  12   2.130 -10.857   1.991
   86   1HD1  ILE  12          1HD1      ILE  12   5.771 -10.517   0.480
   87   2HD1  ILE  12          2HD1      ILE  12   4.839 -11.470  -0.674
   88   3HD1  ILE  12          3HD1      ILE  12   6.102 -12.238   0.287
   89    H    SER  13           H        SER  13   4.843 -14.210   2.870
   90    HA   SER  13           HA       SER  13   3.535 -14.889   5.257
   91   1HB   SER  13          2HB       SER  13   6.214 -14.549   4.395
   92   2HB   SER  13          1HB       SER  13   6.008 -13.541   5.829
   93    HG   SER  13           HG       SER  13   5.264 -15.371   6.938
   94    H    LYS  14           H        LYS  14   4.812 -11.792   4.091
   95    HA   LYS  14           HA       LYS  14   2.789 -10.317   5.453
   96   1HB   LYS  14          2HB       LYS  14   4.583  -8.969   6.775
   97   2HB   LYS  14          1HB       LYS  14   3.970 -10.476   7.441
   98   1HG   LYS  14          2HG       LYS  14   6.074 -11.135   7.649
   99   2HG   LYS  14          1HG       LYS  14   6.152 -11.228   5.889
  100   1HD   LYS  14          2HD       LYS  14   7.278  -9.251   5.699
  101   2HD   LYS  14          1HD       LYS  14   6.544  -8.569   7.151
  102   1HE   LYS  14          2HE       LYS  14   9.089  -9.326   7.069
  103   2HE   LYS  14          1HE       LYS  14   8.113  -9.463   8.531
  104   1HZ   LYS  14          1HZ       LYS  14   9.462 -11.479   7.822
  105   2HZ   LYS  14          2HZ       LYS  14   8.317 -11.688   6.594
  106   3HZ   LYS  14          3HZ       LYS  14   7.838 -11.743   8.215
  107    H    TYR  15           H        TYR  15   2.614  -8.236   4.717
  108    HA   TYR  15           HA       TYR  15   4.487  -7.460   2.576
  109   1HB   TYR  15          2HB       TYR  15   1.690  -7.749   2.553
  110   2HB   TYR  15          1HB       TYR  15   1.975  -6.014   2.577
  111    HD1  TYR  15           1HD      TYR  15   3.880  -5.243   0.849
  112    HD2  TYR  15           2HD      TYR  15   1.519  -8.764   0.501
  113    HE1  TYR  15           1HE      TYR  15   4.288  -5.270  -1.576
  114    HE2  TYR  15           2HE      TYR  15   1.923  -8.803  -1.923
  115    HH   TYR  15           HH       TYR  15   4.006  -7.733  -3.461
  116    H    ILE  16           H        ILE  16   5.493  -5.482   2.715
  117    HA   ILE  16           HA       ILE  16   4.722  -3.796   5.006
  118    HB   ILE  16           HB       ILE  16   7.448  -4.195   3.781
  119   1HG1  ILE  16          2HG1      ILE  16   7.940  -4.493   6.315
  120   2HG1  ILE  16          1HG1      ILE  16   6.198  -4.693   6.472
  121   1HG2  ILE  16          1HG2      ILE  16   6.355  -1.775   4.796
  122   2HG2  ILE  16          2HG2      ILE  16   8.022  -2.104   4.315
  123   3HG2  ILE  16          3HG2      ILE  16   7.516  -2.376   5.982
  124   1HD1  ILE  16          1HD1      ILE  16   6.210  -6.632   5.123
  125   2HD1  ILE  16          2HD1      ILE  16   7.532  -6.805   6.279
  126   3HD1  ILE  16          3HD1      ILE  16   7.874  -6.346   4.611
  127    H    LEU  17           H        LEU  17   4.194  -1.758   4.655
  128    HA   LEU  17           HA       LEU  17   4.494  -0.726   1.923
  129   1HB   LEU  17          2HB       LEU  17   2.188  -1.231   3.162
  130   2HB   LEU  17          1HB       LEU  17   2.469   0.378   3.786
  131    HG   LEU  17           HG       LEU  17   2.078  -0.456   0.915
  132   1HD1  LEU  17          1HD1      LEU  17   0.657   1.715   2.415
  133   2HD1  LEU  17          2HD1      LEU  17   0.141   0.032   2.522
  134   3HD1  LEU  17          3HD1      LEU  17   0.151   0.853   0.961
  135   1HD2  LEU  17          1HD2      LEU  17   2.359   2.064   0.495
  136   2HD2  LEU  17          2HD2      LEU  17   3.803   1.063   0.662
  137   3HD2  LEU  17          3HD2      LEU  17   3.261   2.062   2.011
  138    H    ARG  18           H        ARG  18   6.020   0.770   1.826
  139    HA   ARG  18           HA       ARG  18   6.331   2.569   4.127
  140   1HB   ARG  18          2HB       ARG  18   8.446   1.890   2.083
  141   2HB   ARG  18          1HB       ARG  18   8.661   2.821   3.560
  142   1HG   ARG  18          2HG       ARG  18   8.845   0.989   4.840
  143   2HG   ARG  18          1HG       ARG  18   7.598   0.114   3.952
  144   1HD   ARG  18          2HD       ARG  18   9.124  -0.981   2.763
  145   2HD   ARG  18          1HD       ARG  18   9.914   0.525   2.297
  146    HE   ARG  18           HE       ARG  18  10.676  -1.258   4.446
  147   1HH1  ARG  18          1HH1      ARG  18  11.008   1.902   3.017
  148   2HH1  ARG  18          2HH1      ARG  18  12.522   2.233   3.791
  149   1HH2  ARG  18          1HH2      ARG  18  12.668  -0.830   5.468
  150   2HH2  ARG  18          2HH2      ARG  18  13.466   0.681   5.183
  151    H    TRP  19           H        TRP  19   5.934   4.664   3.786
  152    HA   TRP  19           HA       TRP  19   6.211   5.734   1.087
  153   1HB   TRP  19          2HB       TRP  19   4.006   6.624   0.957
  154   2HB   TRP  19          1HB       TRP  19   3.849   4.921   1.370
  155    HD1  TRP  19           HD       TRP  19   3.067   8.387   2.656
  156    HE1  TRP  19           1HE      TRP  19   1.699   8.197   4.828
  157    HE3  TRP  19           3HE      TRP  19   3.562   3.369   3.495
  158    HZ2  TRP  19           2HZ      TRP  19   0.930   6.187   6.654
  159    HZ3  TRP  19           3HZ      TRP  19   2.478   2.390   5.474
  160    HH2  TRP  19           HH       TRP  19   1.190   3.772   7.021
  161    H    ARG  20           H        ARG  20   6.035   8.057   0.977
  162    HA   ARG  20           HA       ARG  20   6.227   9.618   3.383
  163   1HB   ARG  20          2HB       ARG  20   8.464   9.524   3.567
  164   2HB   ARG  20          1HB       ARG  20   8.606   8.628   2.065
  165   1HG   ARG  20          2HG       ARG  20   8.119  11.528   1.809
  166   2HG   ARG  20          1HG       ARG  20   9.687  11.043   2.456
  167   1HD   ARG  20          2HD       ARG  20   8.910   9.450   0.159
  168   2HD   ARG  20          1HD       ARG  20   8.965  11.172  -0.217
  169    HE   ARG  20           HE       ARG  20  11.219   9.552   0.756
  170   1HH1  ARG  20          1HH1      ARG  20   9.962  12.456  -0.698
  171   2HH1  ARG  20          2HH1      ARG  20  11.520  13.060  -1.151
  172   1HH2  ARG  20          1HH2      ARG  20  13.280  10.341   0.165
  173   2HH2  ARG  20          2HH2      ARG  20  13.406  11.859  -0.661
  174    HA   PRO  21           HA       PRO  21   4.372  12.643   0.767
  175   1HB   PRO  21          2HB       PRO  21   6.201  14.634   2.020
  176   2HB   PRO  21          1HB       PRO  21   4.437  14.647   1.893
  177   1HG   PRO  21          2HG       PRO  21   5.575  14.069   4.209
  178   2HG   PRO  21          1HG       PRO  21   4.172  13.137   3.647
  179   1HD   PRO  21          2HD       PRO  21   7.078  12.395   3.589
  180   2HD   PRO  21          1HD       PRO  21   5.671  11.403   4.032
  181    H    LYS  22           H        LYS  22   4.739  12.954  -1.306
  182    HA   LYS  22           HA       LYS  22   7.382  12.959  -2.412
  183   1HB   LYS  22          2HB       LYS  22   5.293  11.947  -3.451
  184   2HB   LYS  22          1HB       LYS  22   4.812  13.588  -3.859
  185   1HG   LYS  22          2HG       LYS  22   7.065  13.771  -5.041
  186   2HG   LYS  22          1HG       LYS  22   7.146  12.014  -4.888
  187   1HD   LYS  22          2HD       LYS  22   5.150  11.739  -6.171
  188   2HD   LYS  22          1HD       LYS  22   4.827  13.474  -6.145
  189   1HE   LYS  22          2HE       LYS  22   5.775  12.604  -8.295
  190   2HE   LYS  22          1HE       LYS  22   6.684  13.924  -7.558
  191   1HZ   LYS  22          1HZ       LYS  22   7.560  11.315  -6.723
  192   2HZ   LYS  22          2HZ       LYS  22   8.464  12.630  -7.282
  193   3HZ   LYS  22          3HZ       LYS  22   7.735  11.577  -8.386
  194    H    ASN  23           H        ASN  23   4.847  15.358  -1.902
  195    HA   ASN  23           HA       ASN  23   6.353  17.440  -3.231
  196   1HB   ASN  23          2HB       ASN  23   3.853  17.328  -3.295
  197   2HB   ASN  23          1HB       ASN  23   3.836  17.692  -1.573
  198   1HD2  ASN  23          1HD2      ASN  23   4.050  19.749  -0.908
  199   2HD2  ASN  23          2HD2      ASN  23   4.253  21.101  -1.965
  200    H    SER  24           H        SER  24   5.526  16.505   0.066
  201    HA   SER  24           HA       SER  24   7.143  18.706   1.118
  202   1HB   SER  24          2HB       SER  24   4.796  17.333   2.023
  203   2HB   SER  24          1HB       SER  24   6.070  17.141   3.228
  204    HG   SER  24           HG       SER  24   5.813  19.153   3.748
  205    H    VAL  25           H        VAL  25   8.965  18.385   2.364
  206    HA   VAL  25           HA       VAL  25  10.276  15.819   2.003
  207    HB   VAL  25           HB       VAL  25  11.585  17.802   1.539
  208   1HG1  VAL  25          1HG1      VAL  25  12.240  19.080   3.808
  209   2HG1  VAL  25          2HG1      VAL  25  10.573  18.645   4.179
  210   3HG1  VAL  25          3HG1      VAL  25  10.936  19.600   2.741
  211   1HG2  VAL  25          1HG2      VAL  25  12.992  17.114   3.986
  212   2HG2  VAL  25          2HG2      VAL  25  13.449  16.844   2.304
  213   3HG2  VAL  25          3HG2      VAL  25  12.395  15.694   3.127
  214    H    GLY  26           H        GLY  26  10.611  14.327   3.547
  215   1HA   GLY  26          2HA       GLY  26  10.719  14.895   6.327
  216   2HA   GLY  26          1HA       GLY  26   9.135  14.268   5.898
  217    H    ARG  27           H        ARG  27   9.252  12.315   6.915
  218    HA   ARG  27           HA       ARG  27  11.398  10.499   6.029
  219   1HB   ARG  27          2HB       ARG  27  10.048   9.463   8.323
  220   2HB   ARG  27          1HB       ARG  27  11.732   9.938   8.161
  221   1HG   ARG  27          2HG       ARG  27  11.137  12.240   8.736
  222   2HG   ARG  27          1HG       ARG  27   9.449  11.754   8.907
  223   1HD   ARG  27          2HD       ARG  27   9.815  11.093  10.994
  224   2HD   ARG  27          1HD       ARG  27  11.093  10.005  10.454
  225    HE   ARG  27           HE       ARG  27  12.465  12.221  10.513
  226   1HH1  ARG  27          1HH1      ARG  27  10.016  11.189  12.768
  227   2HH1  ARG  27          2HH1      ARG  27  10.708  12.040  14.108
  228   1HH2  ARG  27          1HH2      ARG  27  13.381  13.348  12.271
  229   2HH2  ARG  27          2HH2      ARG  27  12.620  13.270  13.825
  230    H    TRP  28           H        TRP  28  10.610   8.100   6.336
  231    HA   TRP  28           HA       TRP  28   8.256   7.848   4.650
  232   1HB   TRP  28          2HB       TRP  28  10.387   5.900   5.524
  233   2HB   TRP  28          1HB       TRP  28   8.962   5.398   4.619
  234    HD1  TRP  28           HD       TRP  28  11.747   8.085   4.171
  235    HE1  TRP  28           1HE      TRP  28  12.399   8.126   1.682
  236    HE3  TRP  28           3HE      TRP  28   8.483   4.564   2.417
  237    HZ2  TRP  28           2HZ      TRP  28  11.632   6.835  -0.710
  238    HZ3  TRP  28           3HZ      TRP  28   8.505   4.024   0.017
  239    HH2  TRP  28           HH       TRP  28  10.048   5.138  -1.513
  240    H    LYS  29           H        LYS  29   7.328   5.335   5.329
  241    HA   LYS  29           HA       LYS  29   6.648   5.316   8.148
  242   1HB   LYS  29          2HB       LYS  29   4.736   6.123   6.004
  243   2HB   LYS  29          1HB       LYS  29   4.132   5.092   7.294
  244   1HG   LYS  29          2HG       LYS  29   5.579   7.136   8.555
  245   2HG   LYS  29          1HG       LYS  29   4.613   7.913   7.299
  246   1HD   LYS  29          2HD       LYS  29   2.611   6.752   8.165
  247   2HD   LYS  29          1HD       LYS  29   3.596   6.068   9.459
  248   1HE   LYS  29          2HE       LYS  29   2.311   8.072  10.152
  249   2HE   LYS  29          1HE       LYS  29   4.055   8.256  10.341
  250   1HZ   LYS  29          1HZ       LYS  29   2.521  10.067   9.164
  251   2HZ   LYS  29          2HZ       LYS  29   2.935   9.145   7.808
  252   3HZ   LYS  29          3HZ       LYS  29   4.148   9.840   8.761
  253    H    GLU  30           H        GLU  30   5.568   3.305   8.763
  254    HA   GLU  30           HA       GLU  30   5.888   1.223   6.702
  255   1HB   GLU  30          2HB       GLU  30   6.523   1.055   9.648
  256   2HB   GLU  30          1HB       GLU  30   6.520  -0.324   8.556
  257   1HG   GLU  30          2HG       GLU  30   8.463   0.274   7.564
  258   2HG   GLU  30          1HG       GLU  30   8.164   2.000   7.766
  259    H    ALA  31           H        ALA  31   4.240  -0.070   6.322
  260    HA   ALA  31           HA       ALA  31   2.145  -0.437   8.330
  261   1HB   ALA  31          1HB       ALA  31   1.378   1.415   6.922
  262   2HB   ALA  31          2HB       ALA  31   0.376  -0.019   6.696
  263   3HB   ALA  31          3HB       ALA  31   1.585   0.412   5.486
  264    H    THR  32           H        THR  32   2.153  -2.577   8.610
  265    HA   THR  32           HA       THR  32   2.838  -4.343   6.408
  266    HB   THR  32           HB       THR  32   2.293  -4.977   9.312
  267    HG1  THR  32           1HG      THR  32   4.708  -5.530   8.911
  268   1HG2  THR  32          1HG2      THR  32   1.744  -6.848   7.749
  269   2HG2  THR  32          2HG2      THR  32   3.079  -7.211   8.845
  270   3HG2  THR  32          3HG2      THR  32   3.409  -6.791   7.165
  271    H    ILE  33           H        ILE  33   1.540  -5.840   5.482
  272    HA   ILE  33           HA       ILE  33  -1.233  -6.062   6.389
  273    HB   ILE  33           HB       ILE  33  -0.718  -5.891   3.449
  274   1HG1  ILE  33          2HG1      ILE  33  -1.686  -3.369   4.353
  275   2HG1  ILE  33          1HG1      ILE  33  -0.218  -3.733   5.255
  276   1HG2  ILE  33          1HG2      ILE  33  -3.002  -5.421   3.296
  277   2HG2  ILE  33          2HG2      ILE  33  -3.108  -4.940   4.989
  278   3HG2  ILE  33          3HG2      ILE  33  -2.891  -6.638   4.567
  279   1HD1  ILE  33          1HD1      ILE  33   0.624  -4.357   2.801
  280   2HD1  ILE  33          2HD1      ILE  33   0.733  -2.731   3.475
  281   3HD1  ILE  33          3HD1      ILE  33  -0.593  -3.149   2.390
  282    HA   PRO  34           HA       PRO  34   0.268 -10.297   5.793
  283   1HB   PRO  34          2HB       PRO  34  -1.930 -11.473   6.917
  284   2HB   PRO  34          1HB       PRO  34  -0.574 -10.838   7.854
  285   1HG   PRO  34          2HG       PRO  34  -3.220  -9.570   7.252
  286   2HG   PRO  34          1HG       PRO  34  -2.324  -9.615   8.783
  287   1HD   PRO  34          2HD       PRO  34  -2.304  -7.441   7.203
  288   2HD   PRO  34          1HD       PRO  34  -0.871  -7.934   8.126
  289    H    GLY  35           H        GLY  35   0.085 -10.261   3.514
  290   1HA   GLY  35          2HA       GLY  35  -0.754 -11.068   1.530
  291   2HA   GLY  35          1HA       GLY  35  -2.008 -11.872   2.464
  292    H    HIS  36           H        HIS  36  -4.015 -10.973   2.609
  293    HA   HIS  36           HA       HIS  36  -4.570  -8.266   1.915
  294   1HB   HIS  36          2HB       HIS  36  -4.149  -9.485  -0.327
  295   2HB   HIS  36          1HB       HIS  36  -5.699 -10.264  -0.029
  296    HD2  HIS  36           2HD      HIS  36  -6.580  -7.043   1.257
  297    HE1  HIS  36           1HE      HIS  36  -6.784  -6.479  -2.932
  298    HE2  HIS  36           2HE      HIS  36  -7.587  -5.641  -0.679
  299    H    LEU  37           H        LEU  37  -5.378  -8.865   4.127
  300    HA   LEU  37           HA       LEU  37  -7.675 -10.537   4.364
  301   1HB   LEU  37          2HB       LEU  37  -7.784  -9.815   6.630
  302   2HB   LEU  37          1HB       LEU  37  -6.091 -10.016   6.223
  303    HG   LEU  37           HG       LEU  37  -7.299  -7.296   5.988
  304   1HD1  LEU  37          1HD1      LEU  37  -7.905  -8.443   8.231
  305   2HD1  LEU  37          2HD1      LEU  37  -7.211  -6.822   8.246
  306   3HD1  LEU  37          3HD1      LEU  37  -6.196  -8.219   8.608
  307   1HD2  LEU  37          1HD2      LEU  37  -4.789  -7.248   7.205
  308   2HD2  LEU  37          2HD2      LEU  37  -5.168  -6.870   5.524
  309   3HD2  LEU  37          3HD2      LEU  37  -4.681  -8.504   5.973
  310    H    ASN  38           H        ASN  38  -7.148  -7.124   3.792
  311    HA   ASN  38           HA       ASN  38  -9.819  -6.786   2.843
  312   1HB   ASN  38          2HB       ASN  38 -10.757  -5.413   4.465
  313   2HB   ASN  38          1HB       ASN  38  -9.905  -6.604   5.443
  314   1HD2  ASN  38          1HD2      ASN  38  -7.385  -5.825   5.495
  315   2HD2  ASN  38          2HD2      ASN  38  -7.218  -4.240   6.160
  316    H    SER  39           H        SER  39 -10.181  -4.230   2.576
  317    HA   SER  39           HA       SER  39  -8.004  -3.387   0.896
  318   1HB   SER  39          2HB       SER  39 -10.578  -3.094   0.531
  319   2HB   SER  39          1HB       SER  39 -10.369  -1.652   1.524
  320    HG   SER  39           HG       SER  39  -9.566  -0.703  -0.156
  321    H    TYR  40           H        TYR  40  -6.253  -2.521   1.805
  322    HA   TYR  40           HA       TYR  40  -6.467  -0.914   4.219
  323   1HB   TYR  40          2HB       TYR  40  -4.597  -2.675   3.516
  324   2HB   TYR  40          1HB       TYR  40  -3.879  -1.249   2.774
  325    HD1  TYR  40           1HD      TYR  40  -3.571   0.819   4.296
  326    HD2  TYR  40           2HD      TYR  40  -4.244  -3.113   5.775
  327    HE1  TYR  40           1HE      TYR  40  -2.626   1.480   6.468
  328    HE2  TYR  40           2HE      TYR  40  -3.302  -2.461   7.952
  329    HH   TYR  40           HH       TYR  40  -3.069   0.292   9.108
  330    H    THR  41           H        THR  41  -7.035   1.152   3.984
  331    HA   THR  41           HA       THR  41  -5.916   2.658   1.709
  332    HB   THR  41           HB       THR  41  -8.377   3.503   3.217
  333    HG1  THR  41           1HG      THR  41  -8.930   2.354   0.831
  334   1HG2  THR  41          1HG2      THR  41  -7.618   5.257   1.881
  335   2HG2  THR  41          2HG2      THR  41  -8.820   4.469   0.860
  336   3HG2  THR  41          3HG2      THR  41  -7.104   4.176   0.586
  337    H    ILE  42           H        ILE  42  -5.040   4.680   2.058
  338    HA   ILE  42           HA       ILE  42  -4.421   5.303   4.866
  339    HB   ILE  42           HB       ILE  42  -2.983   6.291   2.400
  340   1HG1  ILE  42          2HG1      ILE  42  -2.773   3.847   2.618
  341   2HG1  ILE  42          1HG1      ILE  42  -1.241   4.655   2.933
  342   1HG2  ILE  42          1HG2      ILE  42  -1.205   6.871   4.022
  343   2HG2  ILE  42          2HG2      ILE  42  -2.291   6.406   5.332
  344   3HG2  ILE  42          3HG2      ILE  42  -2.704   7.764   4.284
  345   1HD1  ILE  42          1HD1      ILE  42  -3.114   3.728   5.094
  346   2HD1  ILE  42          2HD1      ILE  42  -1.460   4.309   5.278
  347   3HD1  ILE  42          3HD1      ILE  42  -1.769   2.773   4.471
  348    H    LYS  43           H        LYS  43  -5.282   7.055   5.764
  349    HA   LYS  43           HA       LYS  43  -6.356   9.154   3.996
  350   1HB   LYS  43          2HB       LYS  43  -8.059   7.755   5.234
  351   2HB   LYS  43          1HB       LYS  43  -7.424   8.433   6.726
  352   1HG   LYS  43          2HG       LYS  43  -9.250   9.774   6.288
  353   2HG   LYS  43          1HG       LYS  43  -7.912  10.715   5.627
  354   1HD   LYS  43          2HD       LYS  43  -9.277  10.844   3.825
  355   2HD   LYS  43          1HD       LYS  43  -8.563   9.272   3.457
  356   1HE   LYS  43          2HE       LYS  43 -11.034   9.305   3.260
  357   2HE   LYS  43          1HE       LYS  43 -10.439   8.133   4.435
  358   1HZ   LYS  43          1HZ       LYS  43 -12.397   9.831   4.956
  359   2HZ   LYS  43          2HZ       LYS  43 -11.090  10.779   5.458
  360   3HZ   LYS  43          3HZ       LYS  43 -11.345   9.257   6.151
  361    H    GLY  44           H        GLY  44  -6.273  11.323   4.773
  362   1HA   GLY  44          2HA       GLY  44  -5.586  12.738   6.737
  363   2HA   GLY  44          1HA       GLY  44  -4.141  11.738   6.775
  364    H    LEU  45           H        LEU  45  -5.262  12.349   3.635
  365    HA   LEU  45           HA       LEU  45  -3.120  14.318   3.258
  366   1HB   LEU  45          2HB       LEU  45  -4.410  13.034   0.917
  367   2HB   LEU  45          1HB       LEU  45  -2.734  13.468   1.182
  368    HG   LEU  45           HG       LEU  45  -4.161  11.051   2.282
  369   1HD1  LEU  45          1HD1      LEU  45  -3.167   9.843   0.673
  370   2HD1  LEU  45          2HD1      LEU  45  -1.699  10.821   0.702
  371   3HD1  LEU  45          3HD1      LEU  45  -3.119  11.390  -0.174
  372   1HD2  LEU  45          1HD2      LEU  45  -1.480  10.714   2.774
  373   2HD2  LEU  45          2HD2      LEU  45  -2.700  11.153   3.971
  374   3HD2  LEU  45          3HD2      LEU  45  -1.746  12.410   3.183
  375    H    LYS  46           H        LYS  46  -3.908  15.385   0.808
  376    HA   LYS  46           HA       LYS  46  -6.599  16.374   0.970
  377   1HB   LYS  46          2HB       LYS  46  -6.228  18.584   1.596
  378   2HB   LYS  46          1HB       LYS  46  -5.212  17.675   2.705
  379   1HG   LYS  46          2HG       LYS  46  -3.535  18.157   0.583
  380   2HG   LYS  46          1HG       LYS  46  -4.495  19.631   0.690
  381   1HD   LYS  46          2HD       LYS  46  -2.511  19.853   2.058
  382   2HD   LYS  46          1HD       LYS  46  -3.936  19.782   3.095
  383   1HE   LYS  46          2HE       LYS  46  -3.083  17.128   2.728
  384   2HE   LYS  46          1HE       LYS  46  -1.631  18.075   3.051
  385   1HZ   LYS  46          1HZ       LYS  46  -2.302  18.563   5.143
  386   2HZ   LYS  46          2HZ       LYS  46  -3.123  17.095   4.976
  387   3HZ   LYS  46          3HZ       LYS  46  -3.950  18.554   4.759
  388    HA   PRO  47           HA       PRO  47  -6.014  16.991  -3.352
  389   1HB   PRO  47          2HB       PRO  47  -7.481  19.261  -3.814
  390   2HB   PRO  47          1HB       PRO  47  -8.188  17.657  -3.597
  391   1HG   PRO  47          2HG       PRO  47  -7.895  19.884  -1.621
  392   2HG   PRO  47          1HG       PRO  47  -9.270  18.796  -1.889
  393   1HD   PRO  47          2HD       PRO  47  -7.554  18.435   0.151
  394   2HD   PRO  47          1HD       PRO  47  -8.296  17.066  -0.702
  395    H    GLY  48           H        GLY  48  -3.914  17.497  -3.739
  396   1HA   GLY  48          2HA       GLY  48  -2.826  19.494  -4.901
  397   2HA   GLY  48          1HA       GLY  48  -3.084  20.301  -3.359
  398    H    VAL  49           H        VAL  49  -2.540  17.457  -2.203
  399    HA   VAL  49           HA       VAL  49   0.398  17.705  -2.258
  400    HB   VAL  49           HB       VAL  49  -1.215  16.539   0.007
  401   1HG1  VAL  49          1HG1      VAL  49   1.656  17.092  -0.499
  402   2HG1  VAL  49          2HG1      VAL  49   0.892  15.753   0.360
  403   3HG1  VAL  49          3HG1      VAL  49   1.047  17.328   1.140
  404   1HG2  VAL  49          1HG2      VAL  49  -1.798  18.584   0.629
  405   2HG2  VAL  49          2HG2      VAL  49  -0.930  19.285  -0.737
  406   3HG2  VAL  49          3HG2      VAL  49  -0.090  18.995   0.786
  407    H    VAL  50           H        VAL  50   1.472  16.023  -3.055
  408    HA   VAL  50           HA       VAL  50   0.053  13.455  -3.289
  409    HB   VAL  50           HB       VAL  50   2.312  14.561  -4.964
  410   1HG1  VAL  50          1HG1      VAL  50   1.413  12.375  -6.297
  411   2HG1  VAL  50          2HG1      VAL  50   1.278  11.834  -4.624
  412   3HG1  VAL  50          3HG1      VAL  50   2.830  12.393  -5.248
  413   1HG2  VAL  50          1HG2      VAL  50   0.137  13.867  -6.561
  414   2HG2  VAL  50          2HG2      VAL  50   0.665  15.494  -6.132
  415   3HG2  VAL  50          3HG2      VAL  50  -0.564  14.682  -5.162
  416    H    TYR  51           H        TYR  51   0.871  11.674  -2.368
  417    HA   TYR  51           HA       TYR  51   3.452  11.939  -0.977
  418   1HB   TYR  51          2HB       TYR  51   1.077  10.169  -0.364
  419   2HB   TYR  51          1HB       TYR  51   2.608  10.117   0.504
  420    HD1  TYR  51           1HD      TYR  51   3.005  11.570   2.304
  421    HD2  TYR  51           2HD      TYR  51  -0.246  12.347  -0.327
  422    HE1  TYR  51           1HE      TYR  51   2.200  13.326   3.826
  423    HE2  TYR  51           2HE      TYR  51  -1.061  14.103   1.188
  424    HH   TYR  51           HH       TYR  51   0.568  14.775   4.268
  425    H    GLU  52           H        GLU  52   5.095  10.710  -1.611
  426    HA   GLU  52           HA       GLU  52   4.633   8.705  -3.670
  427   1HB   GLU  52          2HB       GLU  52   6.678   9.259  -4.402
  428   2HB   GLU  52          1HB       GLU  52   6.662  10.547  -3.210
  429   1HG   GLU  52          2HG       GLU  52   8.502   9.647  -2.379
  430   2HG   GLU  52          1HG       GLU  52   7.496   8.331  -1.779
  431    H    GLY  53           H        GLY  53   4.705   6.541  -3.342
  432   1HA   GLY  53          2HA       GLY  53   5.815   5.586  -0.794
  433   2HA   GLY  53          1HA       GLY  53   4.169   5.164  -1.223
  434    H    GLN  54           H        GLN  54   6.095   3.297  -0.661
  435    HA   GLN  54           HA       GLN  54   6.309   1.888  -3.216
  436   1HB   GLN  54          2HB       GLN  54   8.547   2.276  -3.074
  437   2HB   GLN  54          1HB       GLN  54   8.481   2.619  -1.353
  438   1HG   GLN  54          2HG       GLN  54   8.061   0.015  -1.211
  439   2HG   GLN  54          1HG       GLN  54   8.900   0.046  -2.763
  440   1HE2  GLN  54          1HE2      GLN  54   9.278   1.813   0.293
  441   2HE2  GLN  54          2HE2      GLN  54  10.956   1.452   0.494
  442    H    LEU  55           H        LEU  55   6.224  -0.443  -3.006
  443    HA   LEU  55           HA       LEU  55   5.255  -1.337  -0.369
  444   1HB   LEU  55          2HB       LEU  55   3.913  -1.382  -2.912
  445   2HB   LEU  55          1HB       LEU  55   4.140  -3.020  -2.332
  446    HG   LEU  55           HG       LEU  55   2.692  -0.782  -0.919
  447   1HD1  LEU  55          1HD1      LEU  55   1.693  -2.268  -2.854
  448   2HD1  LEU  55          2HD1      LEU  55   0.741  -1.847  -1.431
  449   3HD1  LEU  55          3HD1      LEU  55   1.505  -3.432  -1.543
  450   1HD2  LEU  55          1HD2      LEU  55   2.169  -2.924   0.593
  451   2HD2  LEU  55          2HD2      LEU  55   3.499  -1.811   0.924
  452   3HD2  LEU  55          3HD2      LEU  55   3.807  -3.331   0.081
  453    H    ILE  56           H        ILE  56   6.846  -2.556   0.446
  454    HA   ILE  56           HA       ILE  56   8.349  -4.344  -1.316
  455    HB   ILE  56           HB       ILE  56   8.791  -3.539   1.562
  456   1HG1  ILE  56          2HG1      ILE  56  10.591  -3.216  -0.840
  457   2HG1  ILE  56          1HG1      ILE  56   9.446  -1.994  -0.323
  458   1HG2  ILE  56          1HG2      ILE  56  11.029  -4.912   0.713
  459   2HG2  ILE  56          2HG2      ILE  56   9.685  -5.903   0.147
  460   3HG2  ILE  56          3HG2      ILE  56   9.820  -5.492   1.857
  461   1HD1  ILE  56          1HD1      ILE  56  10.768  -1.284   1.325
  462   2HD1  ILE  56          2HD1      ILE  56  12.039  -2.150   0.464
  463   3HD1  ILE  56          3HD1      ILE  56  11.198  -2.925   1.808
  464    H    SER  57           H        SER  57   8.250  -6.539  -1.196
  465    HA   SER  57           HA       SER  57   6.293  -7.653   0.696
  466   1HB   SER  57          2HB       SER  57   5.156  -8.481  -1.033
  467   2HB   SER  57          1HB       SER  57   6.292  -7.704  -2.135
  468    HG   SER  57           HG       SER  57   5.942 -10.237  -1.895
  469    H    ILE  58           H        ILE  58   7.125  -8.948   2.112
  470    HA   ILE  58           HA       ILE  58   9.575 -10.447   1.458
  471    HB   ILE  58           HB       ILE  58   8.624  -9.632   4.207
  472   1HG1  ILE  58          2HG1      ILE  58  11.031  -8.521   2.782
  473   2HG1  ILE  58          1HG1      ILE  58   9.441  -7.796   2.570
  474   1HG2  ILE  58          1HG2      ILE  58  11.056 -10.251   4.741
  475   2HG2  ILE  58          2HG2      ILE  58  11.037 -11.101   3.195
  476   3HG2  ILE  58          3HG2      ILE  58   9.910 -11.565   4.471
  477   1HD1  ILE  58          1HD1      ILE  58  10.055  -8.193   5.362
  478   2HD1  ILE  58          2HD1      ILE  58   9.593  -6.724   4.502
  479   3HD1  ILE  58          3HD1      ILE  58  11.284  -7.223   4.550
  480    H    GLN  59           H        GLN  59   9.404 -12.587   1.378
  481    HA   GLN  59           HA       GLN  59   7.013 -13.831   2.550
  482   1HB   GLN  59          2HB       GLN  59   7.989 -15.760   0.925
  483   2HB   GLN  59          1HB       GLN  59   6.816 -14.553   0.421
  484   1HG   GLN  59          2HG       GLN  59   8.777 -13.144  -0.324
  485   2HG   GLN  59          1HG       GLN  59   9.775 -14.576  -0.067
  486   1HE2  GLN  59          1HE2      GLN  59   8.206 -16.581  -0.958
  487   2HE2  GLN  59          2HE2      GLN  59   7.892 -16.397  -2.646
  488    H    GLN  60           H        GLN  60   7.430 -16.251   3.082
  489    HA   GLN  60           HA       GLN  60   9.256 -16.323   5.234
  490   1HB   GLN  60          2HB       GLN  60   8.699 -18.829   5.190
  491   2HB   GLN  60          1HB       GLN  60   7.380 -17.701   5.477
  492   1HG   GLN  60          2HG       GLN  60   7.118 -17.873   2.863
  493   2HG   GLN  60          1HG       GLN  60   7.936 -19.414   3.117
  494   1HE2  GLN  60          1HE2      GLN  60   6.973 -20.495   5.253
  495   2HE2  GLN  60          2HE2      GLN  60   5.254 -20.665   5.213
  496    H    TYR  61           H        TYR  61   9.651 -16.931   1.893
  497    HA   TYR  61           HA       TYR  61  12.115 -18.456   2.360
  498   1HB   TYR  61          2HB       TYR  61  10.715 -17.931  -0.268
  499   2HB   TYR  61          1HB       TYR  61  12.035 -19.058   0.019
  500    HD1  TYR  61           1HD      TYR  61  11.547 -20.919   1.808
  501    HD2  TYR  61           2HD      TYR  61   8.540 -18.727  -0.254
  502    HE1  TYR  61           1HE      TYR  61   9.924 -22.703   2.289
  503    HE2  TYR  61           2HE      TYR  61   6.909 -20.505   0.221
  504    HH   TYR  61           HH       TYR  61   7.812 -23.367   2.122
  505    H    GLY  62           H        GLY  62  11.401 -15.378   2.407
  506   1HA   GLY  62          2HA       GLY  62  13.060 -13.683   2.394
  507   2HA   GLY  62          1HA       GLY  62  13.957 -14.607   1.202
  508    H    HIS  63           H        HIS  63  13.920 -13.857  -0.804
  509    HA   HIS  63           HA       HIS  63  13.388 -12.605  -2.628
  510   1HB   HIS  63          2HB       HIS  63  11.070 -14.067  -1.904
  511   2HB   HIS  63          1HB       HIS  63  10.537 -12.459  -2.387
  512    HD2  HIS  63           2HD      HIS  63   9.540 -13.132  -4.829
  513    HE1  HIS  63           1HE      HIS  63  13.141 -14.743  -6.363
  514    HE2  HIS  63           2HE      HIS  63  10.816 -13.915  -6.946
  515    H    GLN  64           H        GLN  64  11.640 -10.724  -3.297
  516    HA   GLN  64           HA       GLN  64  10.911  -8.892  -1.283
  517   1HB   GLN  64          2HB       GLN  64  13.678  -8.790  -2.157
  518   2HB   GLN  64          1HB       GLN  64  12.844  -7.272  -2.463
  519   1HG   GLN  64          2HG       GLN  64  12.140  -8.143   0.139
  520   2HG   GLN  64          1HG       GLN  64  13.892  -8.268  -0.026
  521   1HE2  GLN  64          1HE2      GLN  64  13.210  -6.537   1.760
  522   2HE2  GLN  64          2HE2      GLN  64  13.308  -4.906   1.201
  523    H    GLU  65           H        GLU  65   9.062  -8.520  -2.388
  524    HA   GLU  65           HA       GLU  65   9.212  -7.642  -5.177
  525   1HB   GLU  65          2HB       GLU  65   7.462  -9.323  -3.925
  526   2HB   GLU  65          1HB       GLU  65   6.582  -7.805  -3.852
  527   1HG   GLU  65          2HG       GLU  65   6.755  -7.573  -6.272
  528   2HG   GLU  65          1HG       GLU  65   7.659  -9.085  -6.355
  529    H    VAL  66           H        VAL  66   9.402  -5.540  -5.543
  530    HA   VAL  66           HA       VAL  66   8.025  -3.698  -3.715
  531    HB   VAL  66           HB       VAL  66  10.214  -3.473  -3.016
  532   1HG1  VAL  66          1HG1      VAL  66  11.223  -3.384  -5.843
  533   2HG1  VAL  66          2HG1      VAL  66  11.102  -4.871  -4.900
  534   3HG1  VAL  66          3HG1      VAL  66  12.155  -3.565  -4.356
  535   1HG2  VAL  66          1HG2      VAL  66   9.064  -1.360  -4.444
  536   2HG2  VAL  66          2HG2      VAL  66  10.764  -1.372  -4.911
  537   3HG2  VAL  66          3HG2      VAL  66  10.318  -1.255  -3.208
  538    H    THR  67           H        THR  67   6.839  -2.179  -4.608
  539    HA   THR  67           HA       THR  67   7.308  -1.377  -7.387
  540    HB   THR  67           HB       THR  67   4.626  -2.221  -6.268
  541    HG1  THR  67           1HG      THR  67   5.257  -4.051  -7.124
  542   1HG2  THR  67          1HG2      THR  67   4.340  -0.248  -7.649
  543   2HG2  THR  67          2HG2      THR  67   3.750  -1.668  -8.513
  544   3HG2  THR  67          3HG2      THR  67   5.316  -0.969  -8.929
  545    H    ARG  68           H        ARG  68   7.363   0.784  -7.545
  546    HA   ARG  68           HA       ARG  68   6.587   2.391  -5.268
  547   1HB   ARG  68          2HB       ARG  68   7.541   3.547  -7.865
  548   2HB   ARG  68          1HB       ARG  68   7.810   4.128  -6.228
  549   1HG   ARG  68          2HG       ARG  68   8.996   1.569  -6.415
  550   2HG   ARG  68          1HG       ARG  68   9.480   2.486  -7.842
  551   1HD   ARG  68          2HD       ARG  68  10.639   4.029  -6.628
  552   2HD   ARG  68          1HD       ARG  68   9.586   3.875  -5.223
  553    HE   ARG  68           HE       ARG  68  10.917   2.165  -4.435
  554   1HH1  ARG  68          1HH1      ARG  68  11.841   2.983  -7.694
  555   2HH1  ARG  68          2HH1      ARG  68  13.301   2.053  -7.650
  556   1HH2  ARG  68          1HH2      ARG  68  12.836   0.938  -4.370
  557   2HH2  ARG  68          2HH2      ARG  68  13.868   0.892  -5.760
  558    H    PHE  69           H        PHE  69   5.037   4.041  -5.274
  559    HA   PHE  69           HA       PHE  69   3.349   4.459  -7.576
  560   1HB   PHE  69          2HB       PHE  69   1.279   3.905  -6.110
  561   2HB   PHE  69          1HB       PHE  69   2.144   2.591  -6.896
  562    HD1  PHE  69           1HD      PHE  69   2.109   0.714  -5.594
  563    HD2  PHE  69           2HD      PHE  69   2.691   4.487  -3.711
  564    HE1  PHE  69           1HE      PHE  69   2.372  -0.410  -3.424
  565    HE2  PHE  69           2HE      PHE  69   2.965   3.367  -1.532
  566    HZ   PHE  69           HZ       PHE  69   2.801   0.913  -1.393
  567    H    ASP  70           H        ASP  70   1.840   6.174  -7.315
  568    HA   ASP  70           HA       ASP  70   2.445   7.958  -5.046
  569   1HB   ASP  70          2HB       ASP  70   1.930   8.568  -7.954
  570   2HB   ASP  70          1HB       ASP  70   1.702   9.792  -6.709
  571    H    PHE  71           H        PHE  71   0.707   8.661  -3.852
  572    HA   PHE  71           HA       PHE  71  -1.959   8.393  -5.001
  573   1HB   PHE  71          2HB       PHE  71  -2.800   6.906  -3.377
  574   2HB   PHE  71          1HB       PHE  71  -1.260   6.213  -3.883
  575    HD1  PHE  71           1HD      PHE  71   0.613   6.113  -2.379
  576    HD2  PHE  71           2HD      PHE  71  -3.058   7.892  -1.161
  577    HE1  PHE  71           1HE      PHE  71   1.366   6.055  -0.036
  578    HE2  PHE  71           2HE      PHE  71  -2.313   7.842   1.181
  579    HZ   PHE  71           HZ       PHE  71  -0.099   6.919   1.747
  580    H    THR  72           H        THR  72  -3.592   9.493  -3.957
  581    HA   THR  72           HA       THR  72  -3.011  11.111  -1.625
  582    HB   THR  72           HB       THR  72  -3.158  13.178  -2.536
  583    HG1  THR  72           1HG      THR  72  -5.210  13.190  -3.274
  584   1HG2  THR  72          1HG2      THR  72  -2.023  13.410  -4.595
  585   2HG2  THR  72          2HG2      THR  72  -2.598  11.847  -5.177
  586   3HG2  THR  72          3HG2      THR  72  -1.404  11.920  -3.880
  587    H    THR  73           H        THR  73  -5.077  12.262  -0.916
  588    HA   THR  73           HA       THR  73  -7.166  10.367  -0.773
  589    HB   THR  73           HB       THR  73  -7.061  11.767   1.080
  590    HG1  THR  73           1HG      THR  73  -9.048  13.241   0.661
  591   1HG2  THR  73          1HG2      THR  73  -6.685  13.939  -0.929
  592   2HG2  THR  73          2HG2      THR  73  -5.761  13.581   0.529
  593   3HG2  THR  73          3HG2      THR  73  -7.347  14.344   0.655
  594    H    THR  74           H        THR  74  -6.772  13.313  -2.711
  595    HA   THR  74           HA       THR  74  -9.031  12.414  -4.358
  596    HB   THR  74           HB       THR  74 -10.306  14.084  -3.600
  597    HG1  THR  74           1HG      THR  74  -9.862  15.151  -5.467
  598   1HG2  THR  74          1HG2      THR  74  -8.778  14.326  -1.644
  599   2HG2  THR  74          2HG2      THR  74  -9.572  15.829  -2.115
  600   3HG2  THR  74          3HG2      THR  74  -7.885  15.549  -2.547
  601    H    SER  75           H        SER  75  -6.207  14.538  -4.102
  602    HA   SER  75           HA       SER  75  -6.116  15.052  -6.931
  603   1HB   SER  75          2HB       SER  75  -5.255  16.591  -5.071
  604   2HB   SER  75          1HB       SER  75  -3.864  15.511  -4.975
  605    HG   SER  75           HG       SER  75  -4.205  17.506  -6.635
  606    H    THR  76           H        THR  76  -6.116  12.261  -6.254
  607    HA   THR  76           HA       THR  76  -3.568  11.089  -6.337
  608    HB   THR  76           HB       THR  76  -5.786   9.656  -7.690
  609    HG1  THR  76           1HG      THR  76  -6.093   9.536  -4.992
  610   1HG2  THR  76          1HG2      THR  76  -3.370   8.973  -6.544
  611   2HG2  THR  76          2HG2      THR  76  -4.666   7.856  -6.971
  612   3HG2  THR  76          3HG2      THR  76  -4.550   8.485  -5.328
  613    H    SER  77           H        SER  77  -2.554   9.934  -8.090
  614    HA   SER  77           HA       SER  77  -3.248  10.850 -10.784
  615   1HB   SER  77          2HB       SER  77  -0.363  10.857  -9.964
  616   2HB   SER  77          1HB       SER  77  -1.154  11.744 -11.266
  617    HG   SER  77           HG       SER  77  -1.335  13.332  -9.921
  618    H    THR  78           H        THR  78  -3.920   8.416 -10.058
  619    HA   THR  78           HA       THR  78  -2.237   6.732 -11.680
  620    HB   THR  78           HB       THR  78  -2.796   5.484  -9.048
  621    HG1  THR  78           1HG      THR  78  -1.821   7.129  -8.085
  622   1HG2  THR  78          1HG2      THR  78  -0.551   5.409 -11.057
  623   2HG2  THR  78          2HG2      THR  78  -1.725   4.143 -10.695
  624   3HG2  THR  78          3HG2      THR  78  -0.490   4.565  -9.510
  625    HA   PRO  79           HA       PRO  79  -6.793   6.141 -12.346
  626   1HB   PRO  79          2HB       PRO  79  -5.404   4.657 -14.545
  627   2HB   PRO  79          1HB       PRO  79  -6.878   5.632 -14.608
  628   1HG   PRO  79          2HG       PRO  79  -4.573   6.632 -15.467
  629   2HG   PRO  79          1HG       PRO  79  -5.709   7.639 -14.550
  630   1HD   PRO  79          2HD       PRO  79  -3.125   6.445 -13.696
  631   2HD   PRO  79          1HD       PRO  79  -3.916   7.937 -13.153
  632    H    GLY  80           H        GLY  80  -4.722   3.453 -13.439
  633   1HA   GLY  80          2HA       GLY  80  -5.022   1.738 -11.290
  634   2HA   GLY  80          1HA       GLY  80  -6.452   1.507 -12.283
  635    H    SER  81           H        SER  81  -5.250   1.855 -14.824
  636    HA   SER  81           HA       SER  81  -4.280  -0.763 -15.267
  637   1HB   SER  81          2HB       SER  81  -3.557   0.915 -17.459
  638   2HB   SER  81          1HB       SER  81  -4.885  -0.240 -17.356
  639    HG   SER  81           HG       SER  81  -5.342   2.124 -17.755
  640    H    ARG  82           H        ARG  82  -2.484  -1.008 -13.900
  641    HA   ARG  82           HA       ARG  82   0.016  -0.490 -15.108
  642   1HB   ARG  82          2HB       ARG  82  -0.956   1.603 -13.453
  643   2HB   ARG  82          1HB       ARG  82   0.351   0.813 -12.582
  644   1HG   ARG  82          2HG       ARG  82   1.689   1.049 -14.750
  645   2HG   ARG  82          1HG       ARG  82   0.435   2.189 -15.240
  646   1HD   ARG  82          2HD       ARG  82   2.691   2.650 -13.587
  647   2HD   ARG  82          1HD       ARG  82   1.439   3.790 -14.076
  648    HE   ARG  82           HE       ARG  82   0.187   3.034 -12.076
  649   1HH1  ARG  82          1HH1      ARG  82   3.638   2.567 -12.222
  650   2HH1  ARG  82          2HH1      ARG  82   3.834   2.532 -10.502
  651   1HH2  ARG  82          1HH2      ARG  82   0.437   2.988  -9.813
  652   2HH2  ARG  82          2HH2      ARG  82   2.015   2.772  -9.133
  653    H    SER  83           H        SER  83  -1.655  -1.127 -12.052
  654    HA   SER  83           HA       SER  83   0.260  -3.310 -11.553
  655   1HB   SER  83          2HB       SER  83   0.039  -2.918  -9.160
  656   2HB   SER  83          1HB       SER  83   0.552  -1.430  -9.956
  657    HG   SER  83           HG       SER  83  -1.249  -0.511  -9.372
  658    H    HIS  84           H        HIS  84  -2.875  -2.544 -12.287
  659    HA   HIS  84           HA       HIS  84  -4.203  -4.537 -10.686
  660   1HB   HIS  84          2HB       HIS  84  -5.034  -2.301 -12.087
  661   2HB   HIS  84          1HB       HIS  84  -5.639  -3.633 -13.065
  662    HD2  HIS  84           2HD      HIS  84  -7.586  -1.641 -11.228
  663    HE1  HIS  84           1HE      HIS  84  -8.160  -5.215  -9.037
  664    HE2  HIS  84           2HE      HIS  84  -9.162  -2.970  -9.654
  665    H    HIS  85           H        HIS  85  -4.689  -4.327 -14.165
  666    HA   HIS  85           HA       HIS  85  -3.745  -7.105 -14.422
  667   1HB   HIS  85          2HB       HIS  85  -5.792  -6.665 -16.340
  668   2HB   HIS  85          1HB       HIS  85  -5.798  -7.784 -14.982
  669    HD2  HIS  85           2HD      HIS  85  -7.350  -7.065 -12.833
  670    HE1  HIS  85           1HE      HIS  85  -8.788  -3.476 -14.553
  671    HE2  HIS  85           2HE      HIS  85  -9.153  -5.203 -12.734
  672    H    HIS  86           H        HIS  86  -3.396  -7.724 -16.756
  673    HA   HIS  86           HA       HIS  86  -1.946  -5.548 -18.072
  674   1HB   HIS  86          2HB       HIS  86  -1.801  -8.403 -18.968
  675   2HB   HIS  86          1HB       HIS  86  -0.568  -7.149 -19.041
  676    HD2  HIS  86           2HD      HIS  86  -0.555 -10.263 -17.466
  677    HE1  HIS  86           1HE      HIS  86   0.459  -7.710 -14.245
  678    HE2  HIS  86           2HE      HIS  86   0.584 -10.078 -15.142
  679    H    HIS  87           H        HIS  87  -4.351  -4.901 -18.545
  680    HA   HIS  87           HA       HIS  87  -4.971  -5.915 -21.237
  681   1HB   HIS  87          2HB       HIS  87  -6.908  -5.318 -18.997
  682   2HB   HIS  87          1HB       HIS  87  -7.404  -5.486 -20.678
  683    HD2  HIS  87           2HD      HIS  87  -6.032  -7.685 -17.753
  684    HE1  HIS  87           1HE      HIS  87  -7.523 -10.185 -20.825
  685    HE2  HIS  87           2HE      HIS  87  -6.762 -10.086 -18.409
  686    H    HIS  88           H        HIS  88  -3.353  -3.765 -20.916
  687    HA   HIS  88           HA       HIS  88  -4.804  -1.718 -22.273
  688   1HB   HIS  88          2HB       HIS  88  -4.734  -1.530 -19.452
  689   2HB   HIS  88          1HB       HIS  88  -3.611  -0.320 -20.065
  690    HD2  HIS  88           2HD      HIS  88  -7.294  -0.753 -19.432
  691    HE1  HIS  88           1HE      HIS  88  -6.898   2.470 -22.147
  692    HE2  HIS  88           2HE      HIS  88  -8.521   1.116 -20.748
  693    H    HIS  89           H        HIS  89  -2.972  -2.710 -23.571
  694    HA   HIS  89           HA       HIS  89  -0.954  -2.512 -24.597
  695   1HB   HIS  89          2HB       HIS  89  -1.844   0.064 -24.082
  696   2HB   HIS  89          1HB       HIS  89  -0.189   0.073 -23.480
  697    HD2  HIS  89           2HD      HIS  89   0.804   1.580 -25.550
  698    HE1  HIS  89           1HE      HIS  89  -0.126  -1.224 -28.582
  699    HE2  HIS  89           2HE      HIS  89   1.231   0.838 -27.999
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1   9.402 -13.072  11.969
    2   2H    MET   1          2HT       MET   1   8.934 -12.400  13.449
    3   3H    MET   1          3HT       MET   1   7.762 -12.831  12.310
    4    HA   MET   1           HA       MET   1   9.582 -14.912  13.253
    5   1HB   MET   1          2HB       MET   1   7.296 -13.736  14.842
    6   2HB   MET   1          1HB       MET   1   8.006 -15.309  15.180
    7   1HG   MET   1          2HG       MET   1   9.436 -14.280  16.513
    8   2HG   MET   1          1HG       MET   1  10.170 -13.576  15.074
    9   1HE   MET   1          1HE       MET   1   8.868 -12.264  18.569
   10   2HE   MET   1          2HE       MET   1   9.894 -10.943  18.008
   11   3HE   MET   1          3HE       MET   1  10.422 -12.614  17.811
   12    H    ARG   2           H        ARG   2   6.093 -14.164  13.163
   13    HA   ARG   2           HA       ARG   2   5.646 -16.013  11.005
   14   1HB   ARG   2          2HB       ARG   2   5.793 -17.308  13.292
   15   2HB   ARG   2          1HB       ARG   2   4.161 -16.694  13.511
   16   1HG   ARG   2          2HG       ARG   2   4.417 -17.814  10.890
   17   2HG   ARG   2          1HG       ARG   2   4.972 -18.976  12.095
   18   1HD   ARG   2          2HD       ARG   2   2.746 -18.140  13.312
   19   2HD   ARG   2          1HD       ARG   2   2.273 -17.845  11.640
   20    HE   ARG   2           HE       ARG   2   3.267 -20.386  11.627
   21   1HH1  ARG   2          1HH1      ARG   2   0.781 -18.728  13.422
   22   2HH1  ARG   2          2HH1      ARG   2  -0.191 -20.144  13.633
   23   1HH2  ARG   2          1HH2      ARG   2   1.991 -22.255  11.900
   24   2HH2  ARG   2          2HH2      ARG   2   0.496 -22.150  12.768
   25    H    GLY   3           H        GLY   3   5.095 -13.185  12.135
   26   1HA   GLY   3          2HA       GLY   3   3.488 -11.633  11.503
   27   2HA   GLY   3          1HA       GLY   3   2.491 -12.952  10.909
   28    H    SER   4           H        SER   4   0.753 -11.684  11.901
   29    HA   SER   4           HA       SER   4   0.313 -12.576  14.641
   30   1HB   SER   4          2HB       SER   4  -0.526 -10.308  15.293
   31   2HB   SER   4          1HB       SER   4   1.211 -10.361  14.992
   32    HG   SER   4           HG       SER   4   0.358  -8.575  13.951
   33    H    ASN   5           H        ASN   5  -1.991 -12.164  15.320
   34    HA   ASN   5           HA       ASN   5  -4.216 -12.493  14.999
   35   1HB   ASN   5          2HB       ASN   5  -3.554 -10.903  12.526
   36   2HB   ASN   5          1HB       ASN   5  -5.192 -11.453  12.865
   37   1HD2  ASN   5          1HD2      ASN   5  -5.866 -10.962  15.218
   38   2HD2  ASN   5          2HD2      ASN   5  -5.541  -9.352  15.753
   39    H    ALA   6           H        ALA   6  -2.048 -14.293  13.732
   40    HA   ALA   6           HA       ALA   6  -1.926 -16.213  12.520
   41   1HB   ALA   6          1HB       ALA   6  -4.232 -17.454  12.434
   42   2HB   ALA   6          2HB       ALA   6  -4.717 -16.186  13.561
   43   3HB   ALA   6          3HB       ALA   6  -3.373 -17.256  13.961
   44    HA   PRO   7           HA       PRO   7  -3.364 -14.162   8.618
   45   1HB   PRO   7          2HB       PRO   7  -0.749 -15.130   7.672
   46   2HB   PRO   7          1HB       PRO   7  -1.433 -13.505   7.605
   47   1HG   PRO   7          2HG       PRO   7   0.579 -14.111   9.271
   48   2HG   PRO   7          1HG       PRO   7  -0.692 -12.960   9.725
   49   1HD   PRO   7          2HD       PRO   7  -0.366 -15.834  10.513
   50   2HD   PRO   7          1HD       PRO   7  -0.854 -14.442  11.505
   51    H    GLN   8           H        GLN   8  -3.972 -15.115   6.643
   52    HA   GLN   8           HA       GLN   8  -4.540 -17.905   6.780
   53   1HB   GLN   8          2HB       GLN   8  -4.876 -15.902   4.545
   54   2HB   GLN   8          1HB       GLN   8  -5.457 -17.560   4.474
   55   1HG   GLN   8          2HG       GLN   8  -7.337 -16.383   5.098
   56   2HG   GLN   8          1HG       GLN   8  -6.721 -16.973   6.641
   57   1HE2  GLN   8          1HE2      GLN   8  -5.525 -14.293   4.690
   58   2HE2  GLN   8          2HE2      GLN   8  -5.838 -13.062   5.861
   59    HA   PRO   9           HA       PRO   9  -0.546 -19.069   5.034
   60   1HB   PRO   9          2HB       PRO   9  -1.565 -21.803   5.315
   61   2HB   PRO   9          1HB       PRO   9  -0.164 -21.049   6.078
   62   1HG   PRO   9          2HG       PRO   9  -2.391 -21.689   7.462
   63   2HG   PRO   9          1HG       PRO   9  -1.384 -20.289   7.875
   64   1HD   PRO   9          2HD       PRO   9  -3.982 -20.387   6.391
   65   2HD   PRO   9          1HD       PRO   9  -3.420 -19.218   7.604
   66    H    SER  10           H        SER  10  -1.255 -18.230   2.946
   67    HA   SER  10           HA       SER  10  -1.355 -20.236   0.954
   68   1HB   SER  10          2HB       SER  10  -3.801 -20.023   1.920
   69   2HB   SER  10          1HB       SER  10  -3.856 -18.594   0.888
   70    HG   SER  10           HG       SER  10  -4.322 -19.985  -0.617
   71    H    HIS  11           H        HIS  11  -1.532 -16.934   1.957
   72    HA   HIS  11           HA       HIS  11  -0.879 -16.024  -0.759
   73   1HB   HIS  11          2HB       HIS  11  -1.487 -14.143   1.491
   74   2HB   HIS  11          1HB       HIS  11  -1.758 -13.938  -0.236
   75    HD2  HIS  11           2HD      HIS  11  -4.057 -15.255  -1.248
   76    HE1  HIS  11           1HE      HIS  11  -5.743 -15.789   2.598
   77    HE2  HIS  11           2HE      HIS  11  -6.134 -16.022   0.103
   78    H    ILE  12           H        ILE  12   0.314 -13.581  -0.003
   79    HA   ILE  12           HA       ILE  12   3.000 -14.401   0.340
   80    HB   ILE  12           HB       ILE  12   2.477 -12.397  -0.927
   81   1HG1  ILE  12          2HG1      ILE  12   3.861 -10.814   0.929
   82   2HG1  ILE  12          1HG1      ILE  12   4.354 -12.469   1.280
   83   1HG2  ILE  12          1HG2      ILE  12   1.364 -10.551  -0.131
   84   2HG2  ILE  12          2HG2      ILE  12   1.793 -10.882   1.548
   85   3HG2  ILE  12          3HG2      ILE  12   0.544 -11.841   0.750
   86   1HD1  ILE  12          1HD1      ILE  12   5.731 -11.129  -0.399
   87   2HD1  ILE  12          2HD1      ILE  12   4.393 -11.403  -1.514
   88   3HD1  ILE  12          3HD1      ILE  12   5.268 -12.775  -0.835
   89    H    SER  13           H        SER  13   4.432 -14.026   2.063
   90    HA   SER  13           HA       SER  13   3.498 -14.571   4.625
   91   1HB   SER  13          2HB       SER  13   5.993 -14.312   3.419
   92   2HB   SER  13          1HB       SER  13   5.987 -13.054   4.655
   93    HG   SER  13           HG       SER  13   6.580 -14.740   5.821
   94    H    LYS  14           H        LYS  14   4.551 -11.460   3.242
   95    HA   LYS  14           HA       LYS  14   2.577  -9.989   4.637
   96   1HB   LYS  14          2HB       LYS  14   4.192  -8.655   6.061
   97   2HB   LYS  14          1HB       LYS  14   3.842 -10.286   6.616
   98   1HG   LYS  14          2HG       LYS  14   5.952 -11.072   5.712
   99   2HG   LYS  14          1HG       LYS  14   6.297  -9.463   5.075
  100   1HD   LYS  14          2HD       LYS  14   5.852  -8.829   7.640
  101   2HD   LYS  14          1HD       LYS  14   6.429 -10.483   7.853
  102   1HE   LYS  14          2HE       LYS  14   8.471  -9.966   6.674
  103   2HE   LYS  14          1HE       LYS  14   7.883  -8.348   6.296
  104   1HZ   LYS  14          1HZ       LYS  14   9.011  -9.379   8.760
  105   2HZ   LYS  14          2HZ       LYS  14   7.676  -8.357   8.953
  106   3HZ   LYS  14          3HZ       LYS  14   9.046  -7.811   8.125
  107    H    TYR  15           H        TYR  15   2.413  -7.888   3.938
  108    HA   TYR  15           HA       TYR  15   4.177  -7.139   1.711
  109   1HB   TYR  15          2HB       TYR  15   1.330  -6.931   2.191
  110   2HB   TYR  15          1HB       TYR  15   2.010  -5.343   1.862
  111    HD1  TYR  15           1HD      TYR  15   3.363  -5.045  -0.281
  112    HD2  TYR  15           2HD      TYR  15   0.894  -8.436   0.449
  113    HE1  TYR  15           1HE      TYR  15   3.323  -5.528  -2.690
  114    HE2  TYR  15           2HE      TYR  15   0.844  -8.925  -1.960
  115    HH   TYR  15           HH       TYR  15   1.698  -8.406  -3.964
  116    H    ILE  16           H        ILE  16   4.924  -4.924   1.570
  117    HA   ILE  16           HA       ILE  16   5.074  -3.627   4.206
  118    HB   ILE  16           HB       ILE  16   7.209  -4.433   2.557
  119   1HG1  ILE  16          2HG1      ILE  16   7.174  -4.262   5.028
  120   2HG1  ILE  16          1HG1      ILE  16   8.580  -3.466   4.329
  121   1HG2  ILE  16          1HG2      ILE  16   6.730  -1.456   2.430
  122   2HG2  ILE  16          2HG2      ILE  16   7.142  -2.569   1.125
  123   3HG2  ILE  16          3HG2      ILE  16   8.356  -2.137   2.327
  124   1HD1  ILE  16          1HD1      ILE  16   6.126  -2.206   5.515
  125   2HD1  ILE  16          2HD1      ILE  16   7.267  -1.304   4.517
  126   3HD1  ILE  16          3HD1      ILE  16   7.806  -2.040   6.026
  127    H    LEU  17           H        LEU  17   4.944  -1.438   4.341
  128    HA   LEU  17           HA       LEU  17   4.285   0.011   1.897
  129   1HB   LEU  17          2HB       LEU  17   2.413  -0.667   3.885
  130   2HB   LEU  17          1HB       LEU  17   2.778   1.032   4.132
  131    HG   LEU  17           HG       LEU  17   2.376   0.630   1.342
  132   1HD1  LEU  17          1HD1      LEU  17   0.278  -0.612   3.109
  133   2HD1  LEU  17          2HD1      LEU  17   1.138  -1.351   1.757
  134   3HD1  LEU  17          3HD1      LEU  17  -0.033  -0.066   1.461
  135   1HD2  LEU  17          1HD2      LEU  17   2.029   2.717   2.554
  136   2HD2  LEU  17          2HD2      LEU  17   0.688   1.991   3.441
  137   3HD2  LEU  17          3HD2      LEU  17   0.564   2.235   1.700
  138    H    ARG  18           H        ARG  18   5.901   1.358   1.754
  139    HA   ARG  18           HA       ARG  18   6.709   2.855   4.148
  140   1HB   ARG  18          2HB       ARG  18   8.386   1.692   1.928
  141   2HB   ARG  18          1HB       ARG  18   8.959   3.062   2.871
  142   1HG   ARG  18          2HG       ARG  18   9.573   1.737   4.537
  143   2HG   ARG  18          1HG       ARG  18   7.997   0.940   4.566
  144   1HD   ARG  18          2HD       ARG  18   9.531  -0.755   4.059
  145   2HD   ARG  18          1HD       ARG  18   8.778  -0.350   2.523
  146    HE   ARG  18           HE       ARG  18  10.885   1.139   2.290
  147   1HH1  ARG  18          1HH1      ARG  18  10.746  -2.004   3.790
  148   2HH1  ARG  18          2HH1      ARG  18  12.392  -2.395   3.420
  149   1HH2  ARG  18          1HH2      ARG  18  13.054   0.633   1.801
  150   2HH2  ARG  18          2HH2      ARG  18  13.704  -0.896   2.290
  151    H    TRP  19           H        TRP  19   6.427   5.028   3.926
  152    HA   TRP  19           HA       TRP  19   6.635   6.172   1.297
  153   1HB   TRP  19          2HB       TRP  19   4.406   6.661   0.863
  154   2HB   TRP  19          1HB       TRP  19   4.362   5.016   1.479
  155    HD1  TRP  19           HD       TRP  19   3.234   8.512   2.212
  156    HE1  TRP  19           1HE      TRP  19   1.609   8.498   4.223
  157    HE3  TRP  19           3HE      TRP  19   3.836   3.668   3.672
  158    HZ2  TRP  19           2HZ      TRP  19   0.696   6.642   6.155
  159    HZ3  TRP  19           3HZ      TRP  19   2.551   2.840   5.600
  160    HH2  TRP  19           HH       TRP  19   1.014   4.297   6.816
  161    H    ARG  20           H        ARG  20   6.254   8.370   1.135
  162    HA   ARG  20           HA       ARG  20   5.965  10.067   3.424
  163   1HB   ARG  20          2HB       ARG  20   8.117  10.926   3.592
  164   2HB   ARG  20          1HB       ARG  20   8.462   9.233   3.273
  165   1HG   ARG  20          2HG       ARG  20   8.344  11.290   1.091
  166   2HG   ARG  20          1HG       ARG  20   9.820  10.934   1.989
  167   1HD   ARG  20          2HD       ARG  20   9.208   8.455   1.351
  168   2HD   ARG  20          1HD       ARG  20   8.314   9.246   0.052
  169    HE   ARG  20           HE       ARG  20  11.222   9.359   0.458
  170   1HH1  ARG  20          1HH1      ARG  20   8.406   9.934  -1.506
  171   2HH1  ARG  20          2HH1      ARG  20   9.315  10.284  -2.938
  172   1HH2  ARG  20          1HH2      ARG  20  12.432   9.822  -1.421
  173   2HH2  ARG  20          2HH2      ARG  20  11.604  10.220  -2.890
  174    HA   PRO  21           HA       PRO  21   4.404  12.846   0.389
  175   1HB   PRO  21          2HB       PRO  21   6.465  14.852   1.019
  176   2HB   PRO  21          1HB       PRO  21   4.716  15.023   0.975
  177   1HG   PRO  21          2HG       PRO  21   5.978  14.903   3.301
  178   2HG   PRO  21          1HG       PRO  21   4.428  14.081   3.045
  179   1HD   PRO  21          2HD       PRO  21   7.179  12.926   3.161
  180   2HD   PRO  21          1HD       PRO  21   5.649  12.259   3.767
  181    H    LYS  22           H        LYS  22   4.696  12.295  -1.628
  182    HA   LYS  22           HA       LYS  22   6.743  11.461  -3.084
  183   1HB   LYS  22          2HB       LYS  22   4.548  11.627  -3.984
  184   2HB   LYS  22          1HB       LYS  22   4.583  13.380  -3.914
  185   1HG   LYS  22          2HG       LYS  22   4.897  12.298  -6.180
  186   2HG   LYS  22          1HG       LYS  22   6.070  13.533  -5.724
  187   1HD   LYS  22          2HD       LYS  22   7.549  11.629  -4.937
  188   2HD   LYS  22          1HD       LYS  22   6.418  10.539  -5.741
  189   1HE   LYS  22          2HE       LYS  22   8.300  12.534  -6.916
  190   2HE   LYS  22          1HE       LYS  22   8.006  10.860  -7.382
  191   1HZ   LYS  22          1HZ       LYS  22   5.772  11.612  -8.164
  192   2HZ   LYS  22          2HZ       LYS  22   7.073  12.236  -9.048
  193   3HZ   LYS  22          3HZ       LYS  22   6.276  13.209  -7.916
  194    H    ASN  23           H        ASN  23   5.955  14.945  -2.805
  195    HA   ASN  23           HA       ASN  23   8.628  15.572  -3.848
  196   1HB   ASN  23          2HB       ASN  23   6.031  17.043  -3.785
  197   2HB   ASN  23          1HB       ASN  23   7.524  17.974  -3.824
  198   1HD2  ASN  23          1HD2      ASN  23   8.723  18.044  -5.667
  199   2HD2  ASN  23          2HD2      ASN  23   8.213  17.351  -7.166
  200    H    SER  24           H        SER  24   6.457  16.377  -1.163
  201    HA   SER  24           HA       SER  24   8.401  18.007   0.171
  202   1HB   SER  24          2HB       SER  24   6.006  18.429   0.446
  203   2HB   SER  24          1HB       SER  24   5.791  16.835   1.167
  204    HG   SER  24           HG       SER  24   6.528  17.572   2.997
  205    H    VAL  25           H        VAL  25   8.540  17.392   2.723
  206    HA   VAL  25           HA       VAL  25   9.480  14.606   2.875
  207    HB   VAL  25           HB       VAL  25  11.316  15.456   4.394
  208   1HG1  VAL  25          1HG1      VAL  25  12.474  16.576   2.212
  209   2HG1  VAL  25          2HG1      VAL  25  11.137  15.695   1.473
  210   3HG1  VAL  25          3HG1      VAL  25  12.310  14.841   2.476
  211   1HG2  VAL  25          1HG2      VAL  25  10.298  17.685   4.786
  212   2HG2  VAL  25          2HG2      VAL  25  10.662  18.108   3.112
  213   3HG2  VAL  25          3HG2      VAL  25  11.973  17.771   4.242
  214    H    GLY  26           H        GLY  26   8.836  13.502   4.630
  215   1HA   GLY  26          2HA       GLY  26   8.128  14.870   7.085
  216   2HA   GLY  26          1HA       GLY  26   6.774  14.137   6.238
  217    H    ARG  27           H        ARG  27  10.032  12.832   6.332
  218    HA   ARG  27           HA       ARG  27  10.910  10.924   7.191
  219   1HB   ARG  27          2HB       ARG  27  10.475  11.583   9.389
  220   2HB   ARG  27          1HB       ARG  27   8.733  11.486   9.179
  221   1HG   ARG  27          2HG       ARG  27   8.961   9.596  10.363
  222   2HG   ARG  27          1HG       ARG  27   9.396   8.903   8.800
  223   1HD   ARG  27          2HD       ARG  27  11.371   8.335   9.637
  224   2HD   ARG  27          1HD       ARG  27  11.743  10.044   9.862
  225    HE   ARG  27           HE       ARG  27  11.110   9.866  12.113
  226   1HH1  ARG  27          1HH1      ARG  27  10.793   6.836  10.414
  227   2HH1  ARG  27          2HH1      ARG  27  10.678   5.892  11.861
  228   1HH2  ARG  27          1HH2      ARG  27  10.960   8.625  14.019
  229   2HH2  ARG  27          2HH2      ARG  27  10.770   6.908  13.907
  230    H    TRP  28           H        TRP  28  10.801   8.779   6.716
  231    HA   TRP  28           HA       TRP  28   8.821   7.860   4.959
  232   1HB   TRP  28          2HB       TRP  28  11.036   6.542   6.488
  233   2HB   TRP  28          1HB       TRP  28   9.869   5.545   5.629
  234    HD1  TRP  28           HD       TRP  28  13.049   7.346   5.128
  235    HE1  TRP  28           1HE      TRP  28  13.668   7.421   2.633
  236    HE3  TRP  28           3HE      TRP  28   8.578   5.865   3.137
  237    HZ2  TRP  28           2HZ      TRP  28  12.428   6.917   0.148
  238    HZ3  TRP  28           3HZ      TRP  28   8.375   5.694   0.688
  239    HH2  TRP  28           HH       TRP  28  10.265   6.205  -0.772
  240    H    LYS  29           H        LYS  29   7.528   5.815   5.325
  241    HA   LYS  29           HA       LYS  29   6.462   5.657   8.064
  242   1HB   LYS  29          2HB       LYS  29   4.784   5.713   5.547
  243   2HB   LYS  29          1HB       LYS  29   4.179   5.508   7.184
  244   1HG   LYS  29          2HG       LYS  29   5.793   7.913   6.839
  245   2HG   LYS  29          1HG       LYS  29   4.349   7.874   5.824
  246   1HD   LYS  29          2HD       LYS  29   3.747   6.969   8.492
  247   2HD   LYS  29          1HD       LYS  29   4.507   8.562   8.530
  248   1HE   LYS  29          2HE       LYS  29   2.744   8.851   6.480
  249   2HE   LYS  29          1HE       LYS  29   1.869   7.745   7.538
  250   1HZ   LYS  29          1HZ       LYS  29   2.305   9.342   9.371
  251   2HZ   LYS  29          2HZ       LYS  29   1.307   9.957   8.152
  252   3HZ   LYS  29          3HZ       LYS  29   2.930  10.426   8.234
  253    H    GLU  30           H        GLU  30   5.334   3.575   8.494
  254    HA   GLU  30           HA       GLU  30   6.040   1.473   6.581
  255   1HB   GLU  30          2HB       GLU  30   7.312   0.221   8.019
  256   2HB   GLU  30          1HB       GLU  30   7.746   1.841   8.534
  257   1HG   GLU  30          2HG       GLU  30   5.491   0.481   9.909
  258   2HG   GLU  30          1HG       GLU  30   7.135  -0.045  10.257
  259    H    ALA  31           H        ALA  31   4.506   0.061   6.229
  260    HA   ALA  31           HA       ALA  31   2.532  -0.563   8.288
  261   1HB   ALA  31          1HB       ALA  31   1.016   0.781   7.339
  262   2HB   ALA  31          2HB       ALA  31   0.941  -0.426   6.054
  263   3HB   ALA  31          3HB       ALA  31   1.983   0.988   5.879
  264    H    THR  32           H        THR  32   2.354  -2.728   8.413
  265    HA   THR  32           HA       THR  32   3.130  -4.303   6.051
  266    HB   THR  32           HB       THR  32   2.911  -5.462   8.810
  267    HG1  THR  32           1HG      THR  32   5.413  -4.970   8.479
  268   1HG2  THR  32          1HG2      THR  32   3.947  -7.261   7.927
  269   2HG2  THR  32          2HG2      THR  32   5.039  -6.278   6.954
  270   3HG2  THR  32          3HG2      THR  32   3.402  -6.603   6.384
  271    H    ILE  33           H        ILE  33   1.591  -5.291   4.958
  272    HA   ILE  33           HA       ILE  33  -0.874  -6.087   6.370
  273    HB   ILE  33           HB       ILE  33  -1.332  -5.805   3.552
  274   1HG1  ILE  33          2HG1      ILE  33   0.545  -4.103   3.885
  275   2HG1  ILE  33          1HG1      ILE  33  -0.934  -3.522   3.144
  276   1HG2  ILE  33          1HG2      ILE  33  -3.266  -4.736   4.227
  277   2HG2  ILE  33          2HG2      ILE  33  -2.508  -4.060   5.666
  278   3HG2  ILE  33          3HG2      ILE  33  -2.895  -5.779   5.599
  279   1HD1  ILE  33          1HD1      ILE  33  -1.597  -2.439   5.150
  280   2HD1  ILE  33          2HD1      ILE  33   0.082  -2.001   4.836
  281   3HD1  ILE  33          3HD1      ILE  33  -0.299  -3.210   6.063
  282    HA   PRO  34           HA       PRO  34   0.728 -10.020   4.790
  283   1HB   PRO  34          2HB       PRO  34  -0.823 -11.612   6.325
  284   2HB   PRO  34          1HB       PRO  34   0.624 -10.807   6.947
  285   1HG   PRO  34          2HG       PRO  34  -2.252 -10.017   7.225
  286   2HG   PRO  34          1HG       PRO  34  -0.968 -10.010   8.448
  287   1HD   PRO  34          2HD       PRO  34  -1.770  -7.770   7.132
  288   2HD   PRO  34          1HD       PRO  34  -0.111  -8.004   7.716
  289    H    GLY  35           H        GLY  35   0.024 -10.361   2.761
  290   1HA   GLY  35          2HA       GLY  35  -1.324 -11.060   1.042
  291   2HA   GLY  35          1HA       GLY  35  -2.326 -11.824   2.266
  292    H    HIS  36           H        HIS  36  -4.364 -11.187   2.202
  293    HA   HIS  36           HA       HIS  36  -4.970  -8.357   1.849
  294   1HB   HIS  36          2HB       HIS  36  -6.704  -8.843   0.156
  295   2HB   HIS  36          1HB       HIS  36  -5.087  -9.247  -0.411
  296    HD2  HIS  36           2HD      HIS  36  -4.768 -12.259   0.621
  297    HE1  HIS  36           1HE      HIS  36  -8.493 -12.917  -1.273
  298    HE2  HIS  36           2HE      HIS  36  -6.493 -14.023  -0.178
  299    H    LEU  37           H        LEU  37  -5.258  -8.933   4.203
  300    HA   LEU  37           HA       LEU  37  -7.409 -10.548   5.057
  301   1HB   LEU  37          2HB       LEU  37  -7.187  -9.275   7.203
  302   2HB   LEU  37          1HB       LEU  37  -5.708 -10.022   6.630
  303    HG   LEU  37           HG       LEU  37  -6.181  -7.181   5.886
  304   1HD1  LEU  37          1HD1      LEU  37  -6.810  -7.381   8.299
  305   2HD1  LEU  37          2HD1      LEU  37  -5.432  -6.329   7.978
  306   3HD1  LEU  37          3HD1      LEU  37  -5.172  -7.954   8.614
  307   1HD2  LEU  37          1HD2      LEU  37  -4.181  -7.935   5.040
  308   2HD2  LEU  37          2HD2      LEU  37  -3.874  -8.996   6.416
  309   3HD2  LEU  37          3HD2      LEU  37  -3.661  -7.252   6.582
  310    H    ASN  38           H        ASN  38  -7.179  -7.194   4.084
  311    HA   ASN  38           HA       ASN  38  -9.928  -6.973   3.535
  312   1HB   ASN  38          2HB       ASN  38 -10.396  -5.156   5.280
  313   2HB   ASN  38          1HB       ASN  38 -10.400  -6.825   5.844
  314   1HD2  ASN  38          1HD2      ASN  38  -8.041  -4.217   5.328
  315   2HD2  ASN  38          2HD2      ASN  38  -7.229  -4.427   6.839
  316    H    SER  39           H        SER  39 -10.407  -4.332   3.604
  317    HA   SER  39           HA       SER  39  -8.483  -3.322   1.690
  318   1HB   SER  39          2HB       SER  39 -11.193  -2.417   2.632
  319   2HB   SER  39          1HB       SER  39 -10.168  -1.347   1.676
  320    HG   SER  39           HG       SER  39 -10.561  -2.509  -0.039
  321    H    TYR  40           H        TYR  40  -6.674  -2.491   2.540
  322    HA   TYR  40           HA       TYR  40  -6.808  -0.907   4.989
  323   1HB   TYR  40          2HB       TYR  40  -5.047  -2.607   4.826
  324   2HB   TYR  40          1HB       TYR  40  -4.422  -1.837   3.373
  325    HD1  TYR  40           1HD      TYR  40  -3.089   0.168   3.505
  326    HD2  TYR  40           2HD      TYR  40  -4.750  -1.555   7.023
  327    HE1  TYR  40           1HE      TYR  40  -1.628   1.587   4.883
  328    HE2  TYR  40           2HE      TYR  40  -3.291  -0.141   8.411
  329    HH   TYR  40           HH       TYR  40  -0.743   1.128   7.703
  330    H    THR  41           H        THR  41  -7.385   1.145   4.678
  331    HA   THR  41           HA       THR  41  -6.312   2.574   2.343
  332    HB   THR  41           HB       THR  41  -8.194   3.851   2.241
  333    HG1  THR  41           1HG      THR  41  -9.304   3.670   4.698
  334   1HG2  THR  41          1HG2      THR  41 -10.084   2.521   2.435
  335   2HG2  THR  41          2HG2      THR  41  -9.526   1.765   3.928
  336   3HG2  THR  41          3HG2      THR  41  -8.792   1.321   2.386
  337    H    ILE  42           H        ILE  42  -5.155   4.433   2.561
  338    HA   ILE  42           HA       ILE  42  -4.216   5.058   5.268
  339    HB   ILE  42           HB       ILE  42  -3.046   5.945   2.628
  340   1HG1  ILE  42          2HG1      ILE  42  -1.360   4.119   4.015
  341   2HG1  ILE  42          1HG1      ILE  42  -2.962   3.393   3.915
  342   1HG2  ILE  42          1HG2      ILE  42  -1.230   6.789   3.819
  343   2HG2  ILE  42          2HG2      ILE  42  -1.650   5.896   5.280
  344   3HG2  ILE  42          3HG2      ILE  42  -2.624   7.278   4.780
  345   1HD1  ILE  42          1HD1      ILE  42  -2.952   3.697   1.499
  346   2HD1  ILE  42          2HD1      ILE  42  -1.567   2.744   2.036
  347   3HD1  ILE  42          3HD1      ILE  42  -1.355   4.439   1.595
  348    H    LYS  43           H        LYS  43  -4.683   6.942   6.239
  349    HA   LYS  43           HA       LYS  43  -5.944   9.040   4.605
  350   1HB   LYS  43          2HB       LYS  43  -6.811   7.765   7.107
  351   2HB   LYS  43          1HB       LYS  43  -6.908   9.520   7.112
  352   1HG   LYS  43          2HG       LYS  43  -8.924   9.177   6.204
  353   2HG   LYS  43          1HG       LYS  43  -8.014   8.960   4.706
  354   1HD   LYS  43          2HD       LYS  43  -8.774   6.878   4.555
  355   2HD   LYS  43          1HD       LYS  43  -7.995   6.486   6.089
  356   1HE   LYS  43          2HE       LYS  43 -10.705   7.782   5.892
  357   2HE   LYS  43          1HE       LYS  43 -10.473   6.036   5.972
  358   1HZ   LYS  43          1HZ       LYS  43 -10.151   6.138   8.153
  359   2HZ   LYS  43          2HZ       LYS  43 -10.688   7.741   8.096
  360   3HZ   LYS  43          3HZ       LYS  43  -9.033   7.402   8.023
  361    H    GLY  44           H        GLY  44  -3.736   9.815   4.369
  362   1HA   GLY  44          2HA       GLY  44  -3.111  11.757   6.455
  363   2HA   GLY  44          1HA       GLY  44  -1.849  10.592   6.066
  364    H    LEU  45           H        LEU  45  -3.804  11.252   3.444
  365    HA   LEU  45           HA       LEU  45  -1.951  13.278   2.372
  366   1HB   LEU  45          2HB       LEU  45  -3.315  11.310   0.576
  367   2HB   LEU  45          1HB       LEU  45  -1.820  12.188   0.325
  368    HG   LEU  45           HG       LEU  45  -0.748  10.691   2.041
  369   1HD1  LEU  45          1HD1      LEU  45  -2.590   8.524   1.749
  370   2HD1  LEU  45          2HD1      LEU  45  -3.408   9.910   2.471
  371   3HD1  LEU  45          3HD1      LEU  45  -1.953   9.257   3.220
  372   1HD2  LEU  45          1HD2      LEU  45  -0.444  10.345  -0.345
  373   2HD2  LEU  45          2HD2      LEU  45  -1.928   9.394  -0.409
  374   3HD2  LEU  45          3HD2      LEU  45  -0.540   8.801   0.503
  375    H    LYS  46           H        LYS  46  -3.461  13.311  -0.129
  376    HA   LYS  46           HA       LYS  46  -6.093  13.644  -0.160
  377   1HB   LYS  46          2HB       LYS  46  -6.464  16.066   0.332
  378   2HB   LYS  46          1HB       LYS  46  -6.100  15.107   1.756
  379   1HG   LYS  46          2HG       LYS  46  -3.626  15.991   0.929
  380   2HG   LYS  46          1HG       LYS  46  -4.685  17.367   0.606
  381   1HD   LYS  46          2HD       LYS  46  -5.551  16.648   3.062
  382   2HD   LYS  46          1HD       LYS  46  -3.857  16.166   3.170
  383   1HE   LYS  46          2HE       LYS  46  -4.641  18.606   3.800
  384   2HE   LYS  46          1HE       LYS  46  -3.092  18.310   3.012
  385   1HZ   LYS  46          1HZ       LYS  46  -4.545  20.135   2.062
  386   2HZ   LYS  46          2HZ       LYS  46  -5.538  18.905   1.460
  387   3HZ   LYS  46          3HZ       LYS  46  -3.925  19.009   0.961
  388    HA   PRO  47           HA       PRO  47  -5.373  15.046  -4.257
  389   1HB   PRO  47          2HB       PRO  47  -7.174  17.154  -4.502
  390   2HB   PRO  47          1HB       PRO  47  -7.538  15.446  -4.773
  391   1HG   PRO  47          2HG       PRO  47  -8.046  17.134  -2.367
  392   2HG   PRO  47          1HG       PRO  47  -9.040  15.844  -3.070
  393   1HD   PRO  47          2HD       PRO  47  -7.568  15.439  -0.867
  394   2HD   PRO  47          1HD       PRO  47  -7.784  14.167  -2.088
  395    H    GLY  48           H        GLY  48  -4.826  17.022  -1.587
  396   1HA   GLY  48          2HA       GLY  48  -3.747  19.262  -3.107
  397   2HA   GLY  48          1HA       GLY  48  -3.833  19.134  -1.355
  398    H    VAL  49           H        VAL  49  -2.556  16.737  -0.889
  399    HA   VAL  49           HA       VAL  49   0.170  17.299  -1.868
  400    HB   VAL  49           HB       VAL  49   0.328  15.608   0.381
  401   1HG1  VAL  49          1HG1      VAL  49   2.081  17.069  -0.282
  402   2HG1  VAL  49          2HG1      VAL  49   1.557  17.552   1.337
  403   3HG1  VAL  49          3HG1      VAL  49   1.052  18.491  -0.068
  404   1HG2  VAL  49          1HG2      VAL  49  -1.620  16.137   1.425
  405   2HG2  VAL  49          2HG2      VAL  49  -1.725  17.731   0.667
  406   3HG2  VAL  49          3HG2      VAL  49  -0.615  17.466   2.013
  407    H    VAL  50           H        VAL  50   1.352  15.712  -2.744
  408    HA   VAL  50           HA       VAL  50   0.042  13.103  -3.055
  409    HB   VAL  50           HB       VAL  50   0.534  14.084  -5.184
  410   1HG1  VAL  50          1HG1      VAL  50   3.417  14.196  -5.065
  411   2HG1  VAL  50          2HG1      VAL  50   2.677  15.280  -3.888
  412   3HG1  VAL  50          3HG1      VAL  50   2.263  15.418  -5.597
  413   1HG2  VAL  50          1HG2      VAL  50   1.818  11.672  -4.283
  414   2HG2  VAL  50          2HG2      VAL  50   2.735  12.413  -5.595
  415   3HG2  VAL  50          3HG2      VAL  50   1.033  12.016  -5.825
  416    H    TYR  51           H        TYR  51   0.765  11.530  -1.771
  417    HA   TYR  51           HA       TYR  51   3.483  11.749  -0.688
  418   1HB   TYR  51          2HB       TYR  51   1.096  10.149   0.229
  419   2HB   TYR  51          1HB       TYR  51   2.702   9.983   0.926
  420    HD1  TYR  51           1HD      TYR  51   3.302  11.300   2.729
  421    HD2  TYR  51           2HD      TYR  51   0.099  12.568   0.230
  422    HE1  TYR  51           1HE      TYR  51   2.850  13.160   4.268
  423    HE2  TYR  51           2HE      TYR  51  -0.356  14.440   1.762
  424    HH   TYR  51           HH       TYR  51   1.304  14.747   4.840
  425    H    GLU  52           H        GLU  52   5.041  10.435  -1.402
  426    HA   GLU  52           HA       GLU  52   4.402   8.446  -3.375
  427   1HB   GLU  52          2HB       GLU  52   6.389   9.590  -3.848
  428   2HB   GLU  52          1HB       GLU  52   6.939   9.518  -2.181
  429   1HG   GLU  52          2HG       GLU  52   7.974   7.577  -2.490
  430   2HG   GLU  52          1HG       GLU  52   6.625   6.897  -3.397
  431    H    GLY  53           H        GLY  53   4.050   6.369  -3.022
  432   1HA   GLY  53          2HA       GLY  53   4.711   5.296  -0.356
  433   2HA   GLY  53          1HA       GLY  53   3.302   4.811  -1.281
  434    H    GLN  54           H        GLN  54   5.156   3.025  -0.176
  435    HA   GLN  54           HA       GLN  54   6.210   1.856  -2.666
  436   1HB   GLN  54          2HB       GLN  54   8.068   2.884  -1.413
  437   2HB   GLN  54          1HB       GLN  54   7.667   1.885  -0.021
  438   1HG   GLN  54          2HG       GLN  54   8.616   0.046  -0.895
  439   2HG   GLN  54          1HG       GLN  54   8.113   0.435  -2.539
  440   1HE2  GLN  54          1HE2      GLN  54   9.938   2.497  -0.350
  441   2HE2  GLN  54          2HE2      GLN  54  11.383   2.535  -1.294
  442    H    LEU  55           H        LEU  55   5.182   0.020  -3.017
  443    HA   LEU  55           HA       LEU  55   4.283  -1.587  -0.733
  444   1HB   LEU  55          2HB       LEU  55   3.208  -1.014  -3.346
  445   2HB   LEU  55          1HB       LEU  55   3.325  -2.744  -3.070
  446    HG   LEU  55           HG       LEU  55   1.156  -1.951  -2.393
  447   1HD1  LEU  55          1HD1      LEU  55   1.530  -2.405   0.222
  448   2HD1  LEU  55          2HD1      LEU  55   3.037  -3.047  -0.432
  449   3HD1  LEU  55          3HD1      LEU  55   1.490  -3.675  -0.999
  450   1HD2  LEU  55          1HD2      LEU  55   2.714   0.179  -1.172
  451   2HD2  LEU  55          2HD2      LEU  55   1.444  -0.468  -0.135
  452   3HD2  LEU  55          3HD2      LEU  55   1.040   0.173  -1.727
  453    H    ILE  56           H        ILE  56   5.858  -2.961  -0.125
  454    HA   ILE  56           HA       ILE  56   7.261  -4.452  -2.243
  455    HB   ILE  56           HB       ILE  56   8.249  -3.802   0.535
  456   1HG1  ILE  56          2HG1      ILE  56   9.448  -2.885  -2.066
  457   2HG1  ILE  56          1HG1      ILE  56   8.171  -1.970  -1.276
  458   1HG2  ILE  56          1HG2      ILE  56   8.971  -5.907  -1.193
  459   2HG2  ILE  56          2HG2      ILE  56   9.753  -5.412   0.309
  460   3HG2  ILE  56          3HG2      ILE  56  10.285  -4.731  -1.228
  461   1HD1  ILE  56          1HD1      ILE  56  10.344  -1.073  -0.716
  462   2HD1  ILE  56          2HD1      ILE  56  10.854  -2.645  -0.098
  463   3HD1  ILE  56          3HD1      ILE  56   9.570  -1.752   0.717
  464    H    SER  57           H        SER  57   6.732  -6.530  -2.387
  465    HA   SER  57           HA       SER  57   5.291  -7.812  -0.239
  466   1HB   SER  57          2HB       SER  57   6.257  -9.345  -2.613
  467   2HB   SER  57          1HB       SER  57   4.723  -9.457  -1.748
  468    HG   SER  57           HG       SER  57   5.367  -7.128  -3.184
  469    H    ILE  58           H        ILE  58   6.031  -9.349   1.083
  470    HA   ILE  58           HA       ILE  58   8.901  -9.971   0.951
  471    HB   ILE  58           HB       ILE  58   7.172  -9.373   3.327
  472   1HG1  ILE  58          2HG1      ILE  58   9.683  -8.230   3.601
  473   2HG1  ILE  58          1HG1      ILE  58   9.372  -8.138   1.868
  474   1HG2  ILE  58          1HG2      ILE  58   9.689 -10.050   4.305
  475   2HG2  ILE  58          2HG2      ILE  58   9.274 -11.350   3.187
  476   3HG2  ILE  58          3HG2      ILE  58   8.190 -10.955   4.521
  477   1HD1  ILE  58          1HD1      ILE  58   8.099  -6.366   2.203
  478   2HD1  ILE  58          2HD1      ILE  58   8.381  -6.481   3.941
  479   3HD1  ILE  58          3HD1      ILE  58   7.017  -7.328   3.210
  480    H    GLN  59           H        GLN  59   9.528 -12.017   0.930
  481    HA   GLN  59           HA       GLN  59   7.538 -14.122   0.938
  482   1HB   GLN  59          2HB       GLN  59  10.065 -13.741  -0.261
  483   2HB   GLN  59          1HB       GLN  59  10.256 -15.085   0.856
  484   1HG   GLN  59          2HG       GLN  59   8.250 -14.874  -1.377
  485   2HG   GLN  59          1HG       GLN  59   9.679 -15.905  -1.331
  486   1HE2  GLN  59          1HE2      GLN  59   9.735 -17.598   0.271
  487   2HE2  GLN  59          2HE2      GLN  59   8.258 -18.322   0.797
  488    H    GLN  60           H        GLN  60   8.609 -16.268   2.051
  489    HA   GLN  60           HA       GLN  60   8.267 -15.890   4.813
  490   1HB   GLN  60          2HB       GLN  60   8.856 -18.205   5.061
  491   2HB   GLN  60          1HB       GLN  60   7.916 -18.042   3.584
  492   1HG   GLN  60          2HG       GLN  60   9.628 -18.657   2.264
  493   2HG   GLN  60          1HG       GLN  60  10.831 -17.837   3.259
  494   1HE2  GLN  60          1HE2      GLN  60  10.588 -20.605   2.063
  495   2HE2  GLN  60          2HE2      GLN  60  10.922 -21.667   3.385
  496    H    TYR  61           H        TYR  61  11.084 -15.834   2.762
  497    HA   TYR  61           HA       TYR  61  12.833 -15.557   5.103
  498   1HB   TYR  61          2HB       TYR  61  14.655 -15.715   3.259
  499   2HB   TYR  61          1HB       TYR  61  13.792 -17.174   3.729
  500    HD1  TYR  61           1HD      TYR  61  13.540 -14.395   1.234
  501    HD2  TYR  61           2HD      TYR  61  12.966 -18.530   2.057
  502    HE1  TYR  61           1HE      TYR  61  12.903 -14.767  -1.112
  503    HE2  TYR  61           2HE      TYR  61  12.327 -18.914  -0.287
  504    HH   TYR  61           HH       TYR  61  12.917 -17.555  -2.603
  505    H    GLY  62           H        GLY  62  11.120 -13.666   3.000
  506   1HA   GLY  62          2HA       GLY  62  11.197 -11.272   3.270
  507   2HA   GLY  62          1HA       GLY  62  12.937 -11.395   3.476
  508    H    HIS  63           H        HIS  63  11.596  -9.635   1.683
  509    HA   HIS  63           HA       HIS  63  11.828  -8.824  -0.429
  510   1HB   HIS  63          2HB       HIS  63  13.905 -10.991  -0.451
  511   2HB   HIS  63          1HB       HIS  63  13.537 -10.095  -1.921
  512    HD2  HIS  63           2HD      HIS  63  13.783  -7.162  -1.436
  513    HE1  HIS  63           1HE      HIS  63  16.933  -7.890   1.294
  514    HE2  HIS  63           2HE      HIS  63  15.860  -6.176  -0.235
  515    H    GLN  64           H        GLN  64  10.625  -8.985  -2.250
  516    HA   GLN  64           HA       GLN  64  10.031 -11.471  -3.513
  517   1HB   GLN  64          2HB       GLN  64   8.209 -10.485  -1.455
  518   2HB   GLN  64          1HB       GLN  64   7.422 -10.769  -3.001
  519   1HG   GLN  64          2HG       GLN  64   8.850 -12.707  -1.233
  520   2HG   GLN  64          1HG       GLN  64   7.194 -12.767  -1.837
  521   1HE2  GLN  64          1HE2      GLN  64  10.491 -13.501  -2.465
  522   2HE2  GLN  64          2HE2      GLN  64  10.253 -14.329  -3.964
  523    H    GLU  65           H        GLU  65   8.495  -8.297  -2.989
  524    HA   GLU  65           HA       GLU  65   8.763  -7.713  -5.845
  525   1HB   GLU  65          2HB       GLU  65   6.465  -8.794  -4.989
  526   2HB   GLU  65          1HB       GLU  65   6.132  -7.114  -4.601
  527   1HG   GLU  65          2HG       GLU  65   5.317  -7.114  -6.705
  528   2HG   GLU  65          1HG       GLU  65   7.004  -6.791  -7.105
  529    H    VAL  66           H        VAL  66   8.863  -5.506  -6.333
  530    HA   VAL  66           HA       VAL  66   8.538  -3.639  -4.088
  531    HB   VAL  66           HB       VAL  66  10.909  -3.630  -5.957
  532   1HG1  VAL  66          1HG1      VAL  66  10.763  -1.412  -5.537
  533   2HG1  VAL  66          2HG1      VAL  66  11.524  -1.870  -4.013
  534   3HG1  VAL  66          3HG1      VAL  66   9.775  -1.640  -4.095
  535   1HG2  VAL  66          1HG2      VAL  66  11.829  -3.745  -3.360
  536   2HG2  VAL  66          2HG2      VAL  66  11.764  -5.090  -4.497
  537   3HG2  VAL  66          3HG2      VAL  66  10.447  -4.839  -3.351
  538    H    THR  67           H        THR  67   7.218  -2.030  -4.612
  539    HA   THR  67           HA       THR  67   7.267  -0.960  -7.342
  540    HB   THR  67           HB       THR  67   4.593  -0.746  -6.646
  541    HG1  THR  67           1HG      THR  67   5.454  -3.415  -6.133
  542   1HG2  THR  67          1HG2      THR  67   4.220  -1.897  -8.607
  543   2HG2  THR  67          2HG2      THR  67   5.517  -3.051  -8.302
  544   3HG2  THR  67          3HG2      THR  67   5.900  -1.413  -8.830
  545    H    ARG  68           H        ARG  68   7.565   1.180  -7.270
  546    HA   ARG  68           HA       ARG  68   6.748   2.623  -4.838
  547   1HB   ARG  68          2HB       ARG  68   8.496   4.170  -6.506
  548   2HB   ARG  68          1HB       ARG  68   8.750   3.606  -4.860
  549   1HG   ARG  68          2HG       ARG  68  10.454   2.469  -5.743
  550   2HG   ARG  68          1HG       ARG  68   9.223   1.336  -6.278
  551   1HD   ARG  68          2HD       ARG  68   9.977   3.699  -7.956
  552   2HD   ARG  68          1HD       ARG  68  10.938   2.223  -7.993
  553    HE   ARG  68           HE       ARG  68   8.731   1.111  -8.582
  554   1HH1  ARG  68          1HH1      ARG  68   9.508   4.399  -9.436
  555   2HH1  ARG  68          2HH1      ARG  68   8.473   4.417 -10.825
  556   1HH2  ARG  68          1HH2      ARG  68   7.369   1.126 -10.409
  557   2HH2  ARG  68          2HH2      ARG  68   7.258   2.558 -11.379
  558    H    PHE  69           H        PHE  69   5.075   3.952  -4.995
  559    HA   PHE  69           HA       PHE  69   4.626   5.531  -7.397
  560   1HB   PHE  69          2HB       PHE  69   2.634   3.496  -6.394
  561   2HB   PHE  69          1HB       PHE  69   2.196   4.826  -7.459
  562    HD1  PHE  69           1HD      PHE  69   3.273   4.954  -9.733
  563    HD2  PHE  69           2HD      PHE  69   3.560   1.522  -7.234
  564    HE1  PHE  69           1HE      PHE  69   3.883   3.589 -11.686
  565    HE2  PHE  69           2HE      PHE  69   4.170   0.150  -9.183
  566    HZ   PHE  69           HZ       PHE  69   4.334   1.183 -11.412
  567    H    ASP  70           H        ASP  70   3.879   7.514  -6.907
  568    HA   ASP  70           HA       ASP  70   3.115   8.062  -4.149
  569   1HB   ASP  70          2HB       ASP  70   3.291  10.459  -4.908
  570   2HB   ASP  70          1HB       ASP  70   4.785   9.539  -5.049
  571    H    PHE  71           H        PHE  71   1.114   8.782  -3.546
  572    HA   PHE  71           HA       PHE  71  -0.884   9.277  -5.625
  573   1HB   PHE  71          2HB       PHE  71  -2.451   7.720  -4.652
  574   2HB   PHE  71          1HB       PHE  71  -0.944   6.871  -5.002
  575    HD1  PHE  71           1HD      PHE  71   0.676   6.460  -3.088
  576    HD2  PHE  71           2HD      PHE  71  -3.347   7.735  -2.497
  577    HE1  PHE  71           1HE      PHE  71   0.772   5.681  -0.759
  578    HE2  PHE  71           2HE      PHE  71  -3.254   6.946  -0.167
  579    HZ   PHE  71           HZ       PHE  71  -1.192   5.920   0.704
  580    H    THR  72           H        THR  72  -2.904  10.207  -4.779
  581    HA   THR  72           HA       THR  72  -2.751  11.461  -2.143
  582    HB   THR  72           HB       THR  72  -2.223  13.502  -2.888
  583    HG1  THR  72           1HG      THR  72  -4.318  13.319  -4.803
  584   1HG2  THR  72          1HG2      THR  72  -2.153  12.080  -5.521
  585   2HG2  THR  72          2HG2      THR  72  -0.824  12.764  -4.587
  586   3HG2  THR  72          3HG2      THR  72  -1.931  13.828  -5.454
  587    H    THR  73           H        THR  73  -4.777  11.649  -1.192
  588    HA   THR  73           HA       THR  73  -7.215  12.227  -2.323
  589    HB   THR  73           HB       THR  73  -7.093  10.417  -3.853
  590    HG1  THR  73           1HG      THR  73  -8.557   9.075  -1.881
  591   1HG2  THR  73          1HG2      THR  73  -5.808   8.646  -3.439
  592   2HG2  THR  73          2HG2      THR  73  -6.813   8.185  -2.062
  593   3HG2  THR  73          3HG2      THR  73  -5.481   9.333  -1.840
  594    H    THR  74           H        THR  74  -7.111  12.965   0.018
  595    HA   THR  74           HA       THR  74  -8.688  11.202   1.628
  596    HB   THR  74           HB       THR  74  -7.246  10.376   3.114
  597    HG1  THR  74           1HG      THR  74  -5.737  11.728   4.218
  598   1HG2  THR  74          1HG2      THR  74  -5.273  11.471   1.130
  599   2HG2  THR  74          2HG2      THR  74  -5.806   9.805   1.356
  600   3HG2  THR  74          3HG2      THR  74  -4.750  10.561   2.548
  601    H    SER  75           H        SER  75  -8.470  12.344   4.096
  602    HA   SER  75           HA       SER  75  -8.967  14.161   5.375
  603   1HB   SER  75          2HB       SER  75  -7.340  15.287   3.451
  604   2HB   SER  75          1HB       SER  75  -8.814  16.246   3.324
  605    HG   SER  75           HG       SER  75  -7.398  17.110   4.882
  606    H    THR  76           H        THR  76 -11.075  13.137   5.258
  607    HA   THR  76           HA       THR  76 -13.019  14.652   3.650
  608    HB   THR  76           HB       THR  76 -14.005  12.231   4.984
  609    HG1  THR  76           1HG      THR  76 -11.798  11.653   4.349
  610   1HG2  THR  76          1HG2      THR  76 -14.212  13.578   2.333
  611   2HG2  THR  76          2HG2      THR  76 -15.487  13.043   3.427
  612   3HG2  THR  76          3HG2      THR  76 -14.619  11.865   2.443
  613    H    SER  77           H        SER  77 -15.251  13.650   5.259
  614    HA   SER  77           HA       SER  77 -14.835  14.774   7.905
  615   1HB   SER  77          2HB       SER  77 -17.206  15.963   6.696
  616   2HB   SER  77          1HB       SER  77 -15.912  16.731   7.621
  617    HG   SER  77           HG       SER  77 -14.807  17.109   5.803
  618    H    THR  78           H        THR  78 -15.335  12.256   7.847
  619    HA   THR  78           HA       THR  78 -17.943  11.979   8.919
  620    HB   THR  78           HB       THR  78 -18.151   9.977   7.009
  621    HG1  THR  78           1HG      THR  78 -16.894  10.781   5.456
  622   1HG2  THR  78          1HG2      THR  78 -20.041  11.134   7.870
  623   2HG2  THR  78          2HG2      THR  78 -20.009  11.437   6.133
  624   3HG2  THR  78          3HG2      THR  78 -19.454  12.683   7.254
  625    HA   PRO  79           HA       PRO  79 -16.539   8.682  11.457
  626   1HB   PRO  79          2HB       PRO  79 -18.493   7.262   9.668
  627   2HB   PRO  79          1HB       PRO  79 -18.196   6.987  11.391
  628   1HG   PRO  79          2HG       PRO  79 -20.210   8.524  10.633
  629   2HG   PRO  79          1HG       PRO  79 -19.194   9.009  12.005
  630   1HD   PRO  79          2HD       PRO  79 -19.371  10.175   9.311
  631   2HD   PRO  79          1HD       PRO  79 -18.739  10.890  10.805
  632    H    GLY  80           H        GLY  80 -14.945   7.168  11.388
  633   1HA   GLY  80          2HA       GLY  80 -14.409   5.694   8.933
  634   2HA   GLY  80          1HA       GLY  80 -13.151   6.805   9.453
  635    H    SER  81           H        SER  81 -14.536   3.715   9.854
  636    HA   SER  81           HA       SER  81 -12.366   2.865  11.520
  637   1HB   SER  81          2HB       SER  81 -13.705   2.085  13.416
  638   2HB   SER  81          1HB       SER  81 -13.867   3.831  13.228
  639    HG   SER  81           HG       SER  81 -15.797   3.057  11.839
  640    H    ARG  82           H        ARG  82 -13.074   0.470  12.373
  641    HA   ARG  82           HA       ARG  82 -14.257  -0.900  10.045
  642   1HB   ARG  82          2HB       ARG  82 -11.692  -1.397  11.478
  643   2HB   ARG  82          1HB       ARG  82 -12.586  -2.791  10.886
  644   1HG   ARG  82          2HG       ARG  82 -12.411  -2.084   8.647
  645   2HG   ARG  82          1HG       ARG  82 -11.884  -0.467   9.121
  646   1HD   ARG  82          2HD       ARG  82 -10.307  -2.955   9.731
  647   2HD   ARG  82          1HD       ARG  82 -10.082  -2.015   8.257
  648    HE   ARG  82           HE       ARG  82  -9.773  -0.129  10.100
  649   1HH1  ARG  82          1HH1      ARG  82  -8.481  -3.363   9.953
  650   2HH1  ARG  82          2HH1      ARG  82  -7.046  -2.967  10.838
  651   1HH2  ARG  82          1HH2      ARG  82  -7.888   0.399  11.265
  652   2HH2  ARG  82          2HH2      ARG  82  -6.710  -0.830  11.586
  653    H    SER  83           H        SER  83 -14.547  -3.378  10.773
  654    HA   SER  83           HA       SER  83 -15.452  -3.676  13.493
  655   1HB   SER  83          2HB       SER  83 -17.297  -2.627  11.735
  656   2HB   SER  83          1HB       SER  83 -17.654  -4.353  11.684
  657    HG   SER  83           HG       SER  83 -17.570  -2.676  13.969
  658    H    HIS  84           H        HIS  84 -15.289  -5.736  14.127
  659    HA   HIS  84           HA       HIS  84 -15.724  -7.964  12.402
  660   1HB   HIS  84          2HB       HIS  84 -13.401  -8.861  12.511
  661   2HB   HIS  84          1HB       HIS  84 -13.535  -7.399  11.541
  662    HD2  HIS  84           2HD      HIS  84 -11.662  -8.748  14.587
  663    HE1  HIS  84           1HE      HIS  84 -10.779  -4.624  14.239
  664    HE2  HIS  84           2HE      HIS  84 -10.064  -6.824  15.276
  665    H    HIS  85           H        HIS  85 -16.460  -6.870  15.036
  666    HA   HIS  85           HA       HIS  85 -17.006  -7.639  17.101
  667   1HB   HIS  85          2HB       HIS  85 -16.171 -10.237  15.822
  668   2HB   HIS  85          1HB       HIS  85 -16.737 -10.155  17.486
  669    HD2  HIS  85           2HD      HIS  85 -19.360 -10.583  17.690
  670    HE1  HIS  85           1HE      HIS  85 -20.437  -9.337  13.792
  671    HE2  HIS  85           2HE      HIS  85 -21.250 -10.455  15.917
  672    H    HIS  86           H        HIS  86 -16.096  -8.359  19.151
  673    HA   HIS  86           HA       HIS  86 -13.240  -7.775  19.260
  674   1HB   HIS  86          2HB       HIS  86 -15.300  -6.910  20.810
  675   2HB   HIS  86          1HB       HIS  86 -14.704  -8.253  21.779
  676    HD2  HIS  86           2HD      HIS  86 -12.861  -7.447  23.522
  677    HE1  HIS  86           1HE      HIS  86 -11.337  -4.198  21.280
  678    HE2  HIS  86           2HE      HIS  86 -11.056  -5.591  23.379
  679    H    HIS  87           H        HIS  87 -12.722  -9.884  18.301
  680    HA   HIS  87           HA       HIS  87 -12.533 -11.946  20.387
  681   1HB   HIS  87          2HB       HIS  87 -13.431 -12.301  17.532
  682   2HB   HIS  87          1HB       HIS  87 -12.775 -13.639  18.470
  683    HD2  HIS  87           2HD      HIS  87 -14.312 -14.037  20.973
  684    HE1  HIS  87           1HE      HIS  87 -17.831 -12.696  19.044
  685    HE2  HIS  87           2HE      HIS  87 -16.882 -13.733  21.153
  686    H    HIS  88           H        HIS  88 -10.398 -11.733  20.841
  687    HA   HIS  88           HA       HIS  88  -8.445 -11.397  18.736
  688   1HB   HIS  88          2HB       HIS  88  -8.520 -11.074  21.615
  689   2HB   HIS  88          1HB       HIS  88  -7.089 -11.968  21.114
  690    HD2  HIS  88           2HD      HIS  88  -5.157 -10.519  19.813
  691    HE1  HIS  88           1HE      HIS  88  -7.223  -6.828  19.977
  692    HE2  HIS  88           2HE      HIS  88  -4.982  -7.942  19.568
  693    H    HIS  89           H        HIS  89 -10.126 -13.990  19.710
  694    HA   HIS  89           HA       HIS  89  -8.033 -15.936  19.973
  695   1HB   HIS  89          2HB       HIS  89 -10.661 -15.920  20.662
  696   2HB   HIS  89          1HB       HIS  89 -10.722 -16.865  19.178
  697    HD2  HIS  89           2HD      HIS  89 -11.032 -19.344  20.222
  698    HE1  HIS  89           1HE      HIS  89  -7.652 -19.227  22.766
  699    HE2  HIS  89           2HE      HIS  89  -9.607 -20.630  21.966
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1 -11.321 -32.147 -18.217
    2   2H    MET   1          2HT       MET   1 -11.635 -32.585 -16.613
    3   3H    MET   1          3HT       MET   1 -10.364 -31.527 -16.967
    4    HA   MET   1           HA       MET   1 -12.117 -30.002 -17.951
    5   1HB   MET   1          2HB       MET   1 -13.692 -32.194 -17.451
    6   2HB   MET   1          1HB       MET   1 -14.063 -31.162 -16.077
    7   1HG   MET   1          2HG       MET   1 -15.651 -30.673 -17.746
    8   2HG   MET   1          1HG       MET   1 -14.525 -29.319 -17.712
    9   1HE   MET   1          1HE       MET   1 -16.545 -31.391 -20.024
   10   2HE   MET   1          2HE       MET   1 -15.457 -32.661 -19.465
   11   3HE   MET   1          3HE       MET   1 -15.415 -32.143 -21.150
   12    H    ARG   2           H        ARG   2 -10.002 -30.031 -16.117
   13    HA   ARG   2           HA       ARG   2 -11.116 -28.961 -13.632
   14   1HB   ARG   2          2HB       ARG   2  -9.112 -30.663 -13.876
   15   2HB   ARG   2          1HB       ARG   2  -8.178 -29.193 -14.122
   16   1HG   ARG   2          2HG       ARG   2  -8.392 -28.528 -11.970
   17   2HG   ARG   2          1HG       ARG   2  -9.996 -29.240 -11.793
   18   1HD   ARG   2          2HD       ARG   2  -7.911 -30.270 -10.566
   19   2HD   ARG   2          1HD       ARG   2  -9.173 -31.302 -11.239
   20    HE   ARG   2           HE       ARG   2  -6.548 -30.802 -12.480
   21   1HH1  ARG   2          1HH1      ARG   2  -9.420 -32.734 -12.079
   22   2HH1  ARG   2          2HH1      ARG   2  -8.823 -34.052 -13.031
   23   1HH2  ARG   2          1HH2      ARG   2  -5.755 -32.532 -13.739
   24   2HH2  ARG   2          2HH2      ARG   2  -6.741 -33.937 -13.975
   25    H    GLY   3           H        GLY   3 -11.483 -26.853 -13.511
   26   1HA   GLY   3          2HA       GLY   3  -9.882 -25.045 -15.199
   27   2HA   GLY   3          1HA       GLY   3 -11.486 -24.691 -14.575
   28    H    SER   4           H        SER   4 -10.819 -25.712 -11.899
   29    HA   SER   4           HA       SER   4  -9.493 -23.305 -10.929
   30   1HB   SER   4          2HB       SER   4 -10.304 -25.009  -8.789
   31   2HB   SER   4          1HB       SER   4 -10.998 -23.463  -9.277
   32    HG   SER   4           HG       SER   4 -12.310 -25.571  -9.314
   33    H    ASN   5           H        ASN   5  -7.321 -23.636 -11.261
   34    HA   ASN   5           HA       ASN   5  -6.050 -26.088 -10.414
   35   1HB   ASN   5          2HB       ASN   5  -4.962 -23.506 -11.545
   36   2HB   ASN   5          1HB       ASN   5  -3.943 -24.867 -11.091
   37   1HD2  ASN   5          1HD2      ASN   5  -3.861 -26.654 -12.376
   38   2HD2  ASN   5          2HD2      ASN   5  -4.613 -26.744 -13.928
   39    H    ALA   6           H        ALA   6  -5.953 -22.671  -9.411
   40    HA   ALA   6           HA       ALA   6  -5.187 -23.566  -6.725
   41   1HB   ALA   6          1HB       ALA   6  -3.120 -22.786  -6.963
   42   2HB   ALA   6          2HB       ALA   6  -3.806 -21.166  -7.098
   43   3HB   ALA   6          3HB       ALA   6  -3.498 -22.118  -8.550
   44    HA   PRO   7           HA       PRO   7  -8.552 -20.373  -6.629
   45   1HB   PRO   7          2HB       PRO   7 -10.073 -22.195  -4.989
   46   2HB   PRO   7          1HB       PRO   7 -10.453 -21.597  -6.604
   47   1HG   PRO   7          2HG       PRO   7  -9.811 -24.203  -6.045
   48   2HG   PRO   7          1HG       PRO   7  -9.575 -23.438  -7.627
   49   1HD   PRO   7          2HD       PRO   7  -7.583 -23.964  -5.458
   50   2HD   PRO   7          1HD       PRO   7  -7.397 -24.104  -7.219
   51    H    GLN   8           H        GLN   8  -7.058 -22.389  -4.197
   52    HA   GLN   8           HA       GLN   8  -7.947 -21.114  -1.877
   53   1HB   GLN   8          2HB       GLN   8  -5.407 -22.598  -2.525
   54   2HB   GLN   8          1HB       GLN   8  -5.722 -21.951  -0.921
   55   1HG   GLN   8          2HG       GLN   8  -7.480 -23.411  -0.536
   56   2HG   GLN   8          1HG       GLN   8  -7.706 -23.746  -2.253
   57   1HE2  GLN   8          1HE2      GLN   8  -6.215 -24.710   0.632
   58   2HE2  GLN   8          2HE2      GLN   8  -5.268 -26.008  -0.005
   59    HA   PRO   9           HA       PRO   9  -5.886 -17.191  -2.245
   60   1HB   PRO   9          2HB       PRO   9  -6.445 -16.212   0.200
   61   2HB   PRO   9          1HB       PRO   9  -7.682 -16.373  -1.052
   62   1HG   PRO   9          2HG       PRO   9  -7.103 -18.154   1.283
   63   2HG   PRO   9          1HG       PRO   9  -8.669 -17.612   0.650
   64   1HD   PRO   9          2HD       PRO   9  -7.591 -20.066   0.118
   65   2HD   PRO   9          1HD       PRO   9  -8.706 -19.227  -0.977
   66    H    SER  10           H        SER  10  -3.721 -17.907  -2.377
   67    HA   SER  10           HA       SER  10  -2.287 -18.516   0.075
   68   1HB   SER  10          2HB       SER  10  -0.454 -18.242  -2.048
   69   2HB   SER  10          1HB       SER  10  -1.073 -19.742  -1.357
   70    HG   SER  10           HG       SER  10  -2.027 -18.303  -3.594
   71    H    HIS  11           H        HIS  11  -1.747 -16.235  -2.611
   72    HA   HIS  11           HA       HIS  11  -0.834 -14.157  -2.696
   73   1HB   HIS  11          2HB       HIS  11  -2.779 -14.145  -0.658
   74   2HB   HIS  11          1HB       HIS  11  -1.409 -13.234  -0.031
   75    HD2  HIS  11           2HD      HIS  11  -0.521 -11.219  -2.066
   76    HE1  HIS  11           1HE      HIS  11  -4.555 -10.663  -3.215
   77    HE2  HIS  11           2HE      HIS  11  -2.184  -9.797  -3.458
   78    H    ILE  12           H        ILE  12   0.348 -12.498  -0.884
   79    HA   ILE  12           HA       ILE  12   2.884 -13.825  -0.454
   80    HB   ILE  12           HB       ILE  12   2.887 -11.590  -1.414
   81   1HG1  ILE  12          2HG1      ILE  12   4.188 -10.444   0.656
   82   2HG1  ILE  12          1HG1      ILE  12   4.151 -12.111   1.220
   83   1HG2  ILE  12          1HG2      ILE  12   1.015 -11.076   0.740
   84   2HG2  ILE  12          2HG2      ILE  12   1.278 -10.192  -0.764
   85   3HG2  ILE  12          3HG2      ILE  12   2.280  -9.850   0.648
   86   1HD1  ILE  12          1HD1      ILE  12   6.162 -11.283  -0.161
   87   2HD1  ILE  12          2HD1      ILE  12   5.084 -11.485  -1.543
   88   3HD1  ILE  12          3HD1      ILE  12   5.468 -12.866  -0.514
   89    H    SER  13           H        SER  13   4.021 -13.827   1.554
   90    HA   SER  13           HA       SER  13   2.541 -14.627   3.782
   91   1HB   SER  13          2HB       SER  13   5.145 -14.790   3.167
   92   2HB   SER  13          1HB       SER  13   5.216 -13.390   4.237
   93    HG   SER  13           HG       SER  13   5.292 -15.778   5.046
   94    H    LYS  14           H        LYS  14   4.017 -11.506   2.980
   95    HA   LYS  14           HA       LYS  14   1.993 -10.077   4.407
   96   1HB   LYS  14          2HB       LYS  14   3.402  -9.000   6.065
   97   2HB   LYS  14          1HB       LYS  14   3.442 -10.742   6.292
   98   1HG   LYS  14          2HG       LYS  14   5.583 -10.491   4.729
   99   2HG   LYS  14          1HG       LYS  14   5.584  -8.884   5.460
  100   1HD   LYS  14          2HD       LYS  14   5.091 -10.730   7.537
  101   2HD   LYS  14          1HD       LYS  14   6.429 -11.375   6.584
  102   1HE   LYS  14          2HE       LYS  14   6.970  -8.655   6.830
  103   2HE   LYS  14          1HE       LYS  14   6.373  -9.139   8.417
  104   1HZ   LYS  14          1HZ       LYS  14   8.138 -11.111   7.571
  105   2HZ   LYS  14          2HZ       LYS  14   8.359  -9.995   8.821
  106   3HZ   LYS  14          3HZ       LYS  14   8.893  -9.630   7.258
  107    H    TYR  15           H        TYR  15   1.896  -7.928   3.813
  108    HA   TYR  15           HA       TYR  15   3.740  -7.127   1.670
  109   1HB   TYR  15          2HB       TYR  15   0.904  -6.996   1.950
  110   2HB   TYR  15          1HB       TYR  15   1.516  -5.348   1.886
  111    HD1  TYR  15           1HD      TYR  15   0.413  -8.058  -0.028
  112    HD2  TYR  15           2HD      TYR  15   3.281  -4.917  -0.047
  113    HE1  TYR  15           1HE      TYR  15   0.571  -8.228  -2.475
  114    HE2  TYR  15           2HE      TYR  15   3.448  -5.075  -2.497
  115    HH   TYR  15           HH       TYR  15   1.611  -7.518  -4.307
  116    H    ILE  16           H        ILE  16   4.437  -4.886   1.582
  117    HA   ILE  16           HA       ILE  16   4.494  -3.618   4.239
  118    HB   ILE  16           HB       ILE  16   6.729  -4.460   2.726
  119   1HG1  ILE  16          2HG1      ILE  16   6.524  -4.357   5.186
  120   2HG1  ILE  16          1HG1      ILE  16   7.981  -3.548   4.619
  121   1HG2  ILE  16          1HG2      ILE  16   7.930  -2.176   2.651
  122   2HG2  ILE  16          2HG2      ILE  16   6.312  -1.466   2.646
  123   3HG2  ILE  16          3HG2      ILE  16   6.806  -2.552   1.347
  124   1HD1  ILE  16          1HD1      ILE  16   6.683  -1.385   4.771
  125   2HD1  ILE  16          2HD1      ILE  16   7.073  -2.176   6.300
  126   3HD1  ILE  16          3HD1      ILE  16   5.445  -2.302   5.632
  127    H    LEU  17           H        LEU  17   4.433  -1.417   4.349
  128    HA   LEU  17           HA       LEU  17   3.959   0.009   1.849
  129   1HB   LEU  17          2HB       LEU  17   1.942  -0.583   3.680
  130   2HB   LEU  17          1HB       LEU  17   2.375   1.082   4.025
  131    HG   LEU  17           HG       LEU  17   2.128   0.701   1.180
  132   1HD1  LEU  17          1HD1      LEU  17  -0.138  -0.261   2.898
  133   2HD1  LEU  17          2HD1      LEU  17   0.590  -1.038   1.493
  134   3HD1  LEU  17          3HD1      LEU  17  -0.405   0.403   1.286
  135   1HD2  LEU  17          1HD2      LEU  17   1.832   2.721   2.944
  136   2HD2  LEU  17          2HD2      LEU  17   0.144   2.297   2.663
  137   3HD2  LEU  17          3HD2      LEU  17   1.179   2.740   1.306
  138    H    ARG  18           H        ARG  18   5.602   1.316   1.750
  139    HA   ARG  18           HA       ARG  18   6.398   2.788   4.166
  140   1HB   ARG  18          2HB       ARG  18   8.130   2.027   1.796
  141   2HB   ARG  18          1HB       ARG  18   8.656   2.959   3.192
  142   1HG   ARG  18          2HG       ARG  18   8.895   1.136   4.486
  143   2HG   ARG  18          1HG       ARG  18   7.488   0.327   3.793
  144   1HD   ARG  18          2HD       ARG  18   8.694  -0.650   2.130
  145   2HD   ARG  18          1HD       ARG  18   9.849   0.679   2.039
  146    HE   ARG  18           HE       ARG  18   9.917  -1.133   4.342
  147   1HH1  ARG  18          1HH1      ARG  18  11.401   0.140   1.458
  148   2HH1  ARG  18          2HH1      ARG  18  12.955  -0.541   1.802
  149   1HH2  ARG  18          1HH2      ARG  18  11.959  -2.037   4.799
  150   2HH2  ARG  18          2HH2      ARG  18  13.271  -1.778   3.699
  151    H    TRP  19           H        TRP  19   6.109   4.977   3.999
  152    HA   TRP  19           HA       TRP  19   6.283   6.169   1.388
  153   1HB   TRP  19          2HB       TRP  19   4.073   6.574   0.918
  154   2HB   TRP  19          1HB       TRP  19   4.004   4.975   1.641
  155    HD1  TRP  19           HD       TRP  19   2.832   8.495   2.078
  156    HE1  TRP  19           1HE      TRP  19   1.197   8.623   4.072
  157    HE3  TRP  19           3HE      TRP  19   3.555   3.829   3.997
  158    HZ2  TRP  19           2HZ      TRP  19   0.331   6.946   6.175
  159    HZ3  TRP  19           3HZ      TRP  19   2.286   3.158   5.996
  160    HH2  TRP  19           HH       TRP  19   0.708   4.687   7.061
  161    H    ARG  20           H        ARG  20   6.082   8.327   1.237
  162    HA   ARG  20           HA       ARG  20   5.767  10.023   3.556
  163   1HB   ARG  20          2HB       ARG  20   8.074  11.105   2.571
  164   2HB   ARG  20          1HB       ARG  20   8.000  10.058   3.972
  165   1HG   ARG  20          2HG       ARG  20   9.781   9.466   2.375
  166   2HG   ARG  20          1HG       ARG  20   8.638   8.158   2.683
  167   1HD   ARG  20          2HD       ARG  20   8.343   7.981   0.501
  168   2HD   ARG  20          1HD       ARG  20   7.590   9.575   0.525
  169    HE   ARG  20           HE       ARG  20  10.186   8.911  -0.491
  170   1HH1  ARG  20          1HH1      ARG  20   8.251  11.459   0.890
  171   2HH1  ARG  20          2HH1      ARG  20   9.196  12.729   0.189
  172   1HH2  ARG  20          1HH2      ARG  20  11.433  10.577  -1.416
  173   2HH2  ARG  20          2HH2      ARG  20  11.003  12.229  -1.120
  174    HA   PRO  21           HA       PRO  21   4.123  12.818   0.574
  175   1HB   PRO  21          2HB       PRO  21   6.032  14.918   1.321
  176   2HB   PRO  21          1HB       PRO  21   4.274  14.953   1.319
  177   1HG   PRO  21          2HG       PRO  21   5.629  14.807   3.607
  178   2HG   PRO  21          1HG       PRO  21   4.107  13.932   3.366
  179   1HD   PRO  21          2HD       PRO  21   6.909  12.900   3.338
  180   2HD   PRO  21          1HD       PRO  21   5.431  12.138   3.964
  181    H    LYS  22           H        LYS  22   4.548  12.228  -1.434
  182    HA   LYS  22           HA       LYS  22   6.674  11.623  -2.865
  183   1HB   LYS  22          2HB       LYS  22   4.500  11.674  -3.831
  184   2HB   LYS  22          1HB       LYS  22   4.429  13.427  -3.729
  185   1HG   LYS  22          2HG       LYS  22   4.894  12.414  -6.000
  186   2HG   LYS  22          1HG       LYS  22   5.974  13.703  -5.473
  187   1HD   LYS  22          2HD       LYS  22   7.418  11.700  -4.584
  188   2HD   LYS  22          1HD       LYS  22   6.489  10.771  -5.761
  189   1HE   LYS  22          2HE       LYS  22   7.424  11.840  -7.551
  190   2HE   LYS  22          1HE       LYS  22   7.701  13.332  -6.654
  191   1HZ   LYS  22          1HZ       LYS  22   9.246  10.830  -6.237
  192   2HZ   LYS  22          2HZ       LYS  22   9.566  12.348  -5.562
  193   3HZ   LYS  22          3HZ       LYS  22   9.755  12.107  -7.225
  194    H    ASN  23           H        ASN  23   5.717  15.025  -2.328
  195    HA   ASN  23           HA       ASN  23   8.222  15.916  -3.543
  196   1HB   ASN  23          2HB       ASN  23   5.593  16.959  -3.455
  197   2HB   ASN  23          1HB       ASN  23   6.619  18.089  -2.576
  198   1HD2  ASN  23          1HD2      ASN  23   7.061  19.705  -3.887
  199   2HD2  ASN  23          2HD2      ASN  23   7.602  19.568  -5.522
  200    H    SER  24           H        SER  24   6.453  16.204  -0.474
  201    HA   SER  24           HA       SER  24   8.593  17.677   0.768
  202   1HB   SER  24          2HB       SER  24   5.861  17.109   1.367
  203   2HB   SER  24          1HB       SER  24   6.844  16.575   2.731
  204    HG   SER  24           HG       SER  24   6.115  19.022   2.182
  205    H    VAL  25           H        VAL  25  10.341  16.227   0.413
  206    HA   VAL  25           HA       VAL  25  10.382  13.575   1.408
  207    HB   VAL  25           HB       VAL  25  11.931  14.405  -0.334
  208   1HG1  VAL  25          1HG1      VAL  25  12.754  16.459   0.119
  209   2HG1  VAL  25          2HG1      VAL  25  14.051  15.531   0.874
  210   3HG1  VAL  25          3HG1      VAL  25  12.750  16.194   1.863
  211   1HG2  VAL  25          1HG2      VAL  25  12.538  12.720   1.878
  212   2HG2  VAL  25          2HG2      VAL  25  14.005  13.575   1.402
  213   3HG2  VAL  25          3HG2      VAL  25  13.120  12.615   0.216
  214    H    GLY  26           H        GLY  26  11.268  12.726   3.286
  215   1HA   GLY  26          2HA       GLY  26  12.585  14.264   5.267
  216   2HA   GLY  26          1HA       GLY  26  10.878  14.122   5.661
  217    H    ARG  27           H        ARG  27  10.010  12.081   6.164
  218    HA   ARG  27           HA       ARG  27  11.960   9.919   6.550
  219   1HB   ARG  27          2HB       ARG  27  10.227  11.226   8.602
  220   2HB   ARG  27          1HB       ARG  27  10.539   9.501   8.738
  221   1HG   ARG  27          2HG       ARG  27  12.523   9.888   9.631
  222   2HG   ARG  27          1HG       ARG  27  12.998  10.870   8.243
  223   1HD   ARG  27          2HD       ARG  27  11.282  11.937  10.470
  224   2HD   ARG  27          1HD       ARG  27  13.043  12.000  10.521
  225    HE   ARG  27           HE       ARG  27  12.290  13.108   8.102
  226   1HH1  ARG  27          1HH1      ARG  27  11.805  13.770  11.489
  227   2HH1  ARG  27          2HH1      ARG  27  11.655  15.481  11.265
  228   1HH2  ARG  27          1HH2      ARG  27  12.096  15.361   7.799
  229   2HH2  ARG  27          2HH2      ARG  27  11.822  16.385   9.169
  230    H    TRP  28           H        TRP  28  11.272   8.058   5.730
  231    HA   TRP  28           HA       TRP  28   8.749   7.770   4.505
  232   1HB   TRP  28          2HB       TRP  28  10.922   5.803   5.214
  233   2HB   TRP  28          1HB       TRP  28   9.429   5.292   4.434
  234    HD1  TRP  28           HD       TRP  28  12.552   7.438   3.771
  235    HE1  TRP  28           1HE      TRP  28  12.843   7.673   1.227
  236    HE3  TRP  28           3HE      TRP  28   8.225   5.185   2.240
  237    HZ2  TRP  28           2HZ      TRP  28  11.433   6.990  -1.121
  238    HZ3  TRP  28           3HZ      TRP  28   7.767   5.026  -0.174
  239    HH2  TRP  28           HH       TRP  28   9.341   5.906  -1.816
  240    H    LYS  29           H        LYS  29   7.338   5.790   4.997
  241    HA   LYS  29           HA       LYS  29   6.890   5.605   7.912
  242   1HB   LYS  29          2HB       LYS  29   4.981   6.114   5.678
  243   2HB   LYS  29          1HB       LYS  29   4.427   5.103   7.005
  244   1HG   LYS  29          2HG       LYS  29   5.443   7.122   8.421
  245   2HG   LYS  29          1HG       LYS  29   5.029   7.993   6.944
  246   1HD   LYS  29          2HD       LYS  29   2.816   7.807   7.306
  247   2HD   LYS  29          1HD       LYS  29   2.955   6.155   7.906
  248   1HE   LYS  29          2HE       LYS  29   3.834   7.065  10.042
  249   2HE   LYS  29          1HE       LYS  29   3.524   8.691   9.432
  250   1HZ   LYS  29          1HZ       LYS  29   1.246   6.960   9.225
  251   2HZ   LYS  29          2HZ       LYS  29   1.365   8.511   9.888
  252   3HZ   LYS  29          3HZ       LYS  29   1.767   7.159  10.821
  253    H    GLU  30           H        GLU  30   5.736   3.535   8.543
  254    HA   GLU  30           HA       GLU  30   6.300   1.368   6.635
  255   1HB   GLU  30          2HB       GLU  30   6.984   1.212   9.570
  256   2HB   GLU  30          1HB       GLU  30   7.327   0.009   8.335
  257   1HG   GLU  30          2HG       GLU  30   8.594   2.127   7.277
  258   2HG   GLU  30          1HG       GLU  30   8.736   2.507   8.993
  259    H    ALA  31           H        ALA  31   4.637   0.084   6.334
  260    HA   ALA  31           HA       ALA  31   2.815  -0.525   8.536
  261   1HB   ALA  31          1HB       ALA  31   1.100  -0.245   6.370
  262   2HB   ALA  31          2HB       ALA  31   2.151   1.168   6.283
  263   3HB   ALA  31          3HB       ALA  31   1.236   0.839   7.754
  264    H    THR  32           H        THR  32   2.933  -2.695   8.657
  265    HA   THR  32           HA       THR  32   3.261  -4.229   6.181
  266    HB   THR  32           HB       THR  32   3.312  -5.568   8.844
  267    HG1  THR  32           1HG      THR  32   5.261  -4.753   9.358
  268   1HG2  THR  32          1HG2      THR  32   3.666  -6.545   6.413
  269   2HG2  THR  32          2HG2      THR  32   4.622  -7.129   7.777
  270   3HG2  THR  32          3HG2      THR  32   5.307  -5.949   6.660
  271    H    ILE  33           H        ILE  33   1.547  -5.074   5.257
  272    HA   ILE  33           HA       ILE  33  -0.656  -6.064   6.933
  273    HB   ILE  33           HB       ILE  33  -1.453  -5.001   4.304
  274   1HG1  ILE  33          2HG1      ILE  33  -1.524  -2.772   6.079
  275   2HG1  ILE  33          1HG1      ILE  33   0.135  -3.359   6.015
  276   1HG2  ILE  33          1HG2      ILE  33  -2.586  -5.559   6.895
  277   2HG2  ILE  33          2HG2      ILE  33  -3.383  -5.368   5.333
  278   3HG2  ILE  33          3HG2      ILE  33  -3.043  -3.951   6.329
  279   1HD1  ILE  33          1HD1      ILE  33  -0.503  -1.577   4.353
  280   2HD1  ILE  33          2HD1      ILE  33  -1.475  -2.807   3.547
  281   3HD1  ILE  33          3HD1      ILE  33   0.269  -3.019   3.695
  282    HA   PRO  34           HA       PRO  34   0.548  -9.790   4.685
  283   1HB   PRO  34          2HB       PRO  34  -2.162 -10.527   5.707
  284   2HB   PRO  34          1HB       PRO  34  -0.659 -11.457   5.727
  285   1HG   PRO  34          2HG       PRO  34  -1.522 -10.246   7.933
  286   2HG   PRO  34          1HG       PRO  34   0.204 -10.279   7.530
  287   1HD   PRO  34          2HD       PRO  34  -1.742  -8.035   7.346
  288   2HD   PRO  34          1HD       PRO  34  -0.001  -7.998   7.691
  289    H    GLY  35           H        GLY  35  -0.263 -11.023   2.905
  290   1HA   GLY  35          2HA       GLY  35  -1.335  -9.536   0.836
  291   2HA   GLY  35          1HA       GLY  35  -1.280 -11.289   0.873
  292    H    HIS  36           H        HIS  36  -3.233  -8.538   0.939
  293    HA   HIS  36           HA       HIS  36  -5.464  -8.149   1.232
  294   1HB   HIS  36          2HB       HIS  36  -5.056  -9.880  -0.806
  295   2HB   HIS  36          1HB       HIS  36  -6.167 -10.820   0.184
  296    HD2  HIS  36           2HD      HIS  36  -7.969  -8.116   1.096
  297    HE1  HIS  36           1HE      HIS  36  -8.758  -8.043  -3.060
  298    HE2  HIS  36           2HE      HIS  36  -9.600  -7.354  -0.770
  299    H    LEU  37           H        LEU  37  -4.347  -9.196   3.610
  300    HA   LEU  37           HA       LEU  37  -6.004 -11.291   4.623
  301   1HB   LEU  37          2HB       LEU  37  -4.915 -10.996   6.695
  302   2HB   LEU  37          1HB       LEU  37  -3.702 -10.739   5.462
  303    HG   LEU  37           HG       LEU  37  -3.220  -9.087   7.009
  304   1HD1  LEU  37          1HD1      LEU  37  -4.278  -6.911   6.059
  305   2HD1  LEU  37          2HD1      LEU  37  -4.917  -7.990   4.820
  306   3HD1  LEU  37          3HD1      LEU  37  -3.175  -7.868   5.070
  307   1HD2  LEU  37          1HD2      LEU  37  -5.571  -7.647   7.534
  308   2HD2  LEU  37          2HD2      LEU  37  -4.645  -8.658   8.643
  309   3HD2  LEU  37          3HD2      LEU  37  -5.976  -9.354   7.720
  310    H    ASN  38           H        ASN  38  -6.437  -7.970   4.132
  311    HA   ASN  38           HA       ASN  38  -9.108  -7.995   5.036
  312   1HB   ASN  38          2HB       ASN  38  -9.078  -6.855   7.039
  313   2HB   ASN  38          1HB       ASN  38  -7.600  -7.797   7.198
  314   1HD2  ASN  38          1HD2      ASN  38  -8.969  -4.715   7.169
  315   2HD2  ASN  38          2HD2      ASN  38  -7.507  -3.795   7.226
  316    H    SER  39           H        SER  39 -10.049  -5.702   4.995
  317    HA   SER  39           HA       SER  39  -9.056  -4.417   2.603
  318   1HB   SER  39          2HB       SER  39 -11.496  -3.970   4.324
  319   2HB   SER  39          1HB       SER  39 -11.100  -2.939   2.950
  320    HG   SER  39           HG       SER  39 -12.091  -4.396   1.818
  321    H    TYR  40           H        TYR  40  -7.356  -3.113   2.849
  322    HA   TYR  40           HA       TYR  40  -7.424  -1.148   5.043
  323   1HB   TYR  40          2HB       TYR  40  -5.581  -2.692   5.354
  324   2HB   TYR  40          1HB       TYR  40  -5.035  -2.433   3.701
  325    HD1  TYR  40           1HD      TYR  40  -5.356  -0.869   7.030
  326    HD2  TYR  40           2HD      TYR  40  -3.660  -0.567   3.141
  327    HE1  TYR  40           1HE      TYR  40  -3.904   0.954   7.813
  328    HE2  TYR  40           2HE      TYR  40  -2.202   1.258   3.913
  329    HH   TYR  40           HH       TYR  40  -2.607   2.744   7.021
  330    H    THR  41           H        THR  41  -7.749   0.866   4.403
  331    HA   THR  41           HA       THR  41  -6.935   1.639   1.676
  332    HB   THR  41           HB       THR  41  -9.161   2.879   3.301
  333    HG1  THR  41           1HG      THR  41  -9.141   0.773   1.419
  334   1HG2  THR  41          1HG2      THR  41  -9.521   3.284   0.548
  335   2HG2  THR  41          2HG2      THR  41  -7.818   3.620   0.866
  336   3HG2  THR  41          3HG2      THR  41  -9.069   4.486   1.758
  337    H    ILE  42           H        ILE  42  -5.954   3.642   1.362
  338    HA   ILE  42           HA       ILE  42  -4.690   4.748   3.754
  339    HB   ILE  42           HB       ILE  42  -4.087   5.360   0.859
  340   1HG1  ILE  42          2HG1      ILE  42  -2.008   3.903   2.168
  341   2HG1  ILE  42          1HG1      ILE  42  -3.519   3.025   2.390
  342   1HG2  ILE  42          1HG2      ILE  42  -3.309   6.630   3.258
  343   2HG2  ILE  42          2HG2      ILE  42  -2.736   6.944   1.620
  344   3HG2  ILE  42          3HG2      ILE  42  -1.899   5.772   2.638
  345   1HD1  ILE  42          1HD1      ILE  42  -1.864   3.277   0.049
  346   2HD1  ILE  42          2HD1      ILE  42  -3.523   3.769  -0.285
  347   3HD1  ILE  42          3HD1      ILE  42  -3.195   2.167   0.375
  348    H    LYS  43           H        LYS  43  -5.530   6.464   4.695
  349    HA   LYS  43           HA       LYS  43  -6.719   8.571   3.032
  350   1HB   LYS  43          2HB       LYS  43  -7.914   7.998   5.713
  351   2HB   LYS  43          1HB       LYS  43  -8.645   8.752   4.304
  352   1HG   LYS  43          2HG       LYS  43  -8.020   6.111   3.565
  353   2HG   LYS  43          1HG       LYS  43  -8.768   6.034   5.162
  354   1HD   LYS  43          2HD       LYS  43  -9.997   7.746   3.045
  355   2HD   LYS  43          1HD       LYS  43 -10.247   5.999   3.001
  356   1HE   LYS  43          2HE       LYS  43 -10.745   7.605   5.488
  357   2HE   LYS  43          1HE       LYS  43 -11.977   7.428   4.239
  358   1HZ   LYS  43          1HZ       LYS  43 -10.729   4.961   5.111
  359   2HZ   LYS  43          2HZ       LYS  43 -12.356   5.301   4.794
  360   3HZ   LYS  43          3HZ       LYS  43 -11.674   5.740   6.279
  361    H    GLY  44           H        GLY  44  -4.292   9.060   3.554
  362   1HA   GLY  44          2HA       GLY  44  -4.220  10.626   6.059
  363   2HA   GLY  44          1HA       GLY  44  -2.812   9.821   5.385
  364    H    LEU  45           H        LEU  45  -3.956  10.745   2.646
  365    HA   LEU  45           HA       LEU  45  -2.540  13.293   2.705
  366   1HB   LEU  45          2HB       LEU  45  -3.482  12.681   0.074
  367   2HB   LEU  45          1HB       LEU  45  -1.839  12.801   0.657
  368    HG   LEU  45           HG       LEU  45  -2.109  10.705  -0.414
  369   1HD1  LEU  45          1HD1      LEU  45  -0.648  10.421   1.365
  370   2HD1  LEU  45          2HD1      LEU  45  -1.796   9.096   1.552
  371   3HD1  LEU  45          3HD1      LEU  45  -1.934  10.532   2.566
  372   1HD2  LEU  45          1HD2      LEU  45  -4.123   9.788  -0.534
  373   2HD2  LEU  45          2HD2      LEU  45  -4.708  10.779   0.803
  374   3HD2  LEU  45          3HD2      LEU  45  -3.913   9.239   1.129
  375    H    LYS  46           H        LYS  46  -3.433  15.229   2.275
  376    HA   LYS  46           HA       LYS  46  -6.359  15.271   2.083
  377   1HB   LYS  46          2HB       LYS  46  -6.343  17.360   3.182
  378   2HB   LYS  46          1HB       LYS  46  -5.143  16.401   4.032
  379   1HG   LYS  46          2HG       LYS  46  -3.372  17.579   3.092
  380   2HG   LYS  46          1HG       LYS  46  -4.378  18.258   1.813
  381   1HD   LYS  46          2HD       LYS  46  -5.671  19.305   3.853
  382   2HD   LYS  46          1HD       LYS  46  -4.127  19.056   4.671
  383   1HE   LYS  46          2HE       LYS  46  -3.131  20.215   2.569
  384   2HE   LYS  46          1HE       LYS  46  -4.775  20.808   2.336
  385   1HZ   LYS  46          1HZ       LYS  46  -4.713  21.960   4.354
  386   2HZ   LYS  46          2HZ       LYS  46  -3.207  22.268   3.649
  387   3HZ   LYS  46          3HZ       LYS  46  -3.339  21.137   4.901
  388    HA   PRO  47           HA       PRO  47  -6.528  16.993  -1.922
  389   1HB   PRO  47          2HB       PRO  47  -7.977  19.370  -0.952
  390   2HB   PRO  47          1HB       PRO  47  -8.454  18.154  -2.141
  391   1HG   PRO  47          2HG       PRO  47  -9.536  18.238   0.319
  392   2HG   PRO  47          1HG       PRO  47  -9.275  16.718  -0.556
  393   1HD   PRO  47          2HD       PRO  47  -7.744  17.890   1.712
  394   2HD   PRO  47          1HD       PRO  47  -8.072  16.189   1.325
  395    H    GLY  48           H        GLY  48  -4.391  17.469  -2.289
  396   1HA   GLY  48          2HA       GLY  48  -3.436  19.650  -3.278
  397   2HA   GLY  48          1HA       GLY  48  -3.468  20.174  -1.601
  398    H    VAL  49           H        VAL  49  -2.817  17.068  -1.192
  399    HA   VAL  49           HA       VAL  49   0.088  17.438  -1.533
  400    HB   VAL  49           HB       VAL  49  -0.567  15.513   0.512
  401   1HG1  VAL  49          1HG1      VAL  49   1.095  16.729   1.754
  402   2HG1  VAL  49          2HG1      VAL  49   0.985  18.090   0.638
  403   3HG1  VAL  49          3HG1      VAL  49   1.635  16.545   0.083
  404   1HG2  VAL  49          1HG2      VAL  49  -1.939  18.122   0.605
  405   2HG2  VAL  49          2HG2      VAL  49  -1.127  17.609   2.085
  406   3HG2  VAL  49          3HG2      VAL  49  -2.364  16.582   1.355
  407    H    VAL  50           H        VAL  50   1.293  15.835  -2.328
  408    HA   VAL  50           HA       VAL  50  -0.086  13.349  -3.108
  409    HB   VAL  50           HB       VAL  50   0.566  14.474  -5.107
  410   1HG1  VAL  50          1HG1      VAL  50   3.211  14.912  -3.744
  411   2HG1  VAL  50          2HG1      VAL  50   2.072  16.123  -4.329
  412   3HG1  VAL  50          3HG1      VAL  50   2.973  15.133  -5.476
  413   1HG2  VAL  50          1HG2      VAL  50   1.778  12.012  -4.327
  414   2HG2  VAL  50          2HG2      VAL  50   2.885  12.883  -5.388
  415   3HG2  VAL  50          3HG2      VAL  50   1.244  12.526  -5.928
  416    H    TYR  51           H        TYR  51   0.526  11.661  -1.894
  417    HA   TYR  51           HA       TYR  51   3.175  11.746  -0.624
  418   1HB   TYR  51          2HB       TYR  51   0.654  10.259   0.092
  419   2HB   TYR  51          1HB       TYR  51   2.208   9.911   0.841
  420    HD1  TYR  51           1HD      TYR  51  -0.143  12.721   0.210
  421    HD2  TYR  51           2HD      TYR  51   2.831  11.071   2.759
  422    HE1  TYR  51           1HE      TYR  51  -0.573  14.494   1.843
  423    HE2  TYR  51           2HE      TYR  51   2.414  12.851   4.406
  424    HH   TYR  51           HH       TYR  51  -0.151  15.245   3.911
  425    H    GLU  52           H        GLU  52   4.723  10.425  -1.308
  426    HA   GLU  52           HA       GLU  52   4.138   8.464  -3.325
  427   1HB   GLU  52          2HB       GLU  52   6.168   9.694  -3.603
  428   2HB   GLU  52          1HB       GLU  52   6.683   9.332  -1.962
  429   1HG   GLU  52          2HG       GLU  52   7.385   7.234  -2.491
  430   2HG   GLU  52          1HG       GLU  52   6.231   7.060  -3.812
  431    H    GLY  53           H        GLY  53   3.731   6.386  -2.991
  432   1HA   GLY  53          2HA       GLY  53   4.269   5.288  -0.305
  433   2HA   GLY  53          1HA       GLY  53   2.928   4.793  -1.324
  434    H    GLN  54           H        GLN  54   4.856   3.042  -0.110
  435    HA   GLN  54           HA       GLN  54   5.987   1.918  -2.584
  436   1HB   GLN  54          2HB       GLN  54   7.754   3.035  -1.207
  437   2HB   GLN  54          1HB       GLN  54   7.400   1.894   0.084
  438   1HG   GLN  54          2HG       GLN  54   8.000   0.045  -1.411
  439   2HG   GLN  54          1HG       GLN  54   8.409   1.215  -2.666
  440   1HE2  GLN  54          1HE2      GLN  54  10.526   0.302  -2.661
  441   2HE2  GLN  54          2HE2      GLN  54  11.672   0.757  -1.451
  442    H    LEU  55           H        LEU  55   5.025   0.051  -2.952
  443    HA   LEU  55           HA       LEU  55   4.099  -1.558  -0.681
  444   1HB   LEU  55          2HB       LEU  55   3.053  -0.982  -3.289
  445   2HB   LEU  55          1HB       LEU  55   3.307  -2.711  -3.145
  446    HG   LEU  55           HG       LEU  55   1.997  -2.532  -0.938
  447   1HD1  LEU  55          1HD1      LEU  55   1.410  -0.490  -0.300
  448   2HD1  LEU  55          2HD1      LEU  55   0.304  -0.444  -1.672
  449   3HD1  LEU  55          3HD1      LEU  55   1.935   0.204  -1.834
  450   1HD2  LEU  55          1HD2      LEU  55   0.538  -2.003  -3.522
  451   2HD2  LEU  55          2HD2      LEU  55  -0.101  -2.808  -2.090
  452   3HD2  LEU  55          3HD2      LEU  55   1.180  -3.570  -3.033
  453    H    ILE  56           H        ILE  56   5.668  -2.878   0.001
  454    HA   ILE  56           HA       ILE  56   7.188  -4.369  -2.030
  455    HB   ILE  56           HB       ILE  56   8.048  -3.510   0.731
  456   1HG1  ILE  56          2HG1      ILE  56   9.177  -2.903  -2.009
  457   2HG1  ILE  56          1HG1      ILE  56   8.200  -1.804  -1.046
  458   1HG2  ILE  56          1HG2      ILE  56   9.189  -5.445   0.741
  459   2HG2  ILE  56          2HG2      ILE  56  10.266  -4.592  -0.364
  460   3HG2  ILE  56          3HG2      ILE  56   9.026  -5.671  -1.001
  461   1HD1  ILE  56          1HD1      ILE  56   9.933  -1.186   0.217
  462   2HD1  ILE  56          2HD1      ILE  56  10.911  -1.857  -1.088
  463   3HD1  ILE  56          3HD1      ILE  56  10.558  -2.830   0.340
  464    H    SER  57           H        SER  57   6.759  -6.473  -2.134
  465    HA   SER  57           HA       SER  57   5.233  -7.737  -0.033
  466   1HB   SER  57          2HB       SER  57   6.364  -9.164  -2.432
  467   2HB   SER  57          1HB       SER  57   4.916  -9.547  -1.499
  468    HG   SER  57           HG       SER  57   4.516  -8.515  -3.558
  469    H    ILE  58           H        ILE  58   5.937  -9.161   1.396
  470    HA   ILE  58           HA       ILE  58   8.805  -9.793   1.435
  471    HB   ILE  58           HB       ILE  58   6.948  -9.038   3.657
  472   1HG1  ILE  58          2HG1      ILE  58   9.672  -8.167   3.896
  473   2HG1  ILE  58          1HG1      ILE  58   9.095  -7.839   2.264
  474   1HG2  ILE  58          1HG2      ILE  58   9.220  -9.786   4.974
  475   2HG2  ILE  58          2HG2      ILE  58   9.050 -11.070   3.778
  476   3HG2  ILE  58          3HG2      ILE  58   7.733 -10.732   4.900
  477   1HD1  ILE  58          1HD1      ILE  58   8.705  -6.270   4.495
  478   2HD1  ILE  58          2HD1      ILE  58   7.157  -7.089   4.282
  479   3HD1  ILE  58          3HD1      ILE  58   7.843  -6.143   2.962
  480    H    GLN  59           H        GLN  59   9.427 -11.845   1.589
  481    HA   GLN  59           HA       GLN  59   7.365 -13.914   1.738
  482   1HB   GLN  59          2HB       GLN  59   9.644 -13.622   0.156
  483   2HB   GLN  59          1HB       GLN  59  10.077 -14.870   1.316
  484   1HG   GLN  59          2HG       GLN  59   7.428 -15.158   0.071
  485   2HG   GLN  59          1HG       GLN  59   8.809 -15.339  -1.009
  486   1HE2  GLN  59          1HE2      GLN  59  10.643 -16.660   0.206
  487   2HE2  GLN  59          2HE2      GLN  59  10.095 -18.170   0.841
  488    H    GLN  60           H        GLN  60   8.563 -16.059   2.735
  489    HA   GLN  60           HA       GLN  60   8.539 -15.650   5.510
  490   1HB   GLN  60          2HB       GLN  60   9.473 -17.981   5.625
  491   2HB   GLN  60          1HB       GLN  60   8.010 -17.819   4.663
  492   1HG   GLN  60          2HG       GLN  60   9.088 -18.916   3.067
  493   2HG   GLN  60          1HG       GLN  60  10.033 -17.446   2.827
  494   1HE2  GLN  60          1HE2      GLN  60  10.045 -20.691   3.884
  495   2HE2  GLN  60          2HE2      GLN  60  11.712 -20.785   4.327
  496    H    TYR  61           H        TYR  61  11.108 -15.492   3.174
  497    HA   TYR  61           HA       TYR  61  13.095 -15.267   5.323
  498   1HB   TYR  61          2HB       TYR  61  14.768 -15.817   3.772
  499   2HB   TYR  61          1HB       TYR  61  13.421 -16.857   3.326
  500    HD1  TYR  61           1HD      TYR  61  15.731 -14.366   2.208
  501    HD2  TYR  61           2HD      TYR  61  11.944 -16.118   1.376
  502    HE1  TYR  61           1HE      TYR  61  15.846 -13.507  -0.093
  503    HE2  TYR  61           2HE      TYR  61  12.050 -15.263  -0.928
  504    HH   TYR  61           HH       TYR  61  14.854 -14.110  -2.333
  505    H    GLY  62           H        GLY  62  11.131 -13.357   3.468
  506   1HA   GLY  62          2HA       GLY  62  11.096 -10.994   3.703
  507   2HA   GLY  62          1HA       GLY  62  12.829 -11.023   3.984
  508    H    HIS  63           H        HIS  63  11.305  -9.357   2.155
  509    HA   HIS  63           HA       HIS  63  11.542  -8.452   0.086
  510   1HB   HIS  63          2HB       HIS  63  14.016  -9.265   0.643
  511   2HB   HIS  63          1HB       HIS  63  13.697 -10.354  -0.701
  512    HD2  HIS  63           2HD      HIS  63  12.975  -6.477  -0.352
  513    HE1  HIS  63           1HE      HIS  63  15.101  -7.276  -3.924
  514    HE2  HIS  63           2HE      HIS  63  14.155  -5.461  -2.428
  515    H    GLN  64           H        GLN  64  10.310  -8.722  -1.658
  516    HA   GLN  64           HA       GLN  64  10.172 -11.246  -3.044
  517   1HB   GLN  64          2HB       GLN  64   8.068 -10.393  -1.180
  518   2HB   GLN  64          1HB       GLN  64   7.492 -10.866  -2.771
  519   1HG   GLN  64          2HG       GLN  64   8.959 -12.494  -0.743
  520   2HG   GLN  64          1HG       GLN  64   7.397 -12.809  -1.496
  521   1HE2  GLN  64          1HE2      GLN  64  10.429 -13.888  -1.387
  522   2HE2  GLN  64          2HE2      GLN  64  10.600 -14.534  -2.980
  523    H    GLU  65           H        GLU  65   8.524  -8.133  -2.613
  524    HA   GLU  65           HA       GLU  65   8.821  -7.600  -5.474
  525   1HB   GLU  65          2HB       GLU  65   6.492  -8.622  -4.618
  526   2HB   GLU  65          1HB       GLU  65   6.189  -6.925  -4.271
  527   1HG   GLU  65          2HG       GLU  65   6.191  -6.327  -6.481
  528   2HG   GLU  65          1HG       GLU  65   7.236  -7.666  -6.956
  529    H    VAL  66           H        VAL  66   8.939  -5.405  -5.996
  530    HA   VAL  66           HA       VAL  66   8.666  -3.506  -3.771
  531    HB   VAL  66           HB       VAL  66  11.017  -3.551  -5.669
  532   1HG1  VAL  66          1HG1      VAL  66  10.241  -1.667  -3.447
  533   2HG1  VAL  66          2HG1      VAL  66  10.463  -1.287  -5.155
  534   3HG1  VAL  66          3HG1      VAL  66  11.853  -1.725  -4.162
  535   1HG2  VAL  66          1HG2      VAL  66  11.335  -3.789  -2.728
  536   2HG2  VAL  66          2HG2      VAL  66  12.307  -4.472  -4.031
  537   3HG2  VAL  66          3HG2      VAL  66  10.762  -5.208  -3.604
  538    H    THR  67           H        THR  67   7.405  -1.855  -4.300
  539    HA   THR  67           HA       THR  67   7.394  -0.893  -7.071
  540    HB   THR  67           HB       THR  67   5.017  -1.834  -5.498
  541    HG1  THR  67           1HG      THR  67   6.022  -3.121  -7.181
  542   1HG2  THR  67          1HG2      THR  67   5.135   0.623  -7.024
  543   2HG2  THR  67          2HG2      THR  67   3.816  -0.034  -6.057
  544   3HG2  THR  67          3HG2      THR  67   4.000  -0.519  -7.742
  545    H    ARG  68           H        ARG  68   7.814   1.213  -7.088
  546    HA   ARG  68           HA       ARG  68   7.074   2.826  -4.734
  547   1HB   ARG  68          2HB       ARG  68   9.156   3.694  -6.705
  548   2HB   ARG  68          1HB       ARG  68   8.981   4.127  -5.010
  549   1HG   ARG  68          2HG       ARG  68   9.918   2.129  -4.273
  550   2HG   ARG  68          1HG       ARG  68   9.649   1.324  -5.822
  551   1HD   ARG  68          2HD       ARG  68  11.331   3.696  -6.031
  552   2HD   ARG  68          1HD       ARG  68  12.009   2.456  -4.976
  553    HE   ARG  68           HE       ARG  68  11.249   2.004  -7.790
  554   1HH1  ARG  68          1HH1      ARG  68  13.248   1.357  -5.011
  555   2HH1  ARG  68          2HH1      ARG  68  14.275   0.241  -5.849
  556   1HH2  ARG  68          1HH2      ARG  68  12.592   0.538  -8.902
  557   2HH2  ARG  68          2HH2      ARG  68  13.902  -0.224  -8.062
  558    H    PHE  69           H        PHE  69   5.437   4.179  -5.052
  559    HA   PHE  69           HA       PHE  69   5.293   5.791  -7.438
  560   1HB   PHE  69          2HB       PHE  69   3.274   5.029  -8.330
  561   2HB   PHE  69          1HB       PHE  69   4.129   3.544  -7.931
  562    HD1  PHE  69           1HD      PHE  69   3.623   2.625  -5.497
  563    HD2  PHE  69           2HD      PHE  69   1.076   5.219  -7.711
  564    HE1  PHE  69           1HE      PHE  69   1.703   1.885  -4.148
  565    HE2  PHE  69           2HE      PHE  69  -0.848   4.484  -6.365
  566    HZ   PHE  69           HZ       PHE  69  -0.535   2.816  -4.580
  567    H    ASP  70           H        ASP  70   4.315   7.722  -7.100
  568    HA   ASP  70           HA       ASP  70   3.359   8.236  -4.406
  569   1HB   ASP  70          2HB       ASP  70   3.523  10.605  -5.025
  570   2HB   ASP  70          1HB       ASP  70   5.032   9.762  -5.362
  571    H    PHE  71           H        PHE  71   1.319   8.728  -3.895
  572    HA   PHE  71           HA       PHE  71  -0.620   9.156  -6.047
  573   1HB   PHE  71          2HB       PHE  71  -2.106   7.487  -5.232
  574   2HB   PHE  71          1HB       PHE  71  -0.522   6.721  -5.396
  575    HD1  PHE  71           1HD      PHE  71  -2.787   8.333  -2.861
  576    HD2  PHE  71           2HD      PHE  71   0.426   5.604  -3.604
  577    HE1  PHE  71           1HE      PHE  71  -2.880   7.562  -0.525
  578    HE2  PHE  71           2HE      PHE  71   0.326   4.853  -1.266
  579    HZ   PHE  71           HZ       PHE  71  -1.327   5.829   0.273
  580    H    THR  72           H        THR  72  -2.706   9.850  -5.270
  581    HA   THR  72           HA       THR  72  -2.861  10.871  -2.583
  582    HB   THR  72           HB       THR  72  -2.272  12.972  -3.087
  583    HG1  THR  72           1HG      THR  72  -3.864  14.144  -4.439
  584   1HG2  THR  72          1HG2      THR  72  -1.422  11.805  -5.352
  585   2HG2  THR  72          2HG2      THR  72  -1.307  13.541  -5.062
  586   3HG2  THR  72          3HG2      THR  72  -2.637  12.892  -6.023
  587    H    THR  73           H        THR  73  -4.905  10.711  -1.854
  588    HA   THR  73           HA       THR  73  -7.010   9.831  -3.679
  589    HB   THR  73           HB       THR  73  -6.634   8.932  -1.265
  590    HG1  THR  73           1HG      THR  73  -9.284   9.765  -1.465
  591   1HG2  THR  73          1HG2      THR  73  -6.850  10.328   0.470
  592   2HG2  THR  73          2HG2      THR  73  -8.434  10.854  -0.097
  593   3HG2  THR  73          3HG2      THR  73  -6.980  11.667  -0.674
  594    H    THR  74           H        THR  74  -5.583  12.470  -3.269
  595    HA   THR  74           HA       THR  74  -7.875  14.268  -2.989
  596    HB   THR  74           HB       THR  74  -6.622  15.419  -1.545
  597    HG1  THR  74           1HG      THR  74  -4.346  15.971  -2.250
  598   1HG2  THR  74          1HG2      THR  74  -5.746  12.937  -1.239
  599   2HG2  THR  74          2HG2      THR  74  -4.986  14.276  -0.375
  600   3HG2  THR  74          3HG2      THR  74  -4.234  13.624  -1.839
  601    H    SER  75           H        SER  75  -7.175  16.510  -4.004
  602    HA   SER  75           HA       SER  75  -7.024  17.696  -5.938
  603   1HB   SER  75          2HB       SER  75  -4.570  16.901  -5.296
  604   2HB   SER  75          1HB       SER  75  -4.711  16.032  -6.825
  605    HG   SER  75           HG       SER  75  -5.501  18.695  -6.825
  606    H    THR  76           H        THR  76  -6.136  17.068  -8.491
  607    HA   THR  76           HA       THR  76  -7.551  14.718  -9.424
  608    HB   THR  76           HB       THR  76  -8.755  16.346 -11.138
  609    HG1  THR  76           1HG      THR  76  -7.778  18.047  -9.345
  610   1HG2  THR  76          1HG2      THR  76 -10.132  16.306  -8.520
  611   2HG2  THR  76          2HG2      THR  76  -9.608  14.748  -9.157
  612   3HG2  THR  76          3HG2      THR  76 -10.691  15.767 -10.103
  613    H    SER  77           H        SER  77  -5.671  14.008 -10.382
  614    HA   SER  77           HA       SER  77  -5.022  15.123 -12.931
  615   1HB   SER  77          2HB       SER  77  -3.272  15.686 -10.594
  616   2HB   SER  77          1HB       SER  77  -2.487  15.253 -12.113
  617    HG   SER  77           HG       SER  77  -2.956  17.160 -12.850
  618    H    THR  78           H        THR  78  -2.499  14.062 -13.302
  619    HA   THR  78           HA       THR  78  -2.248  11.415 -12.335
  620    HB   THR  78           HB       THR  78  -2.587  10.811 -15.057
  621    HG1  THR  78           1HG      THR  78  -4.860  11.358 -15.259
  622   1HG2  THR  78          1HG2      THR  78  -4.098   9.192 -14.216
  623   2HG2  THR  78          2HG2      THR  78  -4.478  10.184 -12.804
  624   3HG2  THR  78          3HG2      THR  78  -2.881   9.442 -12.959
  625    HA   PRO  79           HA       PRO  79   1.725  11.981 -14.177
  626   1HB   PRO  79          2HB       PRO  79   2.757   9.568 -13.993
  627   2HB   PRO  79          1HB       PRO  79   2.135  10.361 -12.540
  628   1HG   PRO  79          2HG       PRO  79   0.816   8.285 -14.245
  629   2HG   PRO  79          1HG       PRO  79   0.967   8.345 -12.478
  630   1HD   PRO  79          2HD       PRO  79  -1.237   9.217 -13.890
  631   2HD   PRO  79          1HD       PRO  79  -0.801   9.774 -12.262
  632    H    GLY  80           H        GLY  80  -0.675  10.511 -15.949
  633   1HA   GLY  80          2HA       GLY  80   1.150  10.020 -18.223
  634   2HA   GLY  80          1HA       GLY  80  -0.338   9.124 -17.966
  635    H    SER  81           H        SER  81  -2.298  10.748 -17.684
  636    HA   SER  81           HA       SER  81  -3.736  12.172 -18.710
  637   1HB   SER  81          2HB       SER  81  -1.528  13.690 -18.198
  638   2HB   SER  81          1HB       SER  81  -1.682  13.890 -19.944
  639    HG   SER  81           HG       SER  81  -3.106  15.338 -19.382
  640    H    ARG  82           H        ARG  82  -1.246  12.876 -21.092
  641    HA   ARG  82           HA       ARG  82  -2.875  11.458 -23.091
  642   1HB   ARG  82          2HB       ARG  82  -1.861  13.007 -24.747
  643   2HB   ARG  82          1HB       ARG  82  -2.811  13.830 -23.518
  644   1HG   ARG  82          2HG       ARG  82  -1.031  14.924 -22.687
  645   2HG   ARG  82          1HG       ARG  82   0.055  13.553 -22.921
  646   1HD   ARG  82          2HD       ARG  82  -0.563  14.309 -25.494
  647   2HD   ARG  82          1HD       ARG  82  -0.465  15.849 -24.641
  648    HE   ARG  82           HE       ARG  82   1.707  13.877 -24.871
  649   1HH1  ARG  82          1HH1      ARG  82   0.578  17.098 -24.166
  650   2HH1  ARG  82          2HH1      ARG  82   2.170  17.772 -24.063
  651   1HH2  ARG  82          1HH2      ARG  82   3.807  14.757 -24.737
  652   2HH2  ARG  82          2HH2      ARG  82   4.005  16.442 -24.388
  653    H    SER  83           H        SER  83  -1.715  10.522 -24.926
  654    HA   SER  83           HA       SER  83   1.009   9.643 -24.234
  655   1HB   SER  83          2HB       SER  83  -0.879   7.913 -23.875
  656   2HB   SER  83          1HB       SER  83  -0.956   7.841 -25.634
  657    HG   SER  83           HG       SER  83   1.569   7.639 -25.077
  658    H    HIS  84           H        HIS  84  -1.200   9.117 -26.974
  659    HA   HIS  84           HA       HIS  84   0.809  10.369 -28.728
  660   1HB   HIS  84          2HB       HIS  84  -0.699   7.795 -29.056
  661   2HB   HIS  84          1HB       HIS  84  -0.171   8.693 -30.477
  662    HD2  HIS  84           2HD      HIS  84   2.239   7.926 -31.321
  663    HE1  HIS  84           1HE      HIS  84   3.704   6.494 -27.618
  664    HE2  HIS  84           2HE      HIS  84   4.135   6.633 -30.113
  665    H    HIS  85           H        HIS  85  -2.297   9.012 -29.670
  666    HA   HIS  85           HA       HIS  85  -3.420  11.703 -29.964
  667   1HB   HIS  85          2HB       HIS  85  -2.704   9.842 -32.136
  668   2HB   HIS  85          1HB       HIS  85  -4.331  10.507 -32.244
  669    HD2  HIS  85           2HD      HIS  85  -3.487  11.988 -34.482
  670    HE1  HIS  85           1HE      HIS  85  -1.074  14.606 -32.194
  671    HE2  HIS  85           2HE      HIS  85  -2.000  14.114 -34.503
  672    H    HIS  86           H        HIS  86  -3.821   8.277 -29.606
  673    HA   HIS  86           HA       HIS  86  -6.605   8.718 -28.795
  674   1HB   HIS  86          2HB       HIS  86  -6.995   6.345 -29.843
  675   2HB   HIS  86          1HB       HIS  86  -7.053   7.779 -30.864
  676    HD2  HIS  86           2HD      HIS  86  -6.234   6.441 -33.125
  677    HE1  HIS  86           1HE      HIS  86  -2.424   5.394 -31.609
  678    HE2  HIS  86           2HE      HIS  86  -3.958   5.300 -33.625
  679    H    HIS  87           H        HIS  87  -7.235   6.102 -28.138
  680    HA   HIS  87           HA       HIS  87  -5.463   5.682 -25.841
  681   1HB   HIS  87          2HB       HIS  87  -8.038   6.013 -25.672
  682   2HB   HIS  87          1HB       HIS  87  -8.126   4.338 -26.205
  683    HD2  HIS  87           2HD      HIS  87  -5.155   4.701 -23.925
  684    HE1  HIS  87           1HE      HIS  87  -8.419   3.556 -21.487
  685    HE2  HIS  87           2HE      HIS  87  -5.893   3.693 -21.652
  686    H    HIS  88           H        HIS  88  -3.867   4.294 -26.319
  687    HA   HIS  88           HA       HIS  88  -4.561   1.589 -27.040
  688   1HB   HIS  88          2HB       HIS  88  -4.130   3.148 -29.178
  689   2HB   HIS  88          1HB       HIS  88  -2.461   2.727 -28.810
  690    HD2  HIS  88           2HD      HIS  88  -5.021  -0.069 -28.165
  691    HE1  HIS  88           1HE      HIS  88  -3.069  -0.872 -31.833
  692    HE2  HIS  88           2HE      HIS  88  -4.500  -1.846 -29.981
  693    H    HIS  89           H        HIS  89  -1.966   3.947 -26.530
  694    HA   HIS  89           HA       HIS  89   0.039   3.817 -25.464
  695   1HB   HIS  89          2HB       HIS  89  -1.884   2.421 -23.841
  696   2HB   HIS  89          1HB       HIS  89  -0.304   1.666 -23.670
  697    HD2  HIS  89           2HD      HIS  89  -2.174   4.127 -21.815
  698    HE1  HIS  89           1HE      HIS  89   1.771   5.659 -21.797
  699    HE2  HIS  89           2HE      HIS  89  -0.567   5.923 -20.854
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1   5.188 -22.727   2.781
    2   2H    MET   1          2HT       MET   1   4.343 -23.763   3.818
    3   3H    MET   1          3HT       MET   1   5.506 -24.389   2.761
    4    HA   MET   1           HA       MET   1   6.094 -22.490   4.957
    5   1HB   MET   1          2HB       MET   1   5.274 -25.024   5.328
    6   2HB   MET   1          1HB       MET   1   6.983 -25.323   5.040
    7   1HG   MET   1          2HG       MET   1   7.567 -23.815   6.857
    8   2HG   MET   1          1HG       MET   1   5.859 -23.478   7.136
    9   1HE   MET   1          1HE       MET   1   6.343 -25.311  10.268
   10   2HE   MET   1          2HE       MET   1   4.792 -25.017   9.481
   11   3HE   MET   1          3HE       MET   1   6.075 -23.812   9.381
   12    H    ARG   2           H        ARG   2   7.122 -24.413   2.237
   13    HA   ARG   2           HA       ARG   2   9.896 -23.518   2.602
   14   1HB   ARG   2          2HB       ARG   2  10.365 -25.206   0.765
   15   2HB   ARG   2          1HB       ARG   2   9.835 -25.868   2.305
   16   1HG   ARG   2          2HG       ARG   2   7.493 -25.888   1.297
   17   2HG   ARG   2          1HG       ARG   2   8.291 -25.619  -0.254
   18   1HD   ARG   2          2HD       ARG   2   7.866 -27.998   0.148
   19   2HD   ARG   2          1HD       ARG   2   9.592 -27.650   0.040
   20    HE   ARG   2           HE       ARG   2   9.687 -27.840   2.461
   21   1HH1  ARG   2          1HH1      ARG   2   6.831 -29.072   0.888
   22   2HH1  ARG   2          2HH1      ARG   2   6.418 -30.137   2.190
   23   1HH2  ARG   2          1HH2      ARG   2   9.149 -29.238   4.178
   24   2HH2  ARG   2          2HH2      ARG   2   7.735 -30.231   4.059
   25    H    GLY   3           H        GLY   3   7.224 -23.574   0.294
   26   1HA   GLY   3          2HA       GLY   3   6.846 -21.553  -1.023
   27   2HA   GLY   3          1HA       GLY   3   8.591 -21.418  -1.192
   28    H    SER   4           H        SER   4   7.944 -21.227  -3.501
   29    HA   SER   4           HA       SER   4   8.418 -23.703  -4.836
   30   1HB   SER   4          2HB       SER   4   6.234 -23.390  -6.254
   31   2HB   SER   4          1HB       SER   4   6.159 -24.240  -4.710
   32    HG   SER   4           HG       SER   4   5.487 -21.528  -5.207
   33    H    ASN   5           H        ASN   5   7.695 -23.163  -7.379
   34    HA   ASN   5           HA       ASN   5   9.536 -21.099  -8.108
   35   1HB   ASN   5          2HB       ASN   5   7.635 -22.511  -9.977
   36   2HB   ASN   5          1HB       ASN   5   9.199 -21.795 -10.355
   37   1HD2  ASN   5          1HD2      ASN   5  11.009 -22.758  -8.897
   38   2HD2  ASN   5          2HD2      ASN   5  11.035 -24.484  -8.829
   39    H    ALA   6           H        ALA   6   6.303 -21.485  -9.509
   40    HA   ALA   6           HA       ALA   6   5.387 -18.928  -8.583
   41   1HB   ALA   6          1HB       ALA   6   6.953 -18.266 -10.382
   42   2HB   ALA   6          2HB       ALA   6   5.285 -17.794 -10.707
   43   3HB   ALA   6          3HB       ALA   6   5.981 -19.191 -11.527
   44    HA   PRO   7           HA       PRO   7   2.084 -21.846 -10.024
   45   1HB   PRO   7          2HB       PRO   7   1.279 -22.596  -7.453
   46   2HB   PRO   7          1HB       PRO   7   2.300 -23.539  -8.537
   47   1HG   PRO   7          2HG       PRO   7   3.052 -22.346  -6.078
   48   2HG   PRO   7          1HG       PRO   7   4.110 -23.148  -7.247
   49   1HD   PRO   7          2HD       PRO   7   3.619 -20.257  -6.812
   50   2HD   PRO   7          1HD       PRO   7   5.057 -21.078  -7.455
   51    H    GLN   8           H        GLN   8   2.286 -18.931  -8.787
   52    HA   GLN   8           HA       GLN   8   0.858 -17.232  -8.297
   53   1HB   GLN   8          2HB       GLN   8  -0.291 -18.671 -10.355
   54   2HB   GLN   8          1HB       GLN   8  -1.596 -18.551  -9.182
   55   1HG   GLN   8          2HG       GLN   8  -0.675 -16.003  -9.198
   56   2HG   GLN   8          1HG       GLN   8  -0.371 -16.490 -10.865
   57   1HE2  GLN   8          1HE2      GLN   8  -2.872 -16.411  -8.374
   58   2HE2  GLN   8          2HE2      GLN   8  -4.200 -16.211  -9.459
   59    HA   PRO   9           HA       PRO   9  -0.649 -19.273  -4.456
   60   1HB   PRO   9          2HB       PRO   9   0.372 -17.448  -2.743
   61   2HB   PRO   9          1HB       PRO   9   1.333 -18.780  -3.394
   62   1HG   PRO   9          2HG       PRO   9   1.252 -15.913  -4.235
   63   2HG   PRO   9          1HG       PRO   9   2.646 -16.994  -4.071
   64   1HD   PRO   9          2HD       PRO   9   1.468 -16.400  -6.464
   65   2HD   PRO   9          1HD       PRO   9   2.327 -17.920  -6.145
   66    H    SER  10           H        SER  10  -2.213 -18.568  -2.900
   67    HA   SER  10           HA       SER  10  -4.156 -16.807  -3.953
   68   1HB   SER  10          2HB       SER  10  -3.879 -18.538  -1.609
   69   2HB   SER  10          1HB       SER  10  -4.818 -17.081  -1.286
   70    HG   SER  10           HG       SER  10  -6.329 -18.350  -2.101
   71    H    HIS  11           H        HIS  11  -1.880 -16.496  -1.245
   72    HA   HIS  11           HA       HIS  11  -1.993 -13.598  -1.547
   73   1HB   HIS  11          2HB       HIS  11  -2.022 -13.528   1.076
   74   2HB   HIS  11          1HB       HIS  11  -3.529 -13.652   0.178
   75    HD2  HIS  11           2HD      HIS  11  -1.583 -15.479   2.879
   76    HE1  HIS  11           1HE      HIS  11  -4.706 -18.041   1.614
   77    HE2  HIS  11           2HE      HIS  11  -2.821 -17.723   3.281
   78    H    ILE  12           H        ILE  12  -0.310 -12.530  -0.141
   79    HA   ILE  12           HA       ILE  12   2.172 -14.065  -0.359
   80    HB   ILE  12           HB       ILE  12   2.201 -11.927  -1.472
   81   1HG1  ILE  12          2HG1      ILE  12   3.847 -10.818   0.525
   82   2HG1  ILE  12          1HG1      ILE  12   3.967 -12.563   0.722
   83   1HG2  ILE  12          1HG2      ILE  12   0.712 -11.088   0.834
   84   2HG2  ILE  12          2HG2      ILE  12   0.918 -10.282  -0.721
   85   3HG2  ILE  12          3HG2      ILE  12   2.089 -10.016   0.570
   86   1HD1  ILE  12          1HD1      ILE  12   4.192 -11.536  -2.033
   87   2HD1  ILE  12          2HD1      ILE  12   5.059 -12.845  -1.229
   88   3HD1  ILE  12          3HD1      ILE  12   5.521 -11.169  -0.932
   89    H    SER  13           H        SER  13   3.706 -14.135   1.352
   90    HA   SER  13           HA       SER  13   2.765 -14.726   3.873
   91   1HB   SER  13          2HB       SER  13   5.502 -13.588   3.240
   92   2HB   SER  13          1HB       SER  13   5.071 -14.558   4.648
   93    HG   SER  13           HG       SER  13   5.798 -15.372   2.195
   94    H    LYS  14           H        LYS  14   4.162 -11.666   2.728
   95    HA   LYS  14           HA       LYS  14   2.424 -10.110   4.339
   96   1HB   LYS  14          2HB       LYS  14   4.062  -9.119   5.854
   97   2HB   LYS  14          1HB       LYS  14   3.932 -10.851   6.122
   98   1HG   LYS  14          2HG       LYS  14   5.968 -11.092   4.634
   99   2HG   LYS  14          1HG       LYS  14   6.148  -9.342   4.776
  100   1HD   LYS  14          2HD       LYS  14   5.761 -10.213   7.385
  101   2HD   LYS  14          1HD       LYS  14   6.817 -11.432   6.667
  102   1HE   LYS  14          2HE       LYS  14   8.546 -10.055   6.866
  103   2HE   LYS  14          1HE       LYS  14   7.733  -8.877   5.837
  104   1HZ   LYS  14          1HZ       LYS  14   6.616  -8.788   8.419
  105   2HZ   LYS  14          2HZ       LYS  14   7.447  -7.572   7.586
  106   3HZ   LYS  14          3HZ       LYS  14   8.300  -8.667   8.551
  107    H    TYR  15           H        TYR  15   2.430  -7.972   3.770
  108    HA   TYR  15           HA       TYR  15   4.170  -7.235   1.514
  109   1HB   TYR  15          2HB       TYR  15   1.361  -7.041   1.916
  110   2HB   TYR  15          1HB       TYR  15   1.994  -5.400   1.907
  111    HD1  TYR  15           1HD      TYR  15   1.057  -8.230  -0.076
  112    HD2  TYR  15           2HD      TYR  15   3.382  -4.664  -0.110
  113    HE1  TYR  15           1HE      TYR  15   1.088  -8.281  -2.532
  114    HE2  TYR  15           2HE      TYR  15   3.427  -4.714  -2.567
  115    HH   TYR  15           HH       TYR  15   1.629  -5.910  -4.414
  116    H    ILE  16           H        ILE  16   4.947  -4.997   1.446
  117    HA   ILE  16           HA       ILE  16   5.228  -3.879   4.152
  118    HB   ILE  16           HB       ILE  16   7.280  -4.590   2.366
  119   1HG1  ILE  16          2HG1      ILE  16   7.363  -4.554   4.836
  120   2HG1  ILE  16          1HG1      ILE  16   8.730  -3.702   4.125
  121   1HG2  ILE  16          1HG2      ILE  16   6.549  -2.159   1.459
  122   2HG2  ILE  16          2HG2      ILE  16   8.224  -2.712   1.469
  123   3HG2  ILE  16          3HG2      ILE  16   7.634  -1.664   2.760
  124   1HD1  ILE  16          1HD1      ILE  16   6.516  -2.687   5.778
  125   2HD1  ILE  16          2HD1      ILE  16   7.016  -1.651   4.441
  126   3HD1  ILE  16          3HD1      ILE  16   8.192  -2.148   5.659
  127    H    LEU  17           H        LEU  17   5.110  -1.697   4.432
  128    HA   LEU  17           HA       LEU  17   4.298  -0.113   2.116
  129   1HB   LEU  17          2HB       LEU  17   2.545  -0.939   4.112
  130   2HB   LEU  17          1HB       LEU  17   2.957   0.708   4.555
  131    HG   LEU  17           HG       LEU  17   2.433   0.811   1.810
  132   1HD1  LEU  17          1HD1      LEU  17  -0.012  -0.385   2.942
  133   2HD1  LEU  17          2HD1      LEU  17   1.296  -1.503   2.553
  134   3HD1  LEU  17          3HD1      LEU  17   0.636  -0.447   1.303
  135   1HD2  LEU  17          1HD2      LEU  17   1.186   2.543   2.472
  136   2HD2  LEU  17          2HD2      LEU  17   1.749   2.162   4.099
  137   3HD2  LEU  17          3HD2      LEU  17   0.198   1.540   3.535
  138    H    ARG  18           H        ARG  18   5.882   1.259   1.939
  139    HA   ARG  18           HA       ARG  18   6.801   2.670   4.340
  140   1HB   ARG  18          2HB       ARG  18   8.869   2.678   2.380
  141   2HB   ARG  18          1HB       ARG  18   8.895   1.946   3.980
  142   1HG   ARG  18          2HG       ARG  18   7.578   0.037   2.796
  143   2HG   ARG  18          1HG       ARG  18   8.339   0.700   1.346
  144   1HD   ARG  18          2HD       ARG  18   9.902  -0.001   3.817
  145   2HD   ARG  18          1HD       ARG  18   9.557  -1.184   2.552
  146    HE   ARG  18           HE       ARG  18  10.652   0.825   1.154
  147   1HH1  ARG  18          1HH1      ARG  18  11.655  -0.782   4.077
  148   2HH1  ARG  18          2HH1      ARG  18  13.343  -0.519   3.796
  149   1HH2  ARG  18          1HH2      ARG  18  12.873   1.177   0.776
  150   2HH2  ARG  18          2HH2      ARG  18  14.037   0.595   1.920
  151    H    TRP  19           H        TRP  19   6.534   4.826   4.165
  152    HA   TRP  19           HA       TRP  19   6.689   6.050   1.559
  153   1HB   TRP  19          2HB       TRP  19   4.481   6.385   1.100
  154   2HB   TRP  19          1HB       TRP  19   4.370   4.854   1.955
  155    HD1  TRP  19           HD       TRP  19   3.631   8.569   2.362
  156    HE1  TRP  19           1HE      TRP  19   1.963   8.871   4.313
  157    HE3  TRP  19           3HE      TRP  19   3.562   3.773   4.102
  158    HZ2  TRP  19           2HZ      TRP  19   0.781   7.260   6.324
  159    HZ3  TRP  19           3HZ      TRP  19   2.143   3.230   6.036
  160    HH2  TRP  19           HH       TRP  19   0.782   4.940   7.124
  161    H    ARG  20           H        ARG  20   6.138   8.288   1.506
  162    HA   ARG  20           HA       ARG  20   5.949   9.764   3.955
  163   1HB   ARG  20          2HB       ARG  20   8.020  10.862   3.906
  164   2HB   ARG  20          1HB       ARG  20   8.445   9.189   3.572
  165   1HG   ARG  20          2HG       ARG  20   7.981  11.150   1.356
  166   2HG   ARG  20          1HG       ARG  20   9.542  11.021   2.169
  167   1HD   ARG  20          2HD       ARG  20   9.318   8.491   1.669
  168   2HD   ARG  20          1HD       ARG  20   8.111   8.999   0.485
  169    HE   ARG  20           HE       ARG  20  10.930   9.209   0.229
  170   1HH1  ARG  20          1HH1      ARG  20   7.955  10.842  -0.560
  171   2HH1  ARG  20          2HH1      ARG  20   8.607  11.632  -1.956
  172   1HH2  ARG  20          1HH2      ARG  20  11.799  10.246  -1.609
  173   2HH2  ARG  20          2HH2      ARG  20  10.791  11.293  -2.553
  174    HA   PRO  21           HA       PRO  21   3.566  12.217   1.156
  175   1HB   PRO  21          2HB       PRO  21   3.984  14.678   2.385
  176   2HB   PRO  21          1HB       PRO  21   2.743  13.509   2.852
  177   1HG   PRO  21          2HG       PRO  21   5.466  13.940   3.974
  178   2HG   PRO  21          1HG       PRO  21   3.947  13.669   4.845
  179   1HD   PRO  21          2HD       PRO  21   5.701  11.708   4.571
  180   2HD   PRO  21          1HD       PRO  21   3.968  11.377   4.333
  181    H    LYS  22           H        LYS  22   4.500  12.376  -0.753
  182    HA   LYS  22           HA       LYS  22   7.021  13.149  -1.453
  183   1HB   LYS  22          2HB       LYS  22   4.935  12.194  -2.771
  184   2HB   LYS  22          1HB       LYS  22   4.776  13.878  -3.263
  185   1HG   LYS  22          2HG       LYS  22   7.193  12.115  -3.664
  186   2HG   LYS  22          1HG       LYS  22   6.032  12.596  -4.902
  187   1HD   LYS  22          2HD       LYS  22   6.729  14.855  -4.812
  188   2HD   LYS  22          1HD       LYS  22   7.633  14.591  -3.319
  189   1HE   LYS  22          2HE       LYS  22   8.750  14.651  -5.779
  190   2HE   LYS  22          1HE       LYS  22   9.433  13.784  -4.405
  191   1HZ   LYS  22          1HZ       LYS  22   8.432  11.766  -5.164
  192   2HZ   LYS  22          2HZ       LYS  22   9.286  12.442  -6.457
  193   3HZ   LYS  22          3HZ       LYS  22   7.601  12.568  -6.400
  194    H    ASN  23           H        ASN  23   4.137  15.256  -1.703
  195    HA   ASN  23           HA       ASN  23   5.574  17.587  -2.335
  196   1HB   ASN  23          2HB       ASN  23   3.090  17.182  -2.648
  197   2HB   ASN  23          1HB       ASN  23   2.903  17.517  -0.929
  198   1HD2  ASN  23          1HD2      ASN  23   2.045  19.450  -0.721
  199   2HD2  ASN  23          2HD2      ASN  23   2.542  20.879  -1.557
  200    H    SER  24           H        SER  24   4.385  16.359   0.772
  201    HA   SER  24           HA       SER  24   5.830  18.520   2.137
  202   1HB   SER  24          2HB       SER  24   3.342  17.130   2.647
  203   2HB   SER  24          1HB       SER  24   4.411  17.033   4.046
  204    HG   SER  24           HG       SER  24   4.576  19.499   3.225
  205    H    VAL  25           H        VAL  25   7.774  17.195   1.402
  206    HA   VAL  25           HA       VAL  25   8.498  14.721   2.303
  207    HB   VAL  25           HB       VAL  25   9.922  16.032   0.832
  208   1HG1  VAL  25          1HG1      VAL  25  10.165  18.194   1.340
  209   2HG1  VAL  25          2HG1      VAL  25  11.459  17.664   2.414
  210   3HG1  VAL  25          3HG1      VAL  25   9.835  17.921   3.051
  211   1HG2  VAL  25          1HG2      VAL  25  11.721  14.863   1.447
  212   2HG2  VAL  25          2HG2      VAL  25  10.782  14.357   2.853
  213   3HG2  VAL  25          3HG2      VAL  25  11.870  15.741   2.970
  214    H    GLY  26           H        GLY  26   9.202  13.803   4.163
  215   1HA   GLY  26          2HA       GLY  26   9.891  15.424   6.466
  216   2HA   GLY  26          1HA       GLY  26   8.385  14.533   6.621
  217    H    ARG  27           H        ARG  27   8.463  12.203   6.500
  218    HA   ARG  27           HA       ARG  27  11.047  10.915   6.642
  219   1HB   ARG  27          2HB       ARG  27  10.658   9.921   8.860
  220   2HB   ARG  27          1HB       ARG  27  10.809  11.671   8.938
  221   1HG   ARG  27          2HG       ARG  27   8.469  11.942   9.246
  222   2HG   ARG  27          1HG       ARG  27   8.163  10.243   8.877
  223   1HD   ARG  27          2HD       ARG  27   8.598   9.609  10.972
  224   2HD   ARG  27          1HD       ARG  27  10.066  10.582  11.044
  225    HE   ARG  27           HE       ARG  27   8.183  12.452  11.314
  226   1HH1  ARG  27          1HH1      ARG  27   8.572   9.354  12.859
  227   2HH1  ARG  27          2HH1      ARG  27   7.795   9.843  14.328
  228   1HH2  ARG  27          1HH2      ARG  27   7.161  13.107  13.246
  229   2HH2  ARG  27          2HH2      ARG  27   6.993  11.977  14.547
  230    H    TRP  28           H        TRP  28  10.955   8.672   6.398
  231    HA   TRP  28           HA       TRP  28   8.764   7.697   4.896
  232   1HB   TRP  28          2HB       TRP  28  11.208   6.395   6.078
  233   2HB   TRP  28          1HB       TRP  28   9.992   5.456   5.223
  234    HD1  TRP  28           HD       TRP  28  12.939   7.723   4.657
  235    HE1  TRP  28           1HE      TRP  28  13.397   7.922   2.133
  236    HE3  TRP  28           3HE      TRP  28   8.684   5.511   2.883
  237    HZ2  TRP  28           2HZ      TRP  28  12.122   7.234  -0.291
  238    HZ3  TRP  28           3HZ      TRP  28   8.377   5.327   0.447
  239    HH2  TRP  28           HH       TRP  28  10.064   6.169  -1.104
  240    H    LYS  29           H        LYS  29   7.768   5.510   5.430
  241    HA   LYS  29           HA       LYS  29   7.156   5.196   8.281
  242   1HB   LYS  29          2HB       LYS  29   5.388   6.490   6.650
  243   2HB   LYS  29          1HB       LYS  29   4.849   4.825   6.476
  244   1HG   LYS  29          2HG       LYS  29   3.753   4.997   8.388
  245   2HG   LYS  29          1HG       LYS  29   5.279   5.272   9.229
  246   1HD   LYS  29          2HD       LYS  29   5.095   7.639   8.934
  247   2HD   LYS  29          1HD       LYS  29   3.709   7.450   7.858
  248   1HE   LYS  29          2HE       LYS  29   2.260   7.065   9.570
  249   2HE   LYS  29          1HE       LYS  29   3.483   6.292  10.576
  250   1HZ   LYS  29          1HZ       LYS  29   3.266   9.211  10.065
  251   2HZ   LYS  29          2HZ       LYS  29   4.422   8.464  11.047
  252   3HZ   LYS  29          3HZ       LYS  29   2.789   8.422  11.485
  253    H    GLU  30           H        GLU  30   6.004   3.031   8.649
  254    HA   GLU  30           HA       GLU  30   6.587   1.078   6.538
  255   1HB   GLU  30          2HB       GLU  30   7.517  -0.397   8.508
  256   2HB   GLU  30          1HB       GLU  30   8.558   0.737   7.660
  257   1HG   GLU  30          2HG       GLU  30   8.207   2.379   9.446
  258   2HG   GLU  30          1HG       GLU  30   7.196   1.216  10.301
  259    H    ALA  31           H        ALA  31   4.979  -0.321   6.291
  260    HA   ALA  31           HA       ALA  31   3.336  -1.118   8.576
  261   1HB   ALA  31          1HB       ALA  31   2.432   0.811   6.825
  262   2HB   ALA  31          2HB       ALA  31   1.426  -0.191   7.870
  263   3HB   ALA  31          3HB       ALA  31   1.711  -0.674   6.197
  264    H    THR  32           H        THR  32   2.940  -3.278   8.556
  265    HA   THR  32           HA       THR  32   3.592  -4.728   6.081
  266    HB   THR  32           HB       THR  32   3.266  -6.167   8.676
  267    HG1  THR  32           1HG      THR  32   4.809  -5.001   9.533
  268   1HG2  THR  32          1HG2      THR  32   5.190  -6.481   6.365
  269   2HG2  THR  32          2HG2      THR  32   3.692  -7.387   6.574
  270   3HG2  THR  32          3HG2      THR  32   5.011  -7.584   7.729
  271    H    ILE  33           H        ILE  33   1.978  -5.496   4.922
  272    HA   ILE  33           HA       ILE  33  -0.565  -6.152   6.269
  273    HB   ILE  33           HB       ILE  33  -0.661  -5.717   3.361
  274   1HG1  ILE  33          2HG1      ILE  33   0.974  -3.972   4.027
  275   2HG1  ILE  33          1HG1      ILE  33  -0.541  -3.286   3.457
  276   1HG2  ILE  33          1HG2      ILE  33  -2.314  -4.481   5.548
  277   2HG2  ILE  33          2HG2      ILE  33  -2.597  -6.103   4.917
  278   3HG2  ILE  33          3HG2      ILE  33  -2.745  -4.705   3.852
  279   1HD1  ILE  33          1HD1      ILE  33  -0.605  -2.076   5.299
  280   2HD1  ILE  33          2HD1      ILE  33   0.793  -2.925   5.957
  281   3HD1  ILE  33          3HD1      ILE  33  -0.830  -3.563   6.221
  282    HA   PRO  34           HA       PRO  34   0.765 -10.220   4.775
  283   1HB   PRO  34          2HB       PRO  34  -1.406 -11.240   6.440
  284   2HB   PRO  34          1HB       PRO  34   0.333 -11.514   6.576
  285   1HG   PRO  34          2HG       PRO  34  -1.052 -10.028   8.366
  286   2HG   PRO  34          1HG       PRO  34   0.643  -9.702   7.958
  287   1HD   PRO  34          2HD       PRO  34  -1.838  -8.324   6.990
  288   2HD   PRO  34          1HD       PRO  34  -0.279  -7.626   7.480
  289    H    GLY  35           H        GLY  35   0.048 -10.103   2.661
  290   1HA   GLY  35          2HA       GLY  35  -1.358 -10.378   0.856
  291   2HA   GLY  35          1HA       GLY  35  -1.933 -11.750   1.786
  292    H    HIS  36           H        HIS  36  -2.298  -8.266   2.385
  293    HA   HIS  36           HA       HIS  36  -4.141  -6.983   2.753
  294   1HB   HIS  36          2HB       HIS  36  -4.419  -8.059   0.268
  295   2HB   HIS  36          1HB       HIS  36  -5.912  -8.602   1.032
  296    HD2  HIS  36           2HD      HIS  36  -4.092  -5.205   0.248
  297    HE1  HIS  36           1HE      HIS  36  -8.248  -4.549   0.709
  298    HE2  HIS  36           2HE      HIS  36  -6.003  -3.451   0.285
  299    H    LEU  37           H        LEU  37  -4.237  -7.834   4.936
  300    HA   LEU  37           HA       LEU  37  -5.906 -10.030   5.614
  301   1HB   LEU  37          2HB       LEU  37  -5.471  -9.501   7.849
  302   2HB   LEU  37          1HB       LEU  37  -4.025  -8.995   6.998
  303    HG   LEU  37           HG       LEU  37  -6.212  -7.037   7.638
  304   1HD1  LEU  37          1HD1      LEU  37  -3.988  -7.995   9.417
  305   2HD1  LEU  37          2HD1      LEU  37  -5.712  -7.897   9.773
  306   3HD1  LEU  37          3HD1      LEU  37  -4.760  -6.421   9.617
  307   1HD2  LEU  37          1HD2      LEU  37  -4.502  -5.404   7.374
  308   2HD2  LEU  37          2HD2      LEU  37  -4.413  -6.490   5.987
  309   3HD2  LEU  37          3HD2      LEU  37  -3.247  -6.642   7.302
  310    H    ASN  38           H        ASN  38  -6.430  -6.593   5.227
  311    HA   ASN  38           HA       ASN  38  -9.256  -6.940   5.042
  312   1HB   ASN  38          2HB       ASN  38 -10.015  -5.938   6.994
  313   2HB   ASN  38          1HB       ASN  38  -8.636  -6.858   7.588
  314   1HD2  ASN  38          1HD2      ASN  38  -6.590  -5.174   6.644
  315   2HD2  ASN  38          2HD2      ASN  38  -6.644  -3.700   7.543
  316    H    SER  39           H        SER  39 -10.063  -4.314   5.549
  317    HA   SER  39           HA       SER  39  -8.872  -2.975   3.267
  318   1HB   SER  39          2HB       SER  39 -11.391  -2.780   4.782
  319   2HB   SER  39          1HB       SER  39 -10.752  -1.233   4.226
  320    HG   SER  39           HG       SER  39 -10.498  -2.819   2.191
  321    H    TYR  40           H        TYR  40  -7.002  -1.962   3.677
  322    HA   TYR  40           HA       TYR  40  -6.909  -0.148   5.998
  323   1HB   TYR  40          2HB       TYR  40  -5.394  -1.961   6.441
  324   2HB   TYR  40          1HB       TYR  40  -4.693  -1.844   4.832
  325    HD1  TYR  40           1HD      TYR  40  -5.314   0.493   7.693
  326    HD2  TYR  40           2HD      TYR  40  -2.570  -0.965   4.787
  327    HE1  TYR  40           1HE      TYR  40  -3.591   2.018   8.563
  328    HE2  TYR  40           2HE      TYR  40  -0.839   0.555   5.649
  329    HH   TYR  40           HH       TYR  40  -1.562   2.979   8.074
  330    H    THR  41           H        THR  41  -7.168   1.836   5.210
  331    HA   THR  41           HA       THR  41  -5.611   2.603   2.825
  332    HB   THR  41           HB       THR  41  -7.915   4.308   3.398
  333    HG1  THR  41           1HG      THR  41  -9.290   2.546   2.363
  334   1HG2  THR  41          1HG2      THR  41  -7.480   2.782   0.869
  335   2HG2  THR  41          2HG2      THR  41  -6.348   4.060   1.310
  336   3HG2  THR  41          3HG2      THR  41  -8.059   4.432   1.101
  337    H    ILE  42           H        ILE  42  -4.639   4.632   2.798
  338    HA   ILE  42           HA       ILE  42  -4.089   5.747   5.434
  339    HB   ILE  42           HB       ILE  42  -2.865   6.538   2.789
  340   1HG1  ILE  42          2HG1      ILE  42  -1.532   4.733   4.782
  341   2HG1  ILE  42          1HG1      ILE  42  -2.650   4.059   3.600
  342   1HG2  ILE  42          1HG2      ILE  42  -1.356   7.790   3.951
  343   2HG2  ILE  42          2HG2      ILE  42  -1.470   6.789   5.399
  344   3HG2  ILE  42          3HG2      ILE  42  -2.747   7.946   5.024
  345   1HD1  ILE  42          1HD1      ILE  42  -1.278   4.599   1.812
  346   2HD1  ILE  42          2HD1      ILE  42  -0.143   4.083   3.060
  347   3HD1  ILE  42          3HD1      ILE  42  -0.379   5.801   2.738
  348    H    LYS  43           H        LYS  43  -4.672   7.754   6.104
  349    HA   LYS  43           HA       LYS  43  -6.314   9.352   4.251
  350   1HB   LYS  43          2HB       LYS  43  -6.772   8.452   6.987
  351   2HB   LYS  43          1HB       LYS  43  -6.977  10.189   6.809
  352   1HG   LYS  43          2HG       LYS  43  -9.092   9.109   6.495
  353   2HG   LYS  43          1HG       LYS  43  -8.555   9.774   4.952
  354   1HD   LYS  43          2HD       LYS  43  -8.432   7.748   3.996
  355   2HD   LYS  43          1HD       LYS  43  -7.677   7.025   5.418
  356   1HE   LYS  43          2HE       LYS  43 -10.590   7.727   5.402
  357   2HE   LYS  43          1HE       LYS  43 -10.019   6.210   4.707
  358   1HZ   LYS  43          1HZ       LYS  43 -10.706   6.004   7.043
  359   2HZ   LYS  43          2HZ       LYS  43  -9.492   7.091   7.493
  360   3HZ   LYS  43          3HZ       LYS  43  -9.079   5.598   6.815
  361    H    GLY  44           H        GLY  44  -6.139  11.618   4.316
  362   1HA   GLY  44          2HA       GLY  44  -5.177  13.610   5.364
  363   2HA   GLY  44          1HA       GLY  44  -3.759  12.642   5.738
  364    H    LEU  45           H        LEU  45  -5.280  12.263   2.658
  365    HA   LEU  45           HA       LEU  45  -3.153  13.869   1.399
  366   1HB   LEU  45          2HB       LEU  45  -4.274  11.321   0.242
  367   2HB   LEU  45          1HB       LEU  45  -2.902  12.239  -0.332
  368    HG   LEU  45           HG       LEU  45  -1.685  11.608   1.770
  369   1HD1  LEU  45          1HD1      LEU  45  -2.690   9.441   2.796
  370   2HD1  LEU  45          2HD1      LEU  45  -4.220  10.089   2.204
  371   3HD1  LEU  45          3HD1      LEU  45  -3.255  11.015   3.353
  372   1HD2  LEU  45          1HD2      LEU  45  -1.298   9.262   1.044
  373   2HD2  LEU  45          2HD2      LEU  45  -1.223  10.437  -0.268
  374   3HD2  LEU  45          3HD2      LEU  45  -2.656   9.429  -0.069
  375    H    LYS  46           H        LYS  46  -3.720  14.254  -1.006
  376    HA   LYS  46           HA       LYS  46  -6.345  14.214  -1.933
  377   1HB   LYS  46          2HB       LYS  46  -6.939  16.594  -1.692
  378   2HB   LYS  46          1HB       LYS  46  -6.837  15.782  -0.140
  379   1HG   LYS  46          2HG       LYS  46  -4.724  16.798   0.321
  380   2HG   LYS  46          1HG       LYS  46  -4.632  17.459  -1.312
  381   1HD   LYS  46          2HD       LYS  46  -5.919  19.216  -0.788
  382   2HD   LYS  46          1HD       LYS  46  -7.068  18.217   0.104
  383   1HE   LYS  46          2HE       LYS  46  -5.968  18.485   2.093
  384   2HE   LYS  46          1HE       LYS  46  -4.402  18.721   1.318
  385   1HZ   LYS  46          1HZ       LYS  46  -5.955  20.680   2.360
  386   2HZ   LYS  46          2HZ       LYS  46  -6.297  20.791   0.708
  387   3HZ   LYS  46          3HZ       LYS  46  -4.700  20.916   1.250
  388    HA   PRO  47           HA       PRO  47  -4.675  15.350  -5.840
  389   1HB   PRO  47          2HB       PRO  47  -6.405  17.792  -5.762
  390   2HB   PRO  47          1HB       PRO  47  -6.178  16.623  -7.070
  391   1HG   PRO  47          2HG       PRO  47  -8.358  16.513  -5.585
  392   2HG   PRO  47          1HG       PRO  47  -7.514  15.016  -6.026
  393   1HD   PRO  47          2HD       PRO  47  -7.553  16.471  -3.421
  394   2HD   PRO  47          1HD       PRO  47  -7.503  14.727  -3.741
  395    H    GLY  48           H        GLY  48  -4.787  17.739  -3.307
  396   1HA   GLY  48          2HA       GLY  48  -2.878  19.507  -4.572
  397   2HA   GLY  48          1HA       GLY  48  -3.538  19.667  -2.952
  398    H    VAL  49           H        VAL  49  -2.835  17.012  -2.073
  399    HA   VAL  49           HA       VAL  49   0.089  17.342  -1.910
  400    HB   VAL  49           HB       VAL  49  -1.007  15.662   0.175
  401   1HG1  VAL  49          1HG1      VAL  49   0.605  16.660   1.431
  402   2HG1  VAL  49          2HG1      VAL  49   0.348  18.248   0.707
  403   3HG1  VAL  49          3HG1      VAL  49   1.243  17.006  -0.178
  404   1HG2  VAL  49          1HG2      VAL  49  -2.706  16.839   0.987
  405   2HG2  VAL  49          2HG2      VAL  49  -2.635  17.873  -0.440
  406   3HG2  VAL  49          3HG2      VAL  49  -1.727  18.308   1.009
  407    H    VAL  50           H        VAL  50   1.291  15.790  -2.721
  408    HA   VAL  50           HA       VAL  50   0.054  13.190  -3.298
  409    HB   VAL  50           HB       VAL  50   0.973  14.071  -5.288
  410   1HG1  VAL  50          1HG1      VAL  50   3.346  14.823  -3.605
  411   2HG1  VAL  50          2HG1      VAL  50   2.291  15.873  -4.551
  412   3HG1  VAL  50          3HG1      VAL  50   3.412  14.783  -5.368
  413   1HG2  VAL  50          1HG2      VAL  50   1.539  11.707  -4.843
  414   2HG2  VAL  50          2HG2      VAL  50   3.085  12.227  -4.171
  415   3HG2  VAL  50          3HG2      VAL  50   2.724  12.509  -5.875
  416    H    TYR  51           H        TYR  51   0.709  11.396  -2.261
  417    HA   TYR  51           HA       TYR  51   3.023  11.646  -0.453
  418   1HB   TYR  51          2HB       TYR  51   0.453  10.098  -0.201
  419   2HB   TYR  51          1HB       TYR  51   1.880   9.659   0.732
  420    HD1  TYR  51           1HD      TYR  51   1.514  10.255   2.930
  421    HD2  TYR  51           2HD      TYR  51   0.418  12.995  -0.136
  422    HE1  TYR  51           1HE      TYR  51   0.922  11.920   4.638
  423    HE2  TYR  51           2HE      TYR  51  -0.176  14.669   1.565
  424    HH   TYR  51           HH       TYR  51  -0.100  13.897   5.009
  425    H    GLU  52           H        GLU  52   4.765  10.522  -1.048
  426    HA   GLU  52           HA       GLU  52   4.542   8.508  -3.102
  427   1HB   GLU  52          2HB       GLU  52   6.572   9.405  -3.482
  428   2HB   GLU  52          1HB       GLU  52   6.671  10.070  -1.859
  429   1HG   GLU  52          2HG       GLU  52   8.487   8.625  -2.019
  430   2HG   GLU  52          1HG       GLU  52   7.282   7.712  -1.111
  431    H    GLY  53           H        GLY  53   4.337   6.381  -2.804
  432   1HA   GLY  53          2HA       GLY  53   4.909   5.298  -0.119
  433   2HA   GLY  53          1HA       GLY  53   3.452   4.862  -0.997
  434    H    GLN  54           H        GLN  54   5.357   3.022   0.003
  435    HA   GLN  54           HA       GLN  54   6.242   1.856  -2.550
  436   1HB   GLN  54          2HB       GLN  54   8.244   2.738  -1.589
  437   2HB   GLN  54          1HB       GLN  54   7.847   2.081  -0.007
  438   1HG   GLN  54          2HG       GLN  54   8.587   0.017  -0.520
  439   2HG   GLN  54          1HG       GLN  54   8.076   0.130  -2.203
  440   1HE2  GLN  54          1HE2      GLN  54  10.044   2.548  -0.637
  441   2HE2  GLN  54          2HE2      GLN  54  11.495   2.221  -1.516
  442    H    LEU  55           H        LEU  55   5.378  -0.073  -2.855
  443    HA   LEU  55           HA       LEU  55   4.585  -1.641  -0.493
  444   1HB   LEU  55          2HB       LEU  55   3.352  -1.231  -3.157
  445   2HB   LEU  55          1HB       LEU  55   3.246  -2.848  -2.488
  446    HG   LEU  55           HG       LEU  55   2.385  -0.456  -0.894
  447   1HD1  LEU  55          1HD1      LEU  55   1.273  -0.906  -3.290
  448   2HD1  LEU  55          2HD1      LEU  55   0.365  -0.317  -1.898
  449   3HD1  LEU  55          3HD1      LEU  55   0.332  -2.032  -2.311
  450   1HD2  LEU  55          1HD2      LEU  55   1.128  -2.024   0.361
  451   2HD2  LEU  55          2HD2      LEU  55   2.746  -2.699   0.172
  452   3HD2  LEU  55          3HD2      LEU  55   1.419  -3.301  -0.821
  453    H    ILE  56           H        ILE  56   6.149  -3.050  -0.063
  454    HA   ILE  56           HA       ILE  56   7.399  -4.497  -2.300
  455    HB   ILE  56           HB       ILE  56   8.482  -4.034   0.484
  456   1HG1  ILE  56          2HG1      ILE  56   9.704  -2.999  -2.049
  457   2HG1  ILE  56          1HG1      ILE  56   8.392  -2.117  -1.284
  458   1HG2  ILE  56          1HG2      ILE  56   9.069  -6.205  -0.793
  459   2HG2  ILE  56          2HG2      ILE  56  10.372  -5.252  -0.079
  460   3HG2  ILE  56          3HG2      ILE  56  10.046  -5.144  -1.809
  461   1HD1  ILE  56          1HD1      ILE  56  10.007  -1.090  -0.147
  462   2HD1  ILE  56          2HD1      ILE  56  11.193  -2.339  -0.526
  463   3HD1  ILE  56          3HD1      ILE  56  10.072  -2.565   0.816
  464    H    SER  57           H        SER  57   6.768  -6.539  -2.529
  465    HA   SER  57           HA       SER  57   5.329  -7.861  -0.410
  466   1HB   SER  57          2HB       SER  57   6.145  -9.323  -2.879
  467   2HB   SER  57          1HB       SER  57   4.623  -9.376  -1.988
  468    HG   SER  57           HG       SER  57   4.407  -8.278  -3.984
  469    H    ILE  58           H        ILE  58   6.024  -9.406   0.860
  470    HA   ILE  58           HA       ILE  58   8.813 -10.300   0.599
  471    HB   ILE  58           HB       ILE  58   7.241  -9.506   3.018
  472   1HG1  ILE  58          2HG1      ILE  58   9.846  -8.745   3.346
  473   2HG1  ILE  58          1HG1      ILE  58   9.688  -8.716   1.591
  474   1HG2  ILE  58          1HG2      ILE  58   8.122 -11.840   3.359
  475   2HG2  ILE  58          2HG2      ILE  58   8.718 -10.635   4.501
  476   3HG2  ILE  58          3HG2      ILE  58   9.744 -11.174   3.171
  477   1HD1  ILE  58          1HD1      ILE  58   8.493  -6.968   3.633
  478   2HD1  ILE  58          2HD1      ILE  58   7.449  -7.403   2.280
  479   3HD1  ILE  58          3HD1      ILE  58   8.998  -6.614   1.981
  480    H    GLN  59           H        GLN  59   9.235 -12.423   0.569
  481    HA   GLN  59           HA       GLN  59   7.004 -14.287   0.630
  482   1HB   GLN  59          2HB       GLN  59   9.435 -14.159  -0.772
  483   2HB   GLN  59          1HB       GLN  59   9.595 -15.532   0.313
  484   1HG   GLN  59          2HG       GLN  59   7.409 -15.096  -1.709
  485   2HG   GLN  59          1HG       GLN  59   8.746 -16.240  -1.833
  486   1HE2  GLN  59          1HE2      GLN  59   5.798 -15.456  -0.122
  487   2HE2  GLN  59          2HE2      GLN  59   5.499 -17.046   0.487
  488    H    GLN  60           H        GLN  60   7.883 -16.575   1.588
  489    HA   GLN  60           HA       GLN  60   7.812 -16.259   4.384
  490   1HB   GLN  60          2HB       GLN  60   8.807 -18.745   3.012
  491   2HB   GLN  60          1HB       GLN  60   7.913 -18.611   4.520
  492   1HG   GLN  60          2HG       GLN  60   6.328 -17.483   2.456
  493   2HG   GLN  60          1HG       GLN  60   6.923 -19.049   1.905
  494   1HE2  GLN  60          1HE2      GLN  60   7.064 -20.320   4.404
  495   2HE2  GLN  60          2HE2      GLN  60   5.452 -20.576   4.971
  496    H    TYR  61           H        TYR  61  10.428 -16.552   2.099
  497    HA   TYR  61           HA       TYR  61  12.374 -16.690   4.291
  498   1HB   TYR  61          2HB       TYR  61  14.025 -17.268   2.563
  499   2HB   TYR  61          1HB       TYR  61  12.657 -18.375   2.546
  500    HD1  TYR  61           1HD      TYR  61  14.603 -16.009   0.653
  501    HD2  TYR  61           2HD      TYR  61  10.908 -18.115   0.754
  502    HE1  TYR  61           1HE      TYR  61  14.299 -15.577  -1.748
  503    HE2  TYR  61           2HE      TYR  61  10.593 -17.690  -1.649
  504    HH   TYR  61           HH       TYR  61  12.980 -16.762  -3.679
  505    H    GLY  62           H        GLY  62  10.791 -14.388   2.629
  506   1HA   GLY  62          2HA       GLY  62  11.298 -12.079   2.978
  507   2HA   GLY  62          1HA       GLY  62  13.005 -12.490   2.994
  508    H    HIS  63           H        HIS  63  11.584 -10.450   1.465
  509    HA   HIS  63           HA       HIS  63  11.701  -9.489  -0.587
  510   1HB   HIS  63          2HB       HIS  63  14.007 -10.945  -0.407
  511   2HB   HIS  63          1HB       HIS  63  13.298 -11.588  -1.884
  512    HD2  HIS  63           2HD      HIS  63  14.833 -10.349  -3.730
  513    HE1  HIS  63           1HE      HIS  63  14.191  -6.403  -2.344
  514    HE2  HIS  63           2HE      HIS  63  15.336  -7.832  -4.097
  515    H    GLN  64           H        GLN  64  10.604  -9.506  -2.522
  516    HA   GLN  64           HA       GLN  64   9.698 -11.870  -3.811
  517   1HB   GLN  64          2HB       GLN  64   8.044 -10.784  -1.683
  518   2HB   GLN  64          1HB       GLN  64   7.198 -10.804  -3.221
  519   1HG   GLN  64          2HG       GLN  64   8.210 -13.051  -1.578
  520   2HG   GLN  64          1HG       GLN  64   6.647 -12.845  -2.363
  521   1HE2  GLN  64          1HE2      GLN  64   9.927 -13.882  -2.739
  522   2HE2  GLN  64          2HE2      GLN  64   9.736 -14.629  -4.286
  523    H    GLU  65           H        GLU  65   8.465  -8.595  -3.168
  524    HA   GLU  65           HA       GLU  65   8.849  -7.905  -5.986
  525   1HB   GLU  65          2HB       GLU  65   6.415  -8.755  -5.145
  526   2HB   GLU  65          1HB       GLU  65   6.282  -7.033  -4.807
  527   1HG   GLU  65          2HG       GLU  65   7.276  -6.938  -7.304
  528   2HG   GLU  65          1HG       GLU  65   6.391  -8.461  -7.383
  529    H    VAL  66           H        VAL  66   9.181  -5.732  -6.365
  530    HA   VAL  66           HA       VAL  66   8.957  -3.912  -4.075
  531    HB   VAL  66           HB       VAL  66  11.377  -4.075  -5.879
  532   1HG1  VAL  66          1HG1      VAL  66  12.259  -2.246  -4.479
  533   2HG1  VAL  66          2HG1      VAL  66  10.707  -2.152  -3.647
  534   3HG1  VAL  66          3HG1      VAL  66  10.810  -1.764  -5.364
  535   1HG2  VAL  66          1HG2      VAL  66  12.390  -4.312  -3.436
  536   2HG2  VAL  66          2HG2      VAL  66  11.829  -5.710  -4.353
  537   3HG2  VAL  66          3HG2      VAL  66  10.796  -4.994  -3.115
  538    H    THR  67           H        THR  67   7.586  -2.389  -4.662
  539    HA   THR  67           HA       THR  67   7.873  -1.187  -7.320
  540    HB   THR  67           HB       THR  67   5.428  -2.464  -6.167
  541    HG1  THR  67           1HG      THR  67   5.480  -3.451  -8.060
  542   1HG2  THR  67          1HG2      THR  67   4.233  -1.043  -8.064
  543   2HG2  THR  67          2HG2      THR  67   5.485   0.126  -7.643
  544   3HG2  THR  67          3HG2      THR  67   4.362  -0.445  -6.409
  545    H    ARG  68           H        ARG  68   8.180   0.917  -7.113
  546    HA   ARG  68           HA       ARG  68   7.106   2.290  -4.738
  547   1HB   ARG  68          2HB       ARG  68   9.283   3.521  -6.349
  548   2HB   ARG  68          1HB       ARG  68   8.998   3.582  -4.616
  549   1HG   ARG  68          2HG       ARG  68  10.200   1.711  -4.212
  550   2HG   ARG  68          1HG       ARG  68   9.727   0.947  -5.731
  551   1HD   ARG  68          2HD       ARG  68  12.041   1.397  -5.908
  552   2HD   ARG  68          1HD       ARG  68  11.225   2.608  -6.895
  553    HE   ARG  68           HE       ARG  68  12.021   3.272  -4.151
  554   1HH1  ARG  68          1HH1      ARG  68  12.335   3.746  -7.589
  555   2HH1  ARG  68          2HH1      ARG  68  13.242   5.213  -7.434
  556   1HH2  ARG  68          1HH2      ARG  68  13.216   5.205  -3.939
  557   2HH2  ARG  68          2HH2      ARG  68  13.744   6.041  -5.360
  558    H    PHE  69           H        PHE  69   5.782   4.000  -4.988
  559    HA   PHE  69           HA       PHE  69   5.657   5.462  -7.478
  560   1HB   PHE  69          2HB       PHE  69   3.172   5.031  -7.731
  561   2HB   PHE  69          1HB       PHE  69   4.234   3.699  -8.172
  562    HD1  PHE  69           1HD      PHE  69   2.359   4.975  -5.197
  563    HD2  PHE  69           2HD      PHE  69   3.698   1.605  -7.424
  564    HE1  PHE  69           1HE      PHE  69   1.122   3.484  -3.679
  565    HE2  PHE  69           2HE      PHE  69   2.465   0.109  -5.909
  566    HZ   PHE  69           HZ       PHE  69   1.176   1.048  -4.034
  567    H    ASP  70           H        ASP  70   4.345   7.357  -7.385
  568    HA   ASP  70           HA       ASP  70   3.896   8.290  -4.640
  569   1HB   ASP  70          2HB       ASP  70   3.651  10.548  -6.034
  570   2HB   ASP  70          1HB       ASP  70   5.229   9.916  -5.574
  571    H    PHE  71           H        PHE  71   1.863   8.396  -3.921
  572    HA   PHE  71           HA       PHE  71  -0.304   8.884  -5.838
  573   1HB   PHE  71          2HB       PHE  71  -1.550   7.029  -5.224
  574   2HB   PHE  71          1HB       PHE  71   0.087   6.380  -5.170
  575    HD1  PHE  71           1HD      PHE  71   1.026   5.588  -3.153
  576    HD2  PHE  71           2HD      PHE  71  -2.703   7.665  -3.079
  577    HE1  PHE  71           1HE      PHE  71   0.695   4.914  -0.811
  578    HE2  PHE  71           2HE      PHE  71  -3.028   6.986  -0.739
  579    HZ   PHE  71           HZ       PHE  71  -1.333   5.610   0.397
  580    H    THR  72           H        THR  72  -2.357   9.423  -4.790
  581    HA   THR  72           HA       THR  72  -2.119  10.478  -2.076
  582    HB   THR  72           HB       THR  72  -1.824  12.545  -2.988
  583    HG1  THR  72           1HG      THR  72  -4.026  12.402  -2.067
  584   1HG2  THR  72          1HG2      THR  72  -2.029  13.104  -5.189
  585   2HG2  THR  72          2HG2      THR  72  -3.548  12.228  -5.383
  586   3HG2  THR  72          3HG2      THR  72  -2.020  11.349  -5.365
  587    H    THR  73           H        THR  73  -3.941  10.151  -0.894
  588    HA   THR  73           HA       THR  73  -5.914   8.387  -1.743
  589    HB   THR  73           HB       THR  73  -5.330   9.106   0.662
  590    HG1  THR  73           1HG      THR  73  -7.186   7.742  -0.139
  591   1HG2  THR  73          1HG2      THR  73  -7.631  10.915   0.674
  592   2HG2  THR  73          2HG2      THR  73  -6.232  11.548  -0.197
  593   3HG2  THR  73          3HG2      THR  73  -6.072  11.056   1.491
  594    H    THR  74           H        THR  74  -5.697  11.838  -1.952
  595    HA   THR  74           HA       THR  74  -6.943  13.446  -2.906
  596    HB   THR  74           HB       THR  74  -8.026  12.933  -5.015
  597    HG1  THR  74           1HG      THR  74  -8.631  10.943  -5.533
  598   1HG2  THR  74          1HG2      THR  74  -6.060  12.511  -6.104
  599   2HG2  THR  74          2HG2      THR  74  -5.638  11.160  -5.046
  600   3HG2  THR  74          3HG2      THR  74  -5.426  12.822  -4.484
  601    H    SER  75           H        SER  75  -8.429  14.410  -1.814
  602    HA   SER  75           HA       SER  75 -10.676  13.049  -0.670
  603   1HB   SER  75          2HB       SER  75  -9.335  15.035   0.305
  604   2HB   SER  75          1HB       SER  75 -10.321  16.039  -0.758
  605    HG   SER  75           HG       SER  75 -11.751  15.937   0.769
  606    H    THR  76           H        THR  76 -10.809  12.759  -3.414
  607    HA   THR  76           HA       THR  76 -13.305  14.164  -3.995
  608    HB   THR  76           HB       THR  76 -11.868  15.541  -5.239
  609    HG1  THR  76           1HG      THR  76 -13.548  14.024  -6.474
  610   1HG2  THR  76          1HG2      THR  76 -10.012  13.595  -5.018
  611   2HG2  THR  76          2HG2      THR  76  -9.861  14.965  -6.117
  612   3HG2  THR  76          3HG2      THR  76 -10.450  13.415  -6.716
  613    H    SER  77           H        SER  77 -14.790  12.676  -4.444
  614    HA   SER  77           HA       SER  77 -14.116  10.434  -6.173
  615   1HB   SER  77          2HB       SER  77 -15.156  10.114  -3.355
  616   2HB   SER  77          1HB       SER  77 -15.282   8.844  -4.573
  617    HG   SER  77           HG       SER  77 -12.881   9.258  -4.778
  618    H    THR  78           H        THR  78 -15.961  12.938  -5.822
  619    HA   THR  78           HA       THR  78 -18.092  11.907  -7.395
  620    HB   THR  78           HB       THR  78 -19.061  11.080  -5.404
  621    HG1  THR  78           1HG      THR  78 -20.437  13.487  -5.355
  622   1HG2  THR  78          1HG2      THR  78 -17.793  13.400  -4.197
  623   2HG2  THR  78          2HG2      THR  78 -18.290  11.877  -3.462
  624   3HG2  THR  78          3HG2      THR  78 -19.456  13.186  -3.651
  625    HA   PRO  79           HA       PRO  79 -17.383  16.484  -7.637
  626   1HB   PRO  79          2HB       PRO  79 -16.244  16.631 -10.046
  627   2HB   PRO  79          1HB       PRO  79 -15.307  16.167  -8.619
  628   1HG   PRO  79          2HG       PRO  79 -16.431  14.450 -10.790
  629   2HG   PRO  79          1HG       PRO  79 -14.870  14.330  -9.960
  630   1HD   PRO  79          2HD       PRO  79 -17.119  12.814  -9.366
  631   2HD   PRO  79          1HD       PRO  79 -15.747  13.077  -8.274
  632    H    GLY  80           H        GLY  80 -19.588  14.482  -8.593
  633   1HA   GLY  80          2HA       GLY  80 -21.627  15.827  -9.378
  634   2HA   GLY  80          1HA       GLY  80 -20.645  16.117 -10.806
  635    H    SER  81           H        SER  81 -20.844  13.114  -8.968
  636    HA   SER  81           HA       SER  81 -21.400  10.995  -9.576
  637   1HB   SER  81          2HB       SER  81 -23.506  12.493 -11.150
  638   2HB   SER  81          1HB       SER  81 -23.507  10.747 -10.898
  639    HG   SER  81           HG       SER  81 -24.696  12.316  -9.375
  640    H    ARG  82           H        ARG  82 -19.478  10.519 -10.668
  641    HA   ARG  82           HA       ARG  82 -19.032  11.159 -13.395
  642   1HB   ARG  82          2HB       ARG  82 -17.717   9.481 -11.340
  643   2HB   ARG  82          1HB       ARG  82 -17.400   9.043 -13.013
  644   1HG   ARG  82          2HG       ARG  82 -16.339  11.048 -13.474
  645   2HG   ARG  82          1HG       ARG  82 -17.100  11.879 -12.115
  646   1HD   ARG  82          2HD       ARG  82 -15.599  11.071 -10.602
  647   2HD   ARG  82          1HD       ARG  82 -15.336   9.575 -11.497
  648    HE   ARG  82           HE       ARG  82 -14.308  11.880 -12.852
  649   1HH1  ARG  82          1HH1      ARG  82 -13.635   9.506 -10.390
  650   2HH1  ARG  82          2HH1      ARG  82 -11.915   9.653 -10.539
  651   1HH2  ARG  82          1HH2      ARG  82 -12.048  12.081 -13.052
  652   2HH2  ARG  82          2HH2      ARG  82 -11.013  11.118 -12.051
  653    H    SER  83           H        SER  83 -19.299   7.866 -12.076
  654    HA   SER  83           HA       SER  83 -20.175   5.950 -12.937
  655   1HB   SER  83          2HB       SER  83 -22.211   8.035 -13.586
  656   2HB   SER  83          1HB       SER  83 -22.408   6.430 -14.290
  657    HG   SER  83           HG       SER  83 -22.346   5.574 -12.178
  658    H    HIS  84           H        HIS  84 -21.548   5.424 -15.328
  659    HA   HIS  84           HA       HIS  84 -19.644   6.252 -17.407
  660   1HB   HIS  84          2HB       HIS  84 -19.842   3.857 -18.293
  661   2HB   HIS  84          1HB       HIS  84 -18.840   4.104 -16.868
  662    HD2  HIS  84           2HD      HIS  84 -21.668   1.918 -18.041
  663    HE1  HIS  84           1HE      HIS  84 -21.634   1.697 -13.815
  664    HE2  HIS  84           2HE      HIS  84 -22.693   0.799 -15.937
  665    H    HIS  85           H        HIS  85 -20.949   7.514 -18.607
  666    HA   HIS  85           HA       HIS  85 -23.473   6.330 -19.564
  667   1HB   HIS  85          2HB       HIS  85 -22.795   9.097 -18.690
  668   2HB   HIS  85          1HB       HIS  85 -23.937   8.916 -20.018
  669    HD2  HIS  85           2HD      HIS  85 -26.291   7.415 -19.330
  670    HE1  HIS  85           1HE      HIS  85 -25.778   8.172 -15.197
  671    HE2  HIS  85           2HE      HIS  85 -27.430   7.504 -17.001
  672    H    HIS  86           H        HIS  86 -24.144   7.080 -21.744
  673    HA   HIS  86           HA       HIS  86 -21.785   7.334 -23.481
  674   1HB   HIS  86          2HB       HIS  86 -22.969   6.169 -25.174
  675   2HB   HIS  86          1HB       HIS  86 -23.283   5.289 -23.683
  676    HD2  HIS  86           2HD      HIS  86 -25.256   5.775 -26.534
  677    HE1  HIS  86           1HE      HIS  86 -27.896   7.019 -23.470
  678    HE2  HIS  86           2HE      HIS  86 -27.729   6.138 -25.841
  679    H    HIS  87           H        HIS  87 -24.353   9.085 -22.277
  680    HA   HIS  87           HA       HIS  87 -24.310  10.916 -24.587
  681   1HB   HIS  87          2HB       HIS  87 -26.521   9.731 -23.939
  682   2HB   HIS  87          1HB       HIS  87 -26.542  10.844 -22.575
  683    HD2  HIS  87           2HD      HIS  87 -28.762  12.169 -23.585
  684    HE1  HIS  87           1HE      HIS  87 -26.739  13.718 -26.965
  685    HE2  HIS  87           2HE      HIS  87 -28.920  13.701 -25.672
  686    H    HIS  88           H        HIS  88 -25.060  10.990 -21.096
  687    HA   HIS  88           HA       HIS  88 -23.716  13.601 -20.944
  688   1HB   HIS  88          2HB       HIS  88 -26.109  12.489 -19.708
  689   2HB   HIS  88          1HB       HIS  88 -25.013  13.186 -18.519
  690    HD2  HIS  88           2HD      HIS  88 -24.047  15.848 -19.986
  691    HE1  HIS  88           1HE      HIS  88 -28.172  16.591 -20.579
  692    HE2  HIS  88           2HE      HIS  88 -25.875  17.647 -20.383
  693    H    HIS  89           H        HIS  89 -21.613  13.184 -20.553
  694    HA   HIS  89           HA       HIS  89 -20.577  11.057 -19.066
  695   1HB   HIS  89          2HB       HIS  89 -18.529  12.596 -18.860
  696   2HB   HIS  89          1HB       HIS  89 -19.059  12.159 -20.481
  697    HD2  HIS  89           2HD      HIS  89 -19.387  14.245 -22.124
  698    HE1  HIS  89           1HE      HIS  89 -19.647  17.245 -19.152
  699    HE2  HIS  89           2HE      HIS  89 -19.737  16.769 -21.639
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  19.844 -17.378   7.458
    2   2H    MET   1          2HT       MET   1  19.314 -15.831   7.026
    3   3H    MET   1          3HT       MET   1  20.102 -16.800   5.888
    4    HA   MET   1           HA       MET   1  17.655 -16.668   5.597
    5   1HB   MET   1          2HB       MET   1  17.444 -19.073   5.167
    6   2HB   MET   1          1HB       MET   1  19.021 -18.480   4.668
    7   1HG   MET   1          2HG       MET   1  20.120 -19.554   6.392
    8   2HG   MET   1          1HG       MET   1  18.661 -19.689   7.372
    9   1HE   MET   1          1HE       MET   1  20.089 -21.564   3.751
   10   2HE   MET   1          2HE       MET   1  20.672 -22.665   5.000
   11   3HE   MET   1          3HE       MET   1  21.032 -20.942   5.105
   12    H    ARG   2           H        ARG   2  18.729 -17.224   8.719
   13    HA   ARG   2           HA       ARG   2  17.716 -17.556  10.724
   14   1HB   ARG   2          2HB       ARG   2  15.297 -16.659   9.151
   15   2HB   ARG   2          1HB       ARG   2  15.330 -16.836  10.900
   16   1HG   ARG   2          2HG       ARG   2  15.864 -14.669  10.897
   17   2HG   ARG   2          1HG       ARG   2  17.485 -15.233  10.482
   18   1HD   ARG   2          2HD       ARG   2  17.052 -13.605   8.878
   19   2HD   ARG   2          1HD       ARG   2  16.675 -15.113   8.045
   20    HE   ARG   2           HE       ARG   2  14.330 -14.625   8.390
   21   1HH1  ARG   2          1HH1      ARG   2  16.559 -12.011   8.986
   22   2HH1  ARG   2          2HH1      ARG   2  15.364 -10.775   8.773
   23   1HH2  ARG   2          1HH2      ARG   2  12.755 -13.007   8.109
   24   2HH2  ARG   2          2HH2      ARG   2  13.200 -11.341   8.274
   25    H    GLY   3           H        GLY   3  15.331 -18.562  11.559
   26   1HA   GLY   3          2HA       GLY   3  15.432 -21.299  10.468
   27   2HA   GLY   3          1HA       GLY   3  14.977 -20.888  12.114
   28    H    SER   4           H        SER   4  13.067 -22.140  11.842
   29    HA   SER   4           HA       SER   4  11.038 -20.892  10.109
   30   1HB   SER   4          2HB       SER   4  10.820 -23.654  11.298
   31   2HB   SER   4          1HB       SER   4   9.953 -22.983   9.917
   32    HG   SER   4           HG       SER   4  11.476 -24.049   8.886
   33    H    ASN   5           H        ASN   5   9.201 -20.100  10.980
   34    HA   ASN   5           HA       ASN   5   8.806 -20.464  13.878
   35   1HB   ASN   5          2HB       ASN   5   9.575 -18.136  12.907
   36   2HB   ASN   5          1HB       ASN   5   7.872 -17.983  12.488
   37   1HD2  ASN   5          1HD2      ASN   5   6.316 -18.195  14.226
   38   2HD2  ASN   5          2HD2      ASN   5   6.756 -17.686  15.818
   39    H    ALA   6           H        ALA   6   7.495 -22.305  13.020
   40    HA   ALA   6           HA       ALA   6   5.471 -23.292  12.717
   41   1HB   ALA   6          1HB       ALA   6   4.680 -21.858  14.490
   42   2HB   ALA   6          2HB       ALA   6   3.437 -21.998  13.246
   43   3HB   ALA   6          3HB       ALA   6   4.420 -20.537  13.350
   44    HA   PRO   7           HA       PRO   7   4.973 -22.532   8.350
   45   1HB   PRO   7          2HB       PRO   7   3.190 -24.538   7.866
   46   2HB   PRO   7          1HB       PRO   7   4.928 -24.804   8.048
   47   1HG   PRO   7          2HG       PRO   7   2.734 -25.169  10.053
   48   2HG   PRO   7          1HG       PRO   7   4.128 -26.212   9.716
   49   1HD   PRO   7          2HD       PRO   7   4.074 -24.517  11.817
   50   2HD   PRO   7          1HD       PRO   7   5.572 -24.892  10.942
   51    H    GLN   8           H        GLN   8   3.591 -21.346   7.146
   52    HA   GLN   8           HA       GLN   8   0.936 -20.788   8.296
   53   1HB   GLN   8          2HB       GLN   8   2.888 -18.999   6.862
   54   2HB   GLN   8          1HB       GLN   8   1.185 -18.583   6.999
   55   1HG   GLN   8          2HG       GLN   8   1.321 -18.500   9.377
   56   2HG   GLN   8          1HG       GLN   8   2.956 -19.162   9.359
   57   1HE2  GLN   8          1HE2      GLN   8   4.672 -17.847   8.799
   58   2HE2  GLN   8          2HE2      GLN   8   4.536 -16.127   8.708
   59    HA   PRO   9           HA       PRO   9  -1.140 -22.138   4.656
   60   1HB   PRO   9          2HB       PRO   9  -2.805 -19.981   4.137
   61   2HB   PRO   9          1HB       PRO   9  -3.151 -21.279   5.285
   62   1HG   PRO   9          2HG       PRO   9  -2.064 -18.544   5.781
   63   2HG   PRO   9          1HG       PRO   9  -3.216 -19.487   6.743
   64   1HD   PRO   9          2HD       PRO   9  -0.648 -19.242   7.476
   65   2HD   PRO   9          1HD       PRO   9  -1.546 -20.753   7.732
   66    H    SER  10           H        SER  10  -2.113 -20.838   2.498
   67    HA   SER  10           HA       SER  10   0.212 -20.312   0.965
   68   1HB   SER  10          2HB       SER  10  -1.833 -19.377  -0.593
   69   2HB   SER  10          1HB       SER  10  -1.347 -21.069  -0.496
   70    HG   SER  10           HG       SER  10  -3.618 -20.706  -0.148
   71    H    HIS  11           H        HIS  11  -0.850 -18.145  -0.665
   72    HA   HIS  11           HA       HIS  11  -0.702 -15.882  -0.855
   73   1HB   HIS  11          2HB       HIS  11  -1.896 -16.259   1.844
   74   2HB   HIS  11          1HB       HIS  11  -1.257 -14.661   1.468
   75    HD2  HIS  11           2HD      HIS  11  -2.831 -13.107  -0.099
   76    HE1  HIS  11           1HE      HIS  11  -5.710 -16.080  -0.982
   77    HE2  HIS  11           2HE      HIS  11  -5.200 -13.597  -1.036
   78    H    ILE  12           H        ILE  12   0.430 -13.887   0.155
   79    HA   ILE  12           HA       ILE  12   3.164 -14.618   0.608
   80    HB   ILE  12           HB       ILE  12   2.696 -12.653  -0.716
   81   1HG1  ILE  12          2HG1      ILE  12   3.800 -10.941   1.160
   82   2HG1  ILE  12          1HG1      ILE  12   4.269 -12.534   1.745
   83   1HG2  ILE  12          1HG2      ILE  12   0.820 -12.103   1.390
   84   2HG2  ILE  12          2HG2      ILE  12   0.934 -11.397  -0.223
   85   3HG2  ILE  12          3HG2      ILE  12   1.862 -10.708   1.110
   86   1HD1  ILE  12          1HD1      ILE  12   5.507 -13.005  -0.153
   87   2HD1  ILE  12          2HD1      ILE  12   5.832 -11.296   0.132
   88   3HD1  ILE  12          3HD1      ILE  12   4.683 -11.780  -1.115
   89    H    SER  13           H        SER  13   4.419 -14.278   2.452
   90    HA   SER  13           HA       SER  13   3.287 -14.806   4.925
   91   1HB   SER  13          2HB       SER  13   5.775 -14.919   4.198
   92   2HB   SER  13          1HB       SER  13   5.841 -13.222   4.673
   93    HG   SER  13           HG       SER  13   4.730 -14.254   6.691
   94    H    LYS  14           H        LYS  14   4.208 -11.705   3.501
   95    HA   LYS  14           HA       LYS  14   2.144 -10.259   4.727
   96   1HB   LYS  14          2HB       LYS  14   3.627  -8.819   6.214
   97   2HB   LYS  14          1HB       LYS  14   3.238 -10.426   6.813
   98   1HG   LYS  14          2HG       LYS  14   5.431 -11.224   6.034
   99   2HG   LYS  14          1HG       LYS  14   5.818  -9.587   5.507
  100   1HD   LYS  14          2HD       LYS  14   4.953  -9.331   8.154
  101   2HD   LYS  14          1HD       LYS  14   5.993 -10.756   8.136
  102   1HE   LYS  14          2HE       LYS  14   7.761  -9.452   7.063
  103   2HE   LYS  14          1HE       LYS  14   6.720  -8.028   7.070
  104   1HZ   LYS  14          1HZ       LYS  14   7.174  -7.627   9.203
  105   2HZ   LYS  14          2HZ       LYS  14   8.481  -8.683   9.011
  106   3HZ   LYS  14          3HZ       LYS  14   7.024  -9.250   9.658
  107    H    TYR  15           H        TYR  15   2.016  -8.143   3.966
  108    HA   TYR  15           HA       TYR  15   3.922  -7.489   1.827
  109   1HB   TYR  15          2HB       TYR  15   1.064  -7.292   2.074
  110   2HB   TYR  15          1HB       TYR  15   1.728  -5.684   1.823
  111    HD1  TYR  15           1HD      TYR  15   1.181  -8.979   0.348
  112    HD2  TYR  15           2HD      TYR  15   2.873  -5.117  -0.259
  113    HE1  TYR  15           1HE      TYR  15   1.338  -9.433  -2.063
  114    HE2  TYR  15           2HE      TYR  15   3.040  -5.567  -2.671
  115    HH   TYR  15           HH       TYR  15   2.064  -8.696  -4.033
  116    H    ILE  16           H        ILE  16   4.692  -5.285   1.642
  117    HA   ILE  16           HA       ILE  16   4.743  -3.918   4.248
  118    HB   ILE  16           HB       ILE  16   6.927  -4.747   2.645
  119   1HG1  ILE  16          2HG1      ILE  16   6.779  -4.638   5.125
  120   2HG1  ILE  16          1HG1      ILE  16   8.237  -3.873   4.500
  121   1HG2  ILE  16          1HG2      ILE  16   8.096  -2.759   2.068
  122   2HG2  ILE  16          2HG2      ILE  16   6.939  -1.736   2.921
  123   3HG2  ILE  16          3HG2      ILE  16   6.465  -2.539   1.430
  124   1HD1  ILE  16          1HD1      ILE  16   7.700  -2.146   5.792
  125   2HD1  ILE  16          2HD1      ILE  16   6.061  -2.745   6.053
  126   3HD1  ILE  16          3HD1      ILE  16   6.435  -1.795   4.615
  127    H    LEU  17           H        LEU  17   4.648  -1.729   4.345
  128    HA   LEU  17           HA       LEU  17   4.076  -0.320   1.853
  129   1HB   LEU  17          2HB       LEU  17   2.139  -0.921   3.744
  130   2HB   LEU  17          1HB       LEU  17   2.594   0.730   4.126
  131    HG   LEU  17           HG       LEU  17   2.293   0.712   1.350
  132   1HD1  LEU  17          1HD1      LEU  17   0.256  -0.316   0.843
  133   2HD1  LEU  17          2HD1      LEU  17  -0.145  -0.571   2.541
  134   3HD1  LEU  17          3HD1      LEU  17   1.131  -1.523   1.784
  135   1HD2  LEU  17          1HD2      LEU  17  -0.082   1.640   2.629
  136   2HD2  LEU  17          2HD2      LEU  17   1.244   2.574   1.938
  137   3HD2  LEU  17          3HD2      LEU  17   1.309   2.064   3.625
  138    H    ARG  18           H        ARG  18   5.726   0.985   1.686
  139    HA   ARG  18           HA       ARG  18   6.618   2.466   4.066
  140   1HB   ARG  18          2HB       ARG  18   8.253   1.744   1.618
  141   2HB   ARG  18          1HB       ARG  18   8.832   2.622   3.026
  142   1HG   ARG  18          2HG       ARG  18   9.038   0.749   4.282
  143   2HG   ARG  18          1HG       ARG  18   7.673  -0.056   3.505
  144   1HD   ARG  18          2HD       ARG  18   9.065  -1.183   2.195
  145   2HD   ARG  18          1HD       ARG  18   9.709   0.329   1.558
  146    HE   ARG  18           HE       ARG  18  11.551   0.080   2.903
  147   1HH1  ARG  18          1HH1      ARG  18   9.063  -2.132   3.932
  148   2HH1  ARG  18          2HH1      ARG  18  10.099  -2.995   5.018
  149   1HH2  ARG  18          1HH2      ARG  18  12.923  -1.054   4.330
  150   2HH2  ARG  18          2HH2      ARG  18  12.292  -2.382   5.245
  151    H    TRP  19           H        TRP  19   6.301   4.638   3.906
  152    HA   TRP  19           HA       TRP  19   6.347   5.837   1.288
  153   1HB   TRP  19          2HB       TRP  19   4.144   6.086   0.893
  154   2HB   TRP  19          1HB       TRP  19   3.995   4.708   1.970
  155    HD1  TRP  19           HD       TRP  19   3.789   8.558   2.093
  156    HE1  TRP  19           1HE      TRP  19   2.110   9.197   3.958
  157    HE3  TRP  19           3HE      TRP  19   2.812   3.898   3.936
  158    HZ2  TRP  19           2HZ      TRP  19   0.581   7.878   5.947
  159    HZ3  TRP  19           3HZ      TRP  19   1.242   3.662   5.814
  160    HH2  TRP  19           HH       TRP  19   0.148   5.615   6.797
  161    H    ARG  20           H        ARG  20   6.000   8.061   1.230
  162    HA   ARG  20           HA       ARG  20   5.929   9.603   3.642
  163   1HB   ARG  20          2HB       ARG  20   8.198  10.700   2.484
  164   2HB   ARG  20          1HB       ARG  20   8.158   9.749   3.950
  165   1HG   ARG  20          2HG       ARG  20   9.880   9.013   2.384
  166   2HG   ARG  20          1HG       ARG  20   8.699   7.755   2.743
  167   1HD   ARG  20          2HD       ARG  20   8.267   7.527   0.593
  168   2HD   ARG  20          1HD       ARG  20   7.782   9.217   0.499
  169    HE   ARG  20           HE       ARG  20  10.249   8.078  -0.413
  170   1HH1  ARG  20          1HH1      ARG  20   8.724  10.992   0.743
  171   2HH1  ARG  20          2HH1      ARG  20   9.867  12.045  -0.022
  172   1HH2  ARG  20          1HH2      ARG  20  11.759   9.458  -1.417
  173   2HH2  ARG  20          2HH2      ARG  20  11.592  11.173  -1.249
  174    HA   PRO  21           HA       PRO  21   4.020  12.525   0.963
  175   1HB   PRO  21          2HB       PRO  21   5.395  14.839   1.654
  176   2HB   PRO  21          1HB       PRO  21   4.019  14.182   2.551
  177   1HG   PRO  21          2HG       PRO  21   6.942  13.769   3.000
  178   2HG   PRO  21          1HG       PRO  21   5.702  14.192   4.198
  179   1HD   PRO  21          2HD       PRO  21   6.546  11.719   4.033
  180   2HD   PRO  21          1HD       PRO  21   4.788  12.008   4.095
  181    H    LYS  22           H        LYS  22   4.538  12.161  -1.081
  182    HA   LYS  22           HA       LYS  22   6.916  11.937  -2.352
  183   1HB   LYS  22          2HB       LYS  22   4.642  11.488  -3.265
  184   2HB   LYS  22          1HB       LYS  22   4.462  13.218  -3.544
  185   1HG   LYS  22          2HG       LYS  22   6.883  11.978  -4.681
  186   2HG   LYS  22          1HG       LYS  22   5.349  11.478  -5.394
  187   1HD   LYS  22          2HD       LYS  22   4.779  13.762  -5.893
  188   2HD   LYS  22          1HD       LYS  22   6.202  14.348  -5.028
  189   1HE   LYS  22          2HE       LYS  22   6.566  14.380  -7.438
  190   2HE   LYS  22          1HE       LYS  22   7.649  13.234  -6.649
  191   1HZ   LYS  22          1HZ       LYS  22   6.780  12.208  -8.589
  192   2HZ   LYS  22          2HZ       LYS  22   5.189  12.609  -8.183
  193   3HZ   LYS  22          3HZ       LYS  22   6.033  11.467  -7.263
  194    H    ASN  23           H        ASN  23   5.007  14.963  -2.237
  195    HA   ASN  23           HA       ASN  23   7.327  16.436  -3.213
  196   1HB   ASN  23          2HB       ASN  23   5.205  16.927  -4.275
  197   2HB   ASN  23          1HB       ASN  23   4.473  17.300  -2.717
  198   1HD2  ASN  23          1HD2      ASN  23   6.842  18.329  -5.080
  199   2HD2  ASN  23          2HD2      ASN  23   6.884  19.987  -4.597
  200    H    SER  24           H        SER  24   5.168  16.404  -0.393
  201    HA   SER  24           HA       SER  24   6.501  18.537   0.939
  202   1HB   SER  24          2HB       SER  24   4.282  18.186   1.633
  203   2HB   SER  24          1HB       SER  24   4.516  16.449   1.809
  204    HG   SER  24           HG       SER  24   4.904  18.425   3.616
  205    H    VAL  25           H        VAL  25   7.862  18.442   2.773
  206    HA   VAL  25           HA       VAL  25   9.732  16.241   2.678
  207    HB   VAL  25           HB       VAL  25  10.568  18.538   2.865
  208   1HG1  VAL  25          1HG1      VAL  25  10.006  18.936   5.676
  209   2HG1  VAL  25          2HG1      VAL  25   8.529  18.869   4.714
  210   3HG1  VAL  25          3HG1      VAL  25   9.788  20.037   4.315
  211   1HG2  VAL  25          1HG2      VAL  25  11.156  16.795   5.256
  212   2HG2  VAL  25          2HG2      VAL  25  12.132  18.175   4.751
  213   3HG2  VAL  25          3HG2      VAL  25  11.978  16.770   3.696
  214    H    GLY  26           H        GLY  26   9.991  14.650   4.151
  215   1HA   GLY  26          2HA       GLY  26   9.079  14.760   6.828
  216   2HA   GLY  26          1HA       GLY  26   7.905  13.904   5.839
  217    H    ARG  27           H        ARG  27   8.381  12.065   7.205
  218    HA   ARG  27           HA       ARG  27  10.901  10.730   6.465
  219   1HB   ARG  27          2HB       ARG  27  10.767   9.506   8.570
  220   2HB   ARG  27          1HB       ARG  27  10.756  11.239   8.865
  221   1HG   ARG  27          2HG       ARG  27   8.202  11.010   8.936
  222   2HG   ARG  27          1HG       ARG  27   8.505   9.280   9.103
  223   1HD   ARG  27          2HD       ARG  27   8.222  10.454  11.272
  224   2HD   ARG  27          1HD       ARG  27   9.774   9.636  11.108
  225    HE   ARG  27           HE       ARG  27  10.072  12.292  10.270
  226   1HH1  ARG  27          1HH1      ARG  27   9.447  10.481  13.180
  227   2HH1  ARG  27          2HH1      ARG  27  10.203  11.642  14.219
  228   1HH2  ARG  27          1HH2      ARG  27  11.071  13.827  11.629
  229   2HH2  ARG  27          2HH2      ARG  27  11.127  13.544  13.338
  230    H    TRP  28           H        TRP  28  10.765   8.323   6.445
  231    HA   TRP  28           HA       TRP  28   8.696   7.476   4.709
  232   1HB   TRP  28          2HB       TRP  28  10.962   6.117   6.124
  233   2HB   TRP  28          1HB       TRP  28   9.709   5.130   5.377
  234    HD1  TRP  28           HD       TRP  28  12.814   7.036   4.582
  235    HE1  TRP  28           1HE      TRP  28  13.244   7.001   2.048
  236    HE3  TRP  28           3HE      TRP  28   8.328   5.154   3.017
  237    HZ2  TRP  28           2HZ      TRP  28  11.870   6.265  -0.308
  238    HZ3  TRP  28           3HZ      TRP  28   7.957   4.831   0.605
  239    HH2  TRP  28           HH       TRP  28   9.694   5.369  -1.020
  240    H    LYS  29           H        LYS  29   7.377   5.458   5.168
  241    HA   LYS  29           HA       LYS  29   6.430   5.403   7.956
  242   1HB   LYS  29          2HB       LYS  29   4.965   6.287   5.618
  243   2HB   LYS  29          1HB       LYS  29   4.174   4.910   6.372
  244   1HG   LYS  29          2HG       LYS  29   3.189   6.561   7.561
  245   2HG   LYS  29          1HG       LYS  29   4.625   6.344   8.563
  246   1HD   LYS  29          2HD       LYS  29   5.727   8.168   7.289
  247   2HD   LYS  29          1HD       LYS  29   4.215   8.424   6.417
  248   1HE   LYS  29          2HE       LYS  29   3.674   8.387   9.217
  249   2HE   LYS  29          1HE       LYS  29   5.007   9.499   8.910
  250   1HZ   LYS  29          1HZ       LYS  29   2.846   9.754   7.032
  251   2HZ   LYS  29          2HZ       LYS  29   3.653  10.947   7.920
  252   3HZ   LYS  29          3HZ       LYS  29   2.381  10.084   8.625
  253    H    GLU  30           H        GLU  30   5.216   3.402   8.483
  254    HA   GLU  30           HA       GLU  30   5.860   1.185   6.665
  255   1HB   GLU  30          2HB       GLU  30   6.111   0.614   9.557
  256   2HB   GLU  30          1HB       GLU  30   7.037  -0.009   8.199
  257   1HG   GLU  30          2HG       GLU  30   7.532   2.807   8.604
  258   2HG   GLU  30          1HG       GLU  30   7.853   1.875  10.066
  259    H    ALA  31           H        ALA  31   4.181  -0.035   6.236
  260    HA   ALA  31           HA       ALA  31   2.138  -0.532   8.268
  261   1HB   ALA  31          1HB       ALA  31   1.067  -0.060   5.560
  262   2HB   ALA  31          2HB       ALA  31   1.640   1.371   6.417
  263   3HB   ALA  31          3HB       ALA  31   0.392   0.353   7.136
  264    H    THR  32           H        THR  32   2.163  -2.692   8.463
  265    HA   THR  32           HA       THR  32   2.784  -4.318   6.112
  266    HB   THR  32           HB       THR  32   2.436  -5.471   8.855
  267    HG1  THR  32           1HG      THR  32   3.860  -3.647   9.034
  268   1HG2  THR  32          1HG2      THR  32   3.806  -7.189   8.079
  269   2HG2  THR  32          2HG2      THR  32   4.512  -6.185   6.812
  270   3HG2  THR  32          3HG2      THR  32   2.859  -6.776   6.648
  271    H    ILE  33           H        ILE  33   1.370  -5.545   5.100
  272    HA   ILE  33           HA       ILE  33  -1.167  -6.260   6.390
  273    HB   ILE  33           HB       ILE  33  -2.059  -5.892   3.886
  274   1HG1  ILE  33          2HG1      ILE  33  -0.055  -3.659   4.279
  275   2HG1  ILE  33          1HG1      ILE  33   0.152  -4.995   3.153
  276   1HG2  ILE  33          1HG2      ILE  33  -3.037  -3.782   4.649
  277   2HG2  ILE  33          2HG2      ILE  33  -1.885  -3.731   5.982
  278   3HG2  ILE  33          3HG2      ILE  33  -3.093  -5.013   5.909
  279   1HD1  ILE  33          1HD1      ILE  33  -1.733  -4.270   1.864
  280   2HD1  ILE  33          2HD1      ILE  33  -0.637  -2.908   2.096
  281   3HD1  ILE  33          3HD1      ILE  33  -2.116  -3.024   3.050
  282    HA   PRO  34           HA       PRO  34   0.503  -9.986   4.434
  283   1HB   PRO  34          2HB       PRO  34  -0.601 -11.771   6.082
  284   2HB   PRO  34          1HB       PRO  34   0.767 -10.773   6.586
  285   1HG   PRO  34          2HG       PRO  34  -2.143 -10.449   7.200
  286   2HG   PRO  34          1HG       PRO  34  -0.745 -10.241   8.269
  287   1HD   PRO  34          2HD       PRO  34  -2.079  -8.176   7.020
  288   2HD   PRO  34          1HD       PRO  34  -0.398  -8.091   7.579
  289    H    GLY  35           H        GLY  35  -0.328 -10.700   2.604
  290   1HA   GLY  35          2HA       GLY  35  -1.842 -11.317   0.990
  291   2HA   GLY  35          1HA       GLY  35  -2.483 -12.334   2.269
  292    H    HIS  36           H        HIS  36  -2.530  -8.810   2.246
  293    HA   HIS  36           HA       HIS  36  -4.262  -7.340   2.455
  294   1HB   HIS  36          2HB       HIS  36  -4.364  -7.981   0.029
  295   2HB   HIS  36          1HB       HIS  36  -5.605  -9.158   0.445
  296    HD2  HIS  36           2HD      HIS  36  -5.162  -5.329   0.002
  297    HE1  HIS  36           1HE      HIS  36  -9.254  -6.180   0.662
  298    HE2  HIS  36           2HE      HIS  36  -7.556  -4.352   0.211
  299    H    LEU  37           H        LEU  37  -4.636  -8.096   4.655
  300    HA   LEU  37           HA       LEU  37  -6.565 -10.069   5.267
  301   1HB   LEU  37          2HB       LEU  37  -6.629  -8.499   7.473
  302   2HB   LEU  37          1HB       LEU  37  -5.440  -9.749   7.180
  303    HG   LEU  37           HG       LEU  37  -3.815  -8.122   6.444
  304   1HD1  LEU  37          1HD1      LEU  37  -4.256  -5.754   6.375
  305   2HD1  LEU  37          2HD1      LEU  37  -5.923  -6.014   6.893
  306   3HD1  LEU  37          3HD1      LEU  37  -5.389  -6.591   5.314
  307   1HD2  LEU  37          1HD2      LEU  37  -3.380  -8.042   8.627
  308   2HD2  LEU  37          2HD2      LEU  37  -5.091  -8.006   9.049
  309   3HD2  LEU  37          3HD2      LEU  37  -4.253  -6.509   8.638
  310    H    ASN  38           H        ASN  38  -6.793  -6.667   4.551
  311    HA   ASN  38           HA       ASN  38  -9.599  -6.826   4.106
  312   1HB   ASN  38          2HB       ASN  38  -9.451  -6.675   6.635
  313   2HB   ASN  38          1HB       ASN  38  -8.776  -5.063   6.417
  314   1HD2  ASN  38          1HD2      ASN  38 -10.100  -3.386   5.964
  315   2HD2  ASN  38          2HD2      ASN  38 -11.819  -3.518   5.843
  316    H    SER  39           H        SER  39 -10.489  -4.472   3.776
  317    HA   SER  39           HA       SER  39  -8.715  -3.211   1.900
  318   1HB   SER  39          2HB       SER  39 -11.557  -2.808   2.757
  319   2HB   SER  39          1HB       SER  39 -10.738  -1.509   1.889
  320    HG   SER  39           HG       SER  39 -11.543  -2.699   0.283
  321    H    TYR  40           H        TYR  40  -7.063  -2.086   2.725
  322    HA   TYR  40           HA       TYR  40  -7.638  -0.166   4.884
  323   1HB   TYR  40          2HB       TYR  40  -6.082  -1.745   5.731
  324   2HB   TYR  40          1HB       TYR  40  -5.142  -1.736   4.245
  325    HD1  TYR  40           1HD      TYR  40  -3.434  -0.106   3.879
  326    HD2  TYR  40           2HD      TYR  40  -5.966   0.184   7.286
  327    HE1  TYR  40           1HE      TYR  40  -1.940   1.596   4.837
  328    HE2  TYR  40           2HE      TYR  40  -4.479   1.889   8.252
  329    HH   TYR  40           HH       TYR  40  -2.029   2.533   8.029
  330    H    THR  41           H        THR  41  -7.700   1.863   4.213
  331    HA   THR  41           HA       THR  41  -6.001   2.645   1.932
  332    HB   THR  41           HB       THR  41  -8.181   2.906   1.136
  333    HG1  THR  41           1HG      THR  41  -6.744   4.988   1.441
  334   1HG2  THR  41          1HG2      THR  41  -9.440   2.507   3.136
  335   2HG2  THR  41          2HG2      THR  41  -9.970   4.047   2.461
  336   3HG2  THR  41          3HG2      THR  41  -8.882   4.020   3.849
  337    H    ILE  42           H        ILE  42  -4.808   4.501   2.058
  338    HA   ILE  42           HA       ILE  42  -4.352   5.550   4.727
  339    HB   ILE  42           HB       ILE  42  -2.953   6.187   2.125
  340   1HG1  ILE  42          2HG1      ILE  42  -1.314   4.801   4.006
  341   2HG1  ILE  42          1HG1      ILE  42  -2.818   3.904   3.824
  342   1HG2  ILE  42          1HG2      ILE  42  -2.849   7.953   3.909
  343   2HG2  ILE  42          2HG2      ILE  42  -1.291   7.306   3.398
  344   3HG2  ILE  42          3HG2      ILE  42  -2.008   6.777   4.920
  345   1HD1  ILE  42          1HD1      ILE  42  -1.651   2.960   2.138
  346   2HD1  ILE  42          2HD1      ILE  42  -0.646   4.387   1.886
  347   3HD1  ILE  42          3HD1      ILE  42  -2.291   4.344   1.254
  348    H    LYS  43           H        LYS  43  -4.928   7.526   5.446
  349    HA   LYS  43           HA       LYS  43  -6.132   9.394   3.514
  350   1HB   LYS  43          2HB       LYS  43  -7.575  10.053   5.609
  351   2HB   LYS  43          1HB       LYS  43  -8.039   8.694   4.593
  352   1HG   LYS  43          2HG       LYS  43  -6.242   7.941   6.758
  353   2HG   LYS  43          1HG       LYS  43  -7.761   8.645   7.317
  354   1HD   LYS  43          2HD       LYS  43  -8.114   6.728   5.147
  355   2HD   LYS  43          1HD       LYS  43  -7.370   6.021   6.583
  356   1HE   LYS  43          2HE       LYS  43  -9.277   7.307   7.831
  357   2HE   LYS  43          1HE       LYS  43 -10.062   7.265   6.252
  358   1HZ   LYS  43          1HZ       LYS  43 -10.302   5.016   6.326
  359   2HZ   LYS  43          2HZ       LYS  43 -10.396   5.347   7.981
  360   3HZ   LYS  43          3HZ       LYS  43  -8.950   4.772   7.316
  361    H    GLY  44           H        GLY  44  -3.564   9.768   3.963
  362   1HA   GLY  44          2HA       GLY  44  -3.404  11.857   6.047
  363   2HA   GLY  44          1HA       GLY  44  -2.032  10.904   5.499
  364    H    LEU  45           H        LEU  45  -3.870  11.566   2.854
  365    HA   LEU  45           HA       LEU  45  -2.204  13.890   2.163
  366   1HB   LEU  45          2HB       LEU  45  -3.434  12.777  -0.154
  367   2HB   LEU  45          1HB       LEU  45  -1.730  12.833   0.263
  368    HG   LEU  45           HG       LEU  45  -2.201  10.719   1.661
  369   1HD1  LEU  45          1HD1      LEU  45  -4.098   9.473   1.247
  370   2HD1  LEU  45          2HD1      LEU  45  -4.461  10.331  -0.250
  371   3HD1  LEU  45          3HD1      LEU  45  -4.730  11.119   1.304
  372   1HD2  LEU  45          1HD2      LEU  45  -2.483   9.585  -0.875
  373   2HD2  LEU  45          2HD2      LEU  45  -0.981   9.922  -0.014
  374   3HD2  LEU  45          3HD2      LEU  45  -1.641  11.112  -1.135
  375    H    LYS  46           H        LYS  46  -3.143  15.781   1.747
  376    HA   LYS  46           HA       LYS  46  -6.079  15.837   1.539
  377   1HB   LYS  46          2HB       LYS  46  -4.680  18.344   2.232
  378   2HB   LYS  46          1HB       LYS  46  -6.148  17.658   2.903
  379   1HG   LYS  46          2HG       LYS  46  -5.067  16.610   4.573
  380   2HG   LYS  46          1HG       LYS  46  -3.650  16.252   3.585
  381   1HD   LYS  46          2HD       LYS  46  -2.603  18.164   4.167
  382   2HD   LYS  46          1HD       LYS  46  -4.097  19.104   4.154
  383   1HE   LYS  46          2HE       LYS  46  -3.013  17.351   6.343
  384   2HE   LYS  46          1HE       LYS  46  -3.360  19.079   6.397
  385   1HZ   LYS  46          1HZ       LYS  46  -5.179  16.811   6.633
  386   2HZ   LYS  46          2HZ       LYS  46  -5.764  18.178   5.827
  387   3HZ   LYS  46          3HZ       LYS  46  -5.209  18.309   7.419
  388    HA   PRO  47           HA       PRO  47  -6.206  17.664  -2.449
  389   1HB   PRO  47          2HB       PRO  47  -7.346  20.176  -1.948
  390   2HB   PRO  47          1HB       PRO  47  -8.214  18.678  -2.306
  391   1HG   PRO  47          2HG       PRO  47  -7.630  19.945   0.333
  392   2HG   PRO  47          1HG       PRO  47  -9.086  19.083  -0.208
  393   1HD   PRO  47          2HD       PRO  47  -7.332  17.904   1.408
  394   2HD   PRO  47          1HD       PRO  47  -8.100  16.989   0.095
  395    H    GLY  48           H        GLY  48  -4.004  17.880  -2.811
  396   1HA   GLY  48          2HA       GLY  48  -2.749  19.862  -3.803
  397   2HA   GLY  48          1HA       GLY  48  -2.833  20.510  -2.172
  398    H    VAL  49           H        VAL  49  -2.519  17.354  -1.594
  399    HA   VAL  49           HA       VAL  49   0.423  17.451  -1.695
  400    HB   VAL  49           HB       VAL  49  -0.566  15.675   0.356
  401   1HG1  VAL  49          1HG1      VAL  49   1.108  16.770   1.676
  402   2HG1  VAL  49          2HG1      VAL  49   1.188  18.117   0.541
  403   3HG1  VAL  49          3HG1      VAL  49   1.749  16.516   0.050
  404   1HG2  VAL  49          1HG2      VAL  49  -1.038  17.911   1.787
  405   2HG2  VAL  49          2HG2      VAL  49  -2.303  16.927   1.046
  406   3HG2  VAL  49          3HG2      VAL  49  -1.722  18.380   0.229
  407    H    VAL  50           H        VAL  50   1.527  15.722  -2.346
  408    HA   VAL  50           HA       VAL  50   0.000  13.327  -3.136
  409    HB   VAL  50           HB       VAL  50   0.787  14.294  -5.145
  410   1HG1  VAL  50          1HG1      VAL  50   3.642  14.431  -4.463
  411   2HG1  VAL  50          2HG1      VAL  50   2.612  15.605  -3.649
  412   3HG1  VAL  50          3HG1      VAL  50   2.644  15.531  -5.410
  413   1HG2  VAL  50          1HG2      VAL  50   2.555  12.064  -4.196
  414   2HG2  VAL  50          2HG2      VAL  50   2.692  12.719  -5.828
  415   3HG2  VAL  50          3HG2      VAL  50   1.175  11.996  -5.293
  416    H    TYR  51           H        TYR  51   0.686  11.380  -2.325
  417    HA   TYR  51           HA       TYR  51   3.145  11.430  -0.696
  418   1HB   TYR  51          2HB       TYR  51   0.495  10.099  -0.250
  419   2HB   TYR  51          1HB       TYR  51   1.953   9.461   0.503
  420    HD1  TYR  51           1HD      TYR  51   0.187  12.732   0.083
  421    HD2  TYR  51           2HD      TYR  51   2.481  10.200   2.617
  422    HE1  TYR  51           1HE      TYR  51  -0.040  14.362   1.911
  423    HE2  TYR  51           2HE      TYR  51   2.260  11.822   4.449
  424    HH   TYR  51           HH       TYR  51   1.842  14.328   4.649
  425    H    GLU  52           H        GLU  52   4.719   9.999  -1.169
  426    HA   GLU  52           HA       GLU  52   4.231   8.124  -3.339
  427   1HB   GLU  52          2HB       GLU  52   6.278   9.562  -3.293
  428   2HB   GLU  52          1HB       GLU  52   6.799   8.707  -1.848
  429   1HG   GLU  52          2HG       GLU  52   6.784   6.600  -3.164
  430   2HG   GLU  52          1HG       GLU  52   6.436   7.558  -4.603
  431    H    GLY  53           H        GLY  53   3.875   6.011  -3.035
  432   1HA   GLY  53          2HA       GLY  53   4.367   4.932  -0.330
  433   2HA   GLY  53          1HA       GLY  53   3.010   4.454  -1.336
  434    H    GLN  54           H        GLN  54   4.950   2.719  -0.123
  435    HA   GLN  54           HA       GLN  54   6.038   1.537  -2.597
  436   1HB   GLN  54          2HB       GLN  54   7.826   2.667  -1.281
  437   2HB   GLN  54          1HB       GLN  54   7.473   1.588   0.061
  438   1HG   GLN  54          2HG       GLN  54   8.391  -0.231  -0.975
  439   2HG   GLN  54          1HG       GLN  54   8.114   0.411  -2.591
  440   1HE2  GLN  54          1HE2      GLN  54   9.482   2.502  -0.225
  441   2HE2  GLN  54          2HE2      GLN  54  11.100   2.485  -0.829
  442    H    LEU  55           H        LEU  55   5.060  -0.340  -2.928
  443    HA   LEU  55           HA       LEU  55   4.222  -1.938  -0.610
  444   1HB   LEU  55          2HB       LEU  55   3.184  -1.570  -3.350
  445   2HB   LEU  55          1HB       LEU  55   3.123  -3.212  -2.736
  446    HG   LEU  55           HG       LEU  55   1.991  -0.915  -1.166
  447   1HD1  LEU  55          1HD1      LEU  55   0.155  -0.773  -2.424
  448   2HD1  LEU  55          2HD1      LEU  55   0.048  -2.525  -2.604
  449   3HD1  LEU  55          3HD1      LEU  55   1.088  -1.589  -3.677
  450   1HD2  LEU  55          1HD2      LEU  55   1.389  -3.866  -1.192
  451   2HD2  LEU  55          2HD2      LEU  55   0.646  -2.659  -0.142
  452   3HD2  LEU  55          3HD2      LEU  55   2.365  -3.022   0.011
  453    H    ILE  56           H        ILE  56   5.787  -3.286  -0.026
  454    HA   ILE  56           HA       ILE  56   7.196  -4.800  -2.123
  455    HB   ILE  56           HB       ILE  56   8.161  -3.936   0.602
  456   1HG1  ILE  56          2HG1      ILE  56   9.327  -3.410  -2.133
  457   2HG1  ILE  56          1HG1      ILE  56   8.247  -2.301  -1.302
  458   1HG2  ILE  56          1HG2      ILE  56   8.941  -6.216  -0.986
  459   2HG2  ILE  56          2HG2      ILE  56   9.422  -5.764   0.649
  460   3HG2  ILE  56          3HG2      ILE  56  10.287  -5.105  -0.739
  461   1HD1  ILE  56          1HD1      ILE  56  10.796  -1.933  -1.170
  462   2HD1  ILE  56          2HD1      ILE  56  10.750  -3.225   0.029
  463   3HD1  ILE  56          3HD1      ILE  56   9.822  -1.749   0.289
  464    H    SER  57           H        SER  57   6.750  -6.916  -2.183
  465    HA   SER  57           HA       SER  57   5.244  -8.118  -0.034
  466   1HB   SER  57          2HB       SER  57   6.311  -9.778  -2.266
  467   2HB   SER  57          1HB       SER  57   4.718  -9.797  -1.506
  468    HG   SER  57           HG       SER  57   5.586  -7.627  -3.091
  469    H    ILE  58           H        ILE  58   5.982  -9.482   1.448
  470    HA   ILE  58           HA       ILE  58   8.832 -10.177   1.425
  471    HB   ILE  58           HB       ILE  58   7.205  -9.724   3.916
  472   1HG1  ILE  58          2HG1      ILE  58   9.181  -7.701   3.510
  473   2HG1  ILE  58          1HG1      ILE  58   8.168  -7.782   2.072
  474   1HG2  ILE  58          1HG2      ILE  58   9.309 -11.170   3.910
  475   2HG2  ILE  58          2HG2      ILE  58   9.233  -9.856   5.083
  476   3HG2  ILE  58          3HG2      ILE  58  10.192  -9.671   3.614
  477   1HD1  ILE  58          1HD1      ILE  58   7.615  -6.542   4.540
  478   2HD1  ILE  58          2HD1      ILE  58   6.491  -7.890   4.362
  479   3HD1  ILE  58          3HD1      ILE  58   6.585  -6.650   3.111
  480    H    GLN  59           H        GLN  59   9.383 -12.247   1.665
  481    HA   GLN  59           HA       GLN  59   7.405 -14.107   2.783
  482   1HB   GLN  59          2HB       GLN  59   8.918 -14.381   0.232
  483   2HB   GLN  59          1HB       GLN  59   8.663 -15.822   1.199
  484   1HG   GLN  59          2HG       GLN  59   6.330 -14.080   0.620
  485   2HG   GLN  59          1HG       GLN  59   6.967 -15.098  -0.671
  486   1HE2  GLN  59          1HE2      GLN  59   6.593 -17.250  -0.635
  487   2HE2  GLN  59          2HE2      GLN  59   5.652 -18.052   0.571
  488    H    GLN  60           H        GLN  60   8.851 -16.356   2.976
  489    HA   GLN  60           HA       GLN  60  10.563 -15.773   5.165
  490   1HB   GLN  60          2HB       GLN  60  10.826 -18.439   3.916
  491   2HB   GLN  60          1HB       GLN  60  10.545 -18.005   5.596
  492   1HG   GLN  60          2HG       GLN  60   8.181 -17.304   4.556
  493   2HG   GLN  60          1HG       GLN  60   8.627 -18.590   3.438
  494   1HE2  GLN  60          1HE2      GLN  60   9.748 -20.480   4.804
  495   2HE2  GLN  60          2HE2      GLN  60   8.756 -21.059   6.095
  496    H    TYR  61           H        TYR  61  11.095 -15.569   1.898
  497    HA   TYR  61           HA       TYR  61  13.935 -16.266   2.094
  498   1HB   TYR  61          2HB       TYR  61  12.920 -15.459  -0.538
  499   2HB   TYR  61          1HB       TYR  61  13.867 -16.869  -0.080
  500    HD1  TYR  61           1HD      TYR  61  11.027 -16.084  -1.687
  501    HD2  TYR  61           2HD      TYR  61  12.217 -18.413   1.673
  502    HE1  TYR  61           1HE      TYR  61   9.030 -17.491  -1.957
  503    HE2  TYR  61           2HE      TYR  61  10.224 -19.825   1.405
  504    HH   TYR  61           HH       TYR  61   7.902 -19.556   0.386
  505    H    GLY  62           H        GLY  62  12.003 -13.593   2.408
  506   1HA   GLY  62          2HA       GLY  62  12.556 -11.364   2.630
  507   2HA   GLY  62          1HA       GLY  62  14.229 -11.803   2.325
  508    H    HIS  63           H        HIS  63  13.091  -9.458   1.348
  509    HA   HIS  63           HA       HIS  63  13.030  -8.202  -0.540
  510   1HB   HIS  63          2HB       HIS  63  15.062  -9.343  -1.214
  511   2HB   HIS  63          1HB       HIS  63  14.131 -10.699  -1.837
  512    HD2  HIS  63           2HD      HIS  63  13.286 -10.465  -4.403
  513    HE1  HIS  63           1HE      HIS  63  14.510  -6.449  -4.940
  514    HE2  HIS  63           2HE      HIS  63  13.415  -8.455  -6.038
  515    H    GLN  64           H        GLN  64  12.268 -11.313  -2.010
  516    HA   GLN  64           HA       GLN  64  10.460 -12.091  -3.120
  517   1HB   GLN  64          2HB       GLN  64   9.329 -10.552  -0.899
  518   2HB   GLN  64          1HB       GLN  64   8.223 -10.951  -2.211
  519   1HG   GLN  64          2HG       GLN  64   8.362 -12.587  -0.297
  520   2HG   GLN  64          1HG       GLN  64   8.537 -13.248  -1.923
  521   1HE2  GLN  64          1HE2      GLN  64  10.568 -13.958  -2.615
  522   2HE2  GLN  64          2HE2      GLN  64  11.842 -14.303  -1.500
  523    H    GLU  65           H        GLU  65   8.677  -9.145  -2.653
  524    HA   GLU  65           HA       GLU  65   9.152  -8.409  -5.468
  525   1HB   GLU  65          2HB       GLU  65   6.834  -9.514  -4.508
  526   2HB   GLU  65          1HB       GLU  65   6.483  -7.794  -4.410
  527   1HG   GLU  65          2HG       GLU  65   7.689  -8.306  -6.931
  528   2HG   GLU  65          1HG       GLU  65   6.416  -9.498  -6.677
  529    H    VAL  66           H        VAL  66   9.159  -6.240  -5.971
  530    HA   VAL  66           HA       VAL  66   8.720  -4.341  -3.775
  531    HB   VAL  66           HB       VAL  66  11.115  -4.312  -5.619
  532   1HG1  VAL  66          1HG1      VAL  66  11.155  -2.104  -5.330
  533   2HG1  VAL  66          2HG1      VAL  66  11.374  -2.373  -3.602
  534   3HG1  VAL  66          3HG1      VAL  66   9.751  -2.175  -4.265
  535   1HG2  VAL  66          1HG2      VAL  66  12.183  -5.407  -4.007
  536   2HG2  VAL  66          2HG2      VAL  66  10.688  -5.500  -3.077
  537   3HG2  VAL  66          3HG2      VAL  66  11.778  -4.131  -2.860
  538    H    THR  67           H        THR  67   7.429  -2.734  -4.339
  539    HA   THR  67           HA       THR  67   7.314  -1.896  -7.144
  540    HB   THR  67           HB       THR  67   5.177  -3.223  -5.650
  541    HG1  THR  67           1HG      THR  67   6.148  -3.003  -8.160
  542   1HG2  THR  67          1HG2      THR  67   4.459  -0.814  -5.447
  543   2HG2  THR  67          2HG2      THR  67   3.337  -1.851  -6.328
  544   3HG2  THR  67          3HG2      THR  67   4.402  -0.754  -7.208
  545    H    ARG  68           H        ARG  68   7.509   0.226  -7.323
  546    HA   ARG  68           HA       ARG  68   6.939   1.896  -4.965
  547   1HB   ARG  68          2HB       ARG  68   8.521   3.348  -6.795
  548   2HB   ARG  68          1HB       ARG  68   8.998   2.710  -5.228
  549   1HG   ARG  68          2HG       ARG  68   9.870   0.739  -6.182
  550   2HG   ARG  68          1HG       ARG  68   9.094   1.055  -7.733
  551   1HD   ARG  68          2HD       ARG  68  11.675   1.574  -7.264
  552   2HD   ARG  68          1HD       ARG  68  10.697   2.511  -8.392
  553    HE   ARG  68           HE       ARG  68  10.881   3.423  -5.620
  554   1HH1  ARG  68          1HH1      ARG  68  11.738   3.830  -8.973
  555   2HH1  ARG  68          2HH1      ARG  68  12.264   5.468  -8.773
  556   1HH2  ARG  68          1HH2      ARG  68  11.567   5.579  -5.349
  557   2HH2  ARG  68          2HH2      ARG  68  12.166   6.462  -6.714
  558    H    PHE  69           H        PHE  69   5.341   3.330  -5.100
  559    HA   PHE  69           HA       PHE  69   4.715   4.656  -7.586
  560   1HB   PHE  69          2HB       PHE  69   2.419   3.931  -7.758
  561   2HB   PHE  69          1HB       PHE  69   3.472   2.522  -7.786
  562    HD1  PHE  69           1HD      PHE  69   0.619   3.996  -6.313
  563    HD2  PHE  69           2HD      PHE  69   3.822   1.307  -5.524
  564    HE1  PHE  69           1HE      PHE  69  -0.675   3.001  -4.473
  565    HE2  PHE  69           2HE      PHE  69   2.534   0.308  -3.681
  566    HZ   PHE  69           HZ       PHE  69   0.282   1.154  -3.154
  567    H    ASP  70           H        ASP  70   4.144   6.681  -7.204
  568    HA   ASP  70           HA       ASP  70   3.411   7.454  -4.482
  569   1HB   ASP  70          2HB       ASP  70   3.619   9.778  -5.991
  570   2HB   ASP  70          1HB       ASP  70   4.872   9.101  -4.957
  571    H    PHE  71           H        PHE  71   1.419   8.202  -3.958
  572    HA   PHE  71           HA       PHE  71  -0.449   8.885  -6.108
  573   1HB   PHE  71          2HB       PHE  71  -2.183   7.502  -5.251
  574   2HB   PHE  71          1HB       PHE  71  -0.754   6.474  -5.446
  575    HD1  PHE  71           1HD      PHE  71   0.620   5.941  -3.387
  576    HD2  PHE  71           2HD      PHE  71  -3.221   7.770  -3.189
  577    HE1  PHE  71           1HE      PHE  71   0.446   5.310  -1.016
  578    HE2  PHE  71           2HE      PHE  71  -3.400   7.135  -0.816
  579    HZ   PHE  71           HZ       PHE  71  -1.566   5.906   0.272
  580    H    THR  72           H        THR  72  -2.429   9.837  -5.337
  581    HA   THR  72           HA       THR  72  -2.434  10.971  -2.674
  582    HB   THR  72           HB       THR  72  -1.521  12.913  -3.382
  583    HG1  THR  72           1HG      THR  72  -3.070  14.344  -4.238
  584   1HG2  THR  72          1HG2      THR  72  -1.466  11.559  -5.830
  585   2HG2  THR  72          2HG2      THR  72  -0.632  13.056  -5.424
  586   3HG2  THR  72          3HG2      THR  72  -2.227  13.110  -6.172
  587    H    THR  73           H        THR  73  -4.515  11.100  -1.924
  588    HA   THR  73           HA       THR  73  -6.646  10.238  -3.698
  589    HB   THR  73           HB       THR  73  -6.388   9.516  -1.235
  590    HG1  THR  73           1HG      THR  73  -8.810  10.485  -2.357
  591   1HG2  THR  73          1HG2      THR  73  -7.081  10.919   0.489
  592   2HG2  THR  73          2HG2      THR  73  -7.930  12.011  -0.607
  593   3HG2  THR  73          3HG2      THR  73  -6.169  12.020  -0.545
  594    H    THR  74           H        THR  74  -5.291  12.785  -4.091
  595    HA   THR  74           HA       THR  74  -7.636  14.531  -4.051
  596    HB   THR  74           HB       THR  74  -6.750  15.814  -2.459
  597    HG1  THR  74           1HG      THR  74  -5.872  17.146  -3.982
  598   1HG2  THR  74          1HG2      THR  74  -5.213  13.579  -2.175
  599   2HG2  THR  74          2HG2      THR  74  -5.117  14.990  -1.116
  600   3HG2  THR  74          3HG2      THR  74  -3.973  14.804  -2.449
  601    H    SER  75           H        SER  75  -4.208  14.936  -4.917
  602    HA   SER  75           HA       SER  75  -4.647  16.479  -7.179
  603   1HB   SER  75          2HB       SER  75  -2.447  15.673  -5.785
  604   2HB   SER  75          1HB       SER  75  -2.257  14.759  -7.282
  605    HG   SER  75           HG       SER  75  -1.355  16.634  -7.808
  606    H    THR  76           H        THR  76  -3.468  13.111  -7.282
  607    HA   THR  76           HA       THR  76  -3.637  11.510  -8.897
  608    HB   THR  76           HB       THR  76  -5.839  10.892  -9.582
  609    HG1  THR  76           1HG      THR  76  -6.974  12.553 -10.292
  610   1HG2  THR  76          1HG2      THR  76  -7.149  11.202  -7.414
  611   2HG2  THR  76          2HG2      THR  76  -5.759  12.121  -6.838
  612   3HG2  THR  76          3HG2      THR  76  -5.571  10.426  -7.286
  613    H    SER  77           H        SER  77  -2.553  13.962  -9.789
  614    HA   SER  77           HA       SER  77  -1.929  15.035 -11.688
  615   1HB   SER  77          2HB       SER  77  -2.615  12.339 -12.505
  616   2HB   SER  77          1HB       SER  77  -2.924  13.494 -13.801
  617    HG   SER  77           HG       SER  77  -0.500  12.963 -12.454
  618    H    THR  78           H        THR  78  -3.186  15.159 -14.219
  619    HA   THR  78           HA       THR  78  -4.582  16.624 -15.279
  620    HB   THR  78           HB       THR  78  -5.897  14.492 -15.085
  621    HG1  THR  78           1HG      THR  78  -7.842  15.547 -15.750
  622   1HG2  THR  78          1HG2      THR  78  -6.742  14.085 -13.036
  623   2HG2  THR  78          2HG2      THR  78  -8.042  15.172 -13.527
  624   3HG2  THR  78          3HG2      THR  78  -6.688  15.789 -12.573
  625    HA   PRO  79           HA       PRO  79  -5.818  19.376 -11.724
  626   1HB   PRO  79          2HB       PRO  79  -3.649  20.224 -10.503
  627   2HB   PRO  79          1HB       PRO  79  -4.209  18.576 -10.226
  628   1HG   PRO  79          2HG       PRO  79  -1.906  19.542 -11.840
  629   2HG   PRO  79          1HG       PRO  79  -2.097  18.023 -10.948
  630   1HD   PRO  79          2HD       PRO  79  -2.553  18.493 -13.743
  631   2HD   PRO  79          1HD       PRO  79  -2.782  16.982 -12.841
  632    H    GLY  80           H        GLY  80  -5.529  19.994 -14.466
  633   1HA   GLY  80          2HA       GLY  80  -3.983  22.466 -14.607
  634   2HA   GLY  80          1HA       GLY  80  -4.794  21.670 -15.945
  635    H    SER  81           H        SER  81  -4.800  24.491 -14.887
  636    HA   SER  81           HA       SER  81  -7.647  24.909 -15.193
  637   1HB   SER  81          2HB       SER  81  -6.642  26.453 -12.906
  638   2HB   SER  81          1HB       SER  81  -8.172  25.598 -13.104
  639    HG   SER  81           HG       SER  81  -5.811  24.762 -11.956
  640    H    ARG  82           H        ARG  82  -7.079  25.969 -17.098
  641    HA   ARG  82           HA       ARG  82  -5.500  28.432 -16.800
  642   1HB   ARG  82          2HB       ARG  82  -4.967  26.557 -18.546
  643   2HB   ARG  82          1HB       ARG  82  -6.287  27.281 -19.452
  644   1HG   ARG  82          2HG       ARG  82  -4.806  29.470 -18.795
  645   2HG   ARG  82          1HG       ARG  82  -3.562  28.236 -19.010
  646   1HD   ARG  82          2HD       ARG  82  -3.748  28.425 -21.212
  647   2HD   ARG  82          1HD       ARG  82  -5.444  27.957 -21.113
  648    HE   ARG  82           HE       ARG  82  -6.008  30.294 -20.946
  649   1HH1  ARG  82          1HH1      ARG  82  -2.718  29.584 -21.842
  650   2HH1  ARG  82          2HH1      ARG  82  -2.442  31.137 -22.558
  651   1HH2  ARG  82          1HH2      ARG  82  -5.656  32.341 -21.886
  652   2HH2  ARG  82          2HH2      ARG  82  -4.112  32.704 -22.583
  653    H    SER  83           H        SER  83  -7.536  29.273 -15.762
  654    HA   SER  83           HA       SER  83  -8.918  30.915 -17.638
  655   1HB   SER  83          2HB       SER  83 -10.133  28.645 -17.726
  656   2HB   SER  83          1HB       SER  83 -10.711  29.038 -16.107
  657    HG   SER  83           HG       SER  83 -12.095  29.688 -17.916
  658    H    HIS  84           H        HIS  84  -8.841  32.787 -16.589
  659    HA   HIS  84           HA       HIS  84  -9.616  32.818 -13.748
  660   1HB   HIS  84          2HB       HIS  84  -7.174  33.793 -15.020
  661   2HB   HIS  84          1HB       HIS  84  -7.983  35.033 -14.067
  662    HD2  HIS  84           2HD      HIS  84  -8.619  31.776 -12.347
  663    HE1  HIS  84           1HE      HIS  84  -5.031  33.295 -10.697
  664    HE2  HIS  84           2HE      HIS  84  -6.968  31.697 -10.349
  665    H    HIS  85           H        HIS  85  -8.915  35.279 -16.234
  666    HA   HIS  85           HA       HIS  85 -11.593  36.397 -15.722
  667   1HB   HIS  85          2HB       HIS  85  -8.927  37.699 -15.859
  668   2HB   HIS  85          1HB       HIS  85 -10.275  38.569 -16.585
  669    HD2  HIS  85           2HD      HIS  85  -8.558  38.780 -13.450
  670    HE1  HIS  85           1HE      HIS  85 -12.630  39.048 -12.330
  671    HE2  HIS  85           2HE      HIS  85 -10.234  39.249 -11.527
  672    H    HIS  86           H        HIS  86  -9.010  36.901 -18.133
  673    HA   HIS  86           HA       HIS  86 -10.691  37.506 -20.261
  674   1HB   HIS  86          2HB       HIS  86  -7.872  36.552 -20.033
  675   2HB   HIS  86          1HB       HIS  86  -8.628  36.549 -21.623
  676    HD2  HIS  86           2HD      HIS  86  -7.098  38.636 -22.565
  677    HE1  HIS  86           1HE      HIS  86  -8.586  41.489 -19.818
  678    HE2  HIS  86           2HE      HIS  86  -7.054  41.115 -21.803
  679    H    HIS  87           H        HIS  87 -11.702  36.354 -21.835
  680    HA   HIS  87           HA       HIS  87 -11.713  33.424 -21.521
  681   1HB   HIS  87          2HB       HIS  87 -13.858  35.282 -21.457
  682   2HB   HIS  87          1HB       HIS  87 -14.024  34.345 -22.939
  683    HD2  HIS  87           2HD      HIS  87 -15.184  31.949 -22.622
  684    HE1  HIS  87           1HE      HIS  87 -14.764  31.707 -18.418
  685    HE2  HIS  87           2HE      HIS  87 -15.588  30.515 -20.500
  686    H    HIS  88           H        HIS  88 -11.382  36.103 -23.692
  687    HA   HIS  88           HA       HIS  88 -11.293  34.323 -26.018
  688   1HB   HIS  88          2HB       HIS  88 -12.421  36.791 -25.737
  689   2HB   HIS  88          1HB       HIS  88 -10.858  37.206 -26.432
  690    HD2  HIS  88           2HD      HIS  88 -14.012  37.087 -27.896
  691    HE1  HIS  88           1HE      HIS  88 -11.826  34.544 -30.477
  692    HE2  HIS  88           2HE      HIS  88 -14.017  35.775 -30.134
  693    H    HIS  89           H        HIS  89  -9.302  33.324 -25.606
  694    HA   HIS  89           HA       HIS  89  -6.947  35.085 -25.745
  695   1HB   HIS  89          2HB       HIS  89  -5.755  32.928 -24.939
  696   2HB   HIS  89          1HB       HIS  89  -6.707  33.849 -23.778
  697    HD2  HIS  89           2HD      HIS  89  -7.602  31.862 -22.184
  698    HE1  HIS  89           1HE      HIS  89  -9.270  29.474 -25.253
  699    HE2  HIS  89           2HE      HIS  89  -9.163  29.870 -22.752
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  13.665 -11.203 -11.346
    2   2H    MET   1          2HT       MET   1  13.519 -11.657 -12.969
    3   3H    MET   1          3HT       MET   1  12.869 -10.187 -12.442
    4    HA   MET   1           HA       MET   1  15.619 -10.894 -13.072
    5   1HB   MET   1          2HB       MET   1  14.155  -8.252 -13.136
    6   2HB   MET   1          1HB       MET   1  15.624  -8.678 -14.002
    7   1HG   MET   1          2HG       MET   1  14.512  -9.849 -15.604
    8   2HG   MET   1          1HG       MET   1  13.192 -10.289 -14.524
    9   1HE   MET   1          1HE       MET   1  11.467  -7.823 -13.601
   10   2HE   MET   1          2HE       MET   1  11.156  -9.377 -14.374
   11   3HE   MET   1          3HE       MET   1  10.521  -7.895 -15.087
   12    H    ARG   2           H        ARG   2  13.846  -9.751 -10.386
   13    HA   ARG   2           HA       ARG   2  16.324  -9.188  -8.969
   14   1HB   ARG   2          2HB       ARG   2  15.195  -7.044 -10.022
   15   2HB   ARG   2          1HB       ARG   2  14.133  -7.186  -8.627
   16   1HG   ARG   2          2HG       ARG   2  15.648  -6.016  -7.506
   17   2HG   ARG   2          1HG       ARG   2  16.667  -7.455  -7.556
   18   1HD   ARG   2          2HD       ARG   2  17.897  -5.517  -8.354
   19   2HD   ARG   2          1HD       ARG   2  17.653  -6.676  -9.661
   20    HE   ARG   2           HE       ARG   2  15.563  -4.832  -9.751
   21   1HH1  ARG   2          1HH1      ARG   2  19.020  -4.905 -10.197
   22   2HH1  ARG   2          2HH1      ARG   2  19.029  -3.592 -11.326
   23   1HH2  ARG   2          1HH2      ARG   2  15.569  -3.106 -11.234
   24   2HH2  ARG   2          2HH2      ARG   2  17.068  -2.568 -11.915
   25    H    GLY   3           H        GLY   3  13.150 -10.346  -9.081
   26   1HA   GLY   3          2HA       GLY   3  13.329 -11.521  -6.509
   27   2HA   GLY   3          1HA       GLY   3  12.268 -10.123  -6.449
   28    H    SER   4           H        SER   4  11.937 -11.202  -9.498
   29    HA   SER   4           HA       SER   4   9.387 -12.394  -8.951
   30   1HB   SER   4          2HB       SER   4   9.514 -12.771 -11.543
   31   2HB   SER   4          1HB       SER   4   9.336 -11.137 -10.904
   32    HG   SER   4           HG       SER   4  11.675 -12.393 -11.881
   33    H    ASN   5           H        ASN   5  10.136 -14.212  -7.679
   34    HA   ASN   5           HA       ASN   5  10.631 -16.534  -9.363
   35   1HB   ASN   5          2HB       ASN   5  12.883 -15.851  -8.698
   36   2HB   ASN   5          1HB       ASN   5  12.396 -15.836  -7.005
   37   1HD2  ASN   5          1HD2      ASN   5  12.919 -17.880  -9.806
   38   2HD2  ASN   5          2HD2      ASN   5  13.172 -19.344  -8.926
   39    H    ALA   6           H        ALA   6  10.122 -18.547  -8.326
   40    HA   ALA   6           HA       ALA   6   8.765 -19.895  -7.099
   41   1HB   ALA   6          1HB       ALA   6  10.110 -18.155  -5.178
   42   2HB   ALA   6          2HB       ALA   6   9.886 -19.904  -5.162
   43   3HB   ALA   6          3HB       ALA   6   8.603 -18.846  -4.576
   44    HA   PRO   7           HA       PRO   7   5.195 -16.963  -7.823
   45   1HB   PRO   7          2HB       PRO   7   4.133 -19.464  -9.011
   46   2HB   PRO   7          1HB       PRO   7   4.123 -17.820  -9.655
   47   1HG   PRO   7          2HG       PRO   7   5.767 -19.672 -10.650
   48   2HG   PRO   7          1HG       PRO   7   6.282 -17.985 -10.477
   49   1HD   PRO   7          2HD       PRO   7   6.943 -20.354  -8.775
   50   2HD   PRO   7          1HD       PRO   7   7.979 -19.002  -9.278
   51    H    GLN   8           H        GLN   8   4.027 -16.709  -6.032
   52    HA   GLN   8           HA       GLN   8   3.279 -19.007  -4.414
   53   1HB   GLN   8          2HB       GLN   8   3.079 -16.026  -4.001
   54   2HB   GLN   8          1HB       GLN   8   2.350 -17.177  -2.891
   55   1HG   GLN   8          2HG       GLN   8   5.198 -17.597  -3.539
   56   2HG   GLN   8          1HG       GLN   8   4.805 -16.174  -2.576
   57   1HE2  GLN   8          1HE2      GLN   8   6.154 -17.400  -1.014
   58   2HE2  GLN   8          2HE2      GLN   8   5.360 -18.533   0.020
   59    HA   PRO   9           HA       PRO   9  -0.949 -19.675  -5.491
   60   1HB   PRO   9          2HB       PRO   9  -1.618 -18.523  -2.797
   61   2HB   PRO   9          1HB       PRO   9  -2.241 -19.986  -3.580
   62   1HG   PRO   9          2HG       PRO   9  -0.370 -20.160  -1.698
   63   2HG   PRO   9          1HG       PRO   9  -0.320 -21.209  -3.126
   64   1HD   PRO   9          2HD       PRO   9   1.379 -18.877  -2.432
   65   2HD   PRO   9          1HD       PRO   9   1.762 -20.304  -3.415
   66    H    SER  10           H        SER  10  -1.320 -16.962  -3.273
   67    HA   SER  10           HA       SER  10  -1.619 -14.954  -5.252
   68   1HB   SER  10          2HB       SER  10  -3.992 -14.575  -5.157
   69   2HB   SER  10          1HB       SER  10  -3.751 -16.271  -5.574
   70    HG   SER  10           HG       SER  10  -4.891 -16.719  -3.881
   71    H    HIS  11           H        HIS  11  -0.843 -15.948  -2.359
   72    HA   HIS  11           HA       HIS  11  -1.266 -13.321  -1.128
   73   1HB   HIS  11          2HB       HIS  11  -1.723 -14.367   1.033
   74   2HB   HIS  11          1HB       HIS  11  -2.901 -14.887  -0.168
   75    HD2  HIS  11           2HD      HIS  11  -0.297 -16.353   2.227
   76    HE1  HIS  11           1HE      HIS  11  -1.808 -19.502  -0.162
   77    HE2  HIS  11           2HE      HIS  11  -0.271 -18.905   1.764
   78    H    ILE  12           H        ILE  12   0.497 -12.467  -0.235
   79    HA   ILE  12           HA       ILE  12   2.969 -14.029  -0.280
   80    HB   ILE  12           HB       ILE  12   3.097 -11.896  -1.393
   81   1HG1  ILE  12          2HG1      ILE  12   4.631 -10.756   0.644
   82   2HG1  ILE  12          1HG1      ILE  12   4.676 -12.486   0.977
   83   1HG2  ILE  12          1HG2      ILE  12   2.610 -10.313   1.060
   84   2HG2  ILE  12          2HG2      ILE  12   1.206 -11.019   0.259
   85   3HG2  ILE  12          3HG2      ILE  12   2.270  -9.927  -0.628
   86   1HD1  ILE  12          1HD1      ILE  12   5.921 -12.940  -0.835
   87   2HD1  ILE  12          2HD1      ILE  12   6.376 -11.243  -0.676
   88   3HD1  ILE  12          3HD1      ILE  12   5.124 -11.716  -1.824
   89    H    SER  13           H        SER  13   4.422 -14.023   1.546
   90    HA   SER  13           HA       SER  13   3.346 -14.677   3.979
   91   1HB   SER  13          2HB       SER  13   6.024 -13.739   3.092
   92   2HB   SER  13          1HB       SER  13   5.698 -13.666   4.823
   93    HG   SER  13           HG       SER  13   5.166 -15.891   4.732
   94    H    LYS  14           H        LYS  14   4.306 -11.497   2.790
   95    HA   LYS  14           HA       LYS  14   2.367 -10.144   4.310
   96   1HB   LYS  14          2HB       LYS  14   3.675  -9.009   5.962
   97   2HB   LYS  14          1HB       LYS  14   3.960 -10.734   6.146
   98   1HG   LYS  14          2HG       LYS  14   6.075 -10.499   4.919
   99   2HG   LYS  14          1HG       LYS  14   5.792  -8.762   4.795
  100   1HD   LYS  14          2HD       LYS  14   5.738  -8.646   7.275
  101   2HD   LYS  14          1HD       LYS  14   6.161 -10.359   7.327
  102   1HE   LYS  14          2HE       LYS  14   8.079  -9.384   5.669
  103   2HE   LYS  14          1HE       LYS  14   7.829  -8.012   6.747
  104   1HZ   LYS  14          1HZ       LYS  14   9.326  -9.130   7.985
  105   2HZ   LYS  14          2HZ       LYS  14   8.949 -10.637   7.314
  106   3HZ   LYS  14          3HZ       LYS  14   7.960  -9.977   8.518
  107    H    TYR  15           H        TYR  15   2.127  -8.048   3.681
  108    HA   TYR  15           HA       TYR  15   3.845  -7.100   1.500
  109   1HB   TYR  15          2HB       TYR  15   1.000  -7.059   1.995
  110   2HB   TYR  15          1HB       TYR  15   1.589  -5.412   1.827
  111    HD1  TYR  15           1HD      TYR  15   2.975  -4.880  -0.292
  112    HD2  TYR  15           2HD      TYR  15   0.532  -8.346   0.118
  113    HE1  TYR  15           1HE      TYR  15   2.904  -5.116  -2.740
  114    HE2  TYR  15           2HE      TYR  15   0.458  -8.587  -2.328
  115    HH   TYR  15           HH       TYR  15   0.800  -7.407  -4.307
  116    H    ILE  16           H        ILE  16   4.706  -4.973   1.590
  117    HA   ILE  16           HA       ILE  16   4.625  -3.782   4.280
  118    HB   ILE  16           HB       ILE  16   6.904  -4.462   2.688
  119   1HG1  ILE  16          2HG1      ILE  16   6.741  -4.783   5.096
  120   2HG1  ILE  16          1HG1      ILE  16   8.101  -3.724   4.737
  121   1HG2  ILE  16          1HG2      ILE  16   8.059  -2.448   2.368
  122   2HG2  ILE  16          2HG2      ILE  16   6.988  -1.551   3.443
  123   3HG2  ILE  16          3HG2      ILE  16   6.420  -2.039   1.847
  124   1HD1  ILE  16          1HD1      ILE  16   5.575  -3.157   6.155
  125   2HD1  ILE  16          2HD1      ILE  16   6.218  -1.872   5.132
  126   3HD1  ILE  16          3HD1      ILE  16   7.203  -2.538   6.436
  127    H    LEU  17           H        LEU  17   4.527  -1.583   4.490
  128    HA   LEU  17           HA       LEU  17   3.965  -0.125   2.016
  129   1HB   LEU  17          2HB       LEU  17   2.101  -0.685   3.989
  130   2HB   LEU  17          1HB       LEU  17   2.613   0.954   4.351
  131    HG   LEU  17           HG       LEU  17   2.208   1.145   1.673
  132   1HD1  LEU  17          1HD1      LEU  17  -0.152  -0.464   2.521
  133   2HD1  LEU  17          2HD1      LEU  17   1.295  -1.301   1.954
  134   3HD1  LEU  17          3HD1      LEU  17   0.476  -0.143   0.904
  135   1HD2  LEU  17          1HD2      LEU  17  -0.166   1.937   2.453
  136   2HD2  LEU  17          2HD2      LEU  17   1.283   2.807   2.958
  137   3HD2  LEU  17          3HD2      LEU  17   0.504   1.674   4.062
  138    H    ARG  18           H        ARG  18   5.628   1.131   1.769
  139    HA   ARG  18           HA       ARG  18   6.632   2.639   4.082
  140   1HB   ARG  18          2HB       ARG  18   8.079   1.466   1.712
  141   2HB   ARG  18          1HB       ARG  18   8.742   2.848   2.573
  142   1HG   ARG  18          2HG       ARG  18   9.353   1.617   4.356
  143   2HG   ARG  18          1HG       ARG  18   7.941   0.564   4.249
  144   1HD   ARG  18          2HD       ARG  18   8.938  -0.836   2.704
  145   2HD   ARG  18          1HD       ARG  18  10.073   0.402   2.164
  146    HE   ARG  18           HE       ARG  18  10.485  -1.486   4.240
  147   1HH1  ARG  18          1HH1      ARG  18  11.164   1.812   3.339
  148   2HH1  ARG  18          2HH1      ARG  18  12.609   1.908   4.287
  149   1HH2  ARG  18          1HH2      ARG  18  12.386  -1.365   5.494
  150   2HH2  ARG  18          2HH2      ARG  18  13.305   0.103   5.512
  151    H    TRP  19           H        TRP  19   6.249   4.802   3.877
  152    HA   TRP  19           HA       TRP  19   6.143   5.880   1.192
  153   1HB   TRP  19          2HB       TRP  19   3.903   6.143   0.963
  154   2HB   TRP  19          1HB       TRP  19   3.878   4.751   2.033
  155    HD1  TRP  19           HD       TRP  19   3.591   8.602   2.263
  156    HE1  TRP  19           1HE      TRP  19   2.019   9.154   4.238
  157    HE3  TRP  19           3HE      TRP  19   2.784   3.869   4.005
  158    HZ2  TRP  19           2HZ      TRP  19   0.621   7.750   6.260
  159    HZ3  TRP  19           3HZ      TRP  19   1.317   3.555   5.955
  160    HH2  TRP  19           HH       TRP  19   0.259   5.458   7.058
  161    H    ARG  20           H        ARG  20   5.855   8.069   0.993
  162    HA   ARG  20           HA       ARG  20   5.790   9.823   3.236
  163   1HB   ARG  20          2HB       ARG  20   7.958  10.669   3.227
  164   2HB   ARG  20          1HB       ARG  20   8.263   8.957   2.976
  165   1HG   ARG  20          2HG       ARG  20   7.935  10.662   0.574
  166   2HG   ARG  20          1HG       ARG  20   9.420  10.829   1.514
  167   1HD   ARG  20          2HD       ARG  20   9.094   8.104   1.331
  168   2HD   ARG  20          1HD       ARG  20   8.543   8.676  -0.241
  169    HE   ARG  20           HE       ARG  20  10.716   9.046  -0.765
  170   1HH1  ARG  20          1HH1      ARG  20  10.425   9.186   2.704
  171   2HH1  ARG  20          2HH1      ARG  20  12.119   9.434   2.962
  172   1HH2  ARG  20          1HH2      ARG  20  12.943   9.375  -0.434
  173   2HH2  ARG  20          2HH2      ARG  20  13.550   9.541   1.180
  174    HA   PRO  21           HA       PRO  21   3.840  12.181   0.128
  175   1HB   PRO  21          2HB       PRO  21   5.496  14.515   0.955
  176   2HB   PRO  21          1HB       PRO  21   3.744  14.375   0.787
  177   1HG   PRO  21          2HG       PRO  21   4.886  14.360   3.161
  178   2HG   PRO  21          1HG       PRO  21   3.494  13.338   2.830
  179   1HD   PRO  21          2HD       PRO  21   6.374  12.629   3.095
  180   2HD   PRO  21          1HD       PRO  21   4.926  11.702   3.539
  181    H    LYS  22           H        LYS  22   4.429  11.528  -1.730
  182    HA   LYS  22           HA       LYS  22   6.514  10.980  -3.119
  183   1HB   LYS  22          2HB       LYS  22   4.370  11.014  -4.094
  184   2HB   LYS  22          1HB       LYS  22   4.299  12.777  -4.060
  185   1HG   LYS  22          2HG       LYS  22   6.621  11.952  -5.515
  186   2HG   LYS  22          1HG       LYS  22   5.200  11.120  -6.149
  187   1HD   LYS  22          2HD       LYS  22   4.488  13.822  -5.670
  188   2HD   LYS  22          1HD       LYS  22   6.014  13.815  -6.559
  189   1HE   LYS  22          2HE       LYS  22   4.542  11.886  -7.850
  190   2HE   LYS  22          1HE       LYS  22   3.324  13.093  -7.438
  191   1HZ   LYS  22          1HZ       LYS  22   4.113  13.786  -9.484
  192   2HZ   LYS  22          2HZ       LYS  22   5.719  13.390  -9.133
  193   3HZ   LYS  22          3HZ       LYS  22   5.006  14.743  -8.413
  194    H    ASN  23           H        ASN  23   5.597  14.440  -2.841
  195    HA   ASN  23           HA       ASN  23   8.275  15.141  -3.816
  196   1HB   ASN  23          2HB       ASN  23   6.969  17.529  -3.554
  197   2HB   ASN  23          1HB       ASN  23   7.039  16.576  -5.033
  198   1HD2  ASN  23          1HD2      ASN  23   5.130  16.746  -5.951
  199   2HD2  ASN  23          2HD2      ASN  23   3.607  16.498  -5.175
  200    H    SER  24           H        SER  24   6.052  15.799  -1.137
  201    HA   SER  24           HA       SER  24   8.058  17.309   0.299
  202   1HB   SER  24          2HB       SER  24   5.176  16.739   0.610
  203   2HB   SER  24          1HB       SER  24   6.075  16.932   2.116
  204    HG   SER  24           HG       SER  24   5.220  18.915   1.242
  205    H    VAL  25           H        VAL  25   9.505  15.312   0.150
  206    HA   VAL  25           HA       VAL  25   9.081  12.982   1.592
  207    HB   VAL  25           HB       VAL  25  10.990  13.176   0.144
  208   1HG1  VAL  25          1HG1      VAL  25  12.762  14.758   1.758
  209   2HG1  VAL  25          2HG1      VAL  25  11.320  15.684   1.344
  210   3HG1  VAL  25          3HG1      VAL  25  12.302  14.965   0.068
  211   1HG2  VAL  25          1HG2      VAL  25  11.880  11.597   1.428
  212   2HG2  VAL  25          2HG2      VAL  25  11.203  12.324   2.884
  213   3HG2  VAL  25          3HG2      VAL  25  12.769  12.861   2.276
  214    H    GLY  26           H        GLY  26   8.806  12.571   3.688
  215   1HA   GLY  26          2HA       GLY  26  10.189  14.149   5.698
  216   2HA   GLY  26          1HA       GLY  26   8.438  14.289   5.710
  217    H    ARG  27           H        ARG  27  11.082  11.946   5.885
  218    HA   ARG  27           HA       ARG  27  11.352  10.037   7.079
  219   1HB   ARG  27          2HB       ARG  27   8.969  11.062   8.630
  220   2HB   ARG  27          1HB       ARG  27   9.992   9.717   9.120
  221   1HG   ARG  27          2HG       ARG  27  11.777  11.780   8.662
  222   2HG   ARG  27          1HG       ARG  27  10.395  12.563   9.432
  223   1HD   ARG  27          2HD       ARG  27  10.565  11.240  11.349
  224   2HD   ARG  27          1HD       ARG  27  11.555  10.029  10.535
  225    HE   ARG  27           HE       ARG  27  12.497  12.699  11.350
  226   1HH1  ARG  27          1HH1      ARG  27  13.073   9.351  10.579
  227   2HH1  ARG  27          2HH1      ARG  27  14.750   9.405  11.010
  228   1HH2  ARG  27          1HH2      ARG  27  14.704  12.780  11.925
  229   2HH2  ARG  27          2HH2      ARG  27  15.675  11.353  11.776
  230    H    TRP  28           H        TRP  28  10.952   8.063   6.402
  231    HA   TRP  28           HA       TRP  28   8.782   7.389   4.745
  232   1HB   TRP  28          2HB       TRP  28  10.930   5.839   6.150
  233   2HB   TRP  28          1HB       TRP  28   9.616   4.973   5.366
  234    HD1  TRP  28           HD       TRP  28  12.949   6.355   4.677
  235    HE1  TRP  28           1HE      TRP  28  13.423   6.375   2.148
  236    HE3  TRP  28           3HE      TRP  28   8.208   5.519   2.955
  237    HZ2  TRP  28           2HZ      TRP  28  11.979   6.075  -0.260
  238    HZ3  TRP  28           3HZ      TRP  28   7.836   5.406   0.525
  239    HH2  TRP  28           HH       TRP  28   9.686   5.674  -1.047
  240    H    LYS  29           H        LYS  29   7.295   5.502   5.193
  241    HA   LYS  29           HA       LYS  29   6.368   5.462   7.990
  242   1HB   LYS  29          2HB       LYS  29   4.640   5.577   5.507
  243   2HB   LYS  29          1HB       LYS  29   4.040   5.342   7.142
  244   1HG   LYS  29          2HG       LYS  29   5.717   7.728   6.640
  245   2HG   LYS  29          1HG       LYS  29   4.085   7.717   5.969
  246   1HD   LYS  29          2HD       LYS  29   3.493   8.506   7.990
  247   2HD   LYS  29          1HD       LYS  29   3.627   6.819   8.491
  248   1HE   LYS  29          2HE       LYS  29   5.218   7.391   9.929
  249   2HE   LYS  29          1HE       LYS  29   6.225   7.922   8.582
  250   1HZ   LYS  29          1HZ       LYS  29   5.229  10.107   8.727
  251   2HZ   LYS  29          2HZ       LYS  29   5.893   9.676  10.223
  252   3HZ   LYS  29          3HZ       LYS  29   4.219   9.603   9.989
  253    H    GLU  30           H        GLU  30   5.349   3.429   8.629
  254    HA   GLU  30           HA       GLU  30   5.917   1.234   6.746
  255   1HB   GLU  30          2HB       GLU  30   6.256   0.746   9.660
  256   2HB   GLU  30          1HB       GLU  30   7.069  -0.001   8.291
  257   1HG   GLU  30          2HG       GLU  30   7.667   2.833   8.560
  258   2HG   GLU  30          1HG       GLU  30   8.129   1.885   9.972
  259    H    ALA  31           H        ALA  31   4.293  -0.040   6.340
  260    HA   ALA  31           HA       ALA  31   2.320  -0.671   8.396
  261   1HB   ALA  31          1HB       ALA  31   1.777   0.962   6.033
  262   2HB   ALA  31          2HB       ALA  31   0.822   0.737   7.499
  263   3HB   ALA  31          3HB       ALA  31   0.708  -0.435   6.185
  264    H    THR  32           H        THR  32   2.473  -2.851   8.508
  265    HA   THR  32           HA       THR  32   2.993  -4.330   6.026
  266    HB   THR  32           HB       THR  32   3.016  -5.695   8.680
  267    HG1  THR  32           1HG      THR  32   5.248  -5.005   8.877
  268   1HG2  THR  32          1HG2      THR  32   3.542  -6.528   6.148
  269   2HG2  THR  32          2HG2      THR  32   4.220  -7.272   7.596
  270   3HG2  THR  32          3HG2      THR  32   5.159  -6.082   6.695
  271    H    ILE  33           H        ILE  33   1.508  -5.520   5.089
  272    HA   ILE  33           HA       ILE  33  -0.772  -6.530   6.629
  273    HB   ILE  33           HB       ILE  33  -1.864  -5.921   4.154
  274   1HG1  ILE  33          2HG1      ILE  33   0.316  -4.340   4.215
  275   2HG1  ILE  33          1HG1      ILE  33  -1.178  -3.887   3.417
  276   1HG2  ILE  33          1HG2      ILE  33  -2.977  -5.853   6.330
  277   2HG2  ILE  33          2HG2      ILE  33  -3.263  -4.380   5.400
  278   3HG2  ILE  33          3HG2      ILE  33  -2.100  -4.374   6.725
  279   1HD1  ILE  33          1HD1      ILE  33  -0.047  -2.170   4.907
  280   2HD1  ILE  33          2HD1      ILE  33  -0.618  -3.145   6.261
  281   3HD1  ILE  33          3HD1      ILE  33  -1.775  -2.430   5.139
  282    HA   PRO  34           HA       PRO  34   0.840  -9.972   4.152
  283   1HB   PRO  34          2HB       PRO  34  -0.355 -11.948   5.548
  284   2HB   PRO  34          1HB       PRO  34   1.102 -11.127   6.120
  285   1HG   PRO  34          2HG       PRO  34  -1.754 -10.662   6.897
  286   2HG   PRO  34          1HG       PRO  34  -0.318 -10.768   7.932
  287   1HD   PRO  34          2HD       PRO  34  -1.415  -8.401   7.192
  288   2HD   PRO  34          1HD       PRO  34   0.325  -8.601   7.475
  289    H    GLY  35           H        GLY  35  -0.096 -10.065   2.205
  290   1HA   GLY  35          2HA       GLY  35  -1.592 -10.619   0.559
  291   2HA   GLY  35          1HA       GLY  35  -2.372 -11.648   1.748
  292    H    HIS  36           H        HIS  36  -2.210  -8.427   2.763
  293    HA   HIS  36           HA       HIS  36  -3.819  -6.861   3.137
  294   1HB   HIS  36          2HB       HIS  36  -3.937  -7.516   0.285
  295   2HB   HIS  36          1HB       HIS  36  -5.436  -6.831   0.904
  296    HD2  HIS  36           2HD      HIS  36  -4.144  -4.597   2.913
  297    HE1  HIS  36           1HE      HIS  36  -2.230  -3.246  -0.610
  298    HE2  HIS  36           2HE      HIS  36  -3.057  -2.584   1.693
  299    H    LEU  37           H        LEU  37  -4.813  -8.081   4.800
  300    HA   LEU  37           HA       LEU  37  -6.883  -9.949   4.334
  301   1HB   LEU  37          2HB       LEU  37  -7.462  -9.007   6.829
  302   2HB   LEU  37          1HB       LEU  37  -6.348 -10.307   6.474
  303    HG   LEU  37           HG       LEU  37  -5.526  -8.591   8.108
  304   1HD1  LEU  37          1HD1      LEU  37  -3.606  -9.521   7.531
  305   2HD1  LEU  37          2HD1      LEU  37  -3.399  -8.238   6.339
  306   3HD1  LEU  37          3HD1      LEU  37  -4.157  -9.761   5.873
  307   1HD2  LEU  37          1HD2      LEU  37  -5.988  -6.473   7.526
  308   2HD2  LEU  37          2HD2      LEU  37  -6.026  -6.841   5.802
  309   3HD2  LEU  37          3HD2      LEU  37  -4.482  -6.592   6.617
  310    H    ASN  38           H        ASN  38  -6.797  -6.550   4.182
  311    HA   ASN  38           HA       ASN  38  -9.566  -6.444   3.439
  312   1HB   ASN  38          2HB       ASN  38  -9.860  -4.476   5.192
  313   2HB   ASN  38          1HB       ASN  38 -10.202  -6.148   5.627
  314   1HD2  ASN  38          1HD2      ASN  38  -7.507  -3.844   5.552
  315   2HD2  ASN  38          2HD2      ASN  38  -6.808  -4.353   7.048
  316    H    SER  39           H        SER  39 -10.141  -3.905   3.261
  317    HA   SER  39           HA       SER  39  -8.235  -2.896   1.364
  318   1HB   SER  39          2HB       SER  39 -11.001  -2.559   1.856
  319   2HB   SER  39          1HB       SER  39 -10.262  -0.965   2.004
  320    HG   SER  39           HG       SER  39 -10.592  -1.117  -0.117
  321    H    TYR  40           H        TYR  40  -6.414  -2.027   2.137
  322    HA   TYR  40           HA       TYR  40  -6.548  -0.292   4.495
  323   1HB   TYR  40          2HB       TYR  40  -4.866  -2.218   4.277
  324   2HB   TYR  40          1HB       TYR  40  -4.027  -1.196   3.114
  325    HD1  TYR  40           1HD      TYR  40  -4.696  -1.822   6.613
  326    HD2  TYR  40           2HD      TYR  40  -3.068   0.983   3.860
  327    HE1  TYR  40           1HE      TYR  40  -3.536  -0.690   8.462
  328    HE2  TYR  40           2HE      TYR  40  -1.901   2.122   5.702
  329    HH   TYR  40           HH       TYR  40  -1.051   1.293   8.134
  330    H    THR  41           H        THR  41  -7.045   1.739   3.955
  331    HA   THR  41           HA       THR  41  -5.531   2.985   1.754
  332    HB   THR  41           HB       THR  41  -7.393   4.413   1.250
  333    HG1  THR  41           1HG      THR  41  -9.270   3.254   2.860
  334   1HG2  THR  41          1HG2      THR  41  -8.710   1.742   1.577
  335   2HG2  THR  41          2HG2      THR  41  -7.348   1.936   0.473
  336   3HG2  THR  41          3HG2      THR  41  -8.817   2.882   0.236
  337    H    ILE  42           H        ILE  42  -4.760   5.067   2.064
  338    HA   ILE  42           HA       ILE  42  -4.570   5.901   4.861
  339    HB   ILE  42           HB       ILE  42  -2.975   6.702   2.424
  340   1HG1  ILE  42          2HG1      ILE  42  -1.330   5.713   4.473
  341   2HG1  ILE  42          1HG1      ILE  42  -2.721   4.635   4.430
  342   1HG2  ILE  42          1HG2      ILE  42  -3.014   8.659   3.695
  343   2HG2  ILE  42          2HG2      ILE  42  -1.522   7.857   4.190
  344   3HG2  ILE  42          3HG2      ILE  42  -2.950   7.778   5.223
  345   1HD1  ILE  42          1HD1      ILE  42  -0.478   4.585   2.780
  346   2HD1  ILE  42          2HD1      ILE  42  -1.795   5.181   1.769
  347   3HD1  ILE  42          3HD1      ILE  42  -1.958   3.639   2.611
  348    H    LYS  43           H        LYS  43  -5.435   7.759   5.600
  349    HA   LYS  43           HA       LYS  43  -6.944   9.370   3.662
  350   1HB   LYS  43          2HB       LYS  43  -7.396   9.233   6.637
  351   2HB   LYS  43          1HB       LYS  43  -8.466   9.914   5.419
  352   1HG   LYS  43          2HG       LYS  43  -7.740   7.052   5.169
  353   2HG   LYS  43          1HG       LYS  43  -8.856   7.514   6.455
  354   1HD   LYS  43          2HD       LYS  43 -10.046   8.831   4.526
  355   2HD   LYS  43          1HD       LYS  43  -9.185   7.688   3.494
  356   1HE   LYS  43          2HE       LYS  43 -10.756   6.172   3.898
  357   2HE   LYS  43          1HE       LYS  43 -10.322   6.203   5.606
  358   1HZ   LYS  43          1HZ       LYS  43 -12.331   7.933   4.269
  359   2HZ   LYS  43          2HZ       LYS  43 -11.869   8.072   5.891
  360   3HZ   LYS  43          3HZ       LYS  43 -12.649   6.671   5.351
  361    H    GLY  44           H        GLY  44  -4.138   9.492   5.438
  362   1HA   GLY  44          2HA       GLY  44  -4.079  12.022   6.595
  363   2HA   GLY  44          1HA       GLY  44  -2.681  11.224   5.881
  364    H    LEU  45           H        LEU  45  -2.823  11.216   3.379
  365    HA   LEU  45           HA       LEU  45  -2.240  13.598   2.299
  366   1HB   LEU  45          2HB       LEU  45  -3.561  12.512   0.167
  367   2HB   LEU  45          1HB       LEU  45  -1.936  12.087   0.668
  368    HG   LEU  45           HG       LEU  45  -4.005  10.563   2.063
  369   1HD1  LEU  45          1HD1      LEU  45  -4.889  10.919  -0.327
  370   2HD1  LEU  45          2HD1      LEU  45  -4.832   9.284   0.333
  371   3HD1  LEU  45          3HD1      LEU  45  -3.589   9.822  -0.796
  372   1HD2  LEU  45          1HD2      LEU  45  -1.391  10.044   0.711
  373   2HD2  LEU  45          2HD2      LEU  45  -2.451   8.706   1.153
  374   3HD2  LEU  45          3HD2      LEU  45  -1.848   9.801   2.398
  375    H    LYS  46           H        LYS  46  -3.269  15.475   2.501
  376    HA   LYS  46           HA       LYS  46  -6.183  15.516   2.211
  377   1HB   LYS  46          2HB       LYS  46  -6.054  17.777   3.236
  378   2HB   LYS  46          1HB       LYS  46  -5.399  16.520   4.276
  379   1HG   LYS  46          2HG       LYS  46  -3.512  17.655   4.450
  380   2HG   LYS  46          1HG       LYS  46  -3.268  17.518   2.707
  381   1HD   LYS  46          2HD       LYS  46  -3.764  19.669   2.390
  382   2HD   LYS  46          1HD       LYS  46  -5.242  19.535   3.345
  383   1HE   LYS  46          2HE       LYS  46  -4.242  20.274   5.245
  384   2HE   LYS  46          1HE       LYS  46  -2.686  19.551   4.836
  385   1HZ   LYS  46          1HZ       LYS  46  -2.441  21.337   3.141
  386   2HZ   LYS  46          2HZ       LYS  46  -2.448  21.896   4.736
  387   3HZ   LYS  46          3HZ       LYS  46  -3.827  22.074   3.773
  388    HA   PRO  47           HA       PRO  47  -6.515  17.432  -1.700
  389   1HB   PRO  47          2HB       PRO  47  -7.598  19.939  -0.892
  390   2HB   PRO  47          1HB       PRO  47  -8.462  18.522  -1.496
  391   1HG   PRO  47          2HG       PRO  47  -8.006  19.405   1.301
  392   2HG   PRO  47          1HG       PRO  47  -9.368  18.504   0.608
  393   1HD   PRO  47          2HD       PRO  47  -7.546  17.287   2.139
  394   2HD   PRO  47          1HD       PRO  47  -8.230  16.472   0.714
  395    H    GLY  48           H        GLY  48  -4.507  17.799  -2.451
  396   1HA   GLY  48          2HA       GLY  48  -3.295  19.772  -3.367
  397   2HA   GLY  48          1HA       GLY  48  -3.238  20.360  -1.715
  398    H    VAL  49           H        VAL  49  -2.782  17.266  -1.118
  399    HA   VAL  49           HA       VAL  49   0.119  17.387  -1.627
  400    HB   VAL  49           HB       VAL  49  -0.513  17.725   0.767
  401   1HG1  VAL  49          1HG1      VAL  49  -1.653  14.996   0.353
  402   2HG1  VAL  49          2HG1      VAL  49  -2.337  16.381   1.205
  403   3HG1  VAL  49          3HG1      VAL  49  -1.022  15.461   1.933
  404   1HG2  VAL  49          1HG2      VAL  49   1.083  15.842   1.563
  405   2HG2  VAL  49          2HG2      VAL  49   1.694  17.070   0.456
  406   3HG2  VAL  49          3HG2      VAL  49   1.240  15.478  -0.156
  407    H    VAL  50           H        VAL  50   1.186  15.621  -2.312
  408    HA   VAL  50           HA       VAL  50  -0.416  13.208  -2.862
  409    HB   VAL  50           HB       VAL  50   0.272  14.031  -4.961
  410   1HG1  VAL  50          1HG1      VAL  50   2.469  14.836  -5.494
  411   2HG1  VAL  50          2HG1      VAL  50   3.072  14.372  -3.903
  412   3HG1  VAL  50          3HG1      VAL  50   1.893  15.675  -4.054
  413   1HG2  VAL  50          1HG2      VAL  50   1.042  12.074  -5.688
  414   2HG2  VAL  50          2HG2      VAL  50   1.278  11.608  -4.004
  415   3HG2  VAL  50          3HG2      VAL  50   2.604  12.335  -4.911
  416    H    TYR  51           H        TYR  51   0.185  11.365  -1.868
  417    HA   TYR  51           HA       TYR  51   2.735  11.370  -0.394
  418   1HB   TYR  51          2HB       TYR  51   0.074  10.109   0.103
  419   2HB   TYR  51          1HB       TYR  51   1.512   9.310   0.721
  420    HD1  TYR  51           1HD      TYR  51  -0.589  12.300   0.943
  421    HD2  TYR  51           2HD      TYR  51   2.731  10.223   2.584
  422    HE1  TYR  51           1HE      TYR  51  -0.680  13.739   2.928
  423    HE2  TYR  51           2HE      TYR  51   2.662  11.665   4.574
  424    HH   TYR  51           HH       TYR  51   1.190  13.096   5.760
  425    H    GLU  52           H        GLU  52   4.317  10.138  -1.193
  426    HA   GLU  52           HA       GLU  52   3.727   8.174  -3.230
  427   1HB   GLU  52          2HB       GLU  52   5.731   9.248  -3.701
  428   2HB   GLU  52          1HB       GLU  52   6.225   9.286  -2.016
  429   1HG   GLU  52          2HG       GLU  52   6.926   7.058  -2.049
  430   2HG   GLU  52          1HG       GLU  52   6.046   6.711  -3.538
  431    H    GLY  53           H        GLY  53   3.389   6.067  -2.891
  432   1HA   GLY  53          2HA       GLY  53   4.053   5.002  -0.218
  433   2HA   GLY  53          1HA       GLY  53   2.650   4.499  -1.147
  434    H    GLN  54           H        GLN  54   4.764   2.838  -0.025
  435    HA   GLN  54           HA       GLN  54   5.682   1.641  -2.564
  436   1HB   GLN  54          2HB       GLN  54   7.302   1.820  -0.019
  437   2HB   GLN  54          1HB       GLN  54   7.794   1.002  -1.496
  438   1HG   GLN  54          2HG       GLN  54   7.111   3.616  -2.242
  439   2HG   GLN  54          1HG       GLN  54   8.064   3.753  -0.765
  440   1HE2  GLN  54          1HE2      GLN  54   9.123   4.797  -2.969
  441   2HE2  GLN  54          2HE2      GLN  54  10.418   3.824  -3.569
  442    H    LEU  55           H        LEU  55   4.813  -0.298  -2.811
  443    HA   LEU  55           HA       LEU  55   4.067  -1.825  -0.422
  444   1HB   LEU  55          2HB       LEU  55   3.124  -1.787  -3.251
  445   2HB   LEU  55          1HB       LEU  55   2.973  -3.279  -2.343
  446    HG   LEU  55           HG       LEU  55   1.903  -0.727  -1.206
  447   1HD1  LEU  55          1HD1      LEU  55   1.113  -1.421  -3.667
  448   2HD1  LEU  55          2HD1      LEU  55   0.030  -0.709  -2.470
  449   3HD1  LEU  55          3HD1      LEU  55   0.046  -2.454  -2.715
  450   1HD2  LEU  55          1HD2      LEU  55   2.107  -2.869   0.111
  451   2HD2  LEU  55          2HD2      LEU  55   0.881  -3.541  -0.963
  452   3HD2  LEU  55          3HD2      LEU  55   0.498  -2.149   0.049
  453    H    ILE  56           H        ILE  56   5.713  -3.052   0.253
  454    HA   ILE  56           HA       ILE  56   7.284  -4.513  -1.760
  455    HB   ILE  56           HB       ILE  56   7.958  -3.603   1.027
  456   1HG1  ILE  56          2HG1      ILE  56   9.967  -2.692  -0.165
  457   2HG1  ILE  56          1HG1      ILE  56   9.240  -3.205  -1.681
  458   1HG2  ILE  56          1HG2      ILE  56   9.125  -5.465   1.358
  459   2HG2  ILE  56          2HG2      ILE  56  10.207  -4.908   0.080
  460   3HG2  ILE  56          3HG2      ILE  56   8.877  -6.001  -0.304
  461   1HD1  ILE  56          1HD1      ILE  56   7.966  -1.394  -1.769
  462   2HD1  ILE  56          2HD1      ILE  56   8.938  -0.760  -0.439
  463   3HD1  ILE  56          3HD1      ILE  56   7.424  -1.602  -0.103
  464    H    SER  57           H        SER  57   6.655  -6.528  -2.020
  465    HA   SER  57           HA       SER  57   5.250  -7.957   0.082
  466   1HB   SER  57          2HB       SER  57   5.754  -8.343  -2.828
  467   2HB   SER  57          1HB       SER  57   5.418  -9.770  -1.845
  468    HG   SER  57           HG       SER  57   3.485  -8.960  -2.621
  469    H    ILE  58           H        ILE  58   6.315  -9.206   1.503
  470    HA   ILE  58           HA       ILE  58   8.944 -10.216   0.713
  471    HB   ILE  58           HB       ILE  58   7.959  -9.246   3.361
  472   1HG1  ILE  58          2HG1      ILE  58  10.120  -8.632   1.393
  473   2HG1  ILE  58          1HG1      ILE  58   9.051  -7.536   2.259
  474   1HG2  ILE  58          1HG2      ILE  58  10.342 -10.197   4.073
  475   2HG2  ILE  58          2HG2      ILE  58   9.951 -11.387   2.831
  476   3HG2  ILE  58          3HG2      ILE  58   8.872 -11.160   4.207
  477   1HD1  ILE  58          1HD1      ILE  58  10.528  -8.531   4.302
  478   2HD1  ILE  58          2HD1      ILE  58  10.886  -7.040   3.432
  479   3HD1  ILE  58          3HD1      ILE  58  11.701  -8.539   2.985
  480    H    GLN  59           H        GLN  59   9.396 -12.262   0.801
  481    HA   GLN  59           HA       GLN  59   7.311 -14.145   1.600
  482   1HB   GLN  59          2HB       GLN  59   9.212 -14.042  -0.529
  483   2HB   GLN  59          1HB       GLN  59   9.565 -15.456   0.453
  484   1HG   GLN  59          2HG       GLN  59   7.185 -16.128   0.232
  485   2HG   GLN  59          1HG       GLN  59   6.958 -14.782  -0.885
  486   1HE2  GLN  59          1HE2      GLN  59   9.341 -17.376  -0.408
  487   2HE2  GLN  59          2HE2      GLN  59   9.379 -17.876  -2.061
  488    H    GLN  60           H        GLN  60   8.621 -16.361   2.242
  489    HA   GLN  60           HA       GLN  60   9.485 -15.900   4.885
  490   1HB   GLN  60          2HB       GLN  60  10.158 -18.333   4.806
  491   2HB   GLN  60          1HB       GLN  60   8.480 -17.995   4.396
  492   1HG   GLN  60          2HG       GLN  60   8.717 -18.692   2.272
  493   2HG   GLN  60          1HG       GLN  60  10.352 -18.048   2.130
  494   1HE2  GLN  60          1HE2      GLN  60  12.032 -19.260   3.368
  495   2HE2  GLN  60          2HE2      GLN  60  11.917 -20.984   3.390
  496    H    TYR  61           H        TYR  61  11.139 -15.404   2.034
  497    HA   TYR  61           HA       TYR  61  13.761 -15.999   3.217
  498   1HB   TYR  61          2HB       TYR  61  12.919 -15.427   0.375
  499   2HB   TYR  61          1HB       TYR  61  14.602 -15.555   0.877
  500    HD1  TYR  61           1HD      TYR  61  15.051 -17.793   2.342
  501    HD2  TYR  61           2HD      TYR  61  11.999 -17.300  -0.582
  502    HE1  TYR  61           1HE      TYR  61  14.959 -20.231   2.036
  503    HE2  TYR  61           2HE      TYR  61  11.899 -19.737  -0.896
  504    HH   TYR  61           HH       TYR  61  12.455 -21.767   0.257
  505    H    GLY  62           H        GLY  62  11.715 -13.496   3.250
  506   1HA   GLY  62          2HA       GLY  62  12.249 -11.350   4.075
  507   2HA   GLY  62          1HA       GLY  62  13.897 -11.564   3.505
  508    H    HIS  63           H        HIS  63  14.258  -9.906   2.136
  509    HA   HIS  63           HA       HIS  63  12.496  -8.439   0.662
  510   1HB   HIS  63          2HB       HIS  63  15.323  -9.257  -0.010
  511   2HB   HIS  63          1HB       HIS  63  14.417  -8.100  -0.981
  512    HD2  HIS  63           2HD      HIS  63  14.140  -5.579   0.088
  513    HE1  HIS  63           1HE      HIS  63  16.429  -6.361   3.560
  514    HE2  HIS  63           2HE      HIS  63  15.147  -4.597   2.266
  515    H    GLN  64           H        GLN  64  10.848  -9.329  -0.431
  516    HA   GLN  64           HA       GLN  64  11.450 -11.474  -2.336
  517   1HB   GLN  64          2HB       GLN  64   9.901 -12.219  -0.719
  518   2HB   GLN  64          1HB       GLN  64   8.939 -10.757  -0.863
  519   1HG   GLN  64          2HG       GLN  64   7.758 -12.479  -1.956
  520   2HG   GLN  64          1HG       GLN  64   8.427 -11.429  -3.204
  521   1HE2  GLN  64          1HE2      GLN  64  10.458 -13.607  -1.446
  522   2HE2  GLN  64          2HE2      GLN  64  10.726 -14.732  -2.725
  523    H    GLU  65           H        GLU  65   9.331  -8.626  -2.025
  524    HA   GLU  65           HA       GLU  65   9.741  -8.009  -4.837
  525   1HB   GLU  65          2HB       GLU  65   7.381  -9.285  -3.894
  526   2HB   GLU  65          1HB       GLU  65   6.959  -7.625  -4.300
  527   1HG   GLU  65          2HG       GLU  65   8.359  -9.558  -6.139
  528   2HG   GLU  65          1HG       GLU  65   6.636  -9.189  -6.170
  529    H    VAL  66           H        VAL  66   9.475  -5.886  -5.370
  530    HA   VAL  66           HA       VAL  66   8.705  -4.046  -3.219
  531    HB   VAL  66           HB       VAL  66  10.959  -3.860  -2.948
  532   1HG1  VAL  66          1HG1      VAL  66  11.572  -4.057  -5.869
  533   2HG1  VAL  66          2HG1      VAL  66  11.289  -5.498  -4.888
  534   3HG1  VAL  66          3HG1      VAL  66  12.613  -4.399  -4.486
  535   1HG2  VAL  66          1HG2      VAL  66  10.897  -2.007  -5.298
  536   2HG2  VAL  66          2HG2      VAL  66  11.621  -1.772  -3.707
  537   3HG2  VAL  66          3HG2      VAL  66   9.869  -1.688  -3.901
  538    H    THR  67           H        THR  67   7.438  -2.403  -3.865
  539    HA   THR  67           HA       THR  67   7.420  -1.646  -6.693
  540    HB   THR  67           HB       THR  67   5.345  -3.142  -5.416
  541    HG1  THR  67           1HG      THR  67   5.653  -1.961  -7.989
  542   1HG2  THR  67          1HG2      THR  67   3.397  -1.826  -5.740
  543   2HG2  THR  67          2HG2      THR  67   4.308  -0.541  -6.532
  544   3HG2  THR  67          3HG2      THR  67   4.504  -0.822  -4.803
  545    H    ARG  68           H        ARG  68   7.504   0.498  -6.955
  546    HA   ARG  68           HA       ARG  68   6.810   2.208  -4.656
  547   1HB   ARG  68          2HB       ARG  68   8.570   3.207  -6.843
  548   2HB   ARG  68          1HB       ARG  68   8.583   3.593  -5.129
  549   1HG   ARG  68          2HG       ARG  68   9.879   1.788  -4.586
  550   2HG   ARG  68          1HG       ARG  68   9.331   0.841  -5.970
  551   1HD   ARG  68          2HD       ARG  68  10.566   2.842  -7.259
  552   2HD   ARG  68          1HD       ARG  68  11.505   2.834  -5.768
  553    HE   ARG  68           HE       ARG  68  12.477   0.884  -6.446
  554   1HH1  ARG  68          1HH1      ARG  68   9.543   1.359  -8.266
  555   2HH1  ARG  68          2HH1      ARG  68   9.819   0.006  -9.310
  556   1HH2  ARG  68          1HH2      ARG  68  12.851  -0.896  -7.821
  557   2HH2  ARG  68          2HH2      ARG  68  11.698  -1.276  -9.057
  558    H    PHE  69           H        PHE  69   5.123   3.533  -4.878
  559    HA   PHE  69           HA       PHE  69   4.527   4.825  -7.399
  560   1HB   PHE  69          2HB       PHE  69   2.673   2.787  -6.176
  561   2HB   PHE  69          1HB       PHE  69   2.091   4.052  -7.251
  562    HD1  PHE  69           1HD      PHE  69   3.469   4.226  -9.527
  563    HD2  PHE  69           2HD      PHE  69   3.164   0.756  -7.083
  564    HE1  PHE  69           1HE      PHE  69   4.015   2.815 -11.468
  565    HE2  PHE  69           2HE      PHE  69   3.710  -0.661  -9.017
  566    HZ   PHE  69           HZ       PHE  69   4.136   0.368 -11.215
  567    H    ASP  70           H        ASP  70   3.883   6.859  -6.992
  568    HA   ASP  70           HA       ASP  70   3.053   7.554  -4.289
  569   1HB   ASP  70          2HB       ASP  70   3.114   9.894  -5.776
  570   2HB   ASP  70          1HB       ASP  70   4.415   9.284  -4.758
  571    H    PHE  71           H        PHE  71   1.057   8.360  -3.778
  572    HA   PHE  71           HA       PHE  71  -0.855   8.865  -5.927
  573   1HB   PHE  71          2HB       PHE  71  -2.502   7.368  -5.095
  574   2HB   PHE  71          1HB       PHE  71  -1.007   6.438  -5.243
  575    HD1  PHE  71           1HD      PHE  71   0.049   5.498  -3.323
  576    HD2  PHE  71           2HD      PHE  71  -3.325   8.078  -2.873
  577    HE1  PHE  71           1HE      PHE  71  -0.143   4.831  -0.962
  578    HE2  PHE  71           2HE      PHE  71  -3.518   7.401  -0.513
  579    HZ   PHE  71           HZ       PHE  71  -1.930   5.781   0.443
  580    H    THR  72           H        THR  72  -2.816   9.852  -5.216
  581    HA   THR  72           HA       THR  72  -2.906  10.906  -2.522
  582    HB   THR  72           HB       THR  72  -1.843  12.801  -3.163
  583    HG1  THR  72           1HG      THR  72  -3.515  14.220  -4.366
  584   1HG2  THR  72          1HG2      THR  72  -1.742  13.625  -5.510
  585   2HG2  THR  72          2HG2      THR  72  -2.721  12.241  -5.997
  586   3HG2  THR  72          3HG2      THR  72  -1.116  11.989  -5.312
  587    H    THR  73           H        THR  73  -4.968  11.058  -1.849
  588    HA   THR  73           HA       THR  73  -7.134  10.562  -3.767
  589    HB   THR  73           HB       THR  73  -6.868   9.335  -1.464
  590    HG1  THR  73           1HG      THR  73  -8.798   9.504  -2.950
  591   1HG2  THR  73          1HG2      THR  73  -7.047  11.991  -0.549
  592   2HG2  THR  73          2HG2      THR  73  -7.080  10.518   0.424
  593   3HG2  THR  73          3HG2      THR  73  -8.588  11.236  -0.142
  594    H    THR  74           H        THR  74  -5.411  12.932  -3.007
  595    HA   THR  74           HA       THR  74  -7.436  14.942  -2.371
  596    HB   THR  74           HB       THR  74  -5.836  15.955  -1.166
  597    HG1  THR  74           1HG      THR  74  -3.551  15.946  -2.152
  598   1HG2  THR  74          1HG2      THR  74  -3.805  13.824  -1.572
  599   2HG2  THR  74          2HG2      THR  74  -5.389  13.297  -0.997
  600   3HG2  THR  74          3HG2      THR  74  -4.474  14.490  -0.075
  601    H    SER  75           H        SER  75  -5.256  13.823  -4.792
  602    HA   SER  75           HA       SER  75  -5.551  16.251  -6.390
  603   1HB   SER  75          2HB       SER  75  -3.331  14.947  -5.935
  604   2HB   SER  75          1HB       SER  75  -3.922  13.864  -7.197
  605    HG   SER  75           HG       SER  75  -3.785  15.460  -8.665
  606    H    THR  76           H        THR  76  -7.876  14.778  -6.048
  607    HA   THR  76           HA       THR  76  -8.311  13.757  -8.773
  608    HB   THR  76           HB       THR  76  -9.985  12.152  -7.798
  609    HG1  THR  76           1HG      THR  76  -9.811  13.416  -5.661
  610   1HG2  THR  76          1HG2      THR  76  -8.420  10.521  -7.770
  611   2HG2  THR  76          2HG2      THR  76  -7.447  11.332  -6.542
  612   3HG2  THR  76          3HG2      THR  76  -7.325  11.825  -8.232
  613    H    SER  77           H        SER  77  -9.965  14.893  -5.821
  614    HA   SER  77           HA       SER  77 -12.130  15.958  -7.483
  615   1HB   SER  77          2HB       SER  77 -13.107  16.419  -5.088
  616   2HB   SER  77          1HB       SER  77 -13.116  14.781  -5.744
  617    HG   SER  77           HG       SER  77 -12.276  15.130  -3.514
  618    H    THR  78           H        THR  78 -12.924  17.914  -5.467
  619    HA   THR  78           HA       THR  78 -10.735  19.849  -5.462
  620    HB   THR  78           HB       THR  78 -11.940  20.159  -7.615
  621    HG1  THR  78           1HG      THR  78 -12.557  22.497  -6.970
  622   1HG2  THR  78          1HG2      THR  78 -14.158  19.597  -7.274
  623   2HG2  THR  78          2HG2      THR  78 -14.238  21.360  -7.256
  624   3HG2  THR  78          3HG2      THR  78 -14.248  20.460  -5.736
  625    HA   PRO  79           HA       PRO  79 -13.885  20.489  -2.026
  626   1HB   PRO  79          2HB       PRO  79 -13.583  18.562  -0.248
  627   2HB   PRO  79          1HB       PRO  79 -14.483  18.259  -1.734
  628   1HG   PRO  79          2HG       PRO  79 -11.721  17.424  -0.990
  629   2HG   PRO  79          1HG       PRO  79 -12.935  16.564  -1.952
  630   1HD   PRO  79          2HD       PRO  79 -10.786  18.124  -2.934
  631   2HD   PRO  79          1HD       PRO  79 -12.139  17.466  -3.873
  632    H    GLY  80           H        GLY  80 -13.473  20.820   0.423
  633   1HA   GLY  80          2HA       GLY  80 -10.624  21.368   0.936
  634   2HA   GLY  80          1HA       GLY  80 -11.814  22.642   1.157
  635    H    SER  81           H        SER  81 -12.632  22.883   3.124
  636    HA   SER  81           HA       SER  81 -13.047  22.552   5.335
  637   1HB   SER  81          2HB       SER  81 -13.470  19.650   5.136
  638   2HB   SER  81          1HB       SER  81 -14.568  20.915   5.685
  639    HG   SER  81           HG       SER  81 -14.104  19.965   3.078
  640    H    ARG  82           H        ARG  82 -12.639  20.344   7.009
  641    HA   ARG  82           HA       ARG  82 -11.060  19.439   8.368
  642   1HB   ARG  82          2HB       ARG  82 -10.595  18.390   5.930
  643   2HB   ARG  82          1HB       ARG  82  -9.051  19.186   6.204
  644   1HG   ARG  82          2HG       ARG  82  -8.906  17.976   8.385
  645   2HG   ARG  82          1HG       ARG  82 -10.346  17.073   7.908
  646   1HD   ARG  82          2HD       ARG  82  -8.641  15.661   7.242
  647   2HD   ARG  82          1HD       ARG  82  -8.994  16.546   5.760
  648    HE   ARG  82           HE       ARG  82  -6.997  17.799   6.080
  649   1HH1  ARG  82          1HH1      ARG  82  -7.422  15.197   8.360
  650   2HH1  ARG  82          2HH1      ARG  82  -5.750  15.149   8.811
  651   1HH2  ARG  82          1HH2      ARG  82  -4.797  17.743   6.670
  652   2HH2  ARG  82          2HH2      ARG  82  -4.259  16.595   7.850
  653    H    SER  83           H        SER  83 -10.928  22.389   7.456
  654    HA   SER  83           HA       SER  83  -8.697  23.073   9.097
  655   1HB   SER  83          2HB       SER  83  -7.624  22.526   6.866
  656   2HB   SER  83          1HB       SER  83  -8.477  23.920   6.204
  657    HG   SER  83           HG       SER  83  -6.208  24.150   7.110
  658    H    HIS  84           H        HIS  84  -9.505  25.146   6.425
  659    HA   HIS  84           HA       HIS  84 -10.494  27.190   6.330
  660   1HB   HIS  84          2HB       HIS  84 -12.386  25.422   7.706
  661   2HB   HIS  84          1HB       HIS  84 -12.649  27.131   8.040
  662    HD2  HIS  84           2HD      HIS  84 -12.332  28.516   5.243
  663    HE1  HIS  84           1HE      HIS  84 -14.872  25.478   3.753
  664    HE2  HIS  84           2HE      HIS  84 -13.757  27.696   3.238
  665    H    HIS  85           H        HIS  85  -8.512  26.573   8.501
  666    HA   HIS  85           HA       HIS  85  -8.831  29.071   9.928
  667   1HB   HIS  85          2HB       HIS  85  -9.675  26.696  11.153
  668   2HB   HIS  85          1HB       HIS  85  -8.097  27.037  11.855
  669    HD2  HIS  85           2HD      HIS  85  -8.098  28.884  13.813
  670    HE1  HIS  85           1HE      HIS  85 -12.001  30.367  13.121
  671    HE2  HIS  85           2HE      HIS  85  -9.917  30.580  14.550
  672    H    HIS  86           H        HIS  86  -6.848  29.220  11.564
  673    HA   HIS  86           HA       HIS  86  -4.489  28.504   9.971
  674   1HB   HIS  86          2HB       HIS  86  -5.290  30.894  11.283
  675   2HB   HIS  86          1HB       HIS  86  -3.850  30.298  12.104
  676    HD2  HIS  86           2HD      HIS  86  -2.472  32.499  10.976
  677    HE1  HIS  86           1HE      HIS  86  -2.499  30.850   7.078
  678    HE2  HIS  86           2HE      HIS  86  -1.395  32.535   8.616
  679    H    HIS  87           H        HIS  87  -4.292  26.366  10.729
  680    HA   HIS  87           HA       HIS  87  -3.124  26.190  13.415
  681   1HB   HIS  87          2HB       HIS  87  -5.374  24.552  12.301
  682   2HB   HIS  87          1HB       HIS  87  -4.264  23.834  13.464
  683    HD2  HIS  87           2HD      HIS  87  -7.495  25.647  13.474
  684    HE1  HIS  87           1HE      HIS  87  -5.693  26.517  17.204
  685    HE2  HIS  87           2HE      HIS  87  -7.875  26.443  15.914
  686    H    HIS  88           H        HIS  88  -1.331  24.952  13.555
  687    HA   HIS  88           HA       HIS  88   0.514  23.809  12.873
  688   1HB   HIS  88          2HB       HIS  88  -1.520  22.099  12.651
  689   2HB   HIS  88          1HB       HIS  88  -1.073  22.178  10.951
  690    HD2  HIS  88           2HD      HIS  88   1.630  21.353  10.423
  691    HE1  HIS  88           1HE      HIS  88   1.851  19.153  14.032
  692    HE2  HIS  88           2HE      HIS  88   2.835  19.453  11.715
  693    H    HIS  89           H        HIS  89   1.014  25.913  11.768
  694    HA   HIS  89           HA       HIS  89   0.953  25.702   8.842
  695   1HB   HIS  89          2HB       HIS  89   1.692  28.114   8.935
  696   2HB   HIS  89          1HB       HIS  89   0.095  27.796   9.606
  697    HD2  HIS  89           2HD      HIS  89   3.699  28.697  10.840
  698    HE1  HIS  89           1HE      HIS  89   0.906  29.425  13.935
  699    HE2  HIS  89           2HE      HIS  89   3.355  29.504  13.281
  Start of MODEL   21
    1   1H    MET   1          1HT       MET   1  11.761 -34.221   7.488
    2   2H    MET   1          2HT       MET   1  12.237 -35.727   8.095
    3   3H    MET   1          3HT       MET   1  10.902 -34.929   8.763
    4    HA   MET   1           HA       MET   1  10.313 -36.792   7.263
    5   1HB   MET   1          2HB       MET   1   8.550 -35.516   6.133
    6   2HB   MET   1          1HB       MET   1   8.765 -34.965   7.788
    7   1HG   MET   1          2HG       MET   1  10.457 -33.390   6.185
    8   2HG   MET   1          1HG       MET   1   8.905 -33.482   5.355
    9   1HE   MET   1          1HE       MET   1   9.874 -30.271   7.491
   10   2HE   MET   1          2HE       MET   1  10.940 -31.595   7.021
   11   3HE   MET   1          3HE       MET   1  10.489 -31.384   8.713
   12    H    ARG   2           H        ARG   2  12.769 -34.865   6.188
   13    HA   ARG   2           HA       ARG   2  13.988 -34.707   4.274
   14   1HB   ARG   2          2HB       ARG   2  13.912 -37.234   4.727
   15   2HB   ARG   2          1HB       ARG   2  12.727 -37.308   3.430
   16   1HG   ARG   2          2HG       ARG   2  14.480 -36.116   2.003
   17   2HG   ARG   2          1HG       ARG   2  15.620 -36.543   3.282
   18   1HD   ARG   2          2HD       ARG   2  15.076 -38.899   2.999
   19   2HD   ARG   2          1HD       ARG   2  13.893 -38.490   1.757
   20    HE   ARG   2           HE       ARG   2  16.784 -38.511   1.483
   21   1HH1  ARG   2          1HH1      ARG   2  13.703 -37.616   0.123
   22   2HH1  ARG   2          2HH1      ARG   2  14.309 -37.491  -1.495
   23   1HH2  ARG   2          1HH2      ARG   2  17.590 -38.349  -0.645
   24   2HH2  ARG   2          2HH2      ARG   2  16.518 -37.907  -1.932
   25    H    GLY   3           H        GLY   3  12.022 -33.054   4.013
   26   1HA   GLY   3          2HA       GLY   3  11.628 -32.466   1.425
   27   2HA   GLY   3          1HA       GLY   3  10.364 -33.654   1.706
   28    H    SER   4           H        SER   4   8.770 -32.082   1.269
   29    HA   SER   4           HA       SER   4   7.215 -30.513   1.802
   30   1HB   SER   4          2HB       SER   4   8.227 -31.317   4.515
   31   2HB   SER   4          1HB       SER   4   7.029 -30.031   4.354
   32    HG   SER   4           HG       SER   4   5.748 -31.734   4.440
   33    H    ASN   5           H        ASN   5   8.185 -28.816   0.684
   34    HA   ASN   5           HA       ASN   5  10.055 -27.089   2.090
   35   1HB   ASN   5          2HB       ASN   5   8.951 -26.401  -0.598
   36   2HB   ASN   5          1HB       ASN   5  10.574 -26.161   0.041
   37   1HD2  ASN   5          1HD2      ASN   5   9.131 -27.639  -2.322
   38   2HD2  ASN   5          2HD2      ASN   5  10.015 -29.120  -2.416
   39    H    ALA   6           H        ALA   6   7.530 -27.215   3.279
   40    HA   ALA   6           HA       ALA   6   5.940 -25.875   4.191
   41   1HB   ALA   6          1HB       ALA   6   7.925 -23.910   3.184
   42   2HB   ALA   6          2HB       ALA   6   7.359 -24.211   4.828
   43   3HB   ALA   6          3HB       ALA   6   6.349 -23.310   3.698
   44    HA   PRO   7           HA       PRO   7   3.138 -26.000   0.656
   45   1HB   PRO   7          2HB       PRO   7   1.292 -25.104   2.818
   46   2HB   PRO   7          1HB       PRO   7   1.094 -26.403   1.636
   47   1HG   PRO   7          2HG       PRO   7   1.689 -26.957   4.169
   48   2HG   PRO   7          1HG       PRO   7   2.415 -27.880   2.840
   49   1HD   PRO   7          2HD       PRO   7   3.619 -25.755   4.554
   50   2HD   PRO   7          1HD       PRO   7   4.367 -27.211   3.868
   51    H    GLN   8           H        GLN   8   3.050 -24.381  -0.756
   52    HA   GLN   8           HA       GLN   8   3.396 -21.662  -0.030
   53   1HB   GLN   8          2HB       GLN   8   2.244 -22.485  -2.672
   54   2HB   GLN   8          1HB       GLN   8   3.371 -21.185  -2.312
   55   1HG   GLN   8          2HG       GLN   8   5.190 -22.612  -2.211
   56   2HG   GLN   8          1HG       GLN   8   4.185 -24.035  -1.936
   57   1HE2  GLN   8          1HE2      GLN   8   2.919 -24.827  -3.718
   58   2HE2  GLN   8          2HE2      GLN   8   3.471 -24.584  -5.337
   59    HA   PRO   9           HA       PRO   9  -0.922 -21.061   1.135
   60   1HB   PRO   9          2HB       PRO   9  -0.021 -18.273   1.498
   61   2HB   PRO   9          1HB       PRO   9  -0.778 -19.369   2.657
   62   1HG   PRO   9          2HG       PRO   9   1.814 -18.715   2.840
   63   2HG   PRO   9          1HG       PRO   9   1.232 -20.338   3.257
   64   1HD   PRO   9          2HD       PRO   9   2.619 -19.402   0.774
   65   2HD   PRO   9          1HD       PRO   9   2.838 -20.909   1.689
   66    H    SER  10           H        SER  10  -2.629 -19.475   0.476
   67    HA   SER  10           HA       SER  10  -2.503 -19.061  -2.367
   68   1HB   SER  10          2HB       SER  10  -4.551 -19.762  -0.901
   69   2HB   SER  10          1HB       SER  10  -4.731 -18.028  -0.640
   70    HG   SER  10           HG       SER  10  -5.896 -18.959  -2.484
   71    H    HIS  11           H        HIS  11  -1.245 -17.351   0.076
   72    HA   HIS  11           HA       HIS  11  -1.252 -14.893  -1.479
   73   1HB   HIS  11          2HB       HIS  11  -1.651 -13.587   0.697
   74   2HB   HIS  11          1HB       HIS  11  -3.049 -14.332  -0.069
   75    HD2  HIS  11           2HD      HIS  11  -4.292 -16.327   1.366
   76    HE1  HIS  11           1HE      HIS  11  -1.779 -16.001   4.756
   77    HE2  HIS  11           2HE      HIS  11  -3.985 -16.894   3.879
   78    H    ILE  12           H        ILE  12   0.204 -13.222  -0.235
   79    HA   ILE  12           HA       ILE  12   2.759 -14.506   0.096
   80    HB   ILE  12           HB       ILE  12   2.687 -12.420  -1.109
   81   1HG1  ILE  12          2HG1      ILE  12   4.022 -11.094   0.993
   82   2HG1  ILE  12          1HG1      ILE  12   4.295 -12.816   1.248
   83   1HG2  ILE  12          1HG2      ILE  12   2.131 -10.589   1.047
   84   2HG2  ILE  12          2HG2      ILE  12   0.776 -11.686   0.778
   85   3HG2  ILE  12          3HG2      ILE  12   1.394 -10.703  -0.551
   86   1HD1  ILE  12          1HD1      ILE  12   5.566 -13.027  -0.605
   87   2HD1  ILE  12          2HD1      ILE  12   5.857 -11.317  -0.288
   88   3HD1  ILE  12          3HD1      ILE  12   4.670 -11.799  -1.499
   89    H    SER  13           H        SER  13   4.082 -14.449   1.948
   90    HA   SER  13           HA       SER  13   2.930 -14.990   4.390
   91   1HB   SER  13          2HB       SER  13   5.661 -13.800   3.840
   92   2HB   SER  13          1HB       SER  13   5.166 -14.496   5.382
   93    HG   SER  13           HG       SER  13   5.151 -15.899   2.915
   94    H    LYS  14           H        LYS  14   4.160 -11.896   3.178
   95    HA   LYS  14           HA       LYS  14   2.217 -10.394   4.577
   96   1HB   LYS  14          2HB       LYS  14   3.870  -9.135   6.040
   97   2HB   LYS  14          1HB       LYS  14   3.434 -10.752   6.571
   98   1HG   LYS  14          2HG       LYS  14   5.594 -11.395   5.182
   99   2HG   LYS  14          1HG       LYS  14   6.017  -9.720   5.548
  100   1HD   LYS  14          2HD       LYS  14   5.006 -10.880   7.924
  101   2HD   LYS  14          1HD       LYS  14   6.168 -12.016   7.236
  102   1HE   LYS  14          2HE       LYS  14   7.748 -10.055   7.008
  103   2HE   LYS  14          1HE       LYS  14   6.612  -9.138   7.995
  104   1HZ   LYS  14          1HZ       LYS  14   7.250 -11.661   9.165
  105   2HZ   LYS  14          2HZ       LYS  14   7.360 -10.111   9.831
  106   3HZ   LYS  14          3HZ       LYS  14   8.638 -10.728   8.911
  107    H    TYR  15           H        TYR  15   2.113  -8.300   3.869
  108    HA   TYR  15           HA       TYR  15   4.025  -7.536   1.762
  109   1HB   TYR  15          2HB       TYR  15   1.246  -7.673   1.692
  110   2HB   TYR  15          1HB       TYR  15   1.566  -5.959   1.931
  111    HD1  TYR  15           1HD      TYR  15   3.629  -5.123   0.314
  112    HD2  TYR  15           2HD      TYR  15   0.922  -8.310  -0.478
  113    HE1  TYR  15           1HE      TYR  15   4.037  -4.861  -2.097
  114    HE2  TYR  15           2HE      TYR  15   1.321  -8.057  -2.889
  115    HH   TYR  15           HH       TYR  15   2.242  -5.738  -4.367
  116    H    ILE  16           H        ILE  16   4.878  -5.415   1.772
  117    HA   ILE  16           HA       ILE  16   4.475  -3.987   4.311
  118    HB   ILE  16           HB       ILE  16   6.906  -4.900   3.190
  119   1HG1  ILE  16          2HG1      ILE  16   6.379  -4.740   5.574
  120   2HG1  ILE  16          1HG1      ILE  16   7.865  -3.866   5.213
  121   1HG2  ILE  16          1HG2      ILE  16   6.877  -2.873   1.775
  122   2HG2  ILE  16          2HG2      ILE  16   8.212  -2.874   2.928
  123   3HG2  ILE  16          3HG2      ILE  16   6.786  -1.880   3.231
  124   1HD1  ILE  16          1HD1      ILE  16   6.463  -2.639   6.778
  125   2HD1  ILE  16          2HD1      ILE  16   5.146  -2.627   5.603
  126   3HD1  ILE  16          3HD1      ILE  16   6.642  -1.756   5.261
  127    H    LEU  17           H        LEU  17   4.251  -1.785   4.276
  128    HA   LEU  17           HA       LEU  17   3.956  -0.575   1.615
  129   1HB   LEU  17          2HB       LEU  17   1.931  -1.009   3.451
  130   2HB   LEU  17          1HB       LEU  17   2.376   0.665   3.727
  131    HG   LEU  17           HG       LEU  17   2.110   0.110   0.897
  132   1HD1  LEU  17          1HD1      LEU  17  -0.361  -0.126   0.934
  133   2HD1  LEU  17          2HD1      LEU  17  -0.262  -0.447   2.665
  134   3HD1  LEU  17          3HD1      LEU  17   0.501  -1.549   1.518
  135   1HD2  LEU  17          1HD2      LEU  17   0.200   1.942   1.607
  136   2HD2  LEU  17          2HD2      LEU  17   1.870   2.312   1.174
  137   3HD2  LEU  17          3HD2      LEU  17   1.416   2.140   2.871
  138    H    ARG  18           H        ARG  18   5.567   0.794   1.374
  139    HA   ARG  18           HA       ARG  18   6.348   2.436   3.683
  140   1HB   ARG  18          2HB       ARG  18   8.352   2.319   1.584
  141   2HB   ARG  18          1HB       ARG  18   8.514   1.990   3.304
  142   1HG   ARG  18          2HG       ARG  18   7.224  -0.232   2.531
  143   2HG   ARG  18          1HG       ARG  18   8.121   0.139   1.055
  144   1HD   ARG  18          2HD       ARG  18   9.391   0.017   3.783
  145   2HD   ARG  18          1HD       ARG  18   9.283  -1.375   2.703
  146    HE   ARG  18           HE       ARG  18  10.474   0.381   1.114
  147   1HH1  ARG  18          1HH1      ARG  18  11.081  -0.375   4.460
  148   2HH1  ARG  18          2HH1      ARG  18  12.769   0.003   4.373
  149   1HH2  ARG  18          1HH2      ARG  18  12.697   0.877   0.988
  150   2HH2  ARG  18          2HH2      ARG  18  13.689   0.714   2.400
  151    H    TRP  19           H        TRP  19   6.092   4.579   3.448
  152    HA   TRP  19           HA       TRP  19   6.208   5.750   0.817
  153   1HB   TRP  19          2HB       TRP  19   4.008   6.175   0.416
  154   2HB   TRP  19          1HB       TRP  19   3.836   4.680   1.321
  155    HD1  TRP  19           HD       TRP  19   3.489   8.504   1.810
  156    HE1  TRP  19           1HE      TRP  19   1.812   8.900   3.732
  157    HE3  TRP  19           3HE      TRP  19   2.776   3.659   3.301
  158    HZ2  TRP  19           2HZ      TRP  19   0.393   7.367   5.630
  159    HZ3  TRP  19           3HZ      TRP  19   1.248   3.213   5.178
  160    HH2  TRP  19           HH       TRP  19   0.082   5.030   6.317
  161    H    ARG  20           H        ARG  20   5.798   8.003   0.758
  162    HA   ARG  20           HA       ARG  20   5.696   9.546   3.154
  163   1HB   ARG  20          2HB       ARG  20   7.848  10.446   3.201
  164   2HB   ARG  20          1HB       ARG  20   8.153   8.747   2.868
  165   1HG   ARG  20          2HG       ARG  20   8.000  10.852   0.726
  166   2HG   ARG  20          1HG       ARG  20   9.500  10.368   1.521
  167   1HD   ARG  20          2HD       ARG  20   8.949   8.000   0.822
  168   2HD   ARG  20          1HD       ARG  20   7.679   8.690  -0.191
  169    HE   ARG  20           HE       ARG  20  10.437   8.595  -0.792
  170   1HH1  ARG  20          1HH1      ARG  20   7.658  10.681  -1.057
  171   2HH1  ARG  20          2HH1      ARG  20   8.260  11.520  -2.447
  172   1HH2  ARG  20          1HH2      ARG  20  11.240   9.696  -2.620
  173   2HH2  ARG  20          2HH2      ARG  20  10.295  10.958  -3.338
  174    HA   PRO  21           HA       PRO  21   3.693  12.278   0.337
  175   1HB   PRO  21          2HB       PRO  21   4.614  14.689   1.404
  176   2HB   PRO  21          1HB       PRO  21   3.184  13.806   1.947
  177   1HG   PRO  21          2HG       PRO  21   5.948  13.804   3.043
  178   2HG   PRO  21          1HG       PRO  21   4.410  13.794   3.918
  179   1HD   PRO  21          2HD       PRO  21   5.868  11.589   3.687
  180   2HD   PRO  21          1HD       PRO  21   4.097  11.515   3.524
  181    H    LYS  22           H        LYS  22   4.478  12.278  -1.651
  182    HA   LYS  22           HA       LYS  22   7.064  12.561  -2.520
  183   1HB   LYS  22          2HB       LYS  22   4.969  11.816  -3.793
  184   2HB   LYS  22          1HB       LYS  22   4.712  13.518  -4.128
  185   1HG   LYS  22          2HG       LYS  22   5.928  12.041  -5.865
  186   2HG   LYS  22          1HG       LYS  22   6.537  13.662  -5.529
  187   1HD   LYS  22          2HD       LYS  22   8.246  12.743  -4.066
  188   2HD   LYS  22          1HD       LYS  22   7.598  11.118  -4.295
  189   1HE   LYS  22          2HE       LYS  22   8.506  10.900  -6.361
  190   2HE   LYS  22          1HE       LYS  22   8.309  12.609  -6.745
  191   1HZ   LYS  22          1HZ       LYS  22  10.255  11.956  -4.678
  192   2HZ   LYS  22          2HZ       LYS  22  10.323  13.125  -5.898
  193   3HZ   LYS  22          3HZ       LYS  22  10.660  11.508  -6.259
  194    H    ASN  23           H        ASN  23   4.726  15.120  -1.849
  195    HA   ASN  23           HA       ASN  23   6.614  17.130  -2.833
  196   1HB   ASN  23          2HB       ASN  23   3.866  16.965  -3.004
  197   2HB   ASN  23          1HB       ASN  23   4.109  18.127  -1.702
  198   1HD2  ASN  23          1HD2      ASN  23   5.087  17.376  -5.010
  199   2HD2  ASN  23          2HD2      ASN  23   5.306  19.015  -5.507
  200    H    SER  24           H        SER  24   4.845  16.280   0.130
  201    HA   SER  24           HA       SER  24   6.114  18.371   1.642
  202   1HB   SER  24          2HB       SER  24   4.233  18.026   2.818
  203   2HB   SER  24          1HB       SER  24   3.967  16.454   2.064
  204    HG   SER  24           HG       SER  24   5.179  17.092   4.469
  205    H    VAL  25           H        VAL  25   7.978  18.292   2.694
  206    HA   VAL  25           HA       VAL  25   9.652  15.986   2.529
  207    HB   VAL  25           HB       VAL  25  10.745  18.091   2.428
  208   1HG1  VAL  25          1HG1      VAL  25   9.309  19.629   3.404
  209   2HG1  VAL  25          2HG1      VAL  25  10.673  19.599   4.521
  210   3HG1  VAL  25          3HG1      VAL  25   9.195  18.718   4.910
  211   1HG2  VAL  25          1HG2      VAL  25  11.715  17.755   5.098
  212   2HG2  VAL  25          2HG2      VAL  25  12.485  17.324   3.572
  213   3HG2  VAL  25          3HG2      VAL  25  11.417  16.174   4.376
  214    H    GLY  26           H        GLY  26   9.470  14.262   3.791
  215   1HA   GLY  26          2HA       GLY  26   9.284  14.571   6.667
  216   2HA   GLY  26          1HA       GLY  26   7.896  13.792   5.923
  217    H    ARG  27           H        ARG  27   8.682  12.068   7.462
  218    HA   ARG  27           HA       ARG  27  10.957  10.549   6.424
  219   1HB   ARG  27          2HB       ARG  27   9.424  10.556   8.989
  220   2HB   ARG  27          1HB       ARG  27  10.268   9.089   8.514
  221   1HG   ARG  27          2HG       ARG  27  11.824  10.167   9.831
  222   2HG   ARG  27          1HG       ARG  27  12.309  10.641   8.200
  223   1HD   ARG  27          2HD       ARG  27  12.318  12.536   9.770
  224   2HD   ARG  27          1HD       ARG  27  11.176  12.765   8.445
  225    HE   ARG  27           HE       ARG  27   9.856  11.606  10.648
  226   1HH1  ARG  27          1HH1      ARG  27  11.267  14.623   9.620
  227   2HH1  ARG  27          2HH1      ARG  27  10.230  15.594  10.611
  228   1HH2  ARG  27          1HH2      ARG  27   8.491  12.876  11.958
  229   2HH2  ARG  27          2HH2      ARG  27   8.654  14.601  11.942
  230    H    TRP  28           H        TRP  28  10.735   8.204   6.141
  231    HA   TRP  28           HA       TRP  28   8.584   7.556   4.434
  232   1HB   TRP  28          2HB       TRP  28  10.802   5.975   5.694
  233   2HB   TRP  28          1HB       TRP  28   9.515   5.145   4.828
  234    HD1  TRP  28           HD       TRP  28  12.652   7.167   4.280
  235    HE1  TRP  28           1HE      TRP  28  13.164   7.277   1.760
  236    HE3  TRP  28           3HE      TRP  28   8.276   5.232   2.477
  237    HZ2  TRP  28           2HZ      TRP  28  11.880   6.630  -0.672
  238    HZ3  TRP  28           3HZ      TRP  28   7.995   5.016   0.041
  239    HH2  TRP  28           HH       TRP  28   9.762   5.700  -1.499
  240    H    LYS  29           H        LYS  29   7.418   5.343   4.828
  241    HA   LYS  29           HA       LYS  29   6.413   5.174   7.580
  242   1HB   LYS  29          2HB       LYS  29   4.968   6.465   5.654
  243   2HB   LYS  29          1HB       LYS  29   4.369   4.821   5.484
  244   1HG   LYS  29          2HG       LYS  29   2.984   5.239   7.158
  245   2HG   LYS  29          1HG       LYS  29   4.386   5.299   8.227
  246   1HD   LYS  29          2HD       LYS  29   4.585   7.755   7.434
  247   2HD   LYS  29          1HD       LYS  29   2.912   7.553   6.912
  248   1HE   LYS  29          2HE       LYS  29   2.775   6.543   9.414
  249   2HE   LYS  29          1HE       LYS  29   4.046   7.745   9.624
  250   1HZ   LYS  29          1HZ       LYS  29   1.226   8.116   9.228
  251   2HZ   LYS  29          2HZ       LYS  29   2.167   9.078   8.203
  252   3HZ   LYS  29          3HZ       LYS  29   2.374   9.175   9.878
  253    H    GLU  30           H        GLU  30   5.270   3.102   7.984
  254    HA   GLU  30           HA       GLU  30   5.848   1.007   6.022
  255   1HB   GLU  30          2HB       GLU  30   6.464  -0.134   8.529
  256   2HB   GLU  30          1HB       GLU  30   7.547   0.149   7.173
  257   1HG   GLU  30          2HG       GLU  30   8.687   1.574   8.415
  258   2HG   GLU  30          1HG       GLU  30   7.264   2.610   8.511
  259    H    ALA  31           H        ALA  31   4.228  -0.376   5.811
  260    HA   ALA  31           HA       ALA  31   2.409  -0.874   8.050
  261   1HB   ALA  31          1HB       ALA  31   1.730   0.824   5.929
  262   2HB   ALA  31          2HB       ALA  31   0.647   0.139   7.142
  263   3HB   ALA  31          3HB       ALA  31   0.895  -0.697   5.607
  264    H    THR  32           H        THR  32   2.460  -3.022   8.323
  265    HA   THR  32           HA       THR  32   3.009  -4.736   6.028
  266    HB   THR  32           HB       THR  32   2.640  -5.847   8.772
  267    HG1  THR  32           1HG      THR  32   4.437  -3.905   8.113
  268   1HG2  THR  32          1HG2      THR  32   3.517  -7.641   7.783
  269   2HG2  THR  32          2HG2      THR  32   4.971  -6.727   7.382
  270   3HG2  THR  32          3HG2      THR  32   3.607  -6.751   6.264
  271    H    ILE  33           H        ILE  33   1.397  -5.529   4.903
  272    HA   ILE  33           HA       ILE  33  -1.091  -6.291   6.286
  273    HB   ILE  33           HB       ILE  33  -1.615  -5.904   3.520
  274   1HG1  ILE  33          2HG1      ILE  33   0.430  -4.399   3.674
  275   2HG1  ILE  33          1HG1      ILE  33  -1.044  -3.638   3.092
  276   1HG2  ILE  33          1HG2      ILE  33  -3.115  -4.075   4.488
  277   2HG2  ILE  33          2HG2      ILE  33  -2.495  -4.581   6.059
  278   3HG2  ILE  33          3HG2      ILE  33  -3.368  -5.729   5.045
  279   1HD1  ILE  33          1HD1      ILE  33  -1.011  -3.292   5.881
  280   2HD1  ILE  33          2HD1      ILE  33  -0.789  -2.073   4.625
  281   3HD1  ILE  33          3HD1      ILE  33   0.608  -2.916   5.294
  282    HA   PRO  34           HA       PRO  34   0.464 -10.259   4.752
  283   1HB   PRO  34          2HB       PRO  34  -2.009 -11.246   6.032
  284   2HB   PRO  34          1HB       PRO  34  -0.331 -11.742   6.279
  285   1HG   PRO  34          2HG       PRO  34  -1.647 -10.292   8.111
  286   2HG   PRO  34          1HG       PRO  34   0.083 -10.057   7.804
  287   1HD   PRO  34          2HD       PRO  34  -2.245  -8.406   6.912
  288   2HD   PRO  34          1HD       PRO  34  -0.636  -7.886   7.456
  289    H    GLY  35           H        GLY  35   0.051  -9.776   2.562
  290   1HA   GLY  35          2HA       GLY  35  -1.064  -9.860   0.548
  291   2HA   GLY  35          1HA       GLY  35  -1.602 -11.412   1.166
  292    H    HIS  36           H        HIS  36  -2.407  -8.023   1.947
  293    HA   HIS  36           HA       HIS  36  -4.414  -6.983   2.229
  294   1HB   HIS  36          2HB       HIS  36  -4.289  -7.638  -0.321
  295   2HB   HIS  36          1HB       HIS  36  -5.613  -8.720   0.105
  296    HD2  HIS  36           2HD      HIS  36  -8.054  -7.571   0.244
  297    HE1  HIS  36           1HE      HIS  36  -6.727  -3.560  -0.013
  298    HE2  HIS  36           2HE      HIS  36  -8.751  -5.072   0.205
  299    H    LEU  37           H        LEU  37  -4.274  -8.530   4.236
  300    HA   LEU  37           HA       LEU  37  -6.082 -10.690   4.409
  301   1HB   LEU  37          2HB       LEU  37  -5.698 -10.662   6.765
  302   2HB   LEU  37          1HB       LEU  37  -4.184 -10.348   5.950
  303    HG   LEU  37           HG       LEU  37  -4.121  -8.897   7.757
  304   1HD1  LEU  37          1HD1      LEU  37  -5.407  -7.100   5.726
  305   2HD1  LEU  37          2HD1      LEU  37  -3.772  -7.738   5.551
  306   3HD1  LEU  37          3HD1      LEU  37  -4.172  -6.698   6.919
  307   1HD2  LEU  37          1HD2      LEU  37  -6.030  -8.777   8.908
  308   2HD2  LEU  37          2HD2      LEU  37  -7.029  -8.866   7.458
  309   3HD2  LEU  37          3HD2      LEU  37  -6.324  -7.325   7.951
  310    H    ASN  38           H        ASN  38  -6.563  -7.284   4.541
  311    HA   ASN  38           HA       ASN  38  -9.382  -7.557   4.540
  312   1HB   ASN  38          2HB       ASN  38 -10.024  -6.838   6.657
  313   2HB   ASN  38          1HB       ASN  38  -8.663  -7.892   7.026
  314   1HD2  ASN  38          1HD2      ASN  38  -9.946  -5.385   8.245
  315   2HD2  ASN  38          2HD2      ASN  38  -8.588  -4.379   8.604
  316    H    SER  39           H        SER  39 -10.259  -5.130   5.306
  317    HA   SER  39           HA       SER  39  -9.163  -3.430   3.266
  318   1HB   SER  39          2HB       SER  39 -11.010  -2.023   4.941
  319   2HB   SER  39          1HB       SER  39 -11.241  -2.596   3.290
  320    HG   SER  39           HG       SER  39 -11.645  -4.718   4.392
  321    H    TYR  40           H        TYR  40  -7.258  -2.495   3.679
  322    HA   TYR  40           HA       TYR  40  -6.765  -1.378   6.339
  323   1HB   TYR  40          2HB       TYR  40  -4.468  -1.442   5.860
  324   2HB   TYR  40          1HB       TYR  40  -5.091  -2.905   5.112
  325    HD1  TYR  40           1HD      TYR  40  -5.380  -3.000   2.638
  326    HD2  TYR  40           2HD      TYR  40  -3.446   0.268   4.559
  327    HE1  TYR  40           1HE      TYR  40  -4.385  -2.329   0.488
  328    HE2  TYR  40           2HE      TYR  40  -2.448   0.947   2.417
  329    HH   TYR  40           HH       TYR  40  -3.492   0.028  -0.473
  330    H    THR  41           H        THR  41  -6.781   0.748   6.721
  331    HA   THR  41           HA       THR  41  -7.318   2.516   4.449
  332    HB   THR  41           HB       THR  41  -9.001   2.581   6.189
  333    HG1  THR  41           1HG      THR  41  -9.138   4.693   5.993
  334   1HG2  THR  41          1HG2      THR  41  -8.235   2.088   8.256
  335   2HG2  THR  41          2HG2      THR  41  -7.985   3.829   8.375
  336   3HG2  THR  41          3HG2      THR  41  -6.641   2.773   7.941
  337    H    ILE  42           H        ILE  42  -6.267   4.461   4.153
  338    HA   ILE  42           HA       ILE  42  -3.565   4.583   5.233
  339    HB   ILE  42           HB       ILE  42  -4.903   5.846   2.851
  340   1HG1  ILE  42          2HG1      ILE  42  -2.229   4.494   2.898
  341   2HG1  ILE  42          1HG1      ILE  42  -3.695   3.519   2.961
  342   1HG2  ILE  42          1HG2      ILE  42  -2.728   7.038   2.445
  343   2HG2  ILE  42          2HG2      ILE  42  -2.299   6.670   4.115
  344   3HG2  ILE  42          3HG2      ILE  42  -3.702   7.680   3.769
  345   1HD1  ILE  42          1HD1      ILE  42  -2.598   5.164   0.753
  346   2HD1  ILE  42          2HD1      ILE  42  -4.348   4.999   0.881
  347   3HD1  ILE  42          3HD1      ILE  42  -3.336   3.563   0.718
  348    H    LYS  43           H        LYS  43  -2.841   6.234   6.454
  349    HA   LYS  43           HA       LYS  43  -4.226   7.506   8.311
  350   1HB   LYS  43          2HB       LYS  43  -1.819   8.401   6.784
  351   2HB   LYS  43          1HB       LYS  43  -2.503   9.453   8.015
  352   1HG   LYS  43          2HG       LYS  43  -0.653   8.049   8.848
  353   2HG   LYS  43          1HG       LYS  43  -2.167   7.782   9.710
  354   1HD   LYS  43          2HD       LYS  43  -2.404   5.900   7.807
  355   2HD   LYS  43          1HD       LYS  43  -0.644   5.973   7.929
  356   1HE   LYS  43          2HE       LYS  43  -2.197   4.421   9.493
  357   2HE   LYS  43          1HE       LYS  43  -0.619   5.038   9.980
  358   1HZ   LYS  43          1HZ       LYS  43  -3.173   6.439  10.549
  359   2HZ   LYS  43          2HZ       LYS  43  -1.643   6.799  11.176
  360   3HZ   LYS  43          3HZ       LYS  43  -2.431   5.373  11.634
  361    H    GLY  44           H        GLY  44  -3.908   8.762   5.002
  362   1HA   GLY  44          2HA       GLY  44  -5.987   9.811   4.146
  363   2HA   GLY  44          1HA       GLY  44  -6.055  10.682   5.668
  364    H    LEU  45           H        LEU  45  -5.200  10.883   2.474
  365    HA   LEU  45           HA       LEU  45  -3.169  12.947   2.926
  366   1HB   LEU  45          2HB       LEU  45  -4.034  11.779   0.275
  367   2HB   LEU  45          1HB       LEU  45  -2.605  12.734   0.607
  368    HG   LEU  45           HG       LEU  45  -1.717  10.620   0.443
  369   1HD1  LEU  45          1HD1      LEU  45  -0.857  10.073   2.508
  370   2HD1  LEU  45          2HD1      LEU  45  -2.372  10.412   3.345
  371   3HD1  LEU  45          3HD1      LEU  45  -1.376  11.741   2.755
  372   1HD2  LEU  45          1HD2      LEU  45  -3.841   9.442   0.195
  373   2HD2  LEU  45          2HD2      LEU  45  -4.087   9.520   1.940
  374   3HD2  LEU  45          3HD2      LEU  45  -2.748   8.583   1.279
  375    H    LYS  46           H        LYS  46  -3.729  15.020   2.878
  376    HA   LYS  46           HA       LYS  46  -6.408  15.781   2.115
  377   1HB   LYS  46          2HB       LYS  46  -5.988  17.851   3.175
  378   2HB   LYS  46          1HB       LYS  46  -5.175  16.643   4.158
  379   1HG   LYS  46          2HG       LYS  46  -3.589  17.983   2.043
  380   2HG   LYS  46          1HG       LYS  46  -4.020  18.923   3.472
  381   1HD   LYS  46          2HD       LYS  46  -3.136  16.863   4.779
  382   2HD   LYS  46          1HD       LYS  46  -2.340  16.456   3.258
  383   1HE   LYS  46          2HE       LYS  46  -1.795  19.151   3.615
  384   2HE   LYS  46          1HE       LYS  46  -1.655  18.464   5.232
  385   1HZ   LYS  46          1HZ       LYS  46  -0.394  16.835   3.251
  386   2HZ   LYS  46          2HZ       LYS  46   0.239  17.461   4.689
  387   3HZ   LYS  46          3HZ       LYS  46   0.253  18.399   3.283
  388    HA   PRO  47           HA       PRO  47  -5.936  16.913  -2.124
  389   1HB   PRO  47          2HB       PRO  47  -7.228  19.441  -1.705
  390   2HB   PRO  47          1HB       PRO  47  -7.895  17.976  -2.424
  391   1HG   PRO  47          2HG       PRO  47  -8.128  18.994   0.339
  392   2HG   PRO  47          1HG       PRO  47  -9.209  17.914  -0.560
  393   1HD   PRO  47          2HD       PRO  47  -7.665  17.006   1.434
  394   2HD   PRO  47          1HD       PRO  47  -7.969  16.024  -0.017
  395    H    GLY  48           H        GLY  48  -4.599  18.066  -3.409
  396   1HA   GLY  48          2HA       GLY  48  -3.299  19.923  -4.049
  397   2HA   GLY  48          1HA       GLY  48  -3.333  20.494  -2.392
  398    H    VAL  49           H        VAL  49  -2.568  17.361  -2.019
  399    HA   VAL  49           HA       VAL  49   0.317  17.896  -2.319
  400    HB   VAL  49           HB       VAL  49  -0.408  15.951  -0.253
  401   1HG1  VAL  49          1HG1      VAL  49   1.871  16.778  -0.668
  402   2HG1  VAL  49          2HG1      VAL  49   1.327  17.112   0.976
  403   3HG1  VAL  49          3HG1      VAL  49   1.347  18.404  -0.226
  404   1HG2  VAL  49          1HG2      VAL  49  -2.228  17.739  -0.136
  405   2HG2  VAL  49          2HG2      VAL  49  -0.945  18.844   0.364
  406   3HG2  VAL  49          3HG2      VAL  49  -1.313  17.421   1.339
  407    H    VAL  50           H        VAL  50   1.615  16.347  -3.161
  408    HA   VAL  50           HA       VAL  50   0.297  13.945  -4.217
  409    HB   VAL  50           HB       VAL  50   1.467  15.094  -5.936
  410   1HG1  VAL  50          1HG1      VAL  50   2.839  16.562  -4.618
  411   2HG1  VAL  50          2HG1      VAL  50   3.861  15.689  -5.760
  412   3HG1  VAL  50          3HG1      VAL  50   3.823  15.208  -4.064
  413   1HG2  VAL  50          1HG2      VAL  50   3.493  13.508  -6.335
  414   2HG2  VAL  50          2HG2      VAL  50   1.853  12.857  -6.339
  415   3HG2  VAL  50          3HG2      VAL  50   2.874  12.667  -4.913
  416    H    TYR  51           H        TYR  51   0.583  12.033  -3.169
  417    HA   TYR  51           HA       TYR  51   2.871  11.851  -1.321
  418   1HB   TYR  51          2HB       TYR  51   0.114  10.656  -1.233
  419   2HB   TYR  51          1HB       TYR  51   1.434   9.961  -0.300
  420    HD1  TYR  51           1HD      TYR  51   1.976  10.833   1.799
  421    HD2  TYR  51           2HD      TYR  51  -0.410  13.140  -0.861
  422    HE1  TYR  51           1HE      TYR  51   1.570  12.465   3.591
  423    HE2  TYR  51           2HE      TYR  51  -0.823  14.781   0.923
  424    HH   TYR  51           HH       TYR  51  -0.614  14.343   3.912
  425    H    GLU  52           H        GLU  52   4.334  10.267  -1.563
  426    HA   GLU  52           HA       GLU  52   3.982   8.468  -3.844
  427   1HB   GLU  52          2HB       GLU  52   6.049   9.404  -4.153
  428   2HB   GLU  52          1HB       GLU  52   6.310   9.656  -2.434
  429   1HG   GLU  52          2HG       GLU  52   7.444   7.757  -2.221
  430   2HG   GLU  52          1HG       GLU  52   6.260   6.843  -3.155
  431    H    GLY  53           H        GLY  53   3.639   6.349  -3.580
  432   1HA   GLY  53          2HA       GLY  53   4.073   5.210  -0.889
  433   2HA   GLY  53          1HA       GLY  53   2.650   4.831  -1.847
  434    H    GLN  54           H        GLN  54   4.665   3.030  -0.731
  435    HA   GLN  54           HA       GLN  54   5.476   1.753  -3.260
  436   1HB   GLN  54          2HB       GLN  54   7.503   2.675  -2.439
  437   2HB   GLN  54          1HB       GLN  54   7.153   2.170  -0.793
  438   1HG   GLN  54          2HG       GLN  54   7.419  -0.172  -1.465
  439   2HG   GLN  54          1HG       GLN  54   7.801   0.353  -3.104
  440   1HE2  GLN  54          1HE2      GLN  54   9.877  -0.109  -3.369
  441   2HE2  GLN  54          2HE2      GLN  54  11.157   0.375  -2.314
  442    H    LEU  55           H        LEU  55   5.376  -0.466  -3.331
  443    HA   LEU  55           HA       LEU  55   4.233  -1.816  -0.974
  444   1HB   LEU  55          2HB       LEU  55   3.158  -1.533  -3.625
  445   2HB   LEU  55          1HB       LEU  55   3.488  -3.225  -3.305
  446    HG   LEU  55           HG       LEU  55   2.094  -3.109  -1.277
  447   1HD1  LEU  55          1HD1      LEU  55   0.724  -0.657  -1.907
  448   2HD1  LEU  55          2HD1      LEU  55   2.425  -0.357  -1.554
  449   3HD1  LEU  55          3HD1      LEU  55   1.415  -1.201  -0.379
  450   1HD2  LEU  55          1HD2      LEU  55   1.078  -3.861  -3.328
  451   2HD2  LEU  55          2HD2      LEU  55   0.779  -2.198  -3.832
  452   3HD2  LEU  55          3HD2      LEU  55  -0.076  -2.865  -2.442
  453    H    ILE  56           H        ILE  56   5.838  -3.052  -0.196
  454    HA   ILE  56           HA       ILE  56   7.456  -4.592  -2.115
  455    HB   ILE  56           HB       ILE  56   8.162  -3.605   0.649
  456   1HG1  ILE  56          2HG1      ILE  56   9.433  -3.104  -2.049
  457   2HG1  ILE  56          1HG1      ILE  56   8.359  -1.991  -1.222
  458   1HG2  ILE  56          1HG2      ILE  56  10.451  -4.666  -0.140
  459   2HG2  ILE  56          2HG2      ILE  56   9.368  -5.739  -1.025
  460   3HG2  ILE  56          3HG2      ILE  56   9.242  -5.611   0.729
  461   1HD1  ILE  56          1HD1      ILE  56  10.006  -1.188   0.029
  462   2HD1  ILE  56          2HD1      ILE  56  11.101  -2.039  -1.059
  463   3HD1  ILE  56          3HD1      ILE  56  10.583  -2.802   0.444
  464    H    SER  57           H        SER  57   6.960  -6.693  -2.196
  465    HA   SER  57           HA       SER  57   5.438  -7.921  -0.072
  466   1HB   SER  57          2HB       SER  57   6.564  -9.444  -2.399
  467   2HB   SER  57          1HB       SER  57   5.064  -9.714  -1.510
  468    HG   SER  57           HG       SER  57   4.171  -8.606  -3.045
  469    H    ILE  58           H        ILE  58   6.085  -9.403   1.329
  470    HA   ILE  58           HA       ILE  58   8.941 -10.091   1.393
  471    HB   ILE  58           HB       ILE  58   7.099  -9.277   3.601
  472   1HG1  ILE  58          2HG1      ILE  58   9.903  -8.628   2.708
  473   2HG1  ILE  58          1HG1      ILE  58   8.506  -7.563   2.760
  474   1HG2  ILE  58          1HG2      ILE  58   8.614 -10.210   5.262
  475   2HG2  ILE  58          2HG2      ILE  58   9.583 -10.943   3.985
  476   3HG2  ILE  58          3HG2      ILE  58   7.928 -11.487   4.259
  477   1HD1  ILE  58          1HD1      ILE  58   8.819  -8.357   5.386
  478   2HD1  ILE  58          2HD1      ILE  58   9.307  -6.813   4.686
  479   3HD1  ILE  58          3HD1      ILE  58  10.468  -8.136   4.801
  480    H    GLN  59           H        GLN  59   9.503 -12.176   1.527
  481    HA   GLN  59           HA       GLN  59   7.367 -14.173   1.632
  482   1HB   GLN  59          2HB       GLN  59   9.716 -13.960   0.111
  483   2HB   GLN  59          1HB       GLN  59  10.024 -15.262   1.250
  484   1HG   GLN  59          2HG       GLN  59   8.137 -15.125  -1.015
  485   2HG   GLN  59          1HG       GLN  59   9.090 -16.477  -0.408
  486   1HE2  GLN  59          1HE2      GLN  59   6.103 -14.747  -0.195
  487   2HE2  GLN  59          2HE2      GLN  59   5.271 -15.884   0.806
  488    H    GLN  60           H        GLN  60   8.449 -16.367   2.622
  489    HA   GLN  60           HA       GLN  60   8.436 -15.979   5.404
  490   1HB   GLN  60          2HB       GLN  60   9.174 -18.364   5.514
  491   2HB   GLN  60          1HB       GLN  60   7.765 -18.101   4.497
  492   1HG   GLN  60          2HG       GLN  60   8.812 -19.210   2.897
  493   2HG   GLN  60          1HG       GLN  60   9.939 -17.859   2.779
  494   1HE2  GLN  60          1HE2      GLN  60  11.790 -18.926   2.372
  495   2HE2  GLN  60          2HE2      GLN  60  12.508 -20.082   3.436
  496    H    TYR  61           H        TYR  61  11.013 -16.054   3.061
  497    HA   TYR  61           HA       TYR  61  13.017 -15.928   5.201
  498   1HB   TYR  61          2HB       TYR  61  14.668 -16.494   3.543
  499   2HB   TYR  61          1HB       TYR  61  13.323 -17.618   3.385
  500    HD1  TYR  61           1HD      TYR  61  11.717 -17.350   1.488
  501    HD2  TYR  61           2HD      TYR  61  15.300 -15.070   1.750
  502    HE1  TYR  61           1HE      TYR  61  11.539 -16.806  -0.903
  503    HE2  TYR  61           2HE      TYR  61  15.130 -14.518  -0.641
  504    HH   TYR  61           HH       TYR  61  13.344 -14.378  -2.378
  505    H    GLY  62           H        GLY  62  11.180 -13.872   3.430
  506   1HA   GLY  62          2HA       GLY  62  11.376 -11.517   3.576
  507   2HA   GLY  62          1HA       GLY  62  13.107 -11.700   3.811
  508    H    HIS  63           H        HIS  63  11.811  -9.905   1.991
  509    HA   HIS  63           HA       HIS  63  12.099  -9.101  -0.115
  510   1HB   HIS  63          2HB       HIS  63  14.424  -9.638   0.043
  511   2HB   HIS  63          1HB       HIS  63  14.113 -11.349  -0.217
  512    HD2  HIS  63           2HD      HIS  63  14.429 -12.150  -2.754
  513    HE1  HIS  63           1HE      HIS  63  14.230  -8.325  -4.554
  514    HE2  HIS  63           2HE      HIS  63  14.795 -10.769  -4.919
  515    H    GLN  64           H        GLN  64  10.696  -9.231  -1.744
  516    HA   GLN  64           HA       GLN  64  10.171 -11.738  -3.077
  517   1HB   GLN  64          2HB       GLN  64   8.313 -10.618  -1.106
  518   2HB   GLN  64          1HB       GLN  64   7.578 -10.977  -2.661
  519   1HG   GLN  64          2HG       GLN  64   8.927 -12.835  -0.750
  520   2HG   GLN  64          1HG       GLN  64   7.283 -12.901  -1.382
  521   1HE2  GLN  64          1HE2      GLN  64  10.543 -13.804  -1.852
  522   2HE2  GLN  64          2HE2      GLN  64  10.330 -14.676  -3.328
  523    H    GLU  65           H        GLU  65   8.764  -8.499  -2.630
  524    HA   GLU  65           HA       GLU  65   9.131  -7.970  -5.481
  525   1HB   GLU  65          2HB       GLU  65   6.744  -8.911  -4.678
  526   2HB   GLU  65          1HB       GLU  65   6.496  -7.202  -4.347
  527   1HG   GLU  65          2HG       GLU  65   6.622  -6.611  -6.567
  528   2HG   GLU  65          1HG       GLU  65   7.558  -8.041  -7.006
  529    H    VAL  66           H        VAL  66   9.370  -5.819  -5.992
  530    HA   VAL  66           HA       VAL  66   9.041  -3.862  -3.830
  531    HB   VAL  66           HB       VAL  66  11.492  -4.003  -5.594
  532   1HG1  VAL  66          1HG1      VAL  66  11.998  -1.925  -4.934
  533   2HG1  VAL  66          2HG1      VAL  66  11.574  -2.273  -3.256
  534   3HG1  VAL  66          3HG1      VAL  66  10.320  -1.800  -4.403
  535   1HG2  VAL  66          1HG2      VAL  66  11.525  -4.282  -2.618
  536   2HG2  VAL  66          2HG2      VAL  66  12.703  -4.835  -3.810
  537   3HG2  VAL  66          3HG2      VAL  66  11.168  -5.684  -3.628
  538    H    THR  67           H        THR  67   7.667  -2.379  -4.536
  539    HA   THR  67           HA       THR  67   7.940  -1.408  -7.291
  540    HB   THR  67           HB       THR  67   5.543  -2.658  -6.057
  541    HG1  THR  67           1HG      THR  67   7.022  -2.828  -8.315
  542   1HG2  THR  67          1HG2      THR  67   5.354  -0.283  -7.920
  543   2HG2  THR  67          2HG2      THR  67   4.729  -0.383  -6.273
  544   3HG2  THR  67          3HG2      THR  67   4.023  -1.379  -7.546
  545    H    ARG  68           H        ARG  68   8.195   0.708  -7.318
  546    HA   ARG  68           HA       ARG  68   7.179   2.306  -5.062
  547   1HB   ARG  68          2HB       ARG  68   9.358   3.055  -7.019
  548   2HB   ARG  68          1HB       ARG  68   8.914   3.916  -5.552
  549   1HG   ARG  68          2HG       ARG  68   9.503   1.569  -4.459
  550   2HG   ARG  68          1HG       ARG  68  10.516   1.452  -5.900
  551   1HD   ARG  68          2HD       ARG  68  10.861   4.050  -4.860
  552   2HD   ARG  68          1HD       ARG  68  10.958   2.938  -3.495
  553    HE   ARG  68           HE       ARG  68  12.969   2.211  -4.294
  554   1HH1  ARG  68          1HH1      ARG  68  11.269   3.825  -6.873
  555   2HH1  ARG  68          2HH1      ARG  68  12.607   3.757  -7.971
  556   1HH2  ARG  68          1HH2      ARG  68  14.735   2.117  -5.732
  557   2HH2  ARG  68          2HH2      ARG  68  14.578   2.785  -7.322
  558    H    PHE  69           H        PHE  69   5.868   4.069  -5.449
  559    HA   PHE  69           HA       PHE  69   5.469   5.030  -8.144
  560   1HB   PHE  69          2HB       PHE  69   2.999   4.582  -8.090
  561   2HB   PHE  69          1HB       PHE  69   4.011   3.158  -8.293
  562    HD1  PHE  69           1HD      PHE  69   4.012   1.410  -6.697
  563    HD2  PHE  69           2HD      PHE  69   1.915   5.027  -5.905
  564    HE1  PHE  69           1HE      PHE  69   2.892   0.338  -4.786
  565    HE2  PHE  69           2HE      PHE  69   0.793   3.962  -3.993
  566    HZ   PHE  69           HZ       PHE  69   1.280   1.614  -3.431
  567    H    ASP  70           H        ASP  70   4.806   7.077  -8.228
  568    HA   ASP  70           HA       ASP  70   4.221   8.415  -5.693
  569   1HB   ASP  70          2HB       ASP  70   4.821  10.462  -6.782
  570   2HB   ASP  70          1HB       ASP  70   6.031   9.274  -7.258
  571    H    PHE  71           H        PHE  71   2.257   9.398  -5.309
  572    HA   PHE  71           HA       PHE  71   0.327   9.507  -7.494
  573   1HB   PHE  71          2HB       PHE  71  -1.406   8.386  -6.192
  574   2HB   PHE  71          1HB       PHE  71  -0.017   7.323  -6.411
  575    HD1  PHE  71           1HD      PHE  71   1.081   6.388  -4.582
  576    HD2  PHE  71           2HD      PHE  71  -1.698   9.555  -3.960
  577    HE1  PHE  71           1HE      PHE  71   1.171   5.987  -2.158
  578    HE2  PHE  71           2HE      PHE  71  -1.607   9.160  -1.532
  579    HZ   PHE  71           HZ       PHE  71  -0.172   7.374  -0.631
  580    H    THR  72           H        THR  72  -1.672  10.724  -6.805
  581    HA   THR  72           HA       THR  72  -0.771  12.973  -5.176
  582    HB   THR  72           HB       THR  72  -2.815  14.123  -6.163
  583    HG1  THR  72           1HG      THR  72  -2.740  11.775  -7.780
  584   1HG2  THR  72          1HG2      THR  72  -0.557  14.563  -6.960
  585   2HG2  THR  72          2HG2      THR  72  -1.691  14.546  -8.314
  586   3HG2  THR  72          3HG2      THR  72  -0.640  13.157  -8.023
  587    H    THR  73           H        THR  73  -2.477  14.074  -3.897
  588    HA   THR  73           HA       THR  73  -3.322  12.467  -1.855
  589    HB   THR  73           HB       THR  73  -5.086  14.461  -1.558
  590    HG1  THR  73           1HG      THR  73  -3.679  15.126  -3.751
  591   1HG2  THR  73          1HG2      THR  73  -2.457  13.814  -0.700
  592   2HG2  THR  73          2HG2      THR  73  -3.674  14.782   0.132
  593   3HG2  THR  73          3HG2      THR  73  -2.530  15.556  -0.965
  594    H    THR  74           H        THR  74  -5.672  12.492  -1.073
  595    HA   THR  74           HA       THR  74  -7.198  11.029  -3.087
  596    HB   THR  74           HB       THR  74  -7.818   9.646  -1.439
  597    HG1  THR  74           1HG      THR  74  -8.124  11.503   0.617
  598   1HG2  THR  74          1HG2      THR  74  -5.366  10.306  -0.885
  599   2HG2  THR  74          2HG2      THR  74  -6.295   9.406   0.318
  600   3HG2  THR  74          3HG2      THR  74  -6.077  11.148   0.499
  601    H    SER  75           H        SER  75  -7.825  13.373  -0.468
  602    HA   SER  75           HA       SER  75  -9.437  14.953  -0.201
  603   1HB   SER  75          2HB       SER  75  -9.593  16.497  -1.928
  604   2HB   SER  75          1HB       SER  75  -8.100  15.655  -2.346
  605    HG   SER  75           HG       SER  75 -10.064  15.982  -3.930
  606    H    THR  76           H        THR  76 -10.248  12.105  -0.791
  607    HA   THR  76           HA       THR  76 -13.077  12.619  -0.930
  608    HB   THR  76           HB       THR  76 -12.732  12.482  -3.293
  609    HG1  THR  76           1HG      THR  76 -14.109  10.797  -3.719
  610   1HG2  THR  76          1HG2      THR  76 -11.768   9.873  -3.748
  611   2HG2  THR  76          2HG2      THR  76 -10.678  10.614  -2.576
  612   3HG2  THR  76          3HG2      THR  76 -10.972  11.401  -4.127
  613    H    SER  77           H        SER  77 -12.365  11.791   1.262
  614    HA   SER  77           HA       SER  77 -11.583   9.124   1.659
  615   1HB   SER  77          2HB       SER  77 -13.281  10.682   3.600
  616   2HB   SER  77          1HB       SER  77 -12.044   9.475   3.950
  617    HG   SER  77           HG       SER  77 -11.461  11.925   2.660
  618    H    THR  78           H        THR  78 -13.184   7.719   3.179
  619    HA   THR  78           HA       THR  78 -15.381   7.090   1.413
  620    HB   THR  78           HB       THR  78 -13.910   5.260   2.067
  621    HG1  THR  78           1HG      THR  78 -16.494   5.224   1.996
  622   1HG2  THR  78          1HG2      THR  78 -13.268   5.900   4.292
  623   2HG2  THR  78          2HG2      THR  78 -14.101   4.347   4.384
  624   3HG2  THR  78          3HG2      THR  78 -14.942   5.826   4.847
  625    HA   PRO  79           HA       PRO  79 -17.772   7.871   5.492
  626   1HB   PRO  79          2HB       PRO  79 -16.772   9.690   7.193
  627   2HB   PRO  79          1HB       PRO  79 -16.278   7.994   7.246
  628   1HG   PRO  79          2HG       PRO  79 -14.851  10.348   6.095
  629   2HG   PRO  79          1HG       PRO  79 -14.196   8.963   6.983
  630   1HD   PRO  79          2HD       PRO  79 -14.164   9.236   4.223
  631   2HD   PRO  79          1HD       PRO  79 -14.022   7.699   5.086
  632    H    GLY  80           H        GLY  80 -18.507  10.222   6.652
  633   1HA   GLY  80          2HA       GLY  80 -18.684  12.620   5.921
  634   2HA   GLY  80          1HA       GLY  80 -19.003  11.970   4.320
  635    H    SER  81           H        SER  81 -20.466   9.787   6.116
  636    HA   SER  81           HA       SER  81 -22.902  11.320   6.657
  637   1HB   SER  81          2HB       SER  81 -23.919   9.013   5.549
  638   2HB   SER  81          1HB       SER  81 -23.805  10.571   4.729
  639    HG   SER  81           HG       SER  81 -21.821   8.539   4.688
  640    H    ARG  82           H        ARG  82 -24.620   9.619   7.546
  641    HA   ARG  82           HA       ARG  82 -23.229   8.177   9.695
  642   1HB   ARG  82          2HB       ARG  82 -25.669   9.778   9.551
  643   2HB   ARG  82          1HB       ARG  82 -25.909   8.240  10.368
  644   1HG   ARG  82          2HG       ARG  82 -25.233   9.365  12.179
  645   2HG   ARG  82          1HG       ARG  82 -23.614   9.080  11.533
  646   1HD   ARG  82          2HD       ARG  82 -23.331  11.239  10.930
  647   2HD   ARG  82          1HD       ARG  82 -25.022  11.444  10.476
  648    HE   ARG  82           HE       ARG  82 -23.847  11.876  13.098
  649   1HH1  ARG  82          1HH1      ARG  82 -26.740  11.593  11.175
  650   2HH1  ARG  82          2HH1      ARG  82 -27.739  12.416  12.326
  651   1HH2  ARG  82          1HH2      ARG  82 -25.154  12.959  14.618
  652   2HH2  ARG  82          2HH2      ARG  82 -26.837  13.195  14.284
  653    H    SER  83           H        SER  83 -23.047   6.060   9.413
  654    HA   SER  83           HA       SER  83 -25.316   4.598   8.248
  655   1HB   SER  83          2HB       SER  83 -22.902   4.952   6.950
  656   2HB   SER  83          1HB       SER  83 -22.719   3.368   7.705
  657    HG   SER  83           HG       SER  83 -24.175   4.060   5.554
  658    H    HIS  84           H        HIS  84 -24.328   5.105  11.019
  659    HA   HIS  84           HA       HIS  84 -24.219   3.986  12.991
  660   1HB   HIS  84          2HB       HIS  84 -24.920   1.518  11.389
  661   2HB   HIS  84          1HB       HIS  84 -25.091   1.727  13.129
  662    HD2  HIS  84           2HD      HIS  84 -27.654   1.096  11.098
  663    HE1  HIS  84           1HE      HIS  84 -28.723   5.049  12.166
  664    HE2  HIS  84           2HE      HIS  84 -29.587   2.805  11.360
  665    H    HIS  85           H        HIS  85 -22.844   2.621  14.243
  666    HA   HIS  85           HA       HIS  85 -20.808   1.025  13.044
  667   1HB   HIS  85          2HB       HIS  85 -20.282   3.769  13.062
  668   2HB   HIS  85          1HB       HIS  85 -19.389   3.139  14.442
  669    HD2  HIS  85           2HD      HIS  85 -17.847   4.213  11.747
  670    HE1  HIS  85           1HE      HIS  85 -17.053   0.094  11.185
  671    HE2  HIS  85           2HE      HIS  85 -16.270   2.453  10.681
  672    H    HIS  86           H        HIS  86 -19.170   0.324  14.719
  673    HA   HIS  86           HA       HIS  86 -20.504  -0.594  17.022
  674   1HB   HIS  86          2HB       HIS  86 -18.382  -1.534  17.685
  675   2HB   HIS  86          1HB       HIS  86 -18.561  -1.728  15.944
  676    HD2  HIS  86           2HD      HIS  86 -17.214   0.622  14.575
  677    HE1  HIS  86           1HE      HIS  86 -14.156   0.444  17.496
  678    HE2  HIS  86           2HE      HIS  86 -14.874   1.477  15.294
  679    H    HIS  87           H        HIS  87 -19.961  -0.166  19.266
  680    HA   HIS  87           HA       HIS  87 -18.562   2.264  19.924
  681   1HB   HIS  87          2HB       HIS  87 -21.165   2.638  19.242
  682   2HB   HIS  87          1HB       HIS  87 -21.320   2.345  20.970
  683    HD2  HIS  87           2HD      HIS  87 -19.173   4.061  22.355
  684    HE1  HIS  87           1HE      HIS  87 -20.191   7.181  19.682
  685    HE2  HIS  87           2HE      HIS  87 -19.195   6.622  21.946
  686    H    HIS  88           H        HIS  88 -18.112   2.469  22.130
  687    HA   HIS  88           HA       HIS  88 -18.344  -0.023  23.612
  688   1HB   HIS  88          2HB       HIS  88 -16.385   1.980  23.418
  689   2HB   HIS  88          1HB       HIS  88 -17.020   2.102  25.055
  690    HD2  HIS  88           2HD      HIS  88 -15.880   0.409  26.782
  691    HE1  HIS  88           1HE      HIS  88 -14.357  -2.329  23.937
  692    HE2  HIS  88           2HE      HIS  88 -14.607  -1.821  26.409
  693    H    HIS  89           H        HIS  89 -19.459  -0.302  25.488
  694    HA   HIS  89           HA       HIS  89 -21.090   0.013  27.042
  695   1HB   HIS  89          2HB       HIS  89 -19.252   2.091  27.359
  696   2HB   HIS  89          1HB       HIS  89 -20.823   2.884  27.385
  697    HD2  HIS  89           2HD      HIS  89 -18.742   2.266  30.029
  698    HE1  HIS  89           1HE      HIS  89 -22.158   0.100  31.276
  699    HE2  HIS  89           2HE      HIS  89 -20.054   1.290  32.042
  Start of MODEL   22
    1   1H    MET   1          1HT       MET   1 -13.161 -12.643  -7.179
    2   2H    MET   1          2HT       MET   1 -11.669 -12.092  -6.603
    3   3H    MET   1          3HT       MET   1 -11.925 -13.748  -6.834
    4    HA   MET   1           HA       MET   1 -11.493 -11.635  -8.831
    5   1HB   MET   1          2HB       MET   1 -10.474 -14.474  -8.673
    6   2HB   MET   1          1HB       MET   1  -9.838 -13.161  -9.654
    7   1HG   MET   1          2HG       MET   1  -9.105 -11.996  -7.653
    8   2HG   MET   1          1HG       MET   1  -9.784 -13.273  -6.647
    9   1HE   MET   1          1HE       MET   1  -6.746 -15.147  -5.922
   10   2HE   MET   1          2HE       MET   1  -8.439 -15.597  -6.116
   11   3HE   MET   1          3HE       MET   1  -8.016 -14.067  -5.350
   12    H    ARG   2           H        ARG   2 -11.250 -13.266 -11.035
   13    HA   ARG   2           HA       ARG   2 -14.059 -13.887 -11.575
   14   1HB   ARG   2          2HB       ARG   2 -12.886 -14.072 -14.002
   15   2HB   ARG   2          1HB       ARG   2 -13.521 -12.574 -13.338
   16   1HG   ARG   2          2HG       ARG   2 -11.493 -11.651 -13.158
   17   2HG   ARG   2          1HG       ARG   2 -10.757 -13.143 -12.568
   18   1HD   ARG   2          2HD       ARG   2 -10.892 -13.999 -14.941
   19   2HD   ARG   2          1HD       ARG   2 -11.322 -12.356 -15.418
   20    HE   ARG   2           HE       ARG   2  -8.880 -12.614 -13.883
   21   1HH1  ARG   2          1HH1      ARG   2 -10.342 -12.439 -17.042
   22   2HH1  ARG   2          2HH1      ARG   2  -8.881 -11.948 -17.831
   23   1HH2  ARG   2          1HH2      ARG   2  -6.954 -11.967 -14.914
   24   2HH2  ARG   2          2HH2      ARG   2  -6.956 -11.680 -16.623
   25    H    GLY   3           H        GLY   3 -14.162 -15.927 -10.595
   26   1HA   GLY   3          2HA       GLY   3 -14.183 -18.185 -11.869
   27   2HA   GLY   3          1HA       GLY   3 -12.439 -18.021 -11.729
   28    H    SER   4           H        SER   4 -13.281 -20.240 -10.684
   29    HA   SER   4           HA       SER   4 -13.736 -19.779  -7.818
   30   1HB   SER   4          2HB       SER   4 -15.394 -21.247  -8.717
   31   2HB   SER   4          1HB       SER   4 -14.180 -22.209  -9.560
   32    HG   SER   4           HG       SER   4 -13.544 -22.191  -6.992
   33    H    ASN   5           H        ASN   5 -12.230 -22.548  -9.428
   34    HA   ASN   5           HA       ASN   5 -10.274 -23.647  -9.050
   35   1HB   ASN   5          2HB       ASN   5  -9.626 -20.836  -9.316
   36   2HB   ASN   5          1HB       ASN   5  -8.469 -21.655  -8.271
   37   1HD2  ASN   5          1HD2      ASN   5  -9.344 -20.982 -11.425
   38   2HD2  ASN   5          2HD2      ASN   5  -8.311 -22.110 -12.230
   39    H    ALA   6           H        ALA   6  -8.143 -23.029  -7.264
   40    HA   ALA   6           HA       ALA   6  -9.061 -24.251  -4.915
   41   1HB   ALA   6          1HB       ALA   6  -6.864 -23.868  -4.021
   42   2HB   ALA   6          2HB       ALA   6  -6.550 -22.609  -5.215
   43   3HB   ALA   6          3HB       ALA   6  -6.714 -24.289  -5.728
   44    HA   PRO   7           HA       PRO   7 -11.131 -20.676  -3.124
   45   1HB   PRO   7          2HB       PRO   7 -11.154 -22.494  -0.771
   46   2HB   PRO   7          1HB       PRO   7 -12.487 -21.619  -1.532
   47   1HG   PRO   7          2HG       PRO   7 -12.223 -24.246  -1.866
   48   2HG   PRO   7          1HG       PRO   7 -12.748 -23.206  -3.204
   49   1HD   PRO   7          2HD       PRO   7 -10.069 -24.435  -2.696
   50   2HD   PRO   7          1HD       PRO   7 -10.939 -24.218  -4.230
   51    H    GLN   8           H        GLN   8  -8.302 -22.317  -2.007
   52    HA   GLN   8           HA       GLN   8  -7.673 -20.067  -0.213
   53   1HB   GLN   8          2HB       GLN   8  -7.669 -22.738   0.382
   54   2HB   GLN   8          1HB       GLN   8  -5.983 -22.465  -0.035
   55   1HG   GLN   8          2HG       GLN   8  -6.099 -20.487   1.584
   56   2HG   GLN   8          1HG       GLN   8  -7.596 -21.222   2.160
   57   1HE2  GLN   8          1HE2      GLN   8  -7.293 -23.707   2.491
   58   2HE2  GLN   8          2HE2      GLN   8  -5.909 -24.142   3.429
   59    HA   PRO   9           HA       PRO   9  -4.743 -19.360  -3.626
   60   1HB   PRO   9          2HB       PRO   9  -4.456 -16.717  -3.231
   61   2HB   PRO   9          1HB       PRO   9  -5.885 -17.390  -4.028
   62   1HG   PRO   9          2HG       PRO   9  -5.544 -16.505  -1.185
   63   2HG   PRO   9          1HG       PRO   9  -6.890 -16.194  -2.299
   64   1HD   PRO   9          2HD       PRO   9  -6.949 -18.140  -0.392
   65   2HD   PRO   9          1HD       PRO   9  -7.836 -18.254  -1.926
   66    H    SER  10           H        SER  10  -2.524 -18.601  -3.685
   67    HA   SER  10           HA       SER  10  -1.148 -19.131  -1.182
   68   1HB   SER  10          2HB       SER  10   0.837 -18.631  -2.993
   69   2HB   SER  10          1HB       SER  10   0.114 -20.217  -2.721
   70    HG   SER  10           HG       SER  10  -0.353 -20.075  -4.767
   71    H    HIS  11           H        HIS  11  -1.782 -17.184  -0.094
   72    HA   HIS  11           HA       HIS  11  -1.028 -14.619  -1.104
   73   1HB   HIS  11          2HB       HIS  11  -1.566 -13.875   1.257
   74   2HB   HIS  11          1HB       HIS  11  -2.876 -14.669   0.389
   75    HD2  HIS  11           2HD      HIS  11  -4.146 -16.400   1.958
   76    HE1  HIS  11           1HE      HIS  11  -0.860 -17.478   4.398
   77    HE2  HIS  11           2HE      HIS  11  -3.290 -17.952   3.853
   78    H    ILE  12           H        ILE  12   0.394 -13.145   0.170
   79    HA   ILE  12           HA       ILE  12   2.974 -14.425   0.576
   80    HB   ILE  12           HB       ILE  12   2.994 -12.447  -0.779
   81   1HG1  ILE  12          2HG1      ILE  12   4.219 -10.865   1.122
   82   2HG1  ILE  12          1HG1      ILE  12   4.345 -12.475   1.822
   83   1HG2  ILE  12          1HG2      ILE  12   2.317 -10.373   1.029
   84   2HG2  ILE  12          2HG2      ILE  12   1.008 -11.554   1.038
   85   3HG2  ILE  12          3HG2      ILE  12   1.523 -10.820  -0.481
   86   1HD1  ILE  12          1HD1      ILE  12   6.267 -11.714   0.382
   87   2HD1  ILE  12          2HD1      ILE  12   5.177 -11.877  -0.994
   88   3HD1  ILE  12          3HD1      ILE  12   5.570 -13.286  -0.010
   89    H    SER  13           H        SER  13   4.268 -14.102   2.444
   90    HA   SER  13           HA       SER  13   3.038 -14.495   4.889
   91   1HB   SER  13          2HB       SER  13   5.417 -14.991   4.470
   92   2HB   SER  13          1HB       SER  13   5.760 -13.263   4.387
   93    HG   SER  13           HG       SER  13   4.827 -13.221   6.596
   94    H    LYS  14           H        LYS  14   4.251 -11.479   3.455
   95    HA   LYS  14           HA       LYS  14   2.259  -9.891   4.659
   96   1HB   LYS  14          2HB       LYS  14   3.683  -8.596   6.223
   97   2HB   LYS  14          1HB       LYS  14   3.443 -10.263   6.725
   98   1HG   LYS  14          2HG       LYS  14   5.680 -10.744   5.596
   99   2HG   LYS  14          1HG       LYS  14   5.904  -8.994   5.578
  100   1HD   LYS  14          2HD       LYS  14   5.283  -9.190   8.113
  101   2HD   LYS  14          1HD       LYS  14   5.776 -10.871   7.896
  102   1HE   LYS  14          2HE       LYS  14   7.897  -9.877   6.818
  103   2HE   LYS  14          1HE       LYS  14   7.407  -8.374   7.597
  104   1HZ   LYS  14          1HZ       LYS  14   7.883  -9.170   9.642
  105   2HZ   LYS  14          2HZ       LYS  14   8.957 -10.149   8.776
  106   3HZ   LYS  14          3HZ       LYS  14   7.458 -10.764   9.264
  107    H    TYR  15           H        TYR  15   2.224  -7.825   3.864
  108    HA   TYR  15           HA       TYR  15   4.187  -7.185   1.779
  109   1HB   TYR  15          2HB       TYR  15   1.312  -6.883   2.034
  110   2HB   TYR  15          1HB       TYR  15   2.071  -5.338   1.676
  111    HD1  TYR  15           1HD      TYR  15   3.500  -5.140  -0.398
  112    HD2  TYR  15           2HD      TYR  15   1.030  -8.519   0.377
  113    HE1  TYR  15           1HE      TYR  15   3.610  -5.761  -2.776
  114    HE2  TYR  15           2HE      TYR  15   1.131  -9.147  -1.998
  115    HH   TYR  15           HH       TYR  15   2.033  -7.150  -4.392
  116    H    ILE  16           H        ILE  16   4.920  -4.933   1.608
  117    HA   ILE  16           HA       ILE  16   4.938  -3.603   4.234
  118    HB   ILE  16           HB       ILE  16   7.148  -4.397   2.693
  119   1HG1  ILE  16          2HG1      ILE  16   6.960  -4.130   5.166
  120   2HG1  ILE  16          1HG1      ILE  16   8.426  -3.417   4.499
  121   1HG2  ILE  16          1HG2      ILE  16   6.507  -1.504   2.276
  122   2HG2  ILE  16          2HG2      ILE  16   7.350  -2.645   1.227
  123   3HG2  ILE  16          3HG2      ILE  16   8.185  -1.940   2.606
  124   1HD1  ILE  16          1HD1      ILE  16   6.571  -1.347   4.479
  125   2HD1  ILE  16          2HD1      ILE  16   7.902  -1.572   5.615
  126   3HD1  ILE  16          3HD1      ILE  16   6.295  -2.188   6.005
  127    H    LEU  17           H        LEU  17   4.757  -1.408   4.336
  128    HA   LEU  17           HA       LEU  17   4.061  -0.054   1.836
  129   1HB   LEU  17          2HB       LEU  17   2.227  -0.660   3.787
  130   2HB   LEU  17          1HB       LEU  17   2.707   0.970   4.221
  131    HG   LEU  17           HG       LEU  17   2.268   1.463   1.676
  132   1HD1  LEU  17          1HD1      LEU  17   1.865  -0.967   1.194
  133   2HD1  LEU  17          2HD1      LEU  17   0.583   0.124   0.666
  134   3HD1  LEU  17          3HD1      LEU  17   0.376  -0.836   2.131
  135   1HD2  LEU  17          1HD2      LEU  17   1.045   2.266   3.788
  136   2HD2  LEU  17          2HD2      LEU  17  -0.149   1.029   3.400
  137   3HD2  LEU  17          3HD2      LEU  17   0.178   2.327   2.253
  138    H    ARG  18           H        ARG  18   5.646   1.304   1.527
  139    HA   ARG  18           HA       ARG  18   6.617   2.888   3.806
  140   1HB   ARG  18          2HB       ARG  18   8.230   2.107   1.371
  141   2HB   ARG  18          1HB       ARG  18   8.817   2.931   2.811
  142   1HG   ARG  18          2HG       ARG  18   8.760   1.002   4.092
  143   2HG   ARG  18          1HG       ARG  18   7.621   0.198   3.008
  144   1HD   ARG  18          2HD       ARG  18   9.390  -0.839   2.135
  145   2HD   ARG  18          1HD       ARG  18   9.796   0.708   1.391
  146    HE   ARG  18           HE       ARG  18  10.960  -0.368   3.867
  147   1HH1  ARG  18          1HH1      ARG  18  10.981   1.923   1.241
  148   2HH1  ARG  18          2HH1      ARG  18  12.549   2.549   1.629
  149   1HH2  ARG  18          1HH2      ARG  18  13.026   0.452   4.386
  150   2HH2  ARG  18          2HH2      ARG  18  13.710   1.713   3.415
  151    H    TRP  19           H        TRP  19   6.230   5.027   3.549
  152    HA   TRP  19           HA       TRP  19   6.338   6.172   0.921
  153   1HB   TRP  19          2HB       TRP  19   4.107   6.497   0.466
  154   2HB   TRP  19          1HB       TRP  19   4.075   4.918   1.238
  155    HD1  TRP  19           HD       TRP  19   2.962   8.469   1.661
  156    HE1  TRP  19           1HE      TRP  19   1.342   8.641   3.665
  157    HE3  TRP  19           3HE      TRP  19   3.552   3.775   3.540
  158    HZ2  TRP  19           2HZ      TRP  19   0.439   6.974   5.767
  159    HZ3  TRP  19           3HZ      TRP  19   2.278   3.128   5.544
  160    HH2  TRP  19           HH       TRP  19   0.754   4.695   6.633
  161    H    ARG  20           H        ARG  20   6.118   8.402   0.811
  162    HA   ARG  20           HA       ARG  20   5.656   9.979   3.158
  163   1HB   ARG  20          2HB       ARG  20   7.791  10.713   3.634
  164   2HB   ARG  20          1HB       ARG  20   8.118   9.043   3.197
  165   1HG   ARG  20          2HG       ARG  20   8.205  10.697   0.855
  166   2HG   ARG  20          1HG       ARG  20   9.258  11.356   2.110
  167   1HD   ARG  20          2HD       ARG  20  10.056   8.899   2.360
  168   2HD   ARG  20          1HD       ARG  20   9.359   8.691   0.754
  169    HE   ARG  20           HE       ARG  20  11.048   9.997  -0.131
  170   1HH1  ARG  20          1HH1      ARG  20  11.177  10.046   3.349
  171   2HH1  ARG  20          2HH1      ARG  20  12.745  10.779   3.410
  172   1HH2  ARG  20          1HH2      ARG  20  13.117  10.961  -0.060
  173   2HH2  ARG  20          2HH2      ARG  20  13.847  11.300   1.474
  174    HA   PRO  21           HA       PRO  21   4.578  13.100   0.220
  175   1HB   PRO  21          2HB       PRO  21   5.973  15.295   1.142
  176   2HB   PRO  21          1HB       PRO  21   4.408  14.757   1.762
  177   1HG   PRO  21          2HG       PRO  21   7.141  14.270   2.813
  178   2HG   PRO  21          1HG       PRO  21   5.648  14.625   3.707
  179   1HD   PRO  21          2HD       PRO  21   6.667  12.162   3.586
  180   2HD   PRO  21          1HD       PRO  21   4.914  12.436   3.542
  181    H    LYS  22           H        LYS  22   5.204  13.176  -1.737
  182    HA   LYS  22           HA       LYS  22   7.834  12.689  -2.604
  183   1HB   LYS  22          2HB       LYS  22   5.472  12.377  -3.714
  184   2HB   LYS  22          1HB       LYS  22   5.809  13.983  -4.369
  185   1HG   LYS  22          2HG       LYS  22   7.855  13.143  -5.386
  186   2HG   LYS  22          1HG       LYS  22   7.569  11.550  -4.679
  187   1HD   LYS  22          2HD       LYS  22   5.568  11.276  -5.987
  188   2HD   LYS  22          1HD       LYS  22   5.703  12.921  -6.610
  189   1HE   LYS  22          2HE       LYS  22   7.741  12.362  -7.770
  190   2HE   LYS  22          1HE       LYS  22   7.750  10.752  -7.050
  191   1HZ   LYS  22          1HZ       LYS  22   6.872  11.029  -9.425
  192   2HZ   LYS  22          2HZ       LYS  22   5.476  11.649  -8.699
  193   3HZ   LYS  22          3HZ       LYS  22   5.979  10.072  -8.352
  194    H    ASN  23           H        ASN  23   5.883  15.661  -2.484
  195    HA   ASN  23           HA       ASN  23   8.097  17.236  -3.514
  196   1HB   ASN  23          2HB       ASN  23   5.208  17.598  -3.189
  197   2HB   ASN  23          1HB       ASN  23   6.146  19.037  -2.807
  198   1HD2  ASN  23          1HD2      ASN  23   7.278  20.076  -4.412
  199   2HD2  ASN  23          2HD2      ASN  23   7.051  19.731  -6.090
  200    H    SER  24           H        SER  24   6.369  16.776  -0.473
  201    HA   SER  24           HA       SER  24   7.859  18.888   0.833
  202   1HB   SER  24          2HB       SER  24   5.657  17.035   1.626
  203   2HB   SER  24          1HB       SER  24   6.636  17.769   2.896
  204    HG   SER  24           HG       SER  24   4.717  18.884   1.323
  205    H    VAL  25           H        VAL  25   8.244  15.553   0.251
  206    HA   VAL  25           HA       VAL  25   9.508  13.897   1.243
  207    HB   VAL  25           HB       VAL  25  11.016  14.865  -0.347
  208   1HG1  VAL  25          1HG1      VAL  25  12.620  16.585   1.269
  209   2HG1  VAL  25          2HG1      VAL  25  10.943  17.127   1.334
  210   3HG1  VAL  25          3HG1      VAL  25  11.752  16.951  -0.222
  211   1HG2  VAL  25          1HG2      VAL  25  12.463  13.394   0.477
  212   2HG2  VAL  25          2HG2      VAL  25  11.914  13.686   2.127
  213   3HG2  VAL  25          3HG2      VAL  25  13.164  14.709   1.421
  214    H    GLY  26           H        GLY  26   8.645  13.670   3.312
  215   1HA   GLY  26          2HA       GLY  26  10.064  15.108   5.459
  216   2HA   GLY  26          1HA       GLY  26   8.466  14.395   5.614
  217    H    ARG  27           H        ARG  27   8.298  12.404   6.453
  218    HA   ARG  27           HA       ARG  27  10.780  10.845   6.763
  219   1HB   ARG  27          2HB       ARG  27   9.940  10.041   8.899
  220   2HB   ARG  27          1HB       ARG  27   9.992  11.799   8.892
  221   1HG   ARG  27          2HG       ARG  27   7.449  10.470   8.126
  222   2HG   ARG  27          1HG       ARG  27   7.916  10.476   9.828
  223   1HD   ARG  27          2HD       ARG  27   7.553  12.689  10.050
  224   2HD   ARG  27          1HD       ARG  27   8.187  13.057   8.447
  225    HE   ARG  27           HE       ARG  27   5.845  11.878   7.873
  226   1HH1  ARG  27          1HH1      ARG  27   6.684  14.435  10.088
  227   2HH1  ARG  27          2HH1      ARG  27   5.145  15.221   9.964
  228   1HH2  ARG  27          1HH2      ARG  27   3.818  12.905   7.707
  229   2HH2  ARG  27          2HH2      ARG  27   3.517  14.351   8.612
  230    H    TRP  28           H        TRP  28  10.604   8.562   6.747
  231    HA   TRP  28           HA       TRP  28   8.713   7.567   4.845
  232   1HB   TRP  28          2HB       TRP  28  10.995   6.403   6.396
  233   2HB   TRP  28          1HB       TRP  28   9.862   5.323   5.596
  234    HD1  TRP  28           HD       TRP  28  13.003   7.073   4.979
  235    HE1  TRP  28           1HE      TRP  28  13.555   7.138   2.467
  236    HE3  TRP  28           3HE      TRP  28   8.443   5.715   3.114
  237    HZ2  TRP  28           2HZ      TRP  28  12.229   6.675   0.016
  238    HZ3  TRP  28           3HZ      TRP  28   8.167   5.550   0.675
  239    HH2  TRP  28           HH       TRP  28  10.022   6.021  -0.842
  240    H    LYS  29           H        LYS  29   7.168   5.912   5.153
  241    HA   LYS  29           HA       LYS  29   6.275   5.543   7.941
  242   1HB   LYS  29          2HB       LYS  29   4.622   5.936   5.443
  243   2HB   LYS  29          1HB       LYS  29   3.952   5.346   6.957
  244   1HG   LYS  29          2HG       LYS  29   5.493   7.824   7.201
  245   2HG   LYS  29          1HG       LYS  29   4.044   7.951   6.202
  246   1HD   LYS  29          2HD       LYS  29   2.809   8.069   8.044
  247   2HD   LYS  29          1HD       LYS  29   3.346   6.447   8.489
  248   1HE   LYS  29          2HE       LYS  29   4.717   9.044   9.181
  249   2HE   LYS  29          1HE       LYS  29   3.801   8.019  10.284
  250   1HZ   LYS  29          1HZ       LYS  29   6.245   7.140   8.848
  251   2HZ   LYS  29          2HZ       LYS  29   5.422   6.302  10.065
  252   3HZ   LYS  29          3HZ       LYS  29   6.241   7.735  10.432
  253    H    GLU  30           H        GLU  30   5.713   3.446   8.536
  254    HA   GLU  30           HA       GLU  30   6.080   1.401   6.443
  255   1HB   GLU  30          2HB       GLU  30   6.681   0.688   9.258
  256   2HB   GLU  30          1HB       GLU  30   7.450   0.152   7.770
  257   1HG   GLU  30          2HG       GLU  30   9.137   1.484   8.302
  258   2HG   GLU  30          1HG       GLU  30   8.079   2.836   7.899
  259    H    ALA  31           H        ALA  31   4.516  -0.022   6.163
  260    HA   ALA  31           HA       ALA  31   2.668  -0.642   8.345
  261   1HB   ALA  31          1HB       ALA  31   0.879  -0.545   6.349
  262   2HB   ALA  31          2HB       ALA  31   1.963   0.745   5.831
  263   3HB   ALA  31          3HB       ALA  31   1.202   0.818   7.421
  264    H    THR  32           H        THR  32   2.743  -2.795   8.549
  265    HA   THR  32           HA       THR  32   3.335  -4.427   6.191
  266    HB   THR  32           HB       THR  32   3.104  -5.603   8.930
  267    HG1  THR  32           1HG      THR  32   5.089  -4.847   9.499
  268   1HG2  THR  32          1HG2      THR  32   4.501  -6.202   6.365
  269   2HG2  THR  32          2HG2      THR  32   3.606  -7.277   7.440
  270   3HG2  THR  32          3HG2      THR  32   5.234  -6.755   7.871
  271    H    ILE  33           H        ILE  33   1.730  -5.328   5.115
  272    HA   ILE  33           HA       ILE  33  -0.658  -6.209   6.592
  273    HB   ILE  33           HB       ILE  33  -1.517  -5.641   3.989
  274   1HG1  ILE  33          2HG1      ILE  33   0.607  -4.196   3.924
  275   2HG1  ILE  33          1HG1      ILE  33  -0.909  -3.421   3.484
  276   1HG2  ILE  33          1HG2      ILE  33  -3.000  -5.467   5.786
  277   2HG2  ILE  33          2HG2      ILE  33  -2.807  -3.813   5.206
  278   3HG2  ILE  33          3HG2      ILE  33  -1.956  -4.344   6.656
  279   1HD1  ILE  33          1HD1      ILE  33   0.914  -2.428   5.228
  280   2HD1  ILE  33          2HD1      ILE  33  -0.242  -3.196   6.316
  281   3HD1  ILE  33          3HD1      ILE  33  -0.789  -1.972   5.171
  282    HA   PRO  34           HA       PRO  34   0.716 -10.107   4.762
  283   1HB   PRO  34          2HB       PRO  34  -2.018 -10.845   5.696
  284   2HB   PRO  34          1HB       PRO  34  -0.481 -11.684   5.938
  285   1HG   PRO  34          2HG       PRO  34  -1.585 -10.299   7.920
  286   2HG   PRO  34          1HG       PRO  34   0.169 -10.271   7.662
  287   1HD   PRO  34          2HD       PRO  34  -1.877  -8.195   7.017
  288   2HD   PRO  34          1HD       PRO  34  -0.207  -7.997   7.586
  289    H    GLY  35           H        GLY  35  -0.409 -11.746   3.287
  290   1HA   GLY  35          2HA       GLY  35  -1.020 -10.704   0.859
  291   2HA   GLY  35          1HA       GLY  35  -1.617 -12.266   1.394
  292    H    HIS  36           H        HIS  36  -2.358  -8.954   0.818
  293    HA   HIS  36           HA       HIS  36  -4.302  -7.723   1.262
  294   1HB   HIS  36          2HB       HIS  36  -6.044  -8.684  -0.439
  295   2HB   HIS  36          1HB       HIS  36  -4.521  -8.015  -1.010
  296    HD2  HIS  36           2HD      HIS  36  -5.801 -11.651  -0.101
  297    HE1  HIS  36           1HE      HIS  36  -3.248 -11.771  -3.474
  298    HE2  HIS  36           2HE      HIS  36  -4.596 -13.158  -1.834
  299    H    LEU  37           H        LEU  37  -4.599  -8.501   3.523
  300    HA   LEU  37           HA       LEU  37  -6.444 -10.600   4.062
  301   1HB   LEU  37          2HB       LEU  37  -6.617  -9.066   6.292
  302   2HB   LEU  37          1HB       LEU  37  -5.392 -10.285   6.019
  303    HG   LEU  37           HG       LEU  37  -3.801  -8.583   5.315
  304   1HD1  LEU  37          1HD1      LEU  37  -4.387  -6.183   5.550
  305   2HD1  LEU  37          2HD1      LEU  37  -6.073  -6.654   5.763
  306   3HD1  LEU  37          3HD1      LEU  37  -5.250  -6.992   4.242
  307   1HD2  LEU  37          1HD2      LEU  37  -5.219  -8.093   7.918
  308   2HD2  LEU  37          2HD2      LEU  37  -3.720  -7.276   7.479
  309   3HD2  LEU  37          3HD2      LEU  37  -3.755  -9.033   7.628
  310    H    ASN  38           H        ASN  38  -6.729  -7.206   3.389
  311    HA   ASN  38           HA       ASN  38  -9.461  -7.366   2.742
  312   1HB   ASN  38          2HB       ASN  38 -10.477  -6.090   4.523
  313   2HB   ASN  38          1HB       ASN  38  -9.668  -7.484   5.231
  314   1HD2  ASN  38          1HD2      ASN  38  -9.666  -4.038   4.882
  315   2HD2  ASN  38          2HD2      ASN  38  -8.495  -3.707   6.107
  316    H    SER  39           H        SER  39 -10.234  -4.715   3.227
  317    HA   SER  39           HA       SER  39  -8.500  -3.353   1.325
  318   1HB   SER  39          2HB       SER  39 -11.089  -2.306   2.471
  319   2HB   SER  39          1HB       SER  39 -10.302  -1.844   0.962
  320    HG   SER  39           HG       SER  39 -11.297  -3.425   0.019
  321    H    TYR  40           H        TYR  40  -6.784  -2.388   2.229
  322    HA   TYR  40           HA       TYR  40  -7.244  -0.726   4.618
  323   1HB   TYR  40          2HB       TYR  40  -5.731  -2.498   5.198
  324   2HB   TYR  40          1HB       TYR  40  -4.763  -2.220   3.752
  325    HD1  TYR  40           1HD      TYR  40  -5.875  -0.507   6.876
  326    HD2  TYR  40           2HD      TYR  40  -2.861  -0.886   3.894
  327    HE1  TYR  40           1HE      TYR  40  -4.435   1.030   8.144
  328    HE2  TYR  40           2HE      TYR  40  -1.414   0.651   5.156
  329    HH   TYR  40           HH       TYR  40  -1.597   1.312   8.146
  330    H    THR  41           H        THR  41  -7.332   1.351   4.096
  331    HA   THR  41           HA       THR  41  -5.400   2.381   2.127
  332    HB   THR  41           HB       THR  41  -7.038   3.948   1.272
  333    HG1  THR  41           1HG      THR  41  -9.326   3.052   2.219
  334   1HG2  THR  41          1HG2      THR  41  -7.204   1.125   0.971
  335   2HG2  THR  41          2HG2      THR  41  -7.616   2.380  -0.198
  336   3HG2  THR  41          3HG2      THR  41  -8.840   1.779   0.919
  337    H    ILE  42           H        ILE  42  -4.561   4.431   2.516
  338    HA   ILE  42           HA       ILE  42  -4.594   5.250   5.286
  339    HB   ILE  42           HB       ILE  42  -3.210   6.748   3.077
  340   1HG1  ILE  42          2HG1      ILE  42  -1.552   4.767   4.426
  341   2HG1  ILE  42          1HG1      ILE  42  -2.858   4.023   3.508
  342   1HG2  ILE  42          1HG2      ILE  42  -2.119   7.801   4.719
  343   2HG2  ILE  42          2HG2      ILE  42  -1.854   6.310   5.623
  344   3HG2  ILE  42          3HG2      ILE  42  -3.384   7.174   5.776
  345   1HD1  ILE  42          1HD1      ILE  42  -0.410   4.888   2.538
  346   2HD1  ILE  42          2HD1      ILE  42  -1.567   6.097   1.981
  347   3HD1  ILE  42          3HD1      ILE  42  -1.814   4.395   1.592
  348    H    LYS  43           H        LYS  43  -5.777   6.856   6.137
  349    HA   LYS  43           HA       LYS  43  -7.100   8.727   4.285
  350   1HB   LYS  43          2HB       LYS  43  -8.269   7.661   6.856
  351   2HB   LYS  43          1HB       LYS  43  -9.070   8.696   5.679
  352   1HG   LYS  43          2HG       LYS  43  -9.774   6.926   4.558
  353   2HG   LYS  43          1HG       LYS  43  -8.109   6.373   4.352
  354   1HD   LYS  43          2HD       LYS  43  -8.342   4.784   5.911
  355   2HD   LYS  43          1HD       LYS  43  -9.120   5.897   7.038
  356   1HE   LYS  43          2HE       LYS  43 -10.871   5.275   4.834
  357   2HE   LYS  43          1HE       LYS  43 -10.311   3.801   5.622
  358   1HZ   LYS  43          1HZ       LYS  43 -12.281   4.497   6.711
  359   2HZ   LYS  43          2HZ       LYS  43 -11.726   6.086   6.878
  360   3HZ   LYS  43          3HZ       LYS  43 -11.003   4.841   7.764
  361    H    GLY  44           H        GLY  44  -8.311  10.356   6.170
  362   1HA   GLY  44          2HA       GLY  44  -7.913  12.110   7.611
  363   2HA   GLY  44          1HA       GLY  44  -6.469  11.264   8.152
  364    H    LEU  45           H        LEU  45  -6.937  11.917   4.786
  365    HA   LEU  45           HA       LEU  45  -4.959  14.093   4.936
  366   1HB   LEU  45          2HB       LEU  45  -4.892  12.607   2.436
  367   2HB   LEU  45          1HB       LEU  45  -3.584  13.075   3.505
  368    HG   LEU  45           HG       LEU  45  -5.188  10.857   4.550
  369   1HD1  LEU  45          1HD1      LEU  45  -3.390   9.902   2.452
  370   2HD1  LEU  45          2HD1      LEU  45  -4.835  10.718   1.850
  371   3HD1  LEU  45          3HD1      LEU  45  -4.991   9.329   2.926
  372   1HD2  LEU  45          1HD2      LEU  45  -2.465  11.841   4.530
  373   2HD2  LEU  45          2HD2      LEU  45  -2.558  10.092   4.289
  374   3HD2  LEU  45          3HD2      LEU  45  -3.297  10.827   5.712
  375    H    LYS  46           H        LYS  46  -4.845  15.086   2.531
  376    HA   LYS  46           HA       LYS  46  -7.567  15.470   1.541
  377   1HB   LYS  46          2HB       LYS  46  -7.712  17.501   2.443
  378   2HB   LYS  46          1HB       LYS  46  -6.066  17.394   3.040
  379   1HG   LYS  46          2HG       LYS  46  -6.000  17.957   0.240
  380   2HG   LYS  46          1HG       LYS  46  -7.094  19.087   1.039
  381   1HD   LYS  46          2HD       LYS  46  -4.818  18.833   2.689
  382   2HD   LYS  46          1HD       LYS  46  -4.236  19.043   1.036
  383   1HE   LYS  46          2HE       LYS  46  -6.136  20.839   2.538
  384   2HE   LYS  46          1HE       LYS  46  -4.475  21.204   2.074
  385   1HZ   LYS  46          1HZ       LYS  46  -5.154  21.882   0.092
  386   2HZ   LYS  46          2HZ       LYS  46  -6.753  21.734   0.622
  387   3HZ   LYS  46          3HZ       LYS  46  -6.010  20.449  -0.190
  388    HA   PRO  47           HA       PRO  47  -5.631  15.020  -2.404
  389   1HB   PRO  47          2HB       PRO  47  -7.456  16.325  -3.955
  390   2HB   PRO  47          1HB       PRO  47  -7.719  14.702  -3.305
  391   1HG   PRO  47          2HG       PRO  47  -8.694  17.338  -2.269
  392   2HG   PRO  47          1HG       PRO  47  -9.577  15.808  -2.436
  393   1HD   PRO  47          2HD       PRO  47  -8.594  16.622  -0.069
  394   2HD   PRO  47          1HD       PRO  47  -8.625  14.906  -0.528
  395    H    GLY  48           H        GLY  48  -3.772  16.223  -2.440
  396   1HA   GLY  48          2HA       GLY  48  -3.546  18.471  -3.994
  397   2HA   GLY  48          1HA       GLY  48  -3.797  19.088  -2.371
  398    H    VAL  49           H        VAL  49  -2.277  16.430  -1.555
  399    HA   VAL  49           HA       VAL  49   0.402  17.598  -1.969
  400    HB   VAL  49           HB       VAL  49  -0.154  15.721   0.262
  401   1HG1  VAL  49          1HG1      VAL  49   1.665  18.085   0.340
  402   2HG1  VAL  49          2HG1      VAL  49   2.137  16.634  -0.554
  403   3HG1  VAL  49          3HG1      VAL  49   1.795  16.537   1.177
  404   1HG2  VAL  49          1HG2      VAL  49  -0.315  18.335   1.315
  405   2HG2  VAL  49          2HG2      VAL  49  -1.526  17.045   1.359
  406   3HG2  VAL  49          3HG2      VAL  49  -1.505  18.200   0.018
  407    H    VAL  50           H        VAL  50   2.038  16.299  -2.619
  408    HA   VAL  50           HA       VAL  50   1.306  13.768  -3.764
  409    HB   VAL  50           HB       VAL  50   4.165  14.307  -3.513
  410   1HG1  VAL  50          1HG1      VAL  50   2.375  12.973  -5.245
  411   2HG1  VAL  50          2HG1      VAL  50   4.138  12.979  -5.290
  412   3HG1  VAL  50          3HG1      VAL  50   3.229  14.186  -6.198
  413   1HG2  VAL  50          1HG2      VAL  50   3.348  16.621  -3.667
  414   2HG2  VAL  50          2HG2      VAL  50   2.508  16.205  -5.161
  415   3HG2  VAL  50          3HG2      VAL  50   4.270  16.129  -5.087
  416    H    TYR  51           H        TYR  51   2.027  11.769  -3.158
  417    HA   TYR  51           HA       TYR  51   3.488  11.432  -0.653
  418   1HB   TYR  51          2HB       TYR  51   0.630  10.909  -1.043
  419   2HB   TYR  51          1HB       TYR  51   1.502   9.478  -0.527
  420    HD1  TYR  51           1HD      TYR  51  -0.499  10.118   1.200
  421    HD2  TYR  51           2HD      TYR  51   3.266  12.039   0.981
  422    HE1  TYR  51           1HE      TYR  51  -0.736  10.852   3.533
  423    HE2  TYR  51           2HE      TYR  51   3.048  12.807   3.294
  424    HH   TYR  51           HH       TYR  51   1.499  11.689   5.443
  425    H    GLU  52           H        GLU  52   5.222  10.375  -1.612
  426    HA   GLU  52           HA       GLU  52   4.717   8.423  -3.682
  427   1HB   GLU  52          2HB       GLU  52   7.093   8.110  -3.767
  428   2HB   GLU  52          1HB       GLU  52   6.797   9.833  -3.573
  429   1HG   GLU  52          2HG       GLU  52   7.177   9.478  -1.099
  430   2HG   GLU  52          1HG       GLU  52   7.771   7.875  -1.520
  431    H    GLY  53           H        GLY  53   4.271   6.315  -3.393
  432   1HA   GLY  53          2HA       GLY  53   4.820   5.172  -0.725
  433   2HA   GLY  53          1HA       GLY  53   3.307   4.891  -1.568
  434    H    GLN  54           H        GLN  54   5.207   2.959  -0.542
  435    HA   GLN  54           HA       GLN  54   5.729   1.560  -3.082
  436   1HB   GLN  54          2HB       GLN  54   7.657   1.206  -0.830
  437   2HB   GLN  54          1HB       GLN  54   7.903   0.993  -2.558
  438   1HG   GLN  54          2HG       GLN  54   7.741   3.467  -2.809
  439   2HG   GLN  54          1HG       GLN  54   7.714   3.584  -1.049
  440   1HE2  GLN  54          1HE2      GLN  54   9.554   2.090  -0.078
  441   2HE2  GLN  54          2HE2      GLN  54  11.119   2.390  -0.748
  442    H    LEU  55           H        LEU  55   5.375  -0.614  -3.085
  443    HA   LEU  55           HA       LEU  55   4.442  -1.804  -0.559
  444   1HB   LEU  55          2HB       LEU  55   3.167  -1.675  -3.200
  445   2HB   LEU  55          1HB       LEU  55   3.209  -3.286  -2.510
  446    HG   LEU  55           HG       LEU  55   2.199  -0.990  -0.877
  447   1HD1  LEU  55          1HD1      LEU  55  -0.068  -1.480  -1.684
  448   2HD1  LEU  55          2HD1      LEU  55   0.612  -2.566  -2.895
  449   3HD1  LEU  55          3HD1      LEU  55   0.968  -0.840  -2.958
  450   1HD2  LEU  55          1HD2      LEU  55   2.616  -3.138   0.214
  451   2HD2  LEU  55          2HD2      LEU  55   1.536  -3.928  -0.935
  452   3HD2  LEU  55          3HD2      LEU  55   0.899  -2.738   0.199
  453    H    ILE  56           H        ILE  56   6.062  -3.089   0.059
  454    HA   ILE  56           HA       ILE  56   7.290  -4.818  -1.978
  455    HB   ILE  56           HB       ILE  56   8.487  -3.609   0.502
  456   1HG1  ILE  56          2HG1      ILE  56  10.269  -3.006  -1.216
  457   2HG1  ILE  56          1HG1      ILE  56   9.132  -3.542  -2.448
  458   1HG2  ILE  56          1HG2      ILE  56   9.615  -5.511   0.813
  459   2HG2  ILE  56          2HG2      ILE  56  10.495  -5.090  -0.656
  460   3HG2  ILE  56          3HG2      ILE  56   9.103  -6.168  -0.741
  461   1HD1  ILE  56          1HD1      ILE  56   8.378  -1.464  -0.429
  462   2HD1  ILE  56          2HD1      ILE  56   7.662  -1.793  -2.008
  463   3HD1  ILE  56          3HD1      ILE  56   9.258  -1.048  -1.900
  464    H    SER  57           H        SER  57   6.743  -6.868  -1.848
  465    HA   SER  57           HA       SER  57   5.513  -7.940   0.522
  466   1HB   SER  57          2HB       SER  57   5.362  -8.476  -2.212
  467   2HB   SER  57          1HB       SER  57   6.118  -9.905  -1.510
  468    HG   SER  57           HG       SER  57   4.068 -10.360  -1.159
  469    H    ILE  58           H        ILE  58   6.358  -9.228   1.937
  470    HA   ILE  58           HA       ILE  58   9.122 -10.163   1.652
  471    HB   ILE  58           HB       ILE  58   7.737  -9.319   4.201
  472   1HG1  ILE  58          2HG1      ILE  58  10.138  -7.978   2.998
  473   2HG1  ILE  58          1HG1      ILE  58   8.522  -7.553   2.441
  474   1HG2  ILE  58          1HG2      ILE  58  10.117 -10.890   3.678
  475   2HG2  ILE  58          2HG2      ILE  58   9.251 -10.620   5.191
  476   3HG2  ILE  58          3HG2      ILE  58  10.464  -9.459   4.651
  477   1HD1  ILE  58          1HD1      ILE  58   7.944  -6.590   4.445
  478   2HD1  ILE  58          2HD1      ILE  58   9.657  -6.188   4.332
  479   3HD1  ILE  58          3HD1      ILE  58   9.129  -7.522   5.359
  480    H    GLN  59           H        GLN  59   9.517 -12.294   2.008
  481    HA   GLN  59           HA       GLN  59   7.306 -13.919   3.094
  482   1HB   GLN  59          2HB       GLN  59   8.936 -14.278   0.691
  483   2HB   GLN  59          1HB       GLN  59   8.890 -15.703   1.716
  484   1HG   GLN  59          2HG       GLN  59   6.259 -14.584   1.426
  485   2HG   GLN  59          1HG       GLN  59   6.987 -14.893  -0.149
  486   1HE2  GLN  59          1HE2      GLN  59   5.767 -16.279   2.769
  487   2HE2  GLN  59          2HE2      GLN  59   5.799 -17.927   2.252
  488    H    GLN  60           H        GLN  60   8.452 -16.249   3.607
  489    HA   GLN  60           HA       GLN  60   9.927 -15.783   5.967
  490   1HB   GLN  60          2HB       GLN  60   9.710 -18.378   4.431
  491   2HB   GLN  60          1HB       GLN  60  10.112 -18.194   6.133
  492   1HG   GLN  60          2HG       GLN  60   7.515 -17.133   5.135
  493   2HG   GLN  60          1HG       GLN  60   7.701 -18.868   5.383
  494   1HE2  GLN  60          1HE2      GLN  60   6.565 -19.258   7.165
  495   2HE2  GLN  60          2HE2      GLN  60   6.784 -18.466   8.685
  496    H    TYR  61           H        TYR  61  10.867 -15.854   2.728
  497    HA   TYR  61           HA       TYR  61  13.656 -16.510   3.377
  498   1HB   TYR  61          2HB       TYR  61  12.311 -16.224   0.681
  499   2HB   TYR  61          1HB       TYR  61  13.987 -16.691   0.943
  500    HD1  TYR  61           1HD      TYR  61  14.543 -18.942   1.157
  501    HD2  TYR  61           2HD      TYR  61  10.500 -17.747   1.725
  502    HE1  TYR  61           1HE      TYR  61  13.868 -21.304   1.283
  503    HE2  TYR  61           2HE      TYR  61   9.814 -20.104   1.855
  504    HH   TYR  61           HH       TYR  61  12.086 -22.668   2.124
  505    H    GLY  62           H        GLY  62  11.677 -13.867   3.127
  506   1HA   GLY  62          2HA       GLY  62  12.181 -11.615   3.201
  507   2HA   GLY  62          1HA       GLY  62  13.884 -12.039   3.113
  508    H    HIS  63           H        HIS  63  12.202  -9.971   1.716
  509    HA   HIS  63           HA       HIS  63  12.096  -8.966  -0.321
  510   1HB   HIS  63          2HB       HIS  63  14.263 -10.913  -1.136
  511   2HB   HIS  63          1HB       HIS  63  13.885  -9.370  -1.896
  512    HD2  HIS  63           2HD      HIS  63  16.164 -10.802   0.751
  513    HE1  HIS  63           1HE      HIS  63  16.141  -6.602   1.269
  514    HE2  HIS  63           2HE      HIS  63  17.412  -8.748   1.728
  515    H    GLN  64           H        GLN  64  10.200  -9.360  -1.310
  516    HA   GLN  64           HA       GLN  64  10.014 -11.815  -2.900
  517   1HB   GLN  64          2HB       GLN  64   7.921 -10.642  -1.111
  518   2HB   GLN  64          1HB       GLN  64   7.527 -11.763  -2.406
  519   1HG   GLN  64          2HG       GLN  64   9.220 -12.257   0.016
  520   2HG   GLN  64          1HG       GLN  64   7.700 -13.030  -0.432
  521   1HE2  GLN  64          1HE2      GLN  64  10.699 -13.799  -0.022
  522   2HE2  GLN  64          2HE2      GLN  64  10.982 -14.893  -1.329
  523    H    GLU  65           H        GLU  65   8.046  -8.895  -2.413
  524    HA   GLU  65           HA       GLU  65   8.184  -8.414  -5.313
  525   1HB   GLU  65          2HB       GLU  65   5.960  -9.345  -4.089
  526   2HB   GLU  65          1HB       GLU  65   5.710  -7.612  -3.910
  527   1HG   GLU  65          2HG       GLU  65   6.534  -8.422  -6.597
  528   2HG   GLU  65          1HG       GLU  65   4.991  -9.101  -6.079
  529    H    VAL  66           H        VAL  66   8.146  -6.316  -6.013
  530    HA   VAL  66           HA       VAL  66   8.166  -4.221  -3.968
  531    HB   VAL  66           HB       VAL  66  10.448  -4.424  -4.220
  532   1HG1  VAL  66          1HG1      VAL  66  11.611  -5.126  -6.106
  533   2HG1  VAL  66          2HG1      VAL  66  10.300  -4.675  -7.198
  534   3HG1  VAL  66          3HG1      VAL  66  10.124  -6.075  -6.137
  535   1HG2  VAL  66          1HG2      VAL  66   9.572  -2.442  -6.325
  536   2HG2  VAL  66          2HG2      VAL  66  11.200  -2.528  -5.651
  537   3HG2  VAL  66          3HG2      VAL  66   9.834  -2.120  -4.611
  538    H    THR  67           H        THR  67   6.888  -2.580  -4.507
  539    HA   THR  67           HA       THR  67   6.372  -2.080  -7.351
  540    HB   THR  67           HB       THR  67   4.486  -3.139  -5.494
  541    HG1  THR  67           1HG      THR  67   4.844  -3.232  -7.965
  542   1HG2  THR  67          1HG2      THR  67   3.550  -0.494  -6.604
  543   2HG2  THR  67          2HG2      THR  67   4.112  -0.688  -4.945
  544   3HG2  THR  67          3HG2      THR  67   2.696  -1.578  -5.504
  545    H    ARG  68           H        ARG  68   6.439   0.000  -7.931
  546    HA   ARG  68           HA       ARG  68   6.682   2.002  -5.784
  547   1HB   ARG  68          2HB       ARG  68   7.620   2.556  -8.565
  548   2HB   ARG  68          1HB       ARG  68   8.246   3.151  -7.034
  549   1HG   ARG  68          2HG       ARG  68   8.584   0.306  -7.189
  550   2HG   ARG  68          1HG       ARG  68   9.265   1.082  -8.620
  551   1HD   ARG  68          2HD       ARG  68  10.487   2.643  -7.108
  552   2HD   ARG  68          1HD       ARG  68   9.903   1.699  -5.739
  553    HE   ARG  68           HE       ARG  68  11.102  -0.223  -6.918
  554   1HH1  ARG  68          1HH1      ARG  68  12.146   3.101  -7.052
  555   2HH1  ARG  68          2HH1      ARG  68  13.814   2.700  -7.291
  556   1HH2  ARG  68          1HH2      ARG  68  13.293  -0.756  -7.230
  557   2HH2  ARG  68          2HH2      ARG  68  14.465   0.508  -7.393
  558    H    PHE  69           H        PHE  69   4.981   3.270  -5.555
  559    HA   PHE  69           HA       PHE  69   3.602   4.284  -7.926
  560   1HB   PHE  69          2HB       PHE  69   1.392   3.742  -7.062
  561   2HB   PHE  69          1HB       PHE  69   2.345   2.276  -7.257
  562    HD1  PHE  69           1HD      PHE  69   3.571   1.425  -5.132
  563    HD2  PHE  69           2HD      PHE  69   0.293   4.138  -5.074
  564    HE1  PHE  69           1HE      PHE  69   3.115   0.816  -2.792
  565    HE2  PHE  69           2HE      PHE  69  -0.168   3.535  -2.733
  566    HZ   PHE  69           HZ       PHE  69   1.244   1.872  -1.590
  567    H    ASP  70           H        ASP  70   3.234   6.381  -7.789
  568    HA   ASP  70           HA       ASP  70   3.465   7.676  -5.171
  569   1HB   ASP  70          2HB       ASP  70   3.401   9.706  -7.032
  570   2HB   ASP  70          1HB       ASP  70   4.859   8.995  -6.348
  571    H    PHE  71           H        PHE  71   1.707   8.371  -4.190
  572    HA   PHE  71           HA       PHE  71  -0.676   8.995  -5.807
  573   1HB   PHE  71          2HB       PHE  71  -2.088   8.057  -4.122
  574   2HB   PHE  71          1HB       PHE  71  -0.844   6.862  -4.484
  575    HD1  PHE  71           1HD      PHE  71  -2.149   9.202  -1.974
  576    HD2  PHE  71           2HD      PHE  71   0.848   6.295  -2.854
  577    HE1  PHE  71           1HE      PHE  71  -1.617   9.025   0.422
  578    HE2  PHE  71           2HE      PHE  71   1.386   6.128  -0.459
  579    HZ   PHE  71           HZ       PHE  71   0.152   7.489   1.179
  580    H    THR  72           H        THR  72  -2.195  10.547  -4.696
  581    HA   THR  72           HA       THR  72  -0.694  12.350  -2.917
  582    HB   THR  72           HB       THR  72  -1.383  14.281  -4.069
  583    HG1  THR  72           1HG      THR  72  -3.213  12.577  -5.428
  584   1HG2  THR  72          1HG2      THR  72  -0.874  13.704  -6.553
  585   2HG2  THR  72          2HG2      THR  72  -0.547  12.087  -5.930
  586   3HG2  THR  72          3HG2      THR  72   0.383  13.465  -5.340
  587    H    THR  73           H        THR  73  -1.684  13.076  -1.231
  588    HA   THR  73           HA       THR  73  -4.189  13.869  -0.675
  589    HB   THR  73           HB       THR  73  -4.847  11.602   0.681
  590    HG1  THR  73           1HG      THR  73  -3.809   9.989  -0.201
  591   1HG2  THR  73          1HG2      THR  73  -5.740  12.841  -1.844
  592   2HG2  THR  73          2HG2      THR  73  -6.646  12.472  -0.376
  593   3HG2  THR  73          3HG2      THR  73  -6.304  11.197  -1.546
  594    H    THR  74           H        THR  74  -3.088  15.125   0.819
  595    HA   THR  74           HA       THR  74  -2.491  13.883   3.348
  596    HB   THR  74           HB       THR  74  -0.264  13.818   3.330
  597    HG1  THR  74           1HG      THR  74   0.801  15.649   3.296
  598   1HG2  THR  74          1HG2      THR  74  -0.563  12.851   1.150
  599   2HG2  THR  74          2HG2      THR  74   0.876  13.872   1.113
  600   3HG2  THR  74          3HG2      THR  74  -0.634  14.448   0.406
  601    H    SER  75           H        SER  75  -0.944  15.925   4.464
  602    HA   SER  75           HA       SER  75  -0.926  18.106   5.181
  603   1HB   SER  75          2HB       SER  75  -2.062  18.591   2.832
  604   2HB   SER  75          1HB       SER  75  -3.489  18.833   3.838
  605    HG   SER  75           HG       SER  75  -1.005  20.188   3.999
  606    H    THR  76           H        THR  76  -1.279  17.425   7.233
  607    HA   THR  76           HA       THR  76  -3.690  18.211   8.483
  608    HB   THR  76           HB       THR  76  -4.510  16.080   7.539
  609    HG1  THR  76           1HG      THR  76  -4.987  16.938   9.811
  610   1HG2  THR  76          1HG2      THR  76  -2.386  14.809   9.271
  611   2HG2  THR  76          2HG2      THR  76  -2.371  14.870   7.508
  612   3HG2  THR  76          3HG2      THR  76  -3.623  13.955   8.348
  613    H    SER  77           H        SER  77  -0.592  18.034   8.528
  614    HA   SER  77           HA       SER  77  -0.407  17.789  11.443
  615   1HB   SER  77          2HB       SER  77   1.793  16.713   9.698
  616   2HB   SER  77          1HB       SER  77   1.474  16.385  11.402
  617    HG   SER  77           HG       SER  77  -0.654  15.551  10.264
  618    H    THR  78           H        THR  78   2.618  17.988  10.027
  619    HA   THR  78           HA       THR  78   4.204  19.647  10.241
  620    HB   THR  78           HB       THR  78   3.461  19.778   7.913
  621    HG1  THR  78           1HG      THR  78   4.834  21.538   9.148
  622   1HG2  THR  78          1HG2      THR  78   1.304  21.388   9.143
  623   2HG2  THR  78          2HG2      THR  78   1.260  20.311   7.742
  624   3HG2  THR  78          3HG2      THR  78   1.910  21.945   7.578
  625    HA   PRO  79           HA       PRO  79   1.920  22.736  12.856
  626   1HB   PRO  79          2HB       PRO  79   1.281  21.528  15.105
  627   2HB   PRO  79          1HB       PRO  79   0.386  21.158  13.623
  628   1HG   PRO  79          2HG       PRO  79   2.434  19.531  15.045
  629   2HG   PRO  79          1HG       PRO  79   1.033  19.001  14.098
  630   1HD   PRO  79          2HD       PRO  79   3.756  19.277  13.221
  631   2HD   PRO  79          1HD       PRO  79   2.347  18.774  12.263
  632    H    GLY  80           H        GLY  80   4.810  21.989  12.597
  633   1HA   GLY  80          2HA       GLY  80   5.696  22.932  15.255
  634   2HA   GLY  80          1HA       GLY  80   6.609  21.754  14.323
  635    H    SER  81           H        SER  81   8.101  23.743  15.027
  636    HA   SER  81           HA       SER  81   8.669  25.117  12.560
  637   1HB   SER  81          2HB       SER  81   7.014  26.642  13.524
  638   2HB   SER  81          1HB       SER  81   7.939  26.718  15.024
  639    HG   SER  81           HG       SER  81   9.579  27.311  13.029
  640    H    ARG  82           H        ARG  82   9.430  25.738  15.991
  641    HA   ARG  82           HA       ARG  82  12.277  25.527  15.313
  642   1HB   ARG  82          2HB       ARG  82  11.061  26.635  17.845
  643   2HB   ARG  82          1HB       ARG  82  12.725  26.800  17.302
  644   1HG   ARG  82          2HG       ARG  82  11.117  27.829  15.240
  645   2HG   ARG  82          1HG       ARG  82  10.470  28.466  16.754
  646   1HD   ARG  82          2HD       ARG  82  12.254  29.869  15.687
  647   2HD   ARG  82          1HD       ARG  82  12.573  29.397  17.355
  648    HE   ARG  82           HE       ARG  82  13.726  27.731  15.264
  649   1HH1  ARG  82          1HH1      ARG  82  14.166  30.255  17.623
  650   2HH1  ARG  82          2HH1      ARG  82  15.889  30.093  17.666
  651   1HH2  ARG  82          1HH2      ARG  82  15.996  27.508  15.313
  652   2HH2  ARG  82          2HH2      ARG  82  16.930  28.532  16.353
  653    H    SER  83           H        SER  83  13.575  24.016  16.167
  654    HA   SER  83           HA       SER  83  14.215  22.075  17.161
  655   1HB   SER  83          2HB       SER  83  13.813  23.685  19.159
  656   2HB   SER  83          1HB       SER  83  12.375  22.709  19.454
  657    HG   SER  83           HG       SER  83  15.063  21.800  19.355
  658    H    HIS  84           H        HIS  84  13.286  20.617  15.737
  659    HA   HIS  84           HA       HIS  84  10.598  19.827  15.712
  660   1HB   HIS  84          2HB       HIS  84  12.910  18.031  14.981
  661   2HB   HIS  84          1HB       HIS  84  11.277  18.014  14.325
  662    HD2  HIS  84           2HD      HIS  84  14.688  19.454  13.563
  663    HE1  HIS  84           1HE      HIS  84  11.894  21.556  11.180
  664    HE2  HIS  84           2HE      HIS  84  14.340  20.965  11.485
  665    H    HIS  85           H        HIS  85   9.689  17.752  16.374
  666    HA   HIS  85           HA       HIS  85  10.660  17.002  19.032
  667   1HB   HIS  85          2HB       HIS  85   8.350  15.742  18.990
  668   2HB   HIS  85          1HB       HIS  85   8.416  17.477  19.277
  669    HD2  HIS  85           2HD      HIS  85   8.010  15.257  16.024
  670    HE1  HIS  85           1HE      HIS  85   5.435  18.612  15.867
  671    HE2  HIS  85           2HE      HIS  85   6.068  16.421  14.759
  672    H    HIS  86           H        HIS  86  10.254  14.631  19.616
  673    HA   HIS  86           HA       HIS  86  10.908  12.469  19.385
  674   1HB   HIS  86          2HB       HIS  86   9.164  13.036  17.217
  675   2HB   HIS  86          1HB       HIS  86  10.465  12.026  16.592
  676    HD2  HIS  86           2HD      HIS  86  10.090   9.407  16.982
  677    HE1  HIS  86           1HE      HIS  86   7.246   9.723  20.101
  678    HE2  HIS  86           2HE      HIS  86   8.342   8.157  18.436
  679    H    HIS  87           H        HIS  87  13.104  13.448  19.649
  680    HA   HIS  87           HA       HIS  87  14.758  13.510  17.266
  681   1HB   HIS  87          2HB       HIS  87  14.879  14.948  19.535
  682   2HB   HIS  87          1HB       HIS  87  15.993  13.654  19.961
  683    HD2  HIS  87           2HD      HIS  87  18.503  14.203  19.254
  684    HE1  HIS  87           1HE      HIS  87  17.628  16.847  16.068
  685    HE2  HIS  87           2HE      HIS  87  19.469  15.631  17.316
  686    H    HIS  88           H        HIS  88  13.486  10.991  18.250
  687    HA   HIS  88           HA       HIS  88  15.954   9.398  18.479
  688   1HB   HIS  88          2HB       HIS  88  13.560   9.392  20.160
  689   2HB   HIS  88          1HB       HIS  88  13.976   7.794  19.553
  690    HD2  HIS  88           2HD      HIS  88  15.776   6.513  21.053
  691    HE1  HIS  88           1HE      HIS  88  17.407   9.910  22.979
  692    HE2  HIS  88           2HE      HIS  88  17.318   7.377  22.951
  693    H    HIS  89           H        HIS  89  13.168  10.090  16.730
  694    HA   HIS  89           HA       HIS  89  13.737   8.036  14.809
  695   1HB   HIS  89          2HB       HIS  89  11.751   7.527  16.808
  696   2HB   HIS  89          1HB       HIS  89  10.951   7.702  15.249
  697    HD2  HIS  89           2HD      HIS  89  10.629   4.813  16.045
  698    HE1  HIS  89           1HE      HIS  89  14.304   3.950  14.133
  699    HE2  HIS  89           2HE      HIS  89  12.248   2.955  15.233
  Start of MODEL   23
    1   1H    MET   1          1HT       MET   1 -12.458  -7.779  19.850
    2   2H    MET   1          2HT       MET   1 -13.793  -6.843  19.398
    3   3H    MET   1          3HT       MET   1 -12.307  -6.629  18.618
    4    HA   MET   1           HA       MET   1 -12.425  -8.715  17.559
    5   1HB   MET   1          2HB       MET   1 -14.386  -9.163  19.711
    6   2HB   MET   1          1HB       MET   1 -14.829  -9.870  18.165
    7   1HG   MET   1          2HG       MET   1 -13.647 -11.480  19.514
    8   2HG   MET   1          1HG       MET   1 -12.688 -11.053  18.098
    9   1HE   MET   1          1HE       MET   1  -9.987 -11.911  20.172
   10   2HE   MET   1          2HE       MET   1 -11.581 -12.626  19.928
   11   3HE   MET   1          3HE       MET   1 -11.099 -12.070  21.532
   12    H    ARG   2           H        ARG   2 -12.738  -7.599  15.696
   13    HA   ARG   2           HA       ARG   2 -15.279  -6.303  15.159
   14   1HB   ARG   2          2HB       ARG   2 -14.037  -5.939  12.862
   15   2HB   ARG   2          1HB       ARG   2 -13.617  -4.985  14.277
   16   1HG   ARG   2          2HG       ARG   2 -11.524  -5.683  14.157
   17   2HG   ARG   2          1HG       ARG   2 -12.051  -7.363  14.284
   18   1HD   ARG   2          2HD       ARG   2 -12.495  -7.336  11.832
   19   2HD   ARG   2          1HD       ARG   2 -11.782  -5.724  11.768
   20    HE   ARG   2           HE       ARG   2 -10.132  -7.823  12.913
   21   1HH1  ARG   2          1HH1      ARG   2 -10.936  -5.906  10.115
   22   2HH1  ARG   2          2HH1      ARG   2  -9.428  -6.204   9.318
   23   1HH2  ARG   2          1HH2      ARG   2  -8.144  -8.220  11.870
   24   2HH2  ARG   2          2HH2      ARG   2  -7.841  -7.518  10.315
   25    H    GLY   3           H        GLY   3 -16.268  -6.663  12.940
   26   1HA   GLY   3          2HA       GLY   3 -16.662  -9.543  12.621
   27   2HA   GLY   3          1HA       GLY   3 -17.703  -8.277  11.986
   28    H    SER   4           H        SER   4 -17.430  -9.947  10.149
   29    HA   SER   4           HA       SER   4 -16.657 -10.449   8.070
   30   1HB   SER   4          2HB       SER   4 -16.518  -7.612   8.372
   31   2HB   SER   4          1HB       SER   4 -15.134  -8.136   7.413
   32    HG   SER   4           HG       SER   4 -17.854  -8.776   6.908
   33    H    ASN   5           H        ASN   5 -15.242 -12.039   9.075
   34    HA   ASN   5           HA       ASN   5 -12.521 -11.450   9.652
   35   1HB   ASN   5          2HB       ASN   5 -14.230 -13.839   9.549
   36   2HB   ASN   5          1HB       ASN   5 -12.545 -14.141   9.135
   37   1HD2  ASN   5          1HD2      ASN   5 -10.964 -13.053  10.680
   38   2HD2  ASN   5          2HD2      ASN   5 -11.326 -13.206  12.362
   39    H    ALA   6           H        ALA   6 -11.010 -13.325   8.398
   40    HA   ALA   6           HA       ALA   6 -11.325 -12.977   5.521
   41   1HB   ALA   6          1HB       ALA   6  -9.440 -11.475   7.125
   42   2HB   ALA   6          2HB       ALA   6  -9.889 -11.277   5.431
   43   3HB   ALA   6          3HB       ALA   6  -8.632 -12.429   5.882
   44    HA   PRO   7           HA       PRO   7  -9.840 -17.170   5.852
   45   1HB   PRO   7          2HB       PRO   7  -9.683 -17.709   3.197
   46   2HB   PRO   7          1HB       PRO   7 -11.215 -17.654   4.075
   47   1HG   PRO   7          2HG       PRO   7  -9.947 -15.567   2.346
   48   2HG   PRO   7          1HG       PRO   7 -11.643 -16.078   2.423
   49   1HD   PRO   7          2HD       PRO   7 -10.728 -13.835   3.644
   50   2HD   PRO   7          1HD       PRO   7 -12.077 -14.794   4.284
   51    H    GLN   8           H        GLN   8  -8.380 -16.350   2.791
   52    HA   GLN   8           HA       GLN   8  -6.220 -16.394   2.079
   53   1HB   GLN   8          2HB       GLN   8  -5.545 -15.056   4.696
   54   2HB   GLN   8          1HB       GLN   8  -4.723 -14.886   3.151
   55   1HG   GLN   8          2HG       GLN   8  -7.369 -13.762   3.999
   56   2HG   GLN   8          1HG       GLN   8  -5.938 -12.908   3.425
   57   1HE2  GLN   8          1HE2      GLN   8  -8.927 -13.470   2.577
   58   2HE2  GLN   8          2HE2      GLN   8  -8.784 -13.634   0.863
   59    HA   PRO   9           HA       PRO   9  -5.140 -20.037   4.757
   60   1HB   PRO   9          2HB       PRO   9  -5.055 -21.867   2.774
   61   2HB   PRO   9          1HB       PRO   9  -6.562 -21.417   3.582
   62   1HG   PRO   9          2HG       PRO   9  -5.475 -20.495   0.948
   63   2HG   PRO   9          1HG       PRO   9  -7.133 -20.963   1.372
   64   1HD   PRO   9          2HD       PRO   9  -6.318 -18.373   1.201
   65   2HD   PRO   9          1HD       PRO   9  -7.607 -18.912   2.295
   66    H    SER  10           H        SER  10  -3.100 -19.012   5.063
   67    HA   SER  10           HA       SER  10  -0.836 -18.905   4.938
   68   1HB   SER  10          2HB       SER  10  -1.503 -21.453   3.848
   69   2HB   SER  10          1HB       SER  10  -0.189 -20.776   2.885
   70    HG   SER  10           HG       SER  10   1.033 -20.566   4.740
   71    H    HIS  11           H        HIS  11   0.246 -17.302   4.037
   72    HA   HIS  11           HA       HIS  11   0.434 -17.048   1.158
   73   1HB   HIS  11          2HB       HIS  11  -1.642 -15.725   2.256
   74   2HB   HIS  11          1HB       HIS  11  -0.379 -14.521   2.483
   75    HD2  HIS  11           2HD      HIS  11  -2.355 -13.366   0.501
   76    HE1  HIS  11           1HE      HIS  11  -0.103 -15.120  -2.624
   77    HE2  HIS  11           2HE      HIS  11  -1.974 -13.504  -2.062
   78    H    ILE  12           H        ILE  12   1.296 -14.226   1.405
   79    HA   ILE  12           HA       ILE  12   4.038 -14.692   1.941
   80    HB   ILE  12           HB       ILE  12   3.402 -13.002   0.330
   81   1HG1  ILE  12          2HG1      ILE  12   4.483 -11.134   2.307
   82   2HG1  ILE  12          1HG1      ILE  12   5.327 -12.682   2.289
   83   1HG2  ILE  12          1HG2      ILE  12   1.713 -12.069   2.525
   84   2HG2  ILE  12          2HG2      ILE  12   1.516 -11.887   0.781
   85   3HG2  ILE  12          3HG2      ILE  12   2.561 -10.779   1.671
   86   1HD1  ILE  12          1HD1      ILE  12   4.802 -11.195  -0.249
   87   2HD1  ILE  12          2HD1      ILE  12   6.028 -12.415   0.095
   88   3HD1  ILE  12          3HD1      ILE  12   6.177 -10.797   0.779
   89    H    SER  13           H        SER  13   5.353 -13.895   3.601
   90    HA   SER  13           HA       SER  13   4.440 -14.141   6.190
   91   1HB   SER  13          2HB       SER  13   6.862 -14.076   5.319
   92   2HB   SER  13          1HB       SER  13   6.740 -12.324   5.484
   93    HG   SER  13           HG       SER  13   7.419 -13.949   7.350
   94    H    LYS  14           H        LYS  14   4.940 -11.145   4.331
   95    HA   LYS  14           HA       LYS  14   2.740  -9.831   5.489
   96   1HB   LYS  14          2HB       LYS  14   3.797  -8.240   6.949
   97   2HB   LYS  14          1HB       LYS  14   4.237  -9.856   7.478
   98   1HG   LYS  14          2HG       LYS  14   6.156  -8.802   5.592
   99   2HG   LYS  14          1HG       LYS  14   5.956  -7.739   6.987
  100   1HD   LYS  14          2HD       LYS  14   6.047 -10.384   7.970
  101   2HD   LYS  14          1HD       LYS  14   7.360 -10.223   6.803
  102   1HE   LYS  14          2HE       LYS  14   8.533  -8.873   8.146
  103   2HE   LYS  14          1HE       LYS  14   7.111  -7.920   8.568
  104   1HZ   LYS  14          1HZ       LYS  14   8.259  -9.234  10.407
  105   2HZ   LYS  14          2HZ       LYS  14   7.547 -10.605   9.717
  106   3HZ   LYS  14          3HZ       LYS  14   6.574  -9.350  10.301
  107    H    TYR  15           H        TYR  15   2.359  -7.785   4.625
  108    HA   TYR  15           HA       TYR  15   4.025  -7.097   2.303
  109   1HB   TYR  15          2HB       TYR  15   1.133  -6.871   2.936
  110   2HB   TYR  15          1HB       TYR  15   1.827  -5.536   2.028
  111    HD1  TYR  15           1HD      TYR  15   0.349  -8.734   1.797
  112    HD2  TYR  15           2HD      TYR  15   3.206  -6.212  -0.095
  113    HE1  TYR  15           1HE      TYR  15   0.101 -10.021  -0.282
  114    HE2  TYR  15           2HE      TYR  15   2.964  -7.491  -2.179
  115    HH   TYR  15           HH       TYR  15   0.874  -9.041  -3.158
  116    H    ILE  16           H        ILE  16   5.029  -5.105   2.187
  117    HA   ILE  16           HA       ILE  16   4.638  -3.335   4.512
  118    HB   ILE  16           HB       ILE  16   7.121  -3.957   2.937
  119   1HG1  ILE  16          2HG1      ILE  16   6.601  -5.341   4.908
  120   2HG1  ILE  16          1HG1      ILE  16   8.061  -4.390   5.150
  121   1HG2  ILE  16          1HG2      ILE  16   6.455  -1.469   4.433
  122   2HG2  ILE  16          2HG2      ILE  16   7.413  -1.685   2.969
  123   3HG2  ILE  16          3HG2      ILE  16   8.095  -2.107   4.539
  124   1HD1  ILE  16          1HD1      ILE  16   6.112  -2.760   6.172
  125   2HD1  ILE  16          2HD1      ILE  16   7.157  -3.833   7.105
  126   3HD1  ILE  16          3HD1      ILE  16   5.550  -4.373   6.616
  127    H    LEU  17           H        LEU  17   3.800  -1.422   4.131
  128    HA   LEU  17           HA       LEU  17   3.908  -0.339   1.397
  129   1HB   LEU  17          2HB       LEU  17   1.714  -0.801   2.943
  130   2HB   LEU  17          1HB       LEU  17   2.059   0.868   3.353
  131    HG   LEU  17           HG       LEU  17   2.100   0.382   0.474
  132   1HD1  LEU  17          1HD1      LEU  17   0.394  -1.167   0.694
  133   2HD1  LEU  17          2HD1      LEU  17  -0.487   0.348   0.489
  134   3HD1  LEU  17          3HD1      LEU  17  -0.301  -0.355   2.096
  135   1HD2  LEU  17          1HD2      LEU  17   0.508   2.335   0.597
  136   2HD2  LEU  17          2HD2      LEU  17   2.111   2.610   1.275
  137   3HD2  LEU  17          3HD2      LEU  17   0.741   2.307   2.345
  138    H    ARG  18           H        ARG  18   5.403   1.194   1.153
  139    HA   ARG  18           HA       ARG  18   5.949   2.970   3.438
  140   1HB   ARG  18          2HB       ARG  18   7.811   2.086   1.229
  141   2HB   ARG  18          1HB       ARG  18   8.211   3.281   2.453
  142   1HG   ARG  18          2HG       ARG  18   8.536   1.732   4.060
  143   2HG   ARG  18          1HG       ARG  18   7.264   0.671   3.448
  144   1HD   ARG  18          2HD       ARG  18   8.711  -0.531   2.244
  145   2HD   ARG  18          1HD       ARG  18   9.501   0.911   1.607
  146    HE   ARG  18           HE       ARG  18  10.295   0.586   4.265
  147   1HH1  ARG  18          1HH1      ARG  18  10.639  -1.018   1.191
  148   2HH1  ARG  18          2HH1      ARG  18  12.178  -1.711   1.580
  149   1HH2  ARG  18          1HH2      ARG  18  12.320  -0.321   4.786
  150   2HH2  ARG  18          2HH2      ARG  18  13.135  -1.316   3.624
  151    H    TRP  19           H        TRP  19   5.572   5.087   3.160
  152    HA   TRP  19           HA       TRP  19   5.724   6.235   0.502
  153   1HB   TRP  19          2HB       TRP  19   3.515   6.982   0.310
  154   2HB   TRP  19          1HB       TRP  19   3.352   5.325   0.879
  155    HD1  TRP  19           HD       TRP  19   2.611   8.907   1.850
  156    HE1  TRP  19           1HE      TRP  19   1.237   8.926   4.028
  157    HE3  TRP  19           3HE      TRP  19   3.018   3.968   3.114
  158    HZ2  TRP  19           2HZ      TRP  19   0.430   7.089   6.016
  159    HZ3  TRP  19           3HZ      TRP  19   1.913   3.179   5.166
  160    HH2  TRP  19           HH       TRP  19   0.647   4.710   6.587
  161    H    ARG  20           H        ARG  20   5.768   8.512   0.455
  162    HA   ARG  20           HA       ARG  20   5.752  10.034   2.897
  163   1HB   ARG  20          2HB       ARG  20   8.038  10.638   2.979
  164   2HB   ARG  20          1HB       ARG  20   8.030   8.889   2.799
  165   1HG   ARG  20          2HG       ARG  20   9.249   9.027   0.959
  166   2HG   ARG  20          1HG       ARG  20   8.083  10.121   0.214
  167   1HD   ARG  20          2HD       ARG  20   9.262  11.978   0.774
  168   2HD   ARG  20          1HD       ARG  20   9.853  11.279   2.280
  169    HE   ARG  20           HE       ARG  20  10.953  10.551  -0.357
  170   1HH1  ARG  20          1HH1      ARG  20  11.348  11.407   2.998
  171   2HH1  ARG  20          2HH1      ARG  20  13.070  11.228   2.974
  172   1HH2  ARG  20          1HH2      ARG  20  13.224  10.314  -0.395
  173   2HH2  ARG  20          2HH2      ARG  20  14.136  10.606   1.047
  174    HA   PRO  21           HA       PRO  21   4.680  13.333   0.181
  175   1HB   PRO  21          2HB       PRO  21   6.622  15.123   1.524
  176   2HB   PRO  21          1HB       PRO  21   4.870  15.276   1.366
  177   1HG   PRO  21          2HG       PRO  21   6.010  14.617   3.699
  178   2HG   PRO  21          1HG       PRO  21   4.448  13.943   3.200
  179   1HD   PRO  21          2HD       PRO  21   7.157  12.680   3.168
  180   2HD   PRO  21          1HD       PRO  21   5.580  11.963   3.562
  181    H    LYS  22           H        LYS  22   5.361  13.174  -1.861
  182    HA   LYS  22           HA       LYS  22   8.035  12.832  -2.660
  183   1HB   LYS  22          2HB       LYS  22   5.580  12.614  -3.874
  184   2HB   LYS  22          1HB       LYS  22   6.267  14.021  -4.673
  185   1HG   LYS  22          2HG       LYS  22   8.345  12.208  -4.670
  186   2HG   LYS  22          1HG       LYS  22   6.917  11.212  -4.967
  187   1HD   LYS  22          2HD       LYS  22   6.660  13.556  -6.534
  188   2HD   LYS  22          1HD       LYS  22   8.299  12.942  -6.764
  189   1HE   LYS  22          2HE       LYS  22   6.108  10.956  -6.825
  190   2HE   LYS  22          1HE       LYS  22   6.197  12.079  -8.181
  191   1HZ   LYS  22          1HZ       LYS  22   7.604  10.523  -8.962
  192   2HZ   LYS  22          2HZ       LYS  22   8.010   9.934  -7.429
  193   3HZ   LYS  22          3HZ       LYS  22   8.737  11.346  -8.010
  194    H    ASN  23           H        ASN  23   6.058  15.679  -2.210
  195    HA   ASN  23           HA       ASN  23   8.173  17.386  -3.304
  196   1HB   ASN  23          2HB       ASN  23   5.506  17.542  -3.669
  197   2HB   ASN  23          1HB       ASN  23   5.675  18.595  -2.266
  198   1HD2  ASN  23          1HD2      ASN  23   7.218  20.357  -2.435
  199   2HD2  ASN  23          2HD2      ASN  23   7.475  21.102  -3.971
  200    H    SER  24           H        SER  24   6.383  16.744  -0.339
  201    HA   SER  24           HA       SER  24   7.929  18.734   1.125
  202   1HB   SER  24          2HB       SER  24   5.839  18.881   2.010
  203   2HB   SER  24          1HB       SER  24   5.426  17.226   1.576
  204    HG   SER  24           HG       SER  24   5.605  17.076   3.707
  205    H    VAL  25           H        VAL  25   8.705  18.010   3.366
  206    HA   VAL  25           HA       VAL  25  10.056  15.402   3.110
  207    HB   VAL  25           HB       VAL  25  11.613  17.319   2.936
  208   1HG1  VAL  25          1HG1      VAL  25  10.733  19.047   4.204
  209   2HG1  VAL  25          2HG1      VAL  25  12.072  18.482   5.204
  210   3HG1  VAL  25          3HG1      VAL  25  10.419  18.005   5.593
  211   1HG2  VAL  25          1HG2      VAL  25  13.135  16.574   4.833
  212   2HG2  VAL  25          2HG2      VAL  25  12.582  15.326   3.717
  213   3HG2  VAL  25          3HG2      VAL  25  11.832  15.484   5.305
  214    H    GLY  26           H        GLY  26   9.939  13.995   4.798
  215   1HA   GLY  26          2HA       GLY  26   9.505  14.616   7.476
  216   2HA   GLY  26          1HA       GLY  26   7.922  14.392   6.752
  217    H    ARG  27           H        ARG  27  10.805  12.629   5.789
  218    HA   ARG  27           HA       ARG  27  11.348  10.423   5.842
  219   1HB   ARG  27          2HB       ARG  27   9.833  10.699   8.420
  220   2HB   ARG  27          1HB       ARG  27  10.448   9.136   7.902
  221   1HG   ARG  27          2HG       ARG  27  12.641  10.732   7.604
  222   2HG   ARG  27          1HG       ARG  27  11.856  11.436   9.021
  223   1HD   ARG  27          2HD       ARG  27  12.814   9.820  10.218
  224   2HD   ARG  27          1HD       ARG  27  11.695   8.701   9.441
  225    HE   ARG  27           HE       ARG  27  13.564   8.590   7.666
  226   1HH1  ARG  27          1HH1      ARG  27  14.040   8.931  11.104
  227   2HH1  ARG  27          2HH1      ARG  27  15.587   8.152  11.094
  228   1HH2  ARG  27          1HH2      ARG  27  15.596   7.565   7.647
  229   2HH2  ARG  27          2HH2      ARG  27  16.471   7.376   9.129
  230    H    TRP  28           H        TRP  28  10.348   8.128   5.983
  231    HA   TRP  28           HA       TRP  28   7.987   8.160   4.281
  232   1HB   TRP  28          2HB       TRP  28   9.904   5.960   5.074
  233   2HB   TRP  28          1HB       TRP  28   8.501   5.702   4.043
  234    HD1  TRP  28           HD       TRP  28  11.815   7.697   4.051
  235    HE1  TRP  28           1HE      TRP  28  12.552   8.026   1.608
  236    HE3  TRP  28           3HE      TRP  28   7.762   5.653   1.696
  237    HZ2  TRP  28           2HZ      TRP  28  11.547   7.492  -0.977
  238    HZ3  TRP  28           3HZ      TRP  28   7.729   5.600  -0.763
  239    HH2  TRP  28           HH       TRP  28   9.582   6.502  -2.072
  240    H    LYS  29           H        LYS  29   6.774   5.800   4.759
  241    HA   LYS  29           HA       LYS  29   6.073   5.676   7.594
  242   1HB   LYS  29          2HB       LYS  29   4.100   6.190   5.359
  243   2HB   LYS  29          1HB       LYS  29   3.632   5.653   6.966
  244   1HG   LYS  29          2HG       LYS  29   5.342   7.960   7.129
  245   2HG   LYS  29          1HG       LYS  29   3.955   8.275   6.084
  246   1HD   LYS  29          2HD       LYS  29   2.995   8.794   8.077
  247   2HD   LYS  29          1HD       LYS  29   2.684   7.057   8.085
  248   1HE   LYS  29          2HE       LYS  29   3.979   6.752   9.871
  249   2HE   LYS  29          1HE       LYS  29   5.302   7.665   9.146
  250   1HZ   LYS  29          1HZ       LYS  29   4.708   9.545  10.209
  251   2HZ   LYS  29          2HZ       LYS  29   4.008   8.468  11.309
  252   3HZ   LYS  29          3HZ       LYS  29   3.050   9.218  10.135
  253    H    GLU  30           H        GLU  30   5.291   3.636   8.230
  254    HA   GLU  30           HA       GLU  30   5.402   1.585   6.116
  255   1HB   GLU  30          2HB       GLU  30   6.383   1.457   8.963
  256   2HB   GLU  30          1HB       GLU  30   6.198   0.036   7.944
  257   1HG   GLU  30          2HG       GLU  30   8.152   0.396   6.977
  258   2HG   GLU  30          1HG       GLU  30   7.703   2.052   6.564
  259    H    ALA  31           H        ALA  31   3.795   0.192   5.935
  260    HA   ALA  31           HA       ALA  31   1.886  -0.173   8.122
  261   1HB   ALA  31          1HB       ALA  31   0.044   0.551   6.999
  262   2HB   ALA  31          2HB       ALA  31   0.707   0.133   5.420
  263   3HB   ALA  31          3HB       ALA  31   1.236   1.604   6.238
  264    H    THR  32           H        THR  32   1.958  -2.314   8.469
  265    HA   THR  32           HA       THR  32   2.583  -4.109   6.277
  266    HB   THR  32           HB       THR  32   2.252  -4.614   9.233
  267    HG1  THR  32           1HG      THR  32   4.218  -3.681   8.784
  268   1HG2  THR  32          1HG2      THR  32   1.515  -6.629   8.216
  269   2HG2  THR  32          2HG2      THR  32   3.209  -6.899   8.631
  270   3HG2  THR  32          3HG2      THR  32   2.756  -6.538   6.965
  271    H    ILE  33           H        ILE  33   1.298  -5.573   5.375
  272    HA   ILE  33           HA       ILE  33  -1.419  -5.937   6.426
  273    HB   ILE  33           HB       ILE  33  -1.036  -5.915   3.466
  274   1HG1  ILE  33          2HG1      ILE  33  -1.993  -3.352   4.436
  275   2HG1  ILE  33          1HG1      ILE  33  -0.349  -3.672   4.985
  276   1HG2  ILE  33          1HG2      ILE  33  -3.132  -6.691   4.421
  277   2HG2  ILE  33          2HG2      ILE  33  -3.378  -5.201   3.511
  278   3HG2  ILE  33          3HG2      ILE  33  -3.328  -5.160   5.274
  279   1HD1  ILE  33          1HD1      ILE  33  -1.040  -2.589   2.581
  280   2HD1  ILE  33          2HD1      ILE  33  -0.776  -4.283   2.169
  281   3HD1  ILE  33          3HD1      ILE  33   0.503  -3.357   2.952
  282    HA   PRO  34           HA       PRO  34   0.376 -10.080   6.069
  283   1HB   PRO  34          2HB       PRO  34  -2.255 -10.801   7.209
  284   2HB   PRO  34          1HB       PRO  34  -0.637 -11.211   7.778
  285   1HG   PRO  34          2HG       PRO  34  -2.136  -9.413   9.059
  286   2HG   PRO  34          1HG       PRO  34  -0.383  -9.196   8.894
  287   1HD   PRO  34          2HD       PRO  34  -2.609  -7.888   7.379
  288   2HD   PRO  34          1HD       PRO  34  -1.091  -7.189   7.982
  289    H    GLY  35           H        GLY  35   0.335 -10.417   3.865
  290   1HA   GLY  35          2HA       GLY  35  -0.400 -11.334   1.893
  291   2HA   GLY  35          1HA       GLY  35  -1.650 -12.131   2.836
  292    H    HIS  36           H        HIS  36  -3.680 -11.162   3.052
  293    HA   HIS  36           HA       HIS  36  -4.370  -8.615   2.109
  294   1HB   HIS  36          2HB       HIS  36  -3.732 -10.025  -0.043
  295   2HB   HIS  36          1HB       HIS  36  -5.370 -10.641   0.154
  296    HD2  HIS  36           2HD      HIS  36  -5.187  -6.976   1.120
  297    HE1  HIS  36           1HE      HIS  36  -6.441  -7.150  -2.917
  298    HE2  HIS  36           2HE      HIS  36  -6.336  -5.713  -0.832
  299    H    LEU  37           H        LEU  37  -5.418  -8.955   4.172
  300    HA   LEU  37           HA       LEU  37  -7.503 -10.882   4.462
  301   1HB   LEU  37          2HB       LEU  37  -8.061  -9.630   6.514
  302   2HB   LEU  37          1HB       LEU  37  -6.364 -10.063   6.416
  303    HG   LEU  37           HG       LEU  37  -6.991  -7.393   5.359
  304   1HD1  LEU  37          1HD1      LEU  37  -7.995  -8.208   7.954
  305   2HD1  LEU  37          2HD1      LEU  37  -8.272  -6.720   7.050
  306   3HD1  LEU  37          3HD1      LEU  37  -6.841  -6.879   8.069
  307   1HD2  LEU  37          1HD2      LEU  37  -5.064  -7.640   7.515
  308   2HD2  LEU  37          2HD2      LEU  37  -4.846  -7.063   5.863
  309   3HD2  LEU  37          3HD2      LEU  37  -4.767  -8.790   6.212
  310    H    ASN  38           H        ASN  38  -7.331  -7.547   3.417
  311    HA   ASN  38           HA       ASN  38  -9.800  -7.663   2.061
  312   1HB   ASN  38          2HB       ASN  38 -11.246  -6.374   3.383
  313   2HB   ASN  38          1HB       ASN  38 -10.502  -7.478   4.536
  314   1HD2  ASN  38          1HD2      ASN  38  -8.046  -6.271   4.875
  315   2HD2  ASN  38          2HD2      ASN  38  -8.267  -4.744   5.656
  316    H    SER  39           H        SER  39 -10.516  -4.986   2.018
  317    HA   SER  39           HA       SER  39  -8.391  -3.900   0.419
  318   1HB   SER  39          2HB       SER  39 -11.212  -3.505   0.679
  319   2HB   SER  39          1HB       SER  39 -10.408  -1.945   0.851
  320    HG   SER  39           HG       SER  39  -9.257  -3.262  -1.152
  321    H    TYR  40           H        TYR  40  -6.751  -2.762   1.182
  322    HA   TYR  40           HA       TYR  40  -7.048  -1.363   3.749
  323   1HB   TYR  40          2HB       TYR  40  -5.165  -3.120   3.178
  324   2HB   TYR  40          1HB       TYR  40  -4.403  -1.738   2.399
  325    HD1  TYR  40           1HD      TYR  40  -4.829  -3.487   5.445
  326    HD2  TYR  40           2HD      TYR  40  -4.161   0.406   3.865
  327    HE1  TYR  40           1HE      TYR  40  -3.939  -2.763   7.620
  328    HE2  TYR  40           2HE      TYR  40  -3.268   1.141   6.034
  329    HH   TYR  40           HH       TYR  40  -2.251   0.156   8.037
  330    H    THR  41           H        THR  41  -7.522   0.724   3.573
  331    HA   THR  41           HA       THR  41  -6.263   2.264   1.395
  332    HB   THR  41           HB       THR  41  -8.607   2.168   0.918
  333    HG1  THR  41           1HG      THR  41  -9.106   4.542   1.560
  334   1HG2  THR  41          1HG2      THR  41  -8.977   2.961   3.803
  335   2HG2  THR  41          2HG2      THR  41  -9.559   1.505   2.995
  336   3HG2  THR  41          3HG2      THR  41 -10.262   3.074   2.600
  337    H    ILE  42           H        ILE  42  -5.169   4.057   1.932
  338    HA   ILE  42           HA       ILE  42  -5.004   4.739   4.774
  339    HB   ILE  42           HB       ILE  42  -3.202   5.422   2.452
  340   1HG1  ILE  42          2HG1      ILE  42  -2.165   4.051   4.847
  341   2HG1  ILE  42          1HG1      ILE  42  -3.336   3.123   3.915
  342   1HG2  ILE  42          1HG2      ILE  42  -2.920   6.229   5.344
  343   2HG2  ILE  42          2HG2      ILE  42  -3.301   7.306   4.000
  344   3HG2  ILE  42          3HG2      ILE  42  -1.731   6.505   4.072
  345   1HD1  ILE  42          1HD1      ILE  42  -1.156   2.566   3.148
  346   2HD1  ILE  42          2HD1      ILE  42  -0.732   4.266   2.950
  347   3HD1  ILE  42          3HD1      ILE  42  -1.940   3.531   1.897
  348    H    LYS  43           H        LYS  43  -6.194   6.380   5.478
  349    HA   LYS  43           HA       LYS  43  -6.711   8.632   3.648
  350   1HB   LYS  43          2HB       LYS  43  -8.525   7.343   5.680
  351   2HB   LYS  43          1HB       LYS  43  -8.827   8.953   5.041
  352   1HG   LYS  43          2HG       LYS  43  -8.468   7.512   2.757
  353   2HG   LYS  43          1HG       LYS  43  -9.242   6.332   3.817
  354   1HD   LYS  43          2HD       LYS  43 -11.173   7.581   4.019
  355   2HD   LYS  43          1HD       LYS  43 -10.355   9.097   3.631
  356   1HE   LYS  43          2HE       LYS  43 -10.106   7.359   1.397
  357   2HE   LYS  43          1HE       LYS  43 -11.796   7.358   1.903
  358   1HZ   LYS  43          1HZ       LYS  43 -10.327   9.897   1.600
  359   2HZ   LYS  43          2HZ       LYS  43 -11.994   9.617   1.534
  360   3HZ   LYS  43          3HZ       LYS  43 -11.004   9.133   0.251
  361    H    GLY  44           H        GLY  44  -6.238  10.636   4.364
  362   1HA   GLY  44          2HA       GLY  44  -6.319  12.059   6.476
  363   2HA   GLY  44          1HA       GLY  44  -5.227  10.847   7.128
  364    H    LEU  45           H        LEU  45  -5.002  11.802   3.798
  365    HA   LEU  45           HA       LEU  45  -2.399  13.025   4.377
  366   1HB   LEU  45          2HB       LEU  45  -3.430  12.234   1.659
  367   2HB   LEU  45          1HB       LEU  45  -1.770  12.527   2.147
  368    HG   LEU  45           HG       LEU  45  -3.127  10.335   3.575
  369   1HD1  LEU  45          1HD1      LEU  45  -2.264   9.040   1.314
  370   2HD1  LEU  45          2HD1      LEU  45  -3.088  10.459   0.669
  371   3HD1  LEU  45          3HD1      LEU  45  -3.944   9.357   1.748
  372   1HD2  LEU  45          1HD2      LEU  45  -0.805   9.357   2.643
  373   2HD2  LEU  45          2HD2      LEU  45  -0.936  10.310   4.121
  374   3HD2  LEU  45          3HD2      LEU  45  -0.441  11.082   2.615
  375    H    LYS  46           H        LYS  46  -1.803  14.739   2.613
  376    HA   LYS  46           HA       LYS  46  -3.899  16.758   2.719
  377   1HB   LYS  46          2HB       LYS  46  -0.945  16.803   2.692
  378   2HB   LYS  46          1HB       LYS  46  -1.738  18.105   1.816
  379   1HG   LYS  46          2HG       LYS  46  -3.107  18.454   3.950
  380   2HG   LYS  46          1HG       LYS  46  -1.891  17.444   4.733
  381   1HD   LYS  46          2HD       LYS  46  -1.117  19.828   3.082
  382   2HD   LYS  46          1HD       LYS  46  -1.563  19.992   4.782
  383   1HE   LYS  46          2HE       LYS  46   0.178  18.095   5.144
  384   2HE   LYS  46          1HE       LYS  46   0.779  18.586   3.560
  385   1HZ   LYS  46          1HZ       LYS  46   0.847  20.024   6.104
  386   2HZ   LYS  46          2HZ       LYS  46   0.653  20.945   4.698
  387   3HZ   LYS  46          3HZ       LYS  46   2.007  19.947   4.875
  388    HA   PRO  47           HA       PRO  47  -4.611  16.076  -1.641
  389   1HB   PRO  47          2HB       PRO  47  -6.213  18.529  -1.528
  390   2HB   PRO  47          1HB       PRO  47  -6.722  16.874  -1.875
  391   1HG   PRO  47          2HG       PRO  47  -7.386  18.126   0.418
  392   2HG   PRO  47          1HG       PRO  47  -7.089  16.378   0.344
  393   1HD   PRO  47          2HD       PRO  47  -5.281  18.569   1.302
  394   2HD   PRO  47          1HD       PRO  47  -5.569  16.960   1.999
  395    H    GLY  48           H        GLY  48  -2.738  18.387  -0.264
  396   1HA   GLY  48          2HA       GLY  48  -2.426  19.979  -2.714
  397   2HA   GLY  48          1HA       GLY  48  -1.799  20.405  -1.129
  398    H    VAL  49           H        VAL  49  -0.721  17.694  -0.676
  399    HA   VAL  49           HA       VAL  49   1.546  17.817  -2.557
  400    HB   VAL  49           HB       VAL  49   2.236  18.583  -0.351
  401   1HG1  VAL  49          1HG1      VAL  49   2.204  16.292   1.240
  402   2HG1  VAL  49          2HG1      VAL  49   0.591  16.391   0.534
  403   3HG1  VAL  49          3HG1      VAL  49   1.238  17.752   1.450
  404   1HG2  VAL  49          1HG2      VAL  49   4.160  17.660  -0.978
  405   2HG2  VAL  49          2HG2      VAL  49   3.340  16.273  -1.693
  406   3HG2  VAL  49          3HG2      VAL  49   3.732  16.275   0.026
  407    H    VAL  50           H        VAL  50   2.157  15.980  -3.541
  408    HA   VAL  50           HA       VAL  50   0.464  13.671  -3.318
  409    HB   VAL  50           HB       VAL  50   2.968  14.063  -4.962
  410   1HG1  VAL  50          1HG1      VAL  50   1.132  11.801  -4.598
  411   2HG1  VAL  50          2HG1      VAL  50   2.796  11.831  -5.178
  412   3HG1  VAL  50          3HG1      VAL  50   1.472  12.219  -6.277
  413   1HG2  VAL  50          1HG2      VAL  50   0.072  14.614  -5.492
  414   2HG2  VAL  50          2HG2      VAL  50   1.183  14.255  -6.813
  415   3HG2  VAL  50          3HG2      VAL  50   1.472  15.649  -5.773
  416    H    TYR  51           H        TYR  51   1.034  11.595  -2.691
  417    HA   TYR  51           HA       TYR  51   3.495  11.389  -1.081
  418   1HB   TYR  51          2HB       TYR  51   0.748  10.236  -0.609
  419   2HB   TYR  51          1HB       TYR  51   2.178   9.635   0.221
  420    HD1  TYR  51           1HD      TYR  51  -0.033  12.553  -0.207
  421    HD2  TYR  51           2HD      TYR  51   3.160  10.851   2.028
  422    HE1  TYR  51           1HE      TYR  51  -0.291  14.314   1.490
  423    HE2  TYR  51           2HE      TYR  51   2.913  12.606   3.731
  424    HH   TYR  51           HH       TYR  51   0.239  14.577   3.961
  425    H    GLU  52           H        GLU  52   4.912  10.224  -2.247
  426    HA   GLU  52           HA       GLU  52   4.046   8.173  -4.076
  427   1HB   GLU  52          2HB       GLU  52   6.472   7.846  -4.475
  428   2HB   GLU  52          1HB       GLU  52   5.966   9.517  -4.679
  429   1HG   GLU  52          2HG       GLU  52   6.933  10.155  -2.611
  430   2HG   GLU  52          1HG       GLU  52   7.197   8.476  -2.143
  431    H    GLY  53           H        GLY  53   3.902   6.040  -3.692
  432   1HA   GLY  53          2HA       GLY  53   5.157   5.002  -1.239
  433   2HA   GLY  53          1HA       GLY  53   3.477   4.652  -1.595
  434    H    GLN  54           H        GLN  54   5.597   2.790  -1.179
  435    HA   GLN  54           HA       GLN  54   5.457   1.366  -3.739
  436   1HB   GLN  54          2HB       GLN  54   7.883   0.826  -2.170
  437   2HB   GLN  54          1HB       GLN  54   7.686   1.030  -3.905
  438   1HG   GLN  54          2HG       GLN  54   7.573   3.479  -3.554
  439   2HG   GLN  54          1HG       GLN  54   7.911   3.213  -1.845
  440   1HE2  GLN  54          1HE2      GLN  54   9.282   1.530  -4.621
  441   2HE2  GLN  54          2HE2      GLN  54  10.913   2.030  -4.349
  442    H    LEU  55           H        LEU  55   4.866  -0.731  -3.567
  443    HA   LEU  55           HA       LEU  55   4.418  -1.762  -0.863
  444   1HB   LEU  55          2HB       LEU  55   2.624  -1.608  -2.773
  445   2HB   LEU  55          1HB       LEU  55   3.384  -3.077  -3.347
  446    HG   LEU  55           HG       LEU  55   2.084  -4.258  -1.984
  447   1HD1  LEU  55          1HD1      LEU  55   3.124  -2.669   0.355
  448   2HD1  LEU  55          2HD1      LEU  55   3.967  -4.033  -0.380
  449   3HD1  LEU  55          3HD1      LEU  55   2.400  -4.276   0.391
  450   1HD2  LEU  55          1HD2      LEU  55   1.123  -1.530  -1.380
  451   2HD2  LEU  55          2HD2      LEU  55   0.631  -2.816  -0.278
  452   3HD2  LEU  55          3HD2      LEU  55   0.252  -2.935  -1.996
  453    H    ILE  56           H        ILE  56   6.113  -2.867  -0.144
  454    HA   ILE  56           HA       ILE  56   7.541  -4.648  -1.991
  455    HB   ILE  56           HB       ILE  56   8.387  -3.567   0.701
  456   1HG1  ILE  56          2HG1      ILE  56  10.242  -2.672  -1.025
  457   2HG1  ILE  56          1HG1      ILE  56   8.863  -2.750  -2.117
  458   1HG2  ILE  56          1HG2      ILE  56   9.207  -5.877   0.159
  459   2HG2  ILE  56          2HG2      ILE  56  10.470  -4.673   0.408
  460   3HG2  ILE  56          3HG2      ILE  56  10.044  -5.179  -1.227
  461   1HD1  ILE  56          1HD1      ILE  56   8.841  -0.571  -1.304
  462   2HD1  ILE  56          2HD1      ILE  56   9.219  -1.081   0.342
  463   3HD1  ILE  56          3HD1      ILE  56   7.621  -1.399  -0.335
  464    H    SER  57           H        SER  57   6.937  -6.699  -1.921
  465    HA   SER  57           HA       SER  57   5.590  -7.767   0.409
  466   1HB   SER  57          2HB       SER  57   6.281  -9.549  -1.861
  467   2HB   SER  57          1HB       SER  57   4.766  -9.386  -0.970
  468    HG   SER  57           HG       SER  57   4.636  -8.599  -3.135
  469    H    ILE  58           H        ILE  58   6.618  -8.705   2.006
  470    HA   ILE  58           HA       ILE  58   9.296  -9.825   1.514
  471    HB   ILE  58           HB       ILE  58   8.079  -8.679   4.023
  472   1HG1  ILE  58          2HG1      ILE  58  10.749  -7.880   3.023
  473   2HG1  ILE  58          1HG1      ILE  58   9.381  -7.412   2.019
  474   1HG2  ILE  58          1HG2      ILE  58   9.323 -10.080   5.221
  475   2HG2  ILE  58          2HG2      ILE  58  10.748  -9.296   4.540
  476   3HG2  ILE  58          3HG2      ILE  58  10.082 -10.737   3.771
  477   1HD1  ILE  58          1HD1      ILE  58   8.365  -6.376   4.061
  478   2HD1  ILE  58          2HD1      ILE  58   9.843  -5.610   3.477
  479   3HD1  ILE  58          3HD1      ILE  58   9.898  -6.673   4.883
  480    H    GLN  59           H        GLN  59   9.281 -11.951   1.311
  481    HA   GLN  59           HA       GLN  59   7.238 -13.562   2.613
  482   1HB   GLN  59          2HB       GLN  59   9.035 -13.862   0.325
  483   2HB   GLN  59          1HB       GLN  59   8.949 -15.306   1.322
  484   1HG   GLN  59          2HG       GLN  59   6.430 -13.954   0.489
  485   2HG   GLN  59          1HG       GLN  59   7.301 -14.962  -0.665
  486   1HE2  GLN  59          1HE2      GLN  59   6.171 -15.042   2.699
  487   2HE2  GLN  59          2HE2      GLN  59   5.663 -16.693   2.669
  488    H    GLN  60           H        GLN  60   8.319 -15.867   3.272
  489    HA   GLN  60           HA       GLN  60   9.720 -15.320   5.678
  490   1HB   GLN  60          2HB       GLN  60   9.472 -18.020   4.356
  491   2HB   GLN  60          1HB       GLN  60   9.668 -17.673   6.068
  492   1HG   GLN  60          2HG       GLN  60   7.394 -16.386   5.707
  493   2HG   GLN  60          1HG       GLN  60   7.246 -17.518   4.364
  494   1HE2  GLN  60          1HE2      GLN  60   8.651 -19.661   5.625
  495   2HE2  GLN  60          2HE2      GLN  60   7.626 -20.286   6.866
  496    H    TYR  61           H        TYR  61  10.742 -15.711   2.478
  497    HA   TYR  61           HA       TYR  61  13.456 -16.490   3.271
  498   1HB   TYR  61          2HB       TYR  61  12.079 -16.393   0.585
  499   2HB   TYR  61          1HB       TYR  61  13.805 -16.686   0.767
  500    HD1  TYR  61           1HD      TYR  61  10.527 -17.997   1.997
  501    HD2  TYR  61           2HD      TYR  61  14.545 -18.871   0.912
  502    HE1  TYR  61           1HE      TYR  61  10.081 -20.396   2.303
  503    HE2  TYR  61           2HE      TYR  61  14.111 -21.273   1.214
  504    HH   TYR  61           HH       TYR  61  12.652 -22.787   2.084
  505    H    GLY  62           H        GLY  62  11.732 -13.748   2.991
  506   1HA   GLY  62          2HA       GLY  62  12.947 -11.660   3.352
  507   2HA   GLY  62          1HA       GLY  62  14.100 -12.202   2.143
  508    H    HIS  63           H        HIS  63  13.261  -9.785   1.666
  509    HA   HIS  63           HA       HIS  63  10.815  -9.401   0.372
  510   1HB   HIS  63          2HB       HIS  63  11.892  -7.438  -0.689
  511   2HB   HIS  63          1HB       HIS  63  12.204  -7.523   1.040
  512    HD2  HIS  63           2HD      HIS  63  14.285  -5.788  -0.550
  513    HE1  HIS  63           1HE      HIS  63  16.773  -9.210  -0.478
  514    HE2  HIS  63           2HE      HIS  63  16.667  -6.725  -0.968
  515    H    GLN  64           H        GLN  64  10.166  -9.519  -1.782
  516    HA   GLN  64           HA       GLN  64  12.017 -10.461  -3.796
  517   1HB   GLN  64          2HB       GLN  64  10.016 -12.301  -4.186
  518   2HB   GLN  64          1HB       GLN  64  11.581 -12.633  -3.461
  519   1HG   GLN  64          2HG       GLN  64  10.469 -12.018  -1.238
  520   2HG   GLN  64          1HG       GLN  64   8.943 -12.190  -2.107
  521   1HE2  GLN  64          1HE2      GLN  64  11.909 -13.871  -1.220
  522   2HE2  GLN  64          2HE2      GLN  64  11.235 -15.462  -1.259
  523    H    GLU  65           H        GLU  65   9.541  -8.540  -2.956
  524    HA   GLU  65           HA       GLU  65   8.737  -8.198  -5.742
  525   1HB   GLU  65          2HB       GLU  65   7.107  -9.553  -3.948
  526   2HB   GLU  65          1HB       GLU  65   6.447  -7.924  -3.971
  527   1HG   GLU  65          2HG       GLU  65   6.387  -8.085  -6.472
  528   2HG   GLU  65          1HG       GLU  65   6.811  -9.788  -6.301
  529    H    VAL  66           H        VAL  66   8.649  -6.120  -6.314
  530    HA   VAL  66           HA       VAL  66   8.164  -4.094  -4.247
  531    HB   VAL  66           HB       VAL  66  10.300  -3.760  -6.352
  532   1HG1  VAL  66          1HG1      VAL  66   9.431  -1.658  -5.675
  533   2HG1  VAL  66          2HG1      VAL  66  10.956  -1.871  -4.814
  534   3HG1  VAL  66          3HG1      VAL  66   9.427  -2.131  -3.975
  535   1HG2  VAL  66          1HG2      VAL  66  11.358  -5.302  -5.034
  536   2HG2  VAL  66          2HG2      VAL  66  10.430  -4.874  -3.596
  537   3HG2  VAL  66          3HG2      VAL  66  11.746  -3.832  -4.139
  538    H    THR  67           H        THR  67   6.757  -2.557  -4.846
  539    HA   THR  67           HA       THR  67   6.251  -2.121  -7.707
  540    HB   THR  67           HB       THR  67   3.872  -2.041  -5.939
  541    HG1  THR  67           1HG      THR  67   4.921  -4.017  -5.335
  542   1HG2  THR  67          1HG2      THR  67   4.542  -2.556  -8.780
  543   2HG2  THR  67          2HG2      THR  67   3.213  -1.633  -8.078
  544   3HG2  THR  67          3HG2      THR  67   3.133  -3.394  -8.131
  545    H    ARG  68           H        ARG  68   6.349  -0.014  -8.186
  546    HA   ARG  68           HA       ARG  68   6.095   1.917  -5.991
  547   1HB   ARG  68          2HB       ARG  68   7.256   2.379  -8.739
  548   2HB   ARG  68          1HB       ARG  68   7.371   3.446  -7.344
  549   1HG   ARG  68          2HG       ARG  68   8.725   1.803  -6.173
  550   2HG   ARG  68          1HG       ARG  68   8.581   0.694  -7.537
  551   1HD   ARG  68          2HD       ARG  68   9.896   3.409  -7.573
  552   2HD   ARG  68          1HD       ARG  68  10.721   1.851  -7.580
  553    HE   ARG  68           HE       ARG  68   8.867   2.322  -9.761
  554   1HH1  ARG  68          1HH1      ARG  68  12.167   2.404  -8.639
  555   2HH1  ARG  68          2HH1      ARG  68  12.845   2.375 -10.233
  556   1HH2  ARG  68          1HH2      ARG  68   9.754   2.284 -11.864
  557   2HH2  ARG  68          2HH2      ARG  68  11.474   2.307 -12.064
  558    H    PHE  69           H        PHE  69   4.591   3.474  -5.965
  559    HA   PHE  69           HA       PHE  69   3.063   4.161  -8.321
  560   1HB   PHE  69          2HB       PHE  69   0.883   3.688  -7.003
  561   2HB   PHE  69          1HB       PHE  69   1.699   2.340  -7.791
  562    HD1  PHE  69           1HD      PHE  69   1.566   4.101  -4.504
  563    HD2  PHE  69           2HD      PHE  69   2.099   0.423  -6.580
  564    HE1  PHE  69           1HE      PHE  69   1.658   2.906  -2.355
  565    HE2  PHE  69           2HE      PHE  69   2.189  -0.778  -4.433
  566    HZ   PHE  69           HZ       PHE  69   1.968   0.463  -2.318
  567    H    ASP  70           H        ASP  70   1.701   6.009  -8.016
  568    HA   ASP  70           HA       ASP  70   2.494   7.632  -5.691
  569   1HB   ASP  70          2HB       ASP  70   1.604   8.412  -8.474
  570   2HB   ASP  70          1HB       ASP  70   1.733   9.570  -7.153
  571    H    PHE  71           H        PHE  71   0.941   8.376  -4.300
  572    HA   PHE  71           HA       PHE  71  -1.847   8.326  -5.112
  573   1HB   PHE  71          2HB       PHE  71  -2.572   6.598  -3.821
  574   2HB   PHE  71          1HB       PHE  71  -0.928   6.029  -4.087
  575    HD1  PHE  71           1HD      PHE  71   0.819   6.564  -2.310
  576    HD2  PHE  71           2HD      PHE  71  -3.370   6.984  -1.669
  577    HE1  PHE  71           1HE      PHE  71   1.189   6.521   0.121
  578    HE2  PHE  71           2HE      PHE  71  -3.005   6.946   0.763
  579    HZ   PHE  71           HZ       PHE  71  -0.723   6.712   1.661
  580    H    THR  72           H        THR  72  -3.273   9.396  -3.685
  581    HA   THR  72           HA       THR  72  -2.173  10.773  -1.378
  582    HB   THR  72           HB       THR  72  -3.662  12.735  -2.835
  583    HG1  THR  72           1HG      THR  72  -2.620  11.283  -4.579
  584   1HG2  THR  72          1HG2      THR  72  -1.859  14.115  -2.303
  585   2HG2  THR  72          2HG2      THR  72  -0.701  12.784  -2.363
  586   3HG2  THR  72          3HG2      THR  72  -1.838  12.905  -1.019
  587    H    THR  73           H        THR  73  -3.936  12.023  -0.229
  588    HA   THR  73           HA       THR  73  -6.030  10.416   0.496
  589    HB   THR  73           HB       THR  73  -5.620  12.212   1.932
  590    HG1  THR  73           1HG      THR  73  -7.876  13.399   0.818
  591   1HG2  THR  73          1HG2      THR  73  -5.105  14.332   1.334
  592   2HG2  THR  73          2HG2      THR  73  -6.352  14.397   0.089
  593   3HG2  THR  73          3HG2      THR  73  -4.818  13.594  -0.241
  594    H    THR  74           H        THR  74  -6.123  13.023  -1.927
  595    HA   THR  74           HA       THR  74  -8.069  11.668  -3.496
  596    HB   THR  74           HB       THR  74  -9.629  12.403  -1.804
  597    HG1  THR  74           1HG      THR  74 -10.940  12.856  -3.391
  598   1HG2  THR  74          1HG2      THR  74  -8.145  14.956  -2.053
  599   2HG2  THR  74          2HG2      THR  74  -8.861  14.195  -0.633
  600   3HG2  THR  74          3HG2      THR  74  -9.883  15.067  -1.776
  601    H    SER  75           H        SER  75  -5.637  12.597  -4.198
  602    HA   SER  75           HA       SER  75  -6.318  14.695  -6.116
  603   1HB   SER  75          2HB       SER  75  -5.222  15.787  -4.149
  604   2HB   SER  75          1HB       SER  75  -3.794  14.796  -4.447
  605    HG   SER  75           HG       SER  75  -3.789  15.760  -6.596
  606    H    THR  76           H        THR  76  -4.423  11.976  -5.140
  607    HA   THR  76           HA       THR  76  -3.033  10.547  -6.227
  608    HB   THR  76           HB       THR  76  -4.169  11.264  -8.883
  609    HG1  THR  76           1HG      THR  76  -5.684   9.952  -6.853
  610   1HG2  THR  76          1HG2      THR  76  -4.220   8.537  -7.714
  611   2HG2  THR  76          2HG2      THR  76  -2.639   9.236  -8.060
  612   3HG2  THR  76          3HG2      THR  76  -3.826   9.060  -9.352
  613    H    SER  77           H        SER  77  -3.195  12.300  -9.223
  614    HA   SER  77           HA       SER  77  -0.833  13.861  -8.740
  615   1HB   SER  77          2HB       SER  77  -0.456  11.201  -9.564
  616   2HB   SER  77          1HB       SER  77  -0.198  12.183 -11.005
  617    HG   SER  77           HG       SER  77   1.141  12.321  -8.520
  618    H    THR  78           H        THR  78  -1.452  12.468 -11.881
  619    HA   THR  78           HA       THR  78  -3.226  14.536 -12.757
  620    HB   THR  78           HB       THR  78  -0.851  14.756 -14.427
  621    HG1  THR  78           1HG      THR  78   0.564  15.355 -12.965
  622   1HG2  THR  78          1HG2      THR  78  -3.021  16.193 -14.224
  623   2HG2  THR  78          2HG2      THR  78  -1.479  16.978 -14.557
  624   3HG2  THR  78          3HG2      THR  78  -2.142  16.995 -12.923
  625    HA   PRO  79           HA       PRO  79  -2.005  11.667 -16.501
  626   1HB   PRO  79          2HB       PRO  79  -0.565   9.434 -15.820
  627   2HB   PRO  79          1HB       PRO  79   0.152  10.917 -16.458
  628   1HG   PRO  79          2HG       PRO  79  -0.055   9.974 -13.628
  629   2HG   PRO  79          1HG       PRO  79   1.305  10.762 -14.451
  630   1HD   PRO  79          2HD       PRO  79  -0.333  12.111 -12.797
  631   2HD   PRO  79          1HD       PRO  79   0.377  12.869 -14.235
  632    H    GLY  80           H        GLY  80  -3.686  10.433 -17.053
  633   1HA   GLY  80          2HA       GLY  80  -5.192   9.078 -14.978
  634   2HA   GLY  80          1HA       GLY  80  -5.680   9.296 -16.652
  635    H    SER  81           H        SER  81  -3.092   8.205 -17.624
  636    HA   SER  81           HA       SER  81  -3.048   5.469 -16.695
  637   1HB   SER  81          2HB       SER  81  -4.797   6.140 -18.795
  638   2HB   SER  81          1HB       SER  81  -3.416   5.349 -19.556
  639    HG   SER  81           HG       SER  81  -3.789   3.543 -18.382
  640    H    ARG  82           H        ARG  82  -1.177   4.401 -17.229
  641    HA   ARG  82           HA       ARG  82   0.805   5.974 -18.737
  642   1HB   ARG  82          2HB       ARG  82   2.441   4.458 -17.381
  643   2HB   ARG  82          1HB       ARG  82   1.699   5.851 -16.604
  644   1HG   ARG  82          2HG       ARG  82   0.202   4.518 -15.390
  645   2HG   ARG  82          1HG       ARG  82   0.499   3.109 -16.410
  646   1HD   ARG  82          2HD       ARG  82   1.588   3.278 -14.040
  647   2HD   ARG  82          1HD       ARG  82   2.508   2.632 -15.398
  648    HE   ARG  82           HE       ARG  82   2.756   5.470 -14.698
  649   1HH1  ARG  82          1HH1      ARG  82   4.156   2.290 -14.975
  650   2HH1  ARG  82          2HH1      ARG  82   5.785   2.851 -14.792
  651   1HH2  ARG  82          1HH2      ARG  82   4.897   6.217 -14.460
  652   2HH2  ARG  82          2HH2      ARG  82   6.206   5.083 -14.500
  653    H    SER  83           H        SER  83  -0.705   4.610 -20.374
  654    HA   SER  83           HA       SER  83  -0.777   3.018 -21.995
  655   1HB   SER  83          2HB       SER  83   2.034   2.170 -21.601
  656   2HB   SER  83          1HB       SER  83   1.203   2.680 -23.070
  657    HG   SER  83           HG       SER  83   1.708   4.715 -22.673
  658    H    HIS  84           H        HIS  84  -2.060   1.935 -20.176
  659    HA   HIS  84           HA       HIS  84  -0.789  -0.437 -19.075
  660   1HB   HIS  84          2HB       HIS  84  -2.921   1.242 -18.284
  661   2HB   HIS  84          1HB       HIS  84  -3.623  -0.340 -18.598
  662    HD2  HIS  84           2HD      HIS  84  -0.058  -0.113 -17.054
  663    HE1  HIS  84           1HE      HIS  84  -2.777  -1.433 -14.091
  664    HE2  HIS  84           2HE      HIS  84  -0.330  -1.213 -14.720
  665    H    HIS  85           H        HIS  85  -0.808  -0.566 -21.801
  666    HA   HIS  85           HA       HIS  85  -1.309  -1.946 -23.531
  667   1HB   HIS  85          2HB       HIS  85  -2.431  -3.524 -21.231
  668   2HB   HIS  85          1HB       HIS  85  -2.591  -4.100 -22.887
  669    HD2  HIS  85           2HD      HIS  85   0.471  -3.319 -23.865
  670    HE1  HIS  85           1HE      HIS  85   1.555  -5.945 -20.727
  671    HE2  HIS  85           2HE      HIS  85   2.291  -4.910 -22.922
  672    H    HIS  86           H        HIS  86  -2.636  -1.161 -25.012
  673    HA   HIS  86           HA       HIS  86  -5.186  -0.098 -24.510
  674   1HB   HIS  86          2HB       HIS  86  -3.424  -0.175 -26.668
  675   2HB   HIS  86          1HB       HIS  86  -4.861  -1.011 -27.249
  676    HD2  HIS  86           2HD      HIS  86  -4.328   2.391 -25.291
  677    HE1  HIS  86           1HE      HIS  86  -7.185   2.882 -28.373
  678    HE2  HIS  86           2HE      HIS  86  -5.787   4.071 -26.624
  679    H    HIS  87           H        HIS  87  -4.151  -3.329 -24.962
  680    HA   HIS  87           HA       HIS  87  -6.937  -4.199 -25.358
  681   1HB   HIS  87          2HB       HIS  87  -4.368  -5.626 -26.072
  682   2HB   HIS  87          1HB       HIS  87  -5.978  -6.319 -26.235
  683    HD2  HIS  87           2HD      HIS  87  -4.232  -6.005 -28.906
  684    HE1  HIS  87           1HE      HIS  87  -6.718  -2.666 -29.668
  685    HE2  HIS  87           2HE      HIS  87  -5.259  -4.457 -30.715
  686    H    HIS  88           H        HIS  88  -7.818  -5.698 -23.988
  687    HA   HIS  88           HA       HIS  88  -6.136  -6.778 -21.847
  688   1HB   HIS  88          2HB       HIS  88  -7.765  -4.587 -21.426
  689   2HB   HIS  88          1HB       HIS  88  -8.767  -5.931 -20.891
  690    HD2  HIS  88           2HD      HIS  88  -4.936  -5.170 -20.242
  691    HE1  HIS  88           1HE      HIS  88  -6.916  -6.035 -16.603
  692    HE2  HIS  88           2HE      HIS  88  -4.669  -5.604 -17.698
  693    H    HIS  89           H        HIS  89  -6.331  -8.900 -22.139
  694    HA   HIS  89           HA       HIS  89  -9.038 -10.027 -22.316
  695   1HB   HIS  89          2HB       HIS  89  -7.824 -10.008 -24.552
  696   2HB   HIS  89          1HB       HIS  89  -6.697 -11.161 -23.846
  697    HD2  HIS  89           2HD      HIS  89  -7.836 -12.768 -26.018
  698    HE1  HIS  89           1HE      HIS  89 -11.205 -13.723 -23.640
  699    HE2  HIS  89           2HE      HIS  89  -9.787 -14.431 -25.619
  Start of MODEL   24
    1   1H    MET   1          1HT       MET   1 -24.966  -2.711  -6.777
    2   2H    MET   1          2HT       MET   1 -24.274  -1.168  -6.793
    3   3H    MET   1          3HT       MET   1 -25.759  -1.422  -6.023
    4    HA   MET   1           HA       MET   1 -24.150  -1.268  -4.325
    5   1HB   MET   1          2HB       MET   1 -24.486  -4.231  -4.660
    6   2HB   MET   1          1HB       MET   1 -24.609  -3.261  -3.198
    7   1HG   MET   1          2HG       MET   1 -26.626  -2.329  -4.896
    8   2HG   MET   1          1HG       MET   1 -26.662  -4.087  -5.024
    9   1HE   MET   1          1HE       MET   1 -29.587  -3.427  -2.576
   10   2HE   MET   1          2HE       MET   1 -29.101  -3.694  -4.250
   11   3HE   MET   1          3HE       MET   1 -29.082  -2.065  -3.576
   12    H    ARG   2           H        ARG   2 -22.461  -3.169  -3.334
   13    HA   ARG   2           HA       ARG   2 -20.371  -3.545  -5.356
   14   1HB   ARG   2          2HB       ARG   2 -20.289  -1.706  -3.102
   15   2HB   ARG   2          1HB       ARG   2 -18.967  -2.865  -3.055
   16   1HG   ARG   2          2HG       ARG   2 -17.945  -1.345  -4.351
   17   2HG   ARG   2          1HG       ARG   2 -18.853  -2.136  -5.641
   18   1HD   ARG   2          2HD       ARG   2 -18.976   0.382  -5.602
   19   2HD   ARG   2          1HD       ARG   2 -20.525  -0.461  -5.618
   20    HE   ARG   2           HE       ARG   2 -20.160  -0.074  -3.002
   21   1HH1  ARG   2          1HH1      ARG   2 -19.798   2.101  -5.702
   22   2HH1  ARG   2          2HH1      ARG   2 -20.230   3.509  -4.790
   23   1HH2  ARG   2          1HH2      ARG   2 -20.733   1.774  -1.797
   24   2HH2  ARG   2          2HH2      ARG   2 -20.762   3.323  -2.572
   25    H    GLY   3           H        GLY   3 -19.482  -5.508  -5.269
   26   1HA   GLY   3          2HA       GLY   3 -18.808  -6.921  -2.951
   27   2HA   GLY   3          1HA       GLY   3 -20.398  -7.470  -3.461
   28    H    SER   4           H        SER   4 -17.052  -7.761  -3.906
   29    HA   SER   4           HA       SER   4 -17.458  -9.850  -5.873
   30   1HB   SER   4          2HB       SER   4 -17.143  -8.099  -7.431
   31   2HB   SER   4          1HB       SER   4 -15.879  -7.348  -6.457
   32    HG   SER   4           HG       SER   4 -14.532  -8.483  -7.582
   33    H    ASN   5           H        ASN   5 -16.041 -11.485  -5.618
   34    HA   ASN   5           HA       ASN   5 -13.862 -11.065  -3.684
   35   1HB   ASN   5          2HB       ASN   5 -14.060 -13.690  -3.597
   36   2HB   ASN   5          1HB       ASN   5 -15.176 -12.676  -2.686
   37   1HD2  ASN   5          1HD2      ASN   5 -14.813 -14.962  -5.200
   38   2HD2  ASN   5          2HD2      ASN   5 -16.481 -15.091  -5.631
   39    H    ALA   6           H        ALA   6 -12.021 -12.677  -3.972
   40    HA   ALA   6           HA       ALA   6 -11.477 -13.352  -6.756
   41   1HB   ALA   6          1HB       ALA   6 -10.408 -11.363  -6.969
   42   2HB   ALA   6          2HB       ALA   6  -9.094 -12.273  -6.222
   43   3HB   ALA   6          3HB       ALA   6 -10.104 -11.214  -5.238
   44    HA   PRO   7           HA       PRO   7  -9.998 -16.990  -4.627
   45   1HB   PRO   7          2HB       PRO   7  -8.617 -17.444  -7.217
   46   2HB   PRO   7          1HB       PRO   7  -9.700 -18.510  -6.316
   47   1HG   PRO   7          2HG       PRO   7 -10.537 -17.273  -8.520
   48   2HG   PRO   7          1HG       PRO   7 -11.610 -17.466  -7.120
   49   1HD   PRO   7          2HD       PRO   7 -10.108 -15.048  -8.041
   50   2HD   PRO   7          1HD       PRO   7 -11.746 -15.169  -7.361
   51    H    GLN   8           H        GLN   8  -8.246 -17.342  -3.411
   52    HA   GLN   8           HA       GLN   8  -5.668 -16.221  -4.269
   53   1HB   GLN   8          2HB       GLN   8  -6.632 -16.111  -1.413
   54   2HB   GLN   8          1HB       GLN   8  -5.211 -15.337  -2.099
   55   1HG   GLN   8          2HG       GLN   8  -7.433 -14.400  -3.555
   56   2HG   GLN   8          1HG       GLN   8  -7.865 -14.331  -1.846
   57   1HE2  GLN   8          1HE2      GLN   8  -7.307 -12.194  -3.789
   58   2HE2  GLN   8          2HE2      GLN   8  -6.043 -11.247  -3.089
   59    HA   PRO   9           HA       PRO   9  -4.897 -20.594  -3.281
   60   1HB   PRO   9          2HB       PRO   9  -2.566 -20.754  -4.662
   61   2HB   PRO   9          1HB       PRO   9  -4.150 -20.878  -5.437
   62   1HG   PRO   9          2HG       PRO   9  -2.318 -18.515  -5.235
   63   2HG   PRO   9          1HG       PRO   9  -3.236 -19.101  -6.636
   64   1HD   PRO   9          2HD       PRO   9  -4.077 -17.024  -5.125
   65   2HD   PRO   9          1HD       PRO   9  -5.208 -18.151  -5.899
   66    H    SER  10           H        SER  10  -2.308 -18.137  -3.330
   67    HA   SER  10           HA       SER  10  -1.464 -19.091  -0.682
   68   1HB   SER  10          2HB       SER  10   0.300 -18.589  -3.083
   69   2HB   SER  10          1HB       SER  10   0.927 -18.645  -1.436
   70    HG   SER  10           HG       SER  10   0.853 -20.732  -1.543
   71    H    HIS  11           H        HIS  11   0.253 -17.447   0.210
   72    HA   HIS  11           HA       HIS  11  -0.226 -14.712  -0.603
   73   1HB   HIS  11          2HB       HIS  11  -0.845 -14.143   1.849
   74   2HB   HIS  11          1HB       HIS  11  -2.095 -14.783   0.788
   75    HD2  HIS  11           2HD      HIS  11   0.126 -15.963   3.793
   76    HE1  HIS  11           1HE      HIS  11  -3.157 -18.591   3.319
   77    HE2  HIS  11           2HE      HIS  11  -1.273 -17.872   4.855
   78    H    ILE  12           H        ILE  12   1.276 -13.249   0.207
   79    HA   ILE  12           HA       ILE  12   3.814 -14.346   0.885
   80    HB   ILE  12           HB       ILE  12   3.781 -12.361  -0.440
   81   1HG1  ILE  12          2HG1      ILE  12   4.696 -10.846   1.833
   82   2HG1  ILE  12          1HG1      ILE  12   5.207 -12.524   1.995
   83   1HG2  ILE  12          1HG2      ILE  12   2.455 -10.576  -0.125
   84   2HG2  ILE  12          2HG2      ILE  12   2.730 -10.548   1.617
   85   3HG2  ILE  12          3HG2      ILE  12   1.554 -11.668   0.928
   86   1HD1  ILE  12          1HD1      ILE  12   6.796 -12.247   0.486
   87   2HD1  ILE  12          2HD1      ILE  12   6.418 -10.525   0.494
   88   3HD1  ILE  12          3HD1      ILE  12   5.650 -11.591  -0.682
   89    H    SER  13           H        SER  13   5.061 -13.914   2.789
   90    HA   SER  13           HA       SER  13   3.815 -14.466   5.195
   91   1HB   SER  13          2HB       SER  13   6.459 -13.102   4.643
   92   2HB   SER  13          1HB       SER  13   5.946 -13.606   6.252
   93    HG   SER  13           HG       SER  13   5.604 -15.655   4.600
   94    H    LYS  14           H        LYS  14   4.670 -11.330   3.783
   95    HA   LYS  14           HA       LYS  14   2.563  -9.994   5.109
   96   1HB   LYS  14          2HB       LYS  14   3.700  -8.673   6.720
   97   2HB   LYS  14          1HB       LYS  14   4.178 -10.338   7.014
   98   1HG   LYS  14          2HG       LYS  14   6.135  -9.536   5.324
   99   2HG   LYS  14          1HG       LYS  14   5.781  -8.032   6.177
  100   1HD   LYS  14          2HD       LYS  14   5.841  -9.774   8.245
  101   2HD   LYS  14          1HD       LYS  14   7.009 -10.526   7.155
  102   1HE   LYS  14          2HE       LYS  14   8.218  -8.393   7.007
  103   2HE   LYS  14          1HE       LYS  14   7.065  -7.670   8.128
  104   1HZ   LYS  14          1HZ       LYS  14   7.796  -9.665   9.619
  105   2HZ   LYS  14          2HZ       LYS  14   8.744  -8.266   9.538
  106   3HZ   LYS  14          3HZ       LYS  14   9.181  -9.635   8.646
  107    H    TYR  15           H        TYR  15   2.289  -7.865   4.436
  108    HA   TYR  15           HA       TYR  15   3.970  -7.044   2.163
  109   1HB   TYR  15          2HB       TYR  15   1.109  -7.124   2.606
  110   2HB   TYR  15          1HB       TYR  15   1.618  -5.483   2.236
  111    HD1  TYR  15           1HD      TYR  15   0.263  -8.235   0.791
  112    HD2  TYR  15           2HD      TYR  15   3.534  -5.581   0.201
  113    HE1  TYR  15           1HE      TYR  15   0.258  -8.771  -1.609
  114    HE2  TYR  15           2HE      TYR  15   3.540  -6.110  -2.199
  115    HH   TYR  15           HH       TYR  15   0.994  -7.828  -3.709
  116    H    ILE  16           H        ILE  16   5.042  -5.098   2.255
  117    HA   ILE  16           HA       ILE  16   4.557  -3.445   4.649
  118    HB   ILE  16           HB       ILE  16   7.088  -4.168   3.233
  119   1HG1  ILE  16          2HG1      ILE  16   6.199  -5.204   5.408
  120   2HG1  ILE  16          1HG1      ILE  16   7.874  -4.660   5.400
  121   1HG2  ILE  16          1HG2      ILE  16   6.452  -1.499   4.353
  122   2HG2  ILE  16          2HG2      ILE  16   7.584  -1.957   3.080
  123   3HG2  ILE  16          3HG2      ILE  16   8.020  -2.189   4.772
  124   1HD1  ILE  16          1HD1      ILE  16   5.961  -2.636   6.292
  125   2HD1  ILE  16          2HD1      ILE  16   7.504  -3.132   6.988
  126   3HD1  ILE  16          3HD1      ILE  16   6.046  -4.069   7.317
  127    H    LEU  17           H        LEU  17   3.680  -1.539   4.276
  128    HA   LEU  17           HA       LEU  17   3.931  -0.352   1.603
  129   1HB   LEU  17          2HB       LEU  17   1.705  -0.798   3.148
  130   2HB   LEU  17          1HB       LEU  17   2.067   0.881   3.502
  131    HG   LEU  17           HG       LEU  17   2.089   0.192   0.639
  132   1HD1  LEU  17          1HD1      LEU  17  -0.087  -0.349   0.342
  133   2HD1  LEU  17          2HD1      LEU  17  -0.621   0.555   1.758
  134   3HD1  LEU  17          3HD1      LEU  17   0.112  -1.037   1.953
  135   1HD2  LEU  17          1HD2      LEU  17   0.822   2.316   0.536
  136   2HD2  LEU  17          2HD2      LEU  17   2.368   2.472   1.370
  137   3HD2  LEU  17          3HD2      LEU  17   0.870   2.396   2.298
  138    H    ARG  18           H        ARG  18   5.446   1.148   1.431
  139    HA   ARG  18           HA       ARG  18   5.988   2.877   3.750
  140   1HB   ARG  18          2HB       ARG  18   7.883   2.131   1.517
  141   2HB   ARG  18          1HB       ARG  18   8.266   3.131   2.911
  142   1HG   ARG  18          2HG       ARG  18   8.485   1.360   4.295
  143   2HG   ARG  18          1HG       ARG  18   7.220   0.433   3.485
  144   1HD   ARG  18          2HD       ARG  18   8.860  -0.774   2.580
  145   2HD   ARG  18          1HD       ARG  18   9.202   0.633   1.575
  146    HE   ARG  18           HE       ARG  18  10.778   1.291   3.431
  147   1HH1  ARG  18          1HH1      ARG  18   9.952  -2.032   2.781
  148   2HH1  ARG  18          2HH1      ARG  18  11.438  -2.659   3.412
  149   1HH2  ARG  18          1HH2      ARG  18  12.740   0.472   4.260
  150   2HH2  ARG  18          2HH2      ARG  18  13.022  -1.237   4.252
  151    H    TRP  19           H        TRP  19   5.670   5.007   3.503
  152    HA   TRP  19           HA       TRP  19   5.864   6.229   0.896
  153   1HB   TRP  19          2HB       TRP  19   3.628   7.047   0.747
  154   2HB   TRP  19          1HB       TRP  19   3.529   5.311   1.013
  155    HD1  TRP  19           HD       TRP  19   2.436   8.595   2.453
  156    HE1  TRP  19           1HE      TRP  19   1.040   8.190   4.577
  157    HE3  TRP  19           3HE      TRP  19   3.382   3.615   3.110
  158    HZ2  TRP  19           2HZ      TRP  19   0.421   6.043   6.303
  159    HZ3  TRP  19           3HZ      TRP  19   2.349   2.459   5.021
  160    HH2  TRP  19           HH       TRP  19   0.899   3.649   6.583
  161    H    ARG  20           H        ARG  20   5.695   8.537   0.946
  162    HA   ARG  20           HA       ARG  20   5.639   9.941   3.450
  163   1HB   ARG  20          2HB       ARG  20   7.848  10.376   3.774
  164   2HB   ARG  20          1HB       ARG  20   8.056   8.862   2.908
  165   1HG   ARG  20          2HG       ARG  20   7.902  10.804   0.919
  166   2HG   ARG  20          1HG       ARG  20   8.892  11.524   2.190
  167   1HD   ARG  20          2HD       ARG  20  10.621  10.244   1.635
  168   2HD   ARG  20          1HD       ARG  20   9.643   8.784   1.793
  169    HE   ARG  20           HE       ARG  20   8.924   9.234  -0.554
  170   1HH1  ARG  20          1HH1      ARG  20  11.945  10.488   0.649
  171   2HH1  ARG  20          2HH1      ARG  20  12.684  10.562  -0.915
  172   1HH2  ARG  20          1HH2      ARG  20   9.886   9.329  -2.614
  173   2HH2  ARG  20          2HH2      ARG  20  11.513   9.902  -2.771
  174    HA   PRO  21           HA       PRO  21   4.362  13.331   0.922
  175   1HB   PRO  21          2HB       PRO  21   6.485  15.054   2.081
  176   2HB   PRO  21          1HB       PRO  21   4.735  15.295   2.047
  177   1HG   PRO  21          2HG       PRO  21   5.975  14.594   4.301
  178   2HG   PRO  21          1HG       PRO  21   4.379  13.936   3.891
  179   1HD   PRO  21          2HD       PRO  21   7.070  12.647   3.694
  180   2HD   PRO  21          1HD       PRO  21   5.515  11.943   4.182
  181    H    LYS  22           H        LYS  22   4.827  13.170  -1.183
  182    HA   LYS  22           HA       LYS  22   7.251  12.651  -2.371
  183   1HB   LYS  22          2HB       LYS  22   4.814  12.780  -3.338
  184   2HB   LYS  22          1HB       LYS  22   5.288  14.413  -3.786
  185   1HG   LYS  22          2HG       LYS  22   7.199  13.494  -5.032
  186   2HG   LYS  22          1HG       LYS  22   6.658  11.866  -4.622
  187   1HD   LYS  22          2HD       LYS  22   5.398  11.905  -6.456
  188   2HD   LYS  22          1HD       LYS  22   4.409  13.144  -5.678
  189   1HE   LYS  22          2HE       LYS  22   5.850  14.882  -6.611
  190   2HE   LYS  22          1HE       LYS  22   6.853  13.650  -7.376
  191   1HZ   LYS  22          1HZ       LYS  22   4.769  14.882  -8.547
  192   2HZ   LYS  22          2HZ       LYS  22   4.044  13.452  -8.006
  193   3HZ   LYS  22          3HZ       LYS  22   5.391  13.383  -9.027
  194    H    ASN  23           H        ASN  23   5.975  15.732  -1.308
  195    HA   ASN  23           HA       ASN  23   7.839  17.360  -2.712
  196   1HB   ASN  23          2HB       ASN  23   5.678  18.201  -1.812
  197   2HB   ASN  23          1HB       ASN  23   6.312  18.006  -0.180
  198   1HD2  ASN  23          1HD2      ASN  23   7.847  19.224  -3.125
  199   2HD2  ASN  23          2HD2      ASN  23   8.227  20.786  -2.491
  200    H    SER  24           H        SER  24   7.799  15.847   0.464
  201    HA   SER  24           HA       SER  24  10.349  17.053   1.180
  202   1HB   SER  24          2HB       SER  24   8.136  16.081   2.635
  203   2HB   SER  24          1HB       SER  24   9.491  15.023   3.027
  204    HG   SER  24           HG       SER  24   9.022  17.393   4.007
  205    H    VAL  25           H        VAL  25  11.752  15.238   2.484
  206    HA   VAL  25           HA       VAL  25  12.111  12.968   0.643
  207    HB   VAL  25           HB       VAL  25  14.563  13.190   0.900
  208   1HG1  VAL  25          1HG1      VAL  25  12.819  14.792  -0.664
  209   2HG1  VAL  25          2HG1      VAL  25  14.448  14.238  -1.051
  210   3HG1  VAL  25          3HG1      VAL  25  14.214  15.775  -0.218
  211   1HG2  VAL  25          1HG2      VAL  25  14.262  14.589   3.056
  212   2HG2  VAL  25          2HG2      VAL  25  14.136  15.961   1.955
  213   3HG2  VAL  25          3HG2      VAL  25  15.597  14.973   1.970
  214    H    GLY  26           H        GLY  26  11.094  13.574   3.546
  215   1HA   GLY  26          2HA       GLY  26  12.380  11.193   4.685
  216   2HA   GLY  26          1HA       GLY  26  12.361  12.672   5.634
  217    H    ARG  27           H        ARG  27  11.211  11.397   7.221
  218    HA   ARG  27           HA       ARG  27   9.345  10.750   8.340
  219   1HB   ARG  27          2HB       ARG  27   7.818  12.418   6.341
  220   2HB   ARG  27          1HB       ARG  27   7.332  12.003   7.979
  221   1HG   ARG  27          2HG       ARG  27   8.430  13.730   8.845
  222   2HG   ARG  27          1HG       ARG  27   9.883  13.380   7.906
  223   1HD   ARG  27          2HD       ARG  27   9.148  14.640   6.079
  224   2HD   ARG  27          1HD       ARG  27   7.476  14.638   6.638
  225    HE   ARG  27           HE       ARG  27   7.943  16.493   7.882
  226   1HH1  ARG  27          1HH1      ARG  27  10.945  14.913   7.078
  227   2HH1  ARG  27          2HH1      ARG  27  11.933  16.173   7.737
  228   1HH2  ARG  27          1HH2      ARG  27   9.238  18.157   8.747
  229   2HH2  ARG  27          2HH2      ARG  27  10.963  18.017   8.686
  230    H    TRP  28           H        TRP  28   9.879   8.620   7.298
  231    HA   TRP  28           HA       TRP  28   8.113   7.754   5.171
  232   1HB   TRP  28          2HB       TRP  28  10.361   6.515   6.713
  233   2HB   TRP  28          1HB       TRP  28   9.234   5.466   5.860
  234    HD1  TRP  28           HD       TRP  28  12.287   7.520   5.334
  235    HE1  TRP  28           1HE      TRP  28  12.909   7.561   2.839
  236    HE3  TRP  28           3HE      TRP  28   7.986   5.551   3.389
  237    HZ2  TRP  28           2HZ      TRP  28  11.735   6.854   0.371
  238    HZ3  TRP  28           3HZ      TRP  28   7.817   5.269   0.950
  239    HH2  TRP  28           HH       TRP  28   9.653   5.908  -0.526
  240    H    LYS  29           H        LYS  29   6.790   5.772   5.436
  241    HA   LYS  29           HA       LYS  29   5.823   5.305   8.157
  242   1HB   LYS  29          2HB       LYS  29   4.081   6.123   5.826
  243   2HB   LYS  29          1HB       LYS  29   3.454   5.410   7.307
  244   1HG   LYS  29          2HG       LYS  29   4.279   7.285   8.596
  245   2HG   LYS  29          1HG       LYS  29   5.005   7.987   7.149
  246   1HD   LYS  29          2HD       LYS  29   3.013   8.717   6.339
  247   2HD   LYS  29          1HD       LYS  29   2.119   7.351   7.010
  248   1HE   LYS  29          2HE       LYS  29   1.339   9.021   8.356
  249   2HE   LYS  29          1HE       LYS  29   2.743   8.514   9.295
  250   1HZ   LYS  29          1HZ       LYS  29   3.866  10.338   7.750
  251   2HZ   LYS  29          2HZ       LYS  29   3.153  10.719   9.235
  252   3HZ   LYS  29          3HZ       LYS  29   2.297  10.972   7.798
  253    H    GLU  30           H        GLU  30   5.364   3.190   8.527
  254    HA   GLU  30           HA       GLU  30   5.308   1.425   6.167
  255   1HB   GLU  30          2HB       GLU  30   6.223  -0.287   7.949
  256   2HB   GLU  30          1HB       GLU  30   7.306   0.805   7.099
  257   1HG   GLU  30          2HG       GLU  30   7.507   2.224   8.964
  258   2HG   GLU  30          1HG       GLU  30   6.138   1.473   9.781
  259    H    ALA  31           H        ALA  31   3.712   0.021   5.970
  260    HA   ALA  31           HA       ALA  31   1.985  -0.542   8.283
  261   1HB   ALA  31          1HB       ALA  31   0.210  -0.605   6.218
  262   2HB   ALA  31          2HB       ALA  31   1.253   0.735   5.742
  263   3HB   ALA  31          3HB       ALA  31   0.436   0.765   7.305
  264    H    THR  32           H        THR  32   2.209  -2.661   8.643
  265    HA   THR  32           HA       THR  32   2.832  -4.441   6.433
  266    HB   THR  32           HB       THR  32   2.675  -5.039   9.389
  267    HG1  THR  32           1HG      THR  32   4.701  -4.423   9.433
  268   1HG2  THR  32          1HG2      THR  32   2.444  -7.150   8.548
  269   2HG2  THR  32          2HG2      THR  32   4.194  -7.007   8.378
  270   3HG2  THR  32          3HG2      THR  32   3.146  -6.721   6.988
  271    H    ILE  33           H        ILE  33   1.530  -5.866   5.551
  272    HA   ILE  33           HA       ILE  33  -0.962  -6.609   6.896
  273    HB   ILE  33           HB       ILE  33  -1.069  -6.193   3.944
  274   1HG1  ILE  33          2HG1      ILE  33  -2.046  -3.858   5.367
  275   2HG1  ILE  33          1HG1      ILE  33  -0.316  -4.078   5.610
  276   1HG2  ILE  33          1HG2      ILE  33  -3.426  -5.361   4.908
  277   2HG2  ILE  33          2HG2      ILE  33  -2.933  -6.434   6.218
  278   3HG2  ILE  33          3HG2      ILE  33  -3.060  -7.054   4.573
  279   1HD1  ILE  33          1HD1      ILE  33  -1.624  -4.053   2.907
  280   2HD1  ILE  33          2HD1      ILE  33   0.099  -3.986   3.274
  281   3HD1  ILE  33          3HD1      ILE  33  -0.944  -2.624   3.686
  282    HA   PRO  34           HA       PRO  34   1.166 -10.431   5.693
  283   1HB   PRO  34          2HB       PRO  34  -1.149 -11.578   7.141
  284   2HB   PRO  34          1HB       PRO  34   0.573 -11.884   7.363
  285   1HG   PRO  34          2HG       PRO  34  -0.788 -10.431   9.130
  286   2HG   PRO  34          1HG       PRO  34   0.869  -9.989   8.673
  287   1HD   PRO  34          2HD       PRO  34  -1.728  -8.793   7.778
  288   2HD   PRO  34          1HD       PRO  34  -0.201  -7.986   8.201
  289    H    GLY  35           H        GLY  35   0.829 -10.674   3.532
  290   1HA   GLY  35          2HA       GLY  35  -0.148 -11.467   1.610
  291   2HA   GLY  35          1HA       GLY  35  -1.266 -12.347   2.641
  292    H    HIS  36           H        HIS  36  -3.279 -11.493   3.090
  293    HA   HIS  36           HA       HIS  36  -4.056  -8.847   2.467
  294   1HB   HIS  36          2HB       HIS  36  -3.813 -10.304   0.189
  295   2HB   HIS  36          1HB       HIS  36  -5.490 -10.637   0.606
  296    HD2  HIS  36           2HD      HIS  36  -5.180  -7.219   1.808
  297    HE1  HIS  36           1HE      HIS  36  -5.890  -6.795  -2.342
  298    HE2  HIS  36           2HE      HIS  36  -6.020  -5.655  -0.082
  299    H    LEU  37           H        LEU  37  -5.388  -8.593   4.135
  300    HA   LEU  37           HA       LEU  37  -7.036 -10.761   5.104
  301   1HB   LEU  37          2HB       LEU  37  -6.723  -7.889   5.971
  302   2HB   LEU  37          1HB       LEU  37  -7.804  -9.022   6.756
  303    HG   LEU  37           HG       LEU  37  -5.747 -10.468   7.184
  304   1HD1  LEU  37          1HD1      LEU  37  -4.492  -8.759   5.500
  305   2HD1  LEU  37          2HD1      LEU  37  -3.671  -9.753   6.704
  306   3HD1  LEU  37          3HD1      LEU  37  -4.056  -8.070   7.064
  307   1HD2  LEU  37          1HD2      LEU  37  -6.452  -7.886   8.459
  308   2HD2  LEU  37          2HD2      LEU  37  -4.966  -8.681   8.983
  309   3HD2  LEU  37          3HD2      LEU  37  -6.510  -9.525   9.109
  310    H    ASN  38           H        ASN  38  -7.436  -7.787   3.307
  311    HA   ASN  38           HA       ASN  38  -9.833  -8.552   2.084
  312   1HB   ASN  38          2HB       ASN  38 -11.241  -6.670   3.257
  313   2HB   ASN  38          1HB       ASN  38 -11.112  -8.259   4.002
  314   1HD2  ASN  38          1HD2      ASN  38 -10.198  -4.920   4.202
  315   2HD2  ASN  38          2HD2      ASN  38  -9.536  -4.983   5.795
  316    H    SER  39           H        SER  39 -10.163  -5.313   2.977
  317    HA   SER  39           HA       SER  39  -8.580  -4.430   0.660
  318   1HB   SER  39          2HB       SER  39 -11.251  -3.348   1.602
  319   2HB   SER  39          1HB       SER  39 -10.294  -2.686   0.276
  320    HG   SER  39           HG       SER  39 -11.998  -4.172  -0.352
  321    H    TYR  40           H        TYR  40  -6.833  -3.509   1.546
  322    HA   TYR  40           HA       TYR  40  -7.161  -1.816   3.914
  323   1HB   TYR  40          2HB       TYR  40  -5.392  -3.718   3.669
  324   2HB   TYR  40          1HB       TYR  40  -4.505  -2.535   2.715
  325    HD1  TYR  40           1HD      TYR  40  -3.993  -0.273   3.821
  326    HD2  TYR  40           2HD      TYR  40  -5.248  -3.704   6.001
  327    HE1  TYR  40           1HE      TYR  40  -3.083   0.713   5.882
  328    HE2  TYR  40           2HE      TYR  40  -4.342  -2.728   8.069
  329    HH   TYR  40           HH       TYR  40  -3.462  -0.899   9.014
  330    H    THR  41           H        THR  41  -7.606   0.226   3.448
  331    HA   THR  41           HA       THR  41  -6.089   1.526   1.278
  332    HB   THR  41           HB       THR  41  -8.773   2.521   2.187
  333    HG1  THR  41           1HG      THR  41  -8.685   0.971  -0.118
  334   1HG2  THR  41          1HG2      THR  41  -8.833   3.513  -0.027
  335   2HG2  THR  41          2HG2      THR  41  -7.322   2.711  -0.456
  336   3HG2  THR  41          3HG2      THR  41  -7.334   3.964   0.784
  337    H    ILE  42           H        ILE  42  -4.946   3.295   1.783
  338    HA   ILE  42           HA       ILE  42  -5.080   4.253   4.548
  339    HB   ILE  42           HB       ILE  42  -2.969   4.597   2.420
  340   1HG1  ILE  42          2HG1      ILE  42  -2.431   3.402   5.087
  341   2HG1  ILE  42          1HG1      ILE  42  -3.393   2.445   3.964
  342   1HG2  ILE  42          1HG2      ILE  42  -1.990   5.430   4.926
  343   2HG2  ILE  42          2HG2      ILE  42  -3.530   6.255   4.681
  344   3HG2  ILE  42          3HG2      ILE  42  -2.247   6.408   3.480
  345   1HD1  ILE  42          1HD1      ILE  42  -1.597   1.874   2.806
  346   2HD1  ILE  42          2HD1      ILE  42  -0.631   2.603   4.088
  347   3HD1  ILE  42          3HD1      ILE  42  -1.070   3.551   2.668
  348    H    LYS  43           H        LYS  43  -5.896   6.180   5.049
  349    HA   LYS  43           HA       LYS  43  -6.196   8.184   2.916
  350   1HB   LYS  43          2HB       LYS  43  -8.261   6.865   4.429
  351   2HB   LYS  43          1HB       LYS  43  -8.280   8.590   4.771
  352   1HG   LYS  43          2HG       LYS  43  -9.533   8.760   2.940
  353   2HG   LYS  43          1HG       LYS  43  -8.026   8.540   2.047
  354   1HD   LYS  43          2HD       LYS  43  -8.475   6.044   2.200
  355   2HD   LYS  43          1HD       LYS  43 -10.098   6.473   2.746
  356   1HE   LYS  43          2HE       LYS  43 -10.020   6.032   0.331
  357   2HE   LYS  43          1HE       LYS  43 -10.499   7.691   0.689
  358   1HZ   LYS  43          1HZ       LYS  43  -8.838   7.427  -1.140
  359   2HZ   LYS  43          2HZ       LYS  43  -7.717   6.918   0.018
  360   3HZ   LYS  43          3HZ       LYS  43  -8.363   8.478   0.099
  361    H    GLY  44           H        GLY  44  -7.292  10.218   4.444
  362   1HA   GLY  44          2HA       GLY  44  -6.852  11.728   6.165
  363   2HA   GLY  44          1HA       GLY  44  -5.629  10.627   6.784
  364    H    LEU  45           H        LEU  45  -5.705  11.651   3.447
  365    HA   LEU  45           HA       LEU  45  -3.098  12.909   3.820
  366   1HB   LEU  45          2HB       LEU  45  -4.400  12.603   1.143
  367   2HB   LEU  45          1HB       LEU  45  -2.698  12.561   1.565
  368    HG   LEU  45           HG       LEU  45  -4.465  10.367   2.551
  369   1HD1  LEU  45          1HD1      LEU  45  -3.464  10.672  -0.269
  370   2HD1  LEU  45          2HD1      LEU  45  -5.128  10.442   0.269
  371   3HD1  LEU  45          3HD1      LEU  45  -3.958   9.132   0.434
  372   1HD2  LEU  45          1HD2      LEU  45  -2.492   9.110   2.562
  373   2HD2  LEU  45          2HD2      LEU  45  -2.001  10.707   3.129
  374   3HD2  LEU  45          3HD2      LEU  45  -1.672  10.223   1.466
  375    H    LYS  46           H        LYS  46  -2.718  14.870   2.316
  376    HA   LYS  46           HA       LYS  46  -4.994  16.693   2.539
  377   1HB   LYS  46          2HB       LYS  46  -3.088  18.458   2.797
  378   2HB   LYS  46          1HB       LYS  46  -3.598  17.506   4.185
  379   1HG   LYS  46          2HG       LYS  46  -1.722  15.946   3.734
  380   2HG   LYS  46          1HG       LYS  46  -1.178  17.044   2.464
  381   1HD   LYS  46          2HD       LYS  46  -0.493  18.646   3.956
  382   2HD   LYS  46          1HD       LYS  46  -1.662  18.152   5.183
  383   1HE   LYS  46          2HE       LYS  46   0.581  16.327   4.415
  384   2HE   LYS  46          1HE       LYS  46   0.866  17.656   5.538
  385   1HZ   LYS  46          1HZ       LYS  46  -0.658  16.769   7.066
  386   2HZ   LYS  46          2HZ       LYS  46   0.260  15.446   6.547
  387   3HZ   LYS  46          3HZ       LYS  46  -1.300  15.680   5.941
  388    HA   PRO  47           HA       PRO  47  -4.510  17.290  -1.828
  389   1HB   PRO  47          2HB       PRO  47  -5.707  19.953  -1.386
  390   2HB   PRO  47          1HB       PRO  47  -6.288  18.610  -2.374
  391   1HG   PRO  47          2HG       PRO  47  -7.491  19.267  -0.075
  392   2HG   PRO  47          1HG       PRO  47  -7.336  17.576  -0.588
  393   1HD   PRO  47          2HD       PRO  47  -5.732  19.098   1.433
  394   2HD   PRO  47          1HD       PRO  47  -6.346  17.433   1.506
  395    H    GLY  48           H        GLY  48  -3.555  18.810  -3.381
  396   1HA   GLY  48          2HA       GLY  48  -2.088  20.509  -4.017
  397   2HA   GLY  48          1HA       GLY  48  -1.898  20.946  -2.326
  398    H    VAL  49           H        VAL  49  -1.225  18.237  -1.486
  399    HA   VAL  49           HA       VAL  49   1.461  18.032  -2.682
  400    HB   VAL  49           HB       VAL  49   1.789  18.867  -0.491
  401   1HG1  VAL  49          1HG1      VAL  49  -0.118  16.743   0.477
  402   2HG1  VAL  49          2HG1      VAL  49  -0.428  18.478   0.403
  403   3HG1  VAL  49          3HG1      VAL  49   0.792  17.846   1.509
  404   1HG2  VAL  49          1HG2      VAL  49   2.201  16.097   0.344
  405   2HG2  VAL  49          2HG2      VAL  49   3.366  17.403   0.127
  406   3HG2  VAL  49          3HG2      VAL  49   2.831  16.457  -1.263
  407    H    VAL  50           H        VAL  50   1.691  16.216  -3.800
  408    HA   VAL  50           HA       VAL  50  -0.084  13.984  -3.454
  409    HB   VAL  50           HB       VAL  50   2.391  14.200  -5.174
  410   1HG1  VAL  50          1HG1      VAL  50   0.768  12.427  -6.416
  411   2HG1  VAL  50          2HG1      VAL  50   0.408  12.076  -4.726
  412   3HG1  VAL  50          3HG1      VAL  50   2.068  11.977  -5.312
  413   1HG2  VAL  50          1HG2      VAL  50  -0.318  14.337  -6.352
  414   2HG2  VAL  50          2HG2      VAL  50   1.170  15.157  -6.825
  415   3HG2  VAL  50          3HG2      VAL  50   0.231  15.755  -5.458
  416    H    TYR  51           H        TYR  51   0.390  11.940  -2.691
  417    HA   TYR  51           HA       TYR  51   2.767  11.770  -0.992
  418   1HB   TYR  51          2HB       TYR  51   0.003  10.758  -0.840
  419   2HB   TYR  51          1HB       TYR  51   1.237   9.627  -0.316
  420    HD1  TYR  51           1HD      TYR  51   2.857  10.379   1.506
  421    HD2  TYR  51           2HD      TYR  51  -0.698  12.509   0.549
  422    HE1  TYR  51           1HE      TYR  51   2.957  11.513   3.686
  423    HE2  TYR  51           2HE      TYR  51  -0.611  13.650   2.724
  424    HH   TYR  51           HH       TYR  51   1.670  12.721   5.195
  425    H    GLU  52           H        GLU  52   4.380  10.446  -1.524
  426    HA   GLU  52           HA       GLU  52   3.960   8.541  -3.717
  427   1HB   GLU  52          2HB       GLU  52   5.720   9.767  -4.480
  428   2HB   GLU  52          1HB       GLU  52   6.223  10.247  -2.866
  429   1HG   GLU  52          2HG       GLU  52   7.690   8.566  -2.682
  430   2HG   GLU  52          1HG       GLU  52   6.625   7.409  -3.479
  431    H    GLY  53           H        GLY  53   4.136   6.409  -3.386
  432   1HA   GLY  53          2HA       GLY  53   5.659   5.390  -1.132
  433   2HA   GLY  53          1HA       GLY  53   3.926   5.121  -1.050
  434    H    GLN  54           H        GLN  54   5.883   3.098  -1.108
  435    HA   GLN  54           HA       GLN  54   5.131   1.753  -3.605
  436   1HB   GLN  54          2HB       GLN  54   7.653   0.748  -2.702
  437   2HB   GLN  54          1HB       GLN  54   7.254   1.493  -4.243
  438   1HG   GLN  54          2HG       GLN  54   7.615   3.714  -3.194
  439   2HG   GLN  54          1HG       GLN  54   8.163   2.885  -1.736
  440   1HE2  GLN  54          1HE2      GLN  54   8.730   2.561  -5.226
  441   2HE2  GLN  54          2HE2      GLN  54  10.455   2.525  -5.117
  442    H    LEU  55           H        LEU  55   4.708  -0.455  -3.424
  443    HA   LEU  55           HA       LEU  55   4.359  -1.375  -0.664
  444   1HB   LEU  55          2HB       LEU  55   2.492  -1.318  -2.498
  445   2HB   LEU  55          1HB       LEU  55   3.244  -2.803  -3.044
  446    HG   LEU  55           HG       LEU  55   2.120  -3.977  -1.520
  447   1HD1  LEU  55          1HD1      LEU  55   2.427  -3.751   0.827
  448   2HD1  LEU  55          2HD1      LEU  55   2.936  -2.071   0.662
  449   3HD1  LEU  55          3HD1      LEU  55   3.968  -3.368   0.059
  450   1HD2  LEU  55          1HD2      LEU  55   0.985  -1.327  -0.661
  451   2HD2  LEU  55          2HD2      LEU  55   0.319  -2.910  -0.258
  452   3HD2  LEU  55          3HD2      LEU  55   0.356  -2.371  -1.938
  453    H    ILE  56           H        ILE  56   6.074  -2.454   0.049
  454    HA   ILE  56           HA       ILE  56   7.440  -4.327  -1.756
  455    HB   ILE  56           HB       ILE  56   8.386  -3.116   0.844
  456   1HG1  ILE  56          2HG1      ILE  56  10.166  -2.234  -0.911
  457   2HG1  ILE  56          1HG1      ILE  56   8.838  -2.471  -2.042
  458   1HG2  ILE  56          1HG2      ILE  56   9.192  -5.498  -0.413
  459   2HG2  ILE  56          2HG2      ILE  56   9.972  -4.667   0.934
  460   3HG2  ILE  56          3HG2      ILE  56  10.462  -4.314  -0.723
  461   1HD1  ILE  56          1HD1      ILE  56   7.737  -1.104   0.129
  462   2HD1  ILE  56          2HD1      ILE  56   8.101  -0.467  -1.475
  463   3HD1  ILE  56          3HD1      ILE  56   9.296  -0.339  -0.185
  464    H    SER  57           H        SER  57   6.819  -6.377  -1.535
  465    HA   SER  57           HA       SER  57   5.618  -7.281   0.949
  466   1HB   SER  57          2HB       SER  57   5.087  -7.864  -1.669
  467   2HB   SER  57          1HB       SER  57   6.028  -9.270  -1.173
  468    HG   SER  57           HG       SER  57   4.527  -9.266   0.714
  469    H    ILE  58           H        ILE  58   6.653  -8.332   2.470
  470    HA   ILE  58           HA       ILE  58   9.345  -9.355   1.919
  471    HB   ILE  58           HB       ILE  58   8.005  -8.544   4.495
  472   1HG1  ILE  58          2HG1      ILE  58  10.641  -7.569   3.434
  473   2HG1  ILE  58          1HG1      ILE  58   9.134  -6.896   2.820
  474   1HG2  ILE  58          1HG2      ILE  58  10.364 -10.278   4.039
  475   2HG2  ILE  58          2HG2      ILE  58   9.196 -10.274   5.360
  476   3HG2  ILE  58          3HG2      ILE  58  10.481  -9.068   5.317
  477   1HD1  ILE  58          1HD1      ILE  58  10.128  -5.552   4.616
  478   2HD1  ILE  58          2HD1      ILE  58   9.956  -6.922   5.713
  479   3HD1  ILE  58          3HD1      ILE  58   8.523  -6.155   5.029
  480    H    GLN  59           H        GLN  59   9.664 -11.449   1.777
  481    HA   GLN  59           HA       GLN  59   7.581 -13.289   2.698
  482   1HB   GLN  59          2HB       GLN  59   9.101 -13.162   0.341
  483   2HB   GLN  59          1HB       GLN  59   9.699 -14.564   1.217
  484   1HG   GLN  59          2HG       GLN  59   7.026 -14.897   1.479
  485   2HG   GLN  59          1HG       GLN  59   7.118 -14.115  -0.096
  486   1HE2  GLN  59          1HE2      GLN  59   8.491 -16.769   1.795
  487   2HE2  GLN  59          2HE2      GLN  59   8.726 -17.836   0.454
  488    H    GLN  60           H        GLN  60   8.808 -15.605   3.071
  489    HA   GLN  60           HA       GLN  60   9.908 -15.416   5.635
  490   1HB   GLN  60          2HB       GLN  60   9.144 -17.481   3.828
  491   2HB   GLN  60          1HB       GLN  60  10.754 -17.856   4.426
  492   1HG   GLN  60          2HG       GLN  60   9.926 -18.542   6.353
  493   2HG   GLN  60          1HG       GLN  60   9.114 -16.997   6.591
  494   1HE2  GLN  60          1HE2      GLN  60   8.802 -20.244   5.393
  495   2HE2  GLN  60          2HE2      GLN  60   7.077 -20.257   5.294
  496    H    TYR  61           H        TYR  61  11.408 -15.347   2.497
  497    HA   TYR  61           HA       TYR  61  14.066 -15.541   3.722
  498   1HB   TYR  61          2HB       TYR  61  13.935 -15.334   0.796
  499   2HB   TYR  61          1HB       TYR  61  14.819 -16.470   1.808
  500    HD1  TYR  61           1HD      TYR  61  12.484 -16.334  -0.673
  501    HD2  TYR  61           2HD      TYR  61  13.010 -18.091   3.169
  502    HE1  TYR  61           1HE      TYR  61  10.869 -18.090  -1.261
  503    HE2  TYR  61           2HE      TYR  61  11.398 -19.855   2.588
  504    HH   TYR  61           HH       TYR  61  10.585 -20.911   0.256
  505    H    GLY  62           H        GLY  62  11.957 -13.193   3.251
  506   1HA   GLY  62          2HA       GLY  62  12.788 -10.924   3.683
  507   2HA   GLY  62          1HA       GLY  62  14.045 -11.241   2.496
  508    H    HIS  63           H        HIS  63  12.766  -8.996   2.073
  509    HA   HIS  63           HA       HIS  63  10.334  -9.015   0.723
  510   1HB   HIS  63          2HB       HIS  63  11.352  -6.928  -0.458
  511   2HB   HIS  63          1HB       HIS  63  11.081  -6.886   1.281
  512    HD2  HIS  63           2HD      HIS  63  13.173  -5.876   2.570
  513    HE1  HIS  63           1HE      HIS  63  16.169  -7.074  -0.169
  514    HE2  HIS  63           2HE      HIS  63  15.719  -6.018   2.091
  515    H    GLN  64           H        GLN  64   9.882  -8.778  -1.569
  516    HA   GLN  64           HA       GLN  64  11.858  -9.579  -3.491
  517   1HB   GLN  64          2HB       GLN  64  10.364 -11.587  -4.196
  518   2HB   GLN  64          1HB       GLN  64  11.500 -11.785  -2.869
  519   1HG   GLN  64          2HG       GLN  64   9.871 -12.290  -1.456
  520   2HG   GLN  64          1HG       GLN  64   8.966 -10.842  -1.892
  521   1HE2  GLN  64          1HE2      GLN  64   7.555 -13.012  -1.265
  522   2HE2  GLN  64          2HE2      GLN  64   6.847 -13.730  -2.668
  523    H    GLU  65           H        GLU  65   8.776  -8.416  -2.606
  524    HA   GLU  65           HA       GLU  65   8.090  -7.941  -5.433
  525   1HB   GLU  65          2HB       GLU  65   6.556  -9.162  -3.506
  526   2HB   GLU  65          1HB       GLU  65   5.962  -7.508  -3.462
  527   1HG   GLU  65          2HG       GLU  65   4.988  -7.660  -5.483
  528   2HG   GLU  65          1HG       GLU  65   6.275  -8.667  -6.147
  529    H    VAL  66           H        VAL  66   8.081  -5.899  -6.144
  530    HA   VAL  66           HA       VAL  66   7.790  -3.727  -4.185
  531    HB   VAL  66           HB       VAL  66   9.801  -3.633  -6.432
  532   1HG1  VAL  66          1HG1      VAL  66   8.801  -1.733  -4.420
  533   2HG1  VAL  66          2HG1      VAL  66   9.518  -1.439  -6.004
  534   3HG1  VAL  66          3HG1      VAL  66  10.553  -1.774  -4.615
  535   1HG2  VAL  66          1HG2      VAL  66  10.402  -3.986  -3.502
  536   2HG2  VAL  66          2HG2      VAL  66  11.536  -4.029  -4.853
  537   3HG2  VAL  66          3HG2      VAL  66  10.353  -5.323  -4.652
  538    H    THR  67           H        THR  67   6.408  -2.182  -4.775
  539    HA   THR  67           HA       THR  67   5.769  -1.830  -7.619
  540    HB   THR  67           HB       THR  67   3.389  -1.448  -6.045
  541    HG1  THR  67           1HG      THR  67   3.471  -3.144  -4.795
  542   1HG2  THR  67          1HG2      THR  67   3.748  -1.907  -8.556
  543   2HG2  THR  67          2HG2      THR  67   2.373  -2.672  -7.759
  544   3HG2  THR  67          3HG2      THR  67   3.833  -3.604  -8.086
  545    H    ARG  68           H        ARG  68   5.997   0.246  -8.143
  546    HA   ARG  68           HA       ARG  68   5.930   2.263  -6.022
  547   1HB   ARG  68          2HB       ARG  68   6.781   2.667  -8.886
  548   2HB   ARG  68          1HB       ARG  68   7.149   3.683  -7.499
  549   1HG   ARG  68          2HG       ARG  68   8.653   2.095  -6.611
  550   2HG   ARG  68          1HG       ARG  68   8.098   0.843  -7.722
  551   1HD   ARG  68          2HD       ARG  68   9.546   1.489  -9.283
  552   2HD   ARG  68          1HD       ARG  68   9.017   3.167  -9.161
  553    HE   ARG  68           HE       ARG  68  10.600   2.796  -6.970
  554   1HH1  ARG  68          1HH1      ARG  68  11.025   2.376 -10.404
  555   2HH1  ARG  68          2HH1      ARG  68  12.724   2.710 -10.365
  556   1HH2  ARG  68          1HH2      ARG  68  12.839   3.233  -6.910
  557   2HH2  ARG  68          2HH2      ARG  68  13.754   3.196  -8.380
  558    H    PHE  69           H        PHE  69   4.385   3.788  -5.869
  559    HA   PHE  69           HA       PHE  69   2.706   4.450  -8.127
  560   1HB   PHE  69          2HB       PHE  69   0.620   3.957  -6.666
  561   2HB   PHE  69          1HB       PHE  69   1.391   2.630  -7.529
  562    HD1  PHE  69           1HD      PHE  69   2.197   0.762  -6.381
  563    HD2  PHE  69           2HD      PHE  69   1.173   4.280  -4.216
  564    HE1  PHE  69           1HE      PHE  69   2.447  -0.470  -4.266
  565    HE2  PHE  69           2HE      PHE  69   1.421   3.054  -2.097
  566    HZ   PHE  69           HZ       PHE  69   2.060   0.675  -2.121
  567    H    ASP  70           H        ASP  70   1.290   6.221  -7.751
  568    HA   ASP  70           HA       ASP  70   2.085   7.897  -5.462
  569   1HB   ASP  70          2HB       ASP  70   1.256   8.674  -8.270
  570   2HB   ASP  70          1HB       ASP  70   1.419   9.828  -6.950
  571    H    PHE  71           H        PHE  71   0.445   8.749  -4.199
  572    HA   PHE  71           HA       PHE  71  -2.294   8.499  -5.141
  573   1HB   PHE  71          2HB       PHE  71  -3.022   6.966  -3.568
  574   2HB   PHE  71          1HB       PHE  71  -1.428   6.339  -3.977
  575    HD1  PHE  71           1HD      PHE  71  -3.578   7.328  -1.356
  576    HD2  PHE  71           2HD      PHE  71   0.534   7.106  -2.444
  577    HE1  PHE  71           1HE      PHE  71  -2.949   7.403   1.020
  578    HE2  PHE  71           2HE      PHE  71   1.166   7.179  -0.069
  579    HZ   PHE  71           HZ       PHE  71  -0.574   7.328   1.665
  580    H    THR  72           H        THR  72  -3.721   9.867  -4.216
  581    HA   THR  72           HA       THR  72  -3.044  11.322  -1.808
  582    HB   THR  72           HB       THR  72  -3.970  13.273  -3.705
  583    HG1  THR  72           1HG      THR  72  -2.674  11.682  -5.063
  584   1HG2  THR  72          1HG2      THR  72  -2.834  13.738  -1.573
  585   2HG2  THR  72          2HG2      THR  72  -2.010  14.497  -2.935
  586   3HG2  THR  72          3HG2      THR  72  -1.355  13.024  -2.217
  587    H    THR  73           H        THR  73  -4.906  12.796  -1.177
  588    HA   THR  73           HA       THR  73  -7.392  11.355  -1.677
  589    HB   THR  73           HB       THR  73  -6.941  11.770   0.644
  590    HG1  THR  73           1HG      THR  73  -9.103  11.981   0.284
  591   1HG2  THR  73          1HG2      THR  73  -5.433  13.716   0.295
  592   2HG2  THR  73          2HG2      THR  73  -6.619  13.970   1.577
  593   3HG2  THR  73          3HG2      THR  73  -6.855  14.717  -0.004
  594    H    THR  74           H        THR  74  -8.956  12.077  -2.948
  595    HA   THR  74           HA       THR  74  -9.976  13.304  -4.569
  596    HB   THR  74           HB       THR  74 -10.810  14.286  -2.367
  597    HG1  THR  74           1HG      THR  74 -12.152  14.993  -3.836
  598   1HG2  THR  74          1HG2      THR  74  -8.513  15.956  -2.759
  599   2HG2  THR  74          2HG2      THR  74  -9.637  15.914  -1.401
  600   3HG2  THR  74          3HG2      THR  74  -9.972  16.945  -2.792
  601    H    SER  75           H        SER  75  -6.994  13.333  -4.609
  602    HA   SER  75           HA       SER  75  -6.713  15.662  -6.374
  603   1HB   SER  75          2HB       SER  75  -5.449  16.525  -4.664
  604   2HB   SER  75          1HB       SER  75  -5.035  14.935  -4.025
  605    HG   SER  75           HG       SER  75  -3.268  16.073  -5.045
  606    H    THR  76           H        THR  76  -4.658  12.957  -5.301
  607    HA   THR  76           HA       THR  76  -3.511  11.360  -6.439
  608    HB   THR  76           HB       THR  76  -5.197  11.501  -8.868
  609    HG1  THR  76           1HG      THR  76  -7.045  10.908  -7.854
  610   1HG2  THR  76          1HG2      THR  76  -3.720   9.554  -7.310
  611   2HG2  THR  76          2HG2      THR  76  -4.259   9.478  -8.987
  612   3HG2  THR  76          3HG2      THR  76  -5.347   8.989  -7.688
  613    H    SER  77           H        SER  77  -2.546  10.881  -8.775
  614    HA   SER  77           HA       SER  77  -1.892  13.291 -10.244
  615   1HB   SER  77          2HB       SER  77  -0.280  12.803  -8.142
  616   2HB   SER  77          1HB       SER  77   0.518  11.803  -9.356
  617    HG   SER  77           HG       SER  77  -0.215  14.407 -10.058
  618    H    THR  78           H        THR  78  -1.741  12.823 -12.329
  619    HA   THR  78           HA       THR  78  -1.780  11.616 -14.260
  620    HB   THR  78           HB       THR  78   0.141  10.141 -14.647
  621    HG1  THR  78           1HG      THR  78   1.649  10.045 -12.736
  622   1HG2  THR  78          1HG2      THR  78   1.934  11.840 -13.751
  623   2HG2  THR  78          2HG2      THR  78   0.511  12.796 -13.336
  624   3HG2  THR  78          3HG2      THR  78   0.794  12.318 -15.010
  625    HA   PRO  79           HA       PRO  79  -4.308   8.146 -12.600
  626   1HB   PRO  79          2HB       PRO  79  -6.233   8.340 -14.510
  627   2HB   PRO  79          1HB       PRO  79  -6.227   9.330 -13.046
  628   1HG   PRO  79          2HG       PRO  79  -5.287  10.026 -15.805
  629   2HG   PRO  79          1HG       PRO  79  -6.260  10.992 -14.679
  630   1HD   PRO  79          2HD       PRO  79  -3.615  11.401 -14.996
  631   2HD   PRO  79          1HD       PRO  79  -4.417  11.616 -13.426
  632    H    GLY  80           H        GLY  80  -2.476   6.821 -13.313
  633   1HA   GLY  80          2HA       GLY  80  -2.717   5.815 -16.068
  634   2HA   GLY  80          1HA       GLY  80  -1.311   5.624 -15.031
  635    H    SER  81           H        SER  81  -3.629   5.022 -12.936
  636    HA   SER  81           HA       SER  81  -4.447   3.148 -11.945
  637   1HB   SER  81          2HB       SER  81  -5.928   3.185 -13.933
  638   2HB   SER  81          1HB       SER  81  -4.772   2.168 -14.792
  639    HG   SER  81           HG       SER  81  -5.110   0.751 -12.798
  640    H    ARG  82           H        ARG  82  -1.885   3.117 -11.627
  641    HA   ARG  82           HA       ARG  82  -0.014   1.865 -11.299
  642   1HB   ARG  82          2HB       ARG  82  -1.798  -0.541 -11.656
  643   2HB   ARG  82          1HB       ARG  82  -0.331  -0.417 -10.693
  644   1HG   ARG  82          2HG       ARG  82  -1.905   1.515  -9.578
  645   2HG   ARG  82          1HG       ARG  82  -3.084   0.279 -10.021
  646   1HD   ARG  82          2HD       ARG  82  -0.565  -0.268  -8.459
  647   2HD   ARG  82          1HD       ARG  82  -2.138   0.035  -7.720
  648    HE   ARG  82           HE       ARG  82  -1.993  -2.131  -9.659
  649   1HH1  ARG  82          1HH1      ARG  82  -2.034  -1.156  -6.313
  650   2HH1  ARG  82          2HH1      ARG  82  -2.478  -2.726  -5.729
  651   1HH2  ARG  82          1HH2      ARG  82  -2.581  -4.198  -8.897
  652   2HH2  ARG  82          2HH2      ARG  82  -2.788  -4.453  -7.195
  653    H    SER  83           H        SER  83   0.977   2.495 -13.253
  654    HA   SER  83           HA       SER  83   1.316   0.283 -15.128
  655   1HB   SER  83          2HB       SER  83  -0.340   1.559 -16.279
  656   2HB   SER  83          1HB       SER  83   0.474   3.078 -15.906
  657    HG   SER  83           HG       SER  83   1.361   2.792 -17.789
  658    H    HIS  84           H        HIS  84   3.346   0.119 -15.966
  659    HA   HIS  84           HA       HIS  84   5.283   2.171 -15.115
  660   1HB   HIS  84          2HB       HIS  84   5.824  -0.774 -15.541
  661   2HB   HIS  84          1HB       HIS  84   6.949   0.423 -14.910
  662    HD2  HIS  84           2HD      HIS  84   4.426  -2.097 -13.673
  663    HE1  HIS  84           1HE      HIS  84   5.199   0.553 -10.464
  664    HE2  HIS  84           2HE      HIS  84   4.286  -1.722 -11.109
  665    H    HIS  85           H        HIS  85   4.088   0.205 -17.709
  666    HA   HIS  85           HA       HIS  85   6.244   0.996 -19.501
  667   1HB   HIS  85          2HB       HIS  85   3.795  -0.714 -19.993
  668   2HB   HIS  85          1HB       HIS  85   5.093  -0.440 -21.152
  669    HD2  HIS  85           2HD      HIS  85   4.364  -3.437 -19.920
  670    HE1  HIS  85           1HE      HIS  85   8.121  -2.946 -18.033
  671    HE2  HIS  85           2HE      HIS  85   6.418  -4.627 -18.871
  672    H    HIS  86           H        HIS  86   5.301   3.282 -18.878
  673    HA   HIS  86           HA       HIS  86   3.204   4.020 -20.799
  674   1HB   HIS  86          2HB       HIS  86   2.839   4.639 -18.417
  675   2HB   HIS  86          1HB       HIS  86   4.295   5.626 -18.478
  676    HD2  HIS  86           2HD      HIS  86   0.576   5.763 -19.465
  677    HE1  HIS  86           1HE      HIS  86   2.414   9.378 -20.674
  678    HE2  HIS  86           2HE      HIS  86   0.206   8.211 -20.237
  679    H    HIS  87           H        HIS  87   4.429   4.149 -22.675
  680    HA   HIS  87           HA       HIS  87   6.784   5.855 -22.715
  681   1HB   HIS  87          2HB       HIS  87   7.107   5.088 -24.975
  682   2HB   HIS  87          1HB       HIS  87   6.714   3.695 -23.973
  683    HD2  HIS  87           2HD      HIS  87   5.510   5.478 -27.114
  684    HE1  HIS  87           1HE      HIS  87   2.581   2.607 -26.073
  685    HE2  HIS  87           2HE      HIS  87   3.270   4.352 -27.777
  686    H    HIS  88           H        HIS  88   6.909   7.310 -24.784
  687    HA   HIS  88           HA       HIS  88   4.463   8.949 -24.815
  688   1HB   HIS  88          2HB       HIS  88   6.984   9.713 -24.062
  689   2HB   HIS  88          1HB       HIS  88   6.945  10.217 -25.749
  690    HD2  HIS  88           2HD      HIS  88   6.594  12.878 -25.451
  691    HE1  HIS  88           1HE      HIS  88   3.163  12.652 -22.983
  692    HE2  HIS  88           2HE      HIS  88   4.796  14.211 -24.140
  693    H    HIS  89           H        HIS  89   4.077  10.179 -26.828
  694    HA   HIS  89           HA       HIS  89   4.778   8.541 -29.171
  695   1HB   HIS  89          2HB       HIS  89   2.313   9.988 -28.352
  696   2HB   HIS  89          1HB       HIS  89   2.693   9.963 -30.071
  697    HD2  HIS  89           2HD      HIS  89   0.281   8.201 -28.317
  698    HE1  HIS  89           1HE      HIS  89   2.399   5.023 -30.140
  699    HE2  HIS  89           2HE      HIS  89   0.318   5.661 -28.840
  Start of MODEL   25
    1   1H    MET   1          1HT       MET   1  -1.672   0.040 -13.768
    2   2H    MET   1          2HT       MET   1  -1.619   1.302 -14.892
    3   3H    MET   1          3HT       MET   1  -0.291   0.271 -14.717
    4    HA   MET   1           HA       MET   1  -1.912  -0.052 -16.689
    5   1HB   MET   1          2HB       MET   1   0.048  -1.480 -15.794
    6   2HB   MET   1          1HB       MET   1  -1.199  -2.487 -15.068
    7   1HG   MET   1          2HG       MET   1  -0.996  -3.604 -17.009
    8   2HG   MET   1          1HG       MET   1  -2.144  -2.385 -17.559
    9   1HE   MET   1          1HE       MET   1  -0.628  -3.227 -20.381
   10   2HE   MET   1          2HE       MET   1  -0.730  -1.485 -20.637
   11   3HE   MET   1          3HE       MET   1  -1.970  -2.312 -19.695
   12    H    ARG   2           H        ARG   2  -3.573  -1.767 -17.226
   13    HA   ARG   2           HA       ARG   2  -5.912  -1.299 -15.658
   14   1HB   ARG   2          2HB       ARG   2  -5.413  -3.117 -18.021
   15   2HB   ARG   2          1HB       ARG   2  -6.995  -2.846 -17.302
   16   1HG   ARG   2          2HG       ARG   2  -6.463  -0.337 -17.748
   17   2HG   ARG   2          1HG       ARG   2  -5.303  -0.991 -18.906
   18   1HD   ARG   2          2HD       ARG   2  -7.495  -0.480 -19.923
   19   2HD   ARG   2          1HD       ARG   2  -7.056  -2.184 -20.054
   20    HE   ARG   2           HE       ARG   2  -8.615  -2.615 -18.222
   21   1HH1  ARG   2          1HH1      ARG   2  -8.881   0.431 -19.895
   22   2HH1  ARG   2          2HH1      ARG   2 -10.536   0.680 -19.448
   23   1HH2  ARG   2          1HH2      ARG   2 -10.793  -2.296 -17.629
   24   2HH2  ARG   2          2HH2      ARG   2 -11.622  -0.870 -18.159
   25    H    GLY   3           H        GLY   3  -7.150  -3.894 -16.007
   26   1HA   GLY   3          2HA       GLY   3  -7.186  -6.037 -15.082
   27   2HA   GLY   3          1HA       GLY   3  -5.586  -5.749 -14.414
   28    H    SER   4           H        SER   4  -8.861  -6.000 -13.725
   29    HA   SER   4           HA       SER   4  -8.596  -4.532 -11.195
   30   1HB   SER   4          2HB       SER   4 -11.005  -4.532 -11.077
   31   2HB   SER   4          1HB       SER   4 -10.540  -4.008 -12.695
   32    HG   SER   4           HG       SER   4 -11.288  -5.836 -13.525
   33    H    ASN   5           H        ASN   5  -8.403  -7.635 -12.442
   34    HA   ASN   5           HA       ASN   5  -9.402  -8.937 -10.030
   35   1HB   ASN   5          2HB       ASN   5  -9.857  -9.812 -12.380
   36   2HB   ASN   5          1HB       ASN   5  -8.162 -10.288 -12.425
   37   1HD2  ASN   5          1HD2      ASN   5 -10.936 -10.522 -10.220
   38   2HD2  ASN   5          2HD2      ASN   5 -10.674 -12.175  -9.794
   39    H    ALA   6           H        ALA   6  -8.150  -9.908  -8.524
   40    HA   ALA   6           HA       ALA   6  -5.244  -9.984  -8.965
   41   1HB   ALA   6          1HB       ALA   6  -5.402  -8.043  -7.691
   42   2HB   ALA   6          2HB       ALA   6  -5.067  -9.290  -6.489
   43   3HB   ALA   6          3HB       ALA   6  -6.711  -8.684  -6.697
   44    HA   PRO   7           HA       PRO   7  -6.700 -14.106  -7.488
   45   1HB   PRO   7          2HB       PRO   7  -4.632 -15.456  -8.670
   46   2HB   PRO   7          1HB       PRO   7  -6.151 -15.072  -9.487
   47   1HG   PRO   7          2HG       PRO   7  -3.520 -13.651  -9.615
   48   2HG   PRO   7          1HG       PRO   7  -4.648 -14.039 -10.929
   49   1HD   PRO   7          2HD       PRO   7  -4.523 -11.578  -9.855
   50   2HD   PRO   7          1HD       PRO   7  -6.059 -12.279 -10.406
   51    H    GLN   8           H        GLN   8  -3.295 -13.060  -7.670
   52    HA   GLN   8           HA       GLN   8  -1.565 -13.208  -6.200
   53   1HB   GLN   8          2HB       GLN   8  -3.903 -13.010  -4.313
   54   2HB   GLN   8          1HB       GLN   8  -2.247 -13.099  -3.729
   55   1HG   GLN   8          2HG       GLN   8  -1.696 -11.025  -4.578
   56   2HG   GLN   8          1HG       GLN   8  -3.005 -11.046  -5.758
   57   1HE2  GLN   8          1HE2      GLN   8  -2.112  -9.221  -3.464
   58   2HE2  GLN   8          2HE2      GLN   8  -3.581  -8.902  -2.613
   59    HA   PRO   9           HA       PRO   9  -1.929 -17.817  -6.005
   60   1HB   PRO   9          2HB       PRO   9   0.979 -17.488  -6.491
   61   2HB   PRO   9          1HB       PRO   9  -0.186 -18.542  -7.300
   62   1HG   PRO   9          2HG       PRO   9   0.761 -16.362  -8.511
   63   2HG   PRO   9          1HG       PRO   9  -0.930 -16.859  -8.708
   64   1HD   PRO   9          2HD       PRO   9   0.223 -14.684  -7.007
   65   2HD   PRO   9          1HD       PRO   9  -1.275 -14.695  -7.964
   66    H    SER  10           H        SER  10  -2.267 -18.054  -3.830
   67    HA   SER  10           HA       SER  10  -1.785 -18.551  -1.670
   68   1HB   SER  10          2HB       SER  10   0.091 -19.770  -1.305
   69   2HB   SER  10          1HB       SER  10   0.296 -19.627  -3.050
   70    HG   SER  10           HG       SER  10   1.449 -17.964  -1.059
   71    H    HIS  11           H        HIS  11  -1.700 -17.318   0.104
   72    HA   HIS  11           HA       HIS  11  -1.109 -14.567  -0.104
   73   1HB   HIS  11          2HB       HIS  11  -1.611 -14.455   2.275
   74   2HB   HIS  11          1HB       HIS  11  -2.784 -15.485   1.458
   75    HD2  HIS  11           2HD      HIS  11  -1.545 -15.593   4.713
   76    HE1  HIS  11           1HE      HIS  11  -0.751 -19.540   3.408
   77    HE2  HIS  11           2HE      HIS  11  -0.821 -17.986   5.409
   78    H    ILE  12           H        ILE  12   0.468 -13.327   0.984
   79    HA   ILE  12           HA       ILE  12   3.046 -14.699   1.211
   80    HB   ILE  12           HB       ILE  12   3.039 -12.804  -0.283
   81   1HG1  ILE  12          2HG1      ILE  12   4.382 -11.627   2.117
   82   2HG1  ILE  12          1HG1      ILE  12   4.925 -13.202   1.541
   83   1HG2  ILE  12          1HG2      ILE  12   2.641 -10.492   0.788
   84   2HG2  ILE  12          2HG2      ILE  12   1.773 -11.392   2.032
   85   3HG2  ILE  12          3HG2      ILE  12   1.245 -11.478   0.351
   86   1HD1  ILE  12          1HD1      ILE  12   5.141 -10.534   0.268
   87   2HD1  ILE  12          2HD1      ILE  12   5.002 -11.952  -0.770
   88   3HD1  ILE  12          3HD1      ILE  12   6.329 -11.833   0.386
   89    H    SER  13           H        SER  13   4.502 -14.149   2.962
   90    HA   SER  13           HA       SER  13   3.494 -14.491   5.493
   91   1HB   SER  13          2HB       SER  13   5.980 -14.421   4.506
   92   2HB   SER  13          1HB       SER  13   5.951 -12.826   5.257
   93    HG   SER  13           HG       SER  13   5.020 -14.185   7.123
   94    H    LYS  14           H        LYS  14   4.497 -11.386   4.025
   95    HA   LYS  14           HA       LYS  14   2.370  -9.985   5.306
   96   1HB   LYS  14          2HB       LYS  14   4.012  -8.442   6.575
   97   2HB   LYS  14          1HB       LYS  14   3.566  -9.982   7.299
   98   1HG   LYS  14          2HG       LYS  14   5.728 -10.408   7.515
   99   2HG   LYS  14          1HG       LYS  14   5.814 -10.542   5.757
  100   1HD   LYS  14          2HD       LYS  14   6.698  -8.445   5.504
  101   2HD   LYS  14          1HD       LYS  14   5.927  -7.827   6.966
  102   1HE   LYS  14          2HE       LYS  14   8.376  -9.563   6.749
  103   2HE   LYS  14          1HE       LYS  14   8.254  -7.935   7.414
  104   1HZ   LYS  14          1HZ       LYS  14   7.278 -10.469   8.582
  105   2HZ   LYS  14          2HZ       LYS  14   6.699  -8.971   9.111
  106   3HZ   LYS  14          3HZ       LYS  14   8.343  -9.341   9.256
  107    H    TYR  15           H        TYR  15   2.051  -7.955   4.503
  108    HA   TYR  15           HA       TYR  15   3.724  -7.185   2.215
  109   1HB   TYR  15          2HB       TYR  15   0.848  -6.894   2.914
  110   2HB   TYR  15          1HB       TYR  15   1.575  -5.569   2.017
  111    HD1  TYR  15           1HD      TYR  15  -0.313  -8.388   1.630
  112    HD2  TYR  15           2HD      TYR  15   3.165  -6.569  -0.009
  113    HE1  TYR  15           1HE      TYR  15  -0.660  -9.626  -0.465
  114    HE2  TYR  15           2HE      TYR  15   2.828  -7.803  -2.107
  115    HH   TYR  15           HH       TYR  15   0.386  -8.931  -3.207
  116    H    ILE  16           H        ILE  16   4.772  -5.216   2.185
  117    HA   ILE  16           HA       ILE  16   4.433  -3.533   4.570
  118    HB   ILE  16           HB       ILE  16   6.811  -4.574   3.252
  119   1HG1  ILE  16          2HG1      ILE  16   6.061  -4.710   5.693
  120   2HG1  ILE  16          1HG1      ILE  16   7.754  -4.346   5.391
  121   1HG2  ILE  16          1HG2      ILE  16   8.191  -2.550   3.513
  122   2HG2  ILE  16          2HG2      ILE  16   6.728  -1.615   3.826
  123   3HG2  ILE  16          3HG2      ILE  16   6.967  -2.377   2.254
  124   1HD1  ILE  16          1HD1      ILE  16   5.589  -2.444   6.247
  125   2HD1  ILE  16          2HD1      ILE  16   7.187  -1.921   5.714
  126   3HD1  ILE  16          3HD1      ILE  16   7.023  -2.934   7.149
  127    H    LEU  17           H        LEU  17   3.821  -1.493   4.300
  128    HA   LEU  17           HA       LEU  17   3.874  -0.373   1.574
  129   1HB   LEU  17          2HB       LEU  17   1.643  -0.885   3.093
  130   2HB   LEU  17          1HB       LEU  17   1.954   0.802   3.454
  131    HG   LEU  17           HG       LEU  17   2.089   0.233   0.599
  132   1HD1  LEU  17          1HD1      LEU  17   0.366  -1.431   1.405
  133   2HD1  LEU  17          2HD1      LEU  17  -0.179  -0.270   0.194
  134   3HD1  LEU  17          3HD1      LEU  17  -0.611  -0.044   1.888
  135   1HD2  LEU  17          1HD2      LEU  17   0.837   2.233   0.441
  136   2HD2  LEU  17          2HD2      LEU  17   1.972   2.466   1.771
  137   3HD2  LEU  17          3HD2      LEU  17   0.280   2.101   2.110
  138    H    ARG  18           H        ARG  18   5.346   1.175   1.422
  139    HA   ARG  18           HA       ARG  18   5.727   2.956   3.733
  140   1HB   ARG  18          2HB       ARG  18   8.058   2.933   2.074
  141   2HB   ARG  18          1HB       ARG  18   7.909   2.503   3.773
  142   1HG   ARG  18          2HG       ARG  18   6.898   0.289   2.568
  143   2HG   ARG  18          1HG       ARG  18   8.128   0.795   1.408
  144   1HD   ARG  18          2HD       ARG  18   8.701   0.578   4.346
  145   2HD   ARG  18          1HD       ARG  18   8.832  -0.812   3.267
  146    HE   ARG  18           HE       ARG  18  10.647   0.242   2.182
  147   1HH1  ARG  18          1HH1      ARG  18   9.421   2.076   4.879
  148   2HH1  ARG  18          2HH1      ARG  18  10.840   3.061   5.020
  149   1HH2  ARG  18          1HH2      ARG  18  12.520   1.535   2.360
  150   2HH2  ARG  18          2HH2      ARG  18  12.600   2.754   3.588
  151    H    TRP  19           H        TRP  19   5.462   5.053   3.363
  152    HA   TRP  19           HA       TRP  19   5.891   6.137   0.710
  153   1HB   TRP  19          2HB       TRP  19   3.717   6.956   0.349
  154   2HB   TRP  19          1HB       TRP  19   3.471   5.303   0.901
  155    HD1  TRP  19           HD       TRP  19   2.741   8.894   1.811
  156    HE1  TRP  19           1HE      TRP  19   1.221   8.954   3.888
  157    HE3  TRP  19           3HE      TRP  19   2.972   3.960   3.127
  158    HZ2  TRP  19           2HZ      TRP  19   0.249   7.147   5.828
  159    HZ3  TRP  19           3HZ      TRP  19   1.718   3.208   5.106
  160    HH2  TRP  19           HH       TRP  19   0.386   4.770   6.428
  161    H    ARG  20           H        ARG  20   5.737   8.501   0.677
  162    HA   ARG  20           HA       ARG  20   5.740   9.922   3.180
  163   1HB   ARG  20          2HB       ARG  20   8.058  10.804   2.867
  164   2HB   ARG  20          1HB       ARG  20   8.002   9.093   3.270
  165   1HG   ARG  20          2HG       ARG  20   8.952   8.487   1.342
  166   2HG   ARG  20          1HG       ARG  20   7.993   9.630   0.399
  167   1HD   ARG  20          2HD       ARG  20   9.471  11.437   1.008
  168   2HD   ARG  20          1HD       ARG  20  10.377  10.377   2.088
  169    HE   ARG  20           HE       ARG  20  10.333   9.398  -0.590
  170   1HH1  ARG  20          1HH1      ARG  20  11.882  11.688   1.530
  171   2HH1  ARG  20          2HH1      ARG  20  13.351  11.738   0.614
  172   1HH2  ARG  20          1HH2      ARG  20  12.265   9.457  -1.803
  173   2HH2  ARG  20          2HH2      ARG  20  13.568  10.471  -1.280
  174    HA   PRO  21           HA       PRO  21   4.355  13.205   0.592
  175   1HB   PRO  21          2HB       PRO  21   5.676  15.364   1.719
  176   2HB   PRO  21          1HB       PRO  21   4.163  14.680   2.321
  177   1HG   PRO  21          2HG       PRO  21   6.959  14.236   3.274
  178   2HG   PRO  21          1HG       PRO  21   5.464  14.397   4.213
  179   1HD   PRO  21          2HD       PRO  21   6.601  12.005   3.773
  180   2HD   PRO  21          1HD       PRO  21   4.836  12.201   3.826
  181    H    LYS  22           H        LYS  22   5.144  13.064  -1.419
  182    HA   LYS  22           HA       LYS  22   7.813  13.010  -2.190
  183   1HB   LYS  22          2HB       LYS  22   5.809  12.334  -3.551
  184   2HB   LYS  22          1HB       LYS  22   5.513  14.040  -3.849
  185   1HG   LYS  22          2HG       LYS  22   7.055  14.130  -5.451
  186   2HG   LYS  22          1HG       LYS  22   8.242  13.265  -4.471
  187   1HD   LYS  22          2HD       LYS  22   7.936  11.469  -5.743
  188   2HD   LYS  22          1HD       LYS  22   6.260  11.394  -5.194
  189   1HE   LYS  22          2HE       LYS  22   6.145  11.468  -7.543
  190   2HE   LYS  22          1HE       LYS  22   5.744  13.098  -7.001
  191   1HZ   LYS  22          1HZ       LYS  22   7.240  13.458  -8.705
  192   2HZ   LYS  22          2HZ       LYS  22   8.210  12.135  -8.296
  193   3HZ   LYS  22          3HZ       LYS  22   8.241  13.532  -7.343
  194    H    ASN  23           H        ASN  23   5.632  15.708  -1.705
  195    HA   ASN  23           HA       ASN  23   7.306  17.687  -2.877
  196   1HB   ASN  23          2HB       ASN  23   4.829  17.910  -2.480
  197   2HB   ASN  23          1HB       ASN  23   5.185  18.118  -0.769
  198   1HD2  ASN  23          1HD2      ASN  23   4.807  20.173  -0.331
  199   2HD2  ASN  23          2HD2      ASN  23   5.430  21.522  -1.212
  200    H    SER  24           H        SER  24   7.115  16.227   0.280
  201    HA   SER  24           HA       SER  24   8.712  18.226   1.589
  202   1HB   SER  24          2HB       SER  24   6.979  16.473   2.576
  203   2HB   SER  24          1HB       SER  24   8.430  15.479   2.721
  204    HG   SER  24           HG       SER  24   7.645  17.624   4.197
  205    H    VAL  25           H        VAL  25  10.443  16.570   3.091
  206    HA   VAL  25           HA       VAL  25  12.401  15.836   1.017
  207    HB   VAL  25           HB       VAL  25  12.944  17.815   2.505
  208   1HG1  VAL  25          1HG1      VAL  25  14.055  16.812   4.721
  209   2HG1  VAL  25          2HG1      VAL  25  12.716  15.679   4.537
  210   3HG1  VAL  25          3HG1      VAL  25  12.397  17.409   4.663
  211   1HG2  VAL  25          1HG2      VAL  25  14.853  15.481   2.557
  212   2HG2  VAL  25          2HG2      VAL  25  15.282  17.178   2.757
  213   3HG2  VAL  25          3HG2      VAL  25  14.640  16.608   1.217
  214    H    GLY  26           H        GLY  26  10.406  14.558   3.373
  215   1HA   GLY  26          2HA       GLY  26  11.388  11.942   3.087
  216   2HA   GLY  26          1HA       GLY  26  12.022  12.601   4.587
  217    H    ARG  27           H        ARG  27  10.915  11.775   6.223
  218    HA   ARG  27           HA       ARG  27   9.204  11.207   7.605
  219   1HB   ARG  27          2HB       ARG  27   7.445  12.859   5.786
  220   2HB   ARG  27          1HB       ARG  27   7.105  12.395   7.447
  221   1HG   ARG  27          2HG       ARG  27   9.536  13.703   7.611
  222   2HG   ARG  27          1HG       ARG  27   8.624  14.634   6.419
  223   1HD   ARG  27          2HD       ARG  27   7.871  15.655   8.303
  224   2HD   ARG  27          1HD       ARG  27   6.705  14.335   8.231
  225    HE   ARG  27           HE       ARG  27   8.942  14.592  10.091
  226   1HH1  ARG  27          1HH1      ARG  27   6.231  12.744   8.913
  227   2HH1  ARG  27          2HH1      ARG  27   6.147  11.732  10.317
  228   1HH2  ARG  27          1HH2      ARG  27   8.834  13.268  11.942
  229   2HH2  ARG  27          2HH2      ARG  27   7.626  12.030  12.038
  230    H    TRP  28           H        TRP  28   9.573   9.055   6.669
  231    HA   TRP  28           HA       TRP  28   7.701   8.100   4.684
  232   1HB   TRP  28          2HB       TRP  28   9.802   6.704   6.348
  233   2HB   TRP  28          1HB       TRP  28   8.791   5.881   5.165
  234    HD1  TRP  28           HD       TRP  28  11.732   8.305   5.425
  235    HE1  TRP  28           1HE      TRP  28  12.859   8.483   3.118
  236    HE3  TRP  28           3HE      TRP  28   8.320   5.696   2.652
  237    HZ2  TRP  28           2HZ      TRP  28  12.366   7.630   0.473
  238    HZ3  TRP  28           3HZ      TRP  28   8.722   5.424   0.240
  239    HH2  TRP  28           HH       TRP  28  10.704   6.372  -0.826
  240    H    LYS  29           H        LYS  29   6.663   5.853   5.261
  241    HA   LYS  29           HA       LYS  29   5.685   5.640   7.976
  242   1HB   LYS  29          2HB       LYS  29   4.025   6.705   5.747
  243   2HB   LYS  29          1HB       LYS  29   3.263   5.548   6.830
  244   1HG   LYS  29          2HG       LYS  29   3.327   6.968   8.620
  245   2HG   LYS  29          1HG       LYS  29   4.740   7.837   8.021
  246   1HD   LYS  29          2HD       LYS  29   3.274   8.773   6.210
  247   2HD   LYS  29          1HD       LYS  29   1.896   8.060   7.053
  248   1HE   LYS  29          2HE       LYS  29   3.777   9.796   8.578
  249   2HE   LYS  29          1HE       LYS  29   2.619  10.555   7.486
  250   1HZ   LYS  29          1HZ       LYS  29   1.067   8.823   8.822
  251   2HZ   LYS  29          2HZ       LYS  29   1.268  10.447   9.250
  252   3HZ   LYS  29          3HZ       LYS  29   2.178   9.249  10.025
  253    H    GLU  30           H        GLU  30   5.154   3.534   8.456
  254    HA   GLU  30           HA       GLU  30   5.132   1.666   6.171
  255   1HB   GLU  30          2HB       GLU  30   5.977   0.627   8.808
  256   2HB   GLU  30          1HB       GLU  30   6.590   0.265   7.200
  257   1HG   GLU  30          2HG       GLU  30   7.409   2.829   7.497
  258   2HG   GLU  30          1HG       GLU  30   7.481   2.252   9.161
  259    H    ALA  31           H        ALA  31   3.586   0.170   6.042
  260    HA   ALA  31           HA       ALA  31   1.848  -0.367   8.334
  261   1HB   ALA  31          1HB       ALA  31  -0.017  -0.280   6.381
  262   2HB   ALA  31          2HB       ALA  31   1.055   1.016   5.854
  263   3HB   ALA  31          3HB       ALA  31   0.334   1.067   7.462
  264    H    THR  32           H        THR  32   1.926  -2.519   8.579
  265    HA   THR  32           HA       THR  32   2.411  -4.192   6.234
  266    HB   THR  32           HB       THR  32   2.397  -5.032   9.134
  267    HG1  THR  32           1HG      THR  32   4.051  -3.497   8.704
  268   1HG2  THR  32          1HG2      THR  32   2.088  -6.904   7.633
  269   2HG2  THR  32          2HG2      THR  32   3.734  -6.940   8.262
  270   3HG2  THR  32          3HG2      THR  32   3.430  -6.364   6.624
  271    H    ILE  33           H        ILE  33   1.056  -5.699   5.466
  272    HA   ILE  33           HA       ILE  33  -1.452  -6.226   6.897
  273    HB   ILE  33           HB       ILE  33  -1.498  -5.903   3.918
  274   1HG1  ILE  33          2HG1      ILE  33  -2.606  -3.568   4.972
  275   2HG1  ILE  33          1HG1      ILE  33  -1.100  -3.778   5.860
  276   1HG2  ILE  33          1HG2      ILE  33  -3.748  -6.021   4.125
  277   2HG2  ILE  33          2HG2      ILE  33  -3.762  -5.167   5.669
  278   3HG2  ILE  33          3HG2      ILE  33  -3.327  -6.875   5.609
  279   1HD1  ILE  33          1HD1      ILE  33  -0.092  -4.158   3.488
  280   2HD1  ILE  33          2HD1      ILE  33  -0.418  -2.525   4.069
  281   3HD1  ILE  33          3HD1      ILE  33  -1.541  -3.305   2.955
  282    HA   PRO  34           HA       PRO  34   0.207 -10.370   6.176
  283   1HB   PRO  34          2HB       PRO  34  -2.590 -10.973   7.028
  284   2HB   PRO  34          1HB       PRO  34  -1.068 -11.689   7.571
  285   1HG   PRO  34          2HG       PRO  34  -2.337  -9.923   9.093
  286   2HG   PRO  34          1HG       PRO  34  -0.569  -9.898   8.961
  287   1HD   PRO  34          2HD       PRO  34  -2.586  -8.082   7.729
  288   2HD   PRO  34          1HD       PRO  34  -0.954  -7.720   8.325
  289    H    GLY  35           H        GLY  35   0.320 -10.274   3.898
  290   1HA   GLY  35          2HA       GLY  35  -0.328 -10.672   1.726
  291   2HA   GLY  35          1HA       GLY  35  -1.194 -12.020   2.444
  292    H    HIS  36           H        HIS  36  -2.018  -8.711   3.202
  293    HA   HIS  36           HA       HIS  36  -3.954  -7.541   2.934
  294   1HB   HIS  36          2HB       HIS  36  -2.983  -8.257   0.359
  295   2HB   HIS  36          1HB       HIS  36  -4.738  -8.389   0.314
  296    HD2  HIS  36           2HD      HIS  36  -2.849  -5.577   2.296
  297    HE1  HIS  36           1HE      HIS  36  -5.066  -3.862  -0.876
  298    HE2  HIS  36           2HE      HIS  36  -3.491  -3.392   1.055
  299    H    LEU  37           H        LEU  37  -4.800  -9.196   4.523
  300    HA   LEU  37           HA       LEU  37  -6.503 -11.264   3.561
  301   1HB   LEU  37          2HB       LEU  37  -7.303 -11.407   5.928
  302   2HB   LEU  37          1HB       LEU  37  -5.584 -11.626   5.702
  303    HG   LEU  37           HG       LEU  37  -6.186 -10.335   7.733
  304   1HD1  LEU  37          1HD1      LEU  37  -4.464  -8.735   7.561
  305   2HD1  LEU  37          2HD1      LEU  37  -4.642  -8.622   5.811
  306   3HD1  LEU  37          3HD1      LEU  37  -3.997 -10.094   6.539
  307   1HD2  LEU  37          1HD2      LEU  37  -7.018  -8.107   7.617
  308   2HD2  LEU  37          2HD2      LEU  37  -8.132  -9.151   6.735
  309   3HD2  LEU  37          3HD2      LEU  37  -6.995  -8.131   5.853
  310    H    ASN  38           H        ASN  38  -6.865  -7.982   3.573
  311    HA   ASN  38           HA       ASN  38  -9.616  -8.147   2.822
  312   1HB   ASN  38          2HB       ASN  38 -10.660  -6.996   4.570
  313   2HB   ASN  38          1HB       ASN  38  -9.575  -8.097   5.413
  314   1HD2  ASN  38          1HD2      ASN  38 -10.770  -5.273   5.837
  315   2HD2  ASN  38          2HD2      ASN  38  -9.417  -4.369   6.419
  316    H    SER  39           H        SER  39 -10.443  -5.613   2.863
  317    HA   SER  39           HA       SER  39  -8.641  -4.336   1.011
  318   1HB   SER  39          2HB       SER  39 -10.552  -2.521   1.174
  319   2HB   SER  39          1HB       SER  39 -10.826  -4.036   0.312
  320    HG   SER  39           HG       SER  39 -12.112  -4.722   1.883
  321    H    TYR  40           H        TYR  40  -6.912  -3.362   1.857
  322    HA   TYR  40           HA       TYR  40  -7.316  -1.584   4.170
  323   1HB   TYR  40          2HB       TYR  40  -5.664  -3.671   4.193
  324   2HB   TYR  40          1HB       TYR  40  -4.585  -2.517   3.417
  325    HD1  TYR  40           1HD      TYR  40  -4.688  -0.087   4.669
  326    HD2  TYR  40           2HD      TYR  40  -5.409  -3.875   6.468
  327    HE1  TYR  40           1HE      TYR  40  -4.109   0.853   6.864
  328    HE2  TYR  40           2HE      TYR  40  -4.835  -2.944   8.669
  329    HH   TYR  40           HH       TYR  40  -3.661   0.373   9.014
  330    H    THR  41           H        THR  41  -7.545   0.427   3.436
  331    HA   THR  41           HA       THR  41  -5.715   1.354   1.320
  332    HB   THR  41           HB       THR  41  -8.020   1.466   0.576
  333    HG1  THR  41           1HG      THR  41  -6.723   3.193  -0.090
  334   1HG2  THR  41          1HG2      THR  41  -9.578   3.069   1.781
  335   2HG2  THR  41          2HG2      THR  41  -8.451   2.994   3.136
  336   3HG2  THR  41          3HG2      THR  41  -9.270   1.530   2.588
  337    H    ILE  42           H        ILE  42  -4.690   3.339   1.550
  338    HA   ILE  42           HA       ILE  42  -4.389   4.225   4.309
  339    HB   ILE  42           HB       ILE  42  -2.812   4.780   1.806
  340   1HG1  ILE  42          2HG1      ILE  42  -2.450   2.618   2.942
  341   2HG1  ILE  42          1HG1      ILE  42  -1.026   3.646   3.020
  342   1HG2  ILE  42          1HG2      ILE  42  -2.808   6.222   4.407
  343   2HG2  ILE  42          2HG2      ILE  42  -2.522   6.829   2.777
  344   3HG2  ILE  42          3HG2      ILE  42  -1.261   5.924   3.614
  345   1HD1  ILE  42          1HD1      ILE  42  -2.474   4.229   5.326
  346   2HD1  ILE  42          2HD1      ILE  42  -0.987   3.291   5.199
  347   3HD1  ILE  42          3HD1      ILE  42  -2.550   2.476   5.147
  348    H    LYS  43           H        LYS  43  -5.351   5.973   5.086
  349    HA   LYS  43           HA       LYS  43  -6.061   8.160   3.270
  350   1HB   LYS  43          2HB       LYS  43  -7.920   6.506   4.887
  351   2HB   LYS  43          1HB       LYS  43  -8.215   8.239   4.869
  352   1HG   LYS  43          2HG       LYS  43  -8.279   8.174   2.407
  353   2HG   LYS  43          1HG       LYS  43  -8.065   6.424   2.471
  354   1HD   LYS  43          2HD       LYS  43 -10.152   6.191   3.697
  355   2HD   LYS  43          1HD       LYS  43 -10.355   7.945   3.719
  356   1HE   LYS  43          2HE       LYS  43 -11.735   7.011   1.980
  357   2HE   LYS  43          1HE       LYS  43 -10.420   7.929   1.248
  358   1HZ   LYS  43          1HZ       LYS  43  -9.229   5.776   0.983
  359   2HZ   LYS  43          2HZ       LYS  43 -10.643   5.900   0.064
  360   3HZ   LYS  43          3HZ       LYS  43 -10.636   4.980   1.483
  361    H    GLY  44           H        GLY  44  -6.592  10.176   4.430
  362   1HA   GLY  44          2HA       GLY  44  -6.578  11.350   6.587
  363   2HA   GLY  44          1HA       GLY  44  -5.250  10.301   7.059
  364    H    LEU  45           H        LEU  45  -4.758  11.010   3.892
  365    HA   LEU  45           HA       LEU  45  -2.599  12.793   4.481
  366   1HB   LEU  45          2HB       LEU  45  -3.665  12.104   1.739
  367   2HB   LEU  45          1HB       LEU  45  -2.048  12.641   2.166
  368    HG   LEU  45           HG       LEU  45  -3.146  10.048   3.203
  369   1HD1  LEU  45          1HD1      LEU  45  -1.520  10.303   0.693
  370   2HD1  LEU  45          2HD1      LEU  45  -3.278  10.169   0.688
  371   3HD1  LEU  45          3HD1      LEU  45  -2.296   8.863   1.353
  372   1HD2  LEU  45          1HD2      LEU  45  -0.753   9.472   3.317
  373   2HD2  LEU  45          2HD2      LEU  45  -1.169  10.871   4.309
  374   3HD2  LEU  45          3HD2      LEU  45  -0.359  11.098   2.760
  375    H    LYS  46           H        LYS  46  -2.677  14.500   2.212
  376    HA   LYS  46           HA       LYS  46  -5.087  16.086   2.566
  377   1HB   LYS  46          2HB       LYS  46  -3.370  16.860   4.227
  378   2HB   LYS  46          1HB       LYS  46  -2.346  17.305   2.869
  379   1HG   LYS  46          2HG       LYS  46  -4.225  18.785   2.084
  380   2HG   LYS  46          1HG       LYS  46  -5.002  18.479   3.639
  381   1HD   LYS  46          2HD       LYS  46  -3.425  19.670   4.814
  382   2HD   LYS  46          1HD       LYS  46  -2.166  19.395   3.609
  383   1HE   LYS  46          2HE       LYS  46  -3.927  21.632   3.909
  384   2HE   LYS  46          1HE       LYS  46  -2.572  21.425   2.802
  385   1HZ   LYS  46          1HZ       LYS  46  -5.367  20.538   2.324
  386   2HZ   LYS  46          2HZ       LYS  46  -4.072  20.279   1.268
  387   3HZ   LYS  46          3HZ       LYS  46  -4.598  21.853   1.589
  388    HA   PRO  47           HA       PRO  47  -4.733  16.441  -1.840
  389   1HB   PRO  47          2HB       PRO  47  -6.192  18.995  -1.439
  390   2HB   PRO  47          1HB       PRO  47  -6.602  17.613  -2.459
  391   1HG   PRO  47          2HG       PRO  47  -7.924  18.081  -0.190
  392   2HG   PRO  47          1HG       PRO  47  -7.545  16.428  -0.706
  393   1HD   PRO  47          2HD       PRO  47  -6.236  18.110   1.391
  394   2HD   PRO  47          1HD       PRO  47  -6.577  16.367   1.390
  395    H    GLY  48           H        GLY  48  -3.673  17.735  -3.409
  396   1HA   GLY  48          2HA       GLY  48  -2.309  19.469  -4.174
  397   2HA   GLY  48          1HA       GLY  48  -2.400  20.208  -2.581
  398    H    VAL  49           H        VAL  49  -1.677  17.487  -1.436
  399    HA   VAL  49           HA       VAL  49   1.224  17.707  -1.894
  400    HB   VAL  49           HB       VAL  49   0.363  16.238   0.497
  401   1HG1  VAL  49          1HG1      VAL  49   2.114  17.712   1.516
  402   2HG1  VAL  49          2HG1      VAL  49   2.346  18.428  -0.079
  403   3HG1  VAL  49          3HG1      VAL  49   2.672  16.713   0.174
  404   1HG2  VAL  49          1HG2      VAL  49  -1.095  17.699   1.316
  405   2HG2  VAL  49          2HG2      VAL  49  -0.856  18.780  -0.056
  406   3HG2  VAL  49          3HG2      VAL  49   0.197  18.900   1.353
  407    H    VAL  50           H        VAL  50   2.062  16.092  -3.030
  408    HA   VAL  50           HA       VAL  50   0.608  13.634  -3.421
  409    HB   VAL  50           HB       VAL  50   3.351  14.431  -4.408
  410   1HG1  VAL  50          1HG1      VAL  50   2.440  11.912  -4.272
  411   2HG1  VAL  50          2HG1      VAL  50   3.480  12.494  -5.573
  412   3HG1  VAL  50          3HG1      VAL  50   1.735  12.395  -5.816
  413   1HG2  VAL  50          1HG2      VAL  50   1.591  15.914  -5.232
  414   2HG2  VAL  50          2HG2      VAL  50   0.676  14.519  -5.804
  415   3HG2  VAL  50          3HG2      VAL  50   2.236  14.908  -6.529
  416    H    TYR  51           H        TYR  51   1.204  11.585  -2.788
  417    HA   TYR  51           HA       TYR  51   3.401  11.404  -0.834
  418   1HB   TYR  51          2HB       TYR  51   0.609  10.295  -0.681
  419   2HB   TYR  51          1HB       TYR  51   1.928   9.543   0.206
  420    HD1  TYR  51           1HD      TYR  51   3.013  10.725   2.059
  421    HD2  TYR  51           2HD      TYR  51  -0.285  12.433  -0.017
  422    HE1  TYR  51           1HE      TYR  51   2.706  12.338   3.888
  423    HE2  TYR  51           2HE      TYR  51  -0.603  14.049   1.809
  424    HH   TYR  51           HH       TYR  51   0.063  13.974   4.473
  425    H    GLU  52           H        GLU  52   4.939  10.364  -1.966
  426    HA   GLU  52           HA       GLU  52   4.299   8.313  -3.877
  427   1HB   GLU  52          2HB       GLU  52   6.738   8.133  -4.171
  428   2HB   GLU  52          1HB       GLU  52   6.186   9.797  -4.300
  429   1HG   GLU  52          2HG       GLU  52   7.003  10.311  -2.117
  430   2HG   GLU  52          1HG       GLU  52   7.363   8.615  -1.798
  431    H    GLY  53           H        GLY  53   4.239   6.188  -3.548
  432   1HA   GLY  53          2HA       GLY  53   5.409   5.127  -1.064
  433   2HA   GLY  53          1HA       GLY  53   3.745   4.755  -1.483
  434    H    GLN  54           H        GLN  54   5.666   2.809  -1.027
  435    HA   GLN  54           HA       GLN  54   5.822   1.570  -3.682
  436   1HB   GLN  54          2HB       GLN  54   7.953   0.864  -1.747
  437   2HB   GLN  54          1HB       GLN  54   8.027   1.009  -3.496
  438   1HG   GLN  54          2HG       GLN  54   7.799   3.553  -3.036
  439   2HG   GLN  54          1HG       GLN  54   8.321   3.121  -1.409
  440   1HE2  GLN  54          1HE2      GLN  54   9.630   4.692  -3.546
  441   2HE2  GLN  54          2HE2      GLN  54  11.171   3.946  -3.781
  442    H    LEU  55           H        LEU  55   5.272  -0.563  -3.755
  443    HA   LEU  55           HA       LEU  55   4.230  -1.719  -1.274
  444   1HB   LEU  55          2HB       LEU  55   3.000  -1.460  -3.641
  445   2HB   LEU  55          1HB       LEU  55   3.770  -3.010  -3.910
  446    HG   LEU  55           HG       LEU  55   1.432  -3.185  -3.103
  447   1HD1  LEU  55          1HD1      LEU  55   3.682  -4.619  -2.278
  448   2HD1  LEU  55          2HD1      LEU  55   2.002  -5.154  -2.266
  449   3HD1  LEU  55          3HD1      LEU  55   2.697  -4.401  -0.831
  450   1HD2  LEU  55          1HD2      LEU  55   1.360  -2.818  -0.483
  451   2HD2  LEU  55          2HD2      LEU  55   0.964  -1.526  -1.616
  452   3HD2  LEU  55          3HD2      LEU  55   2.561  -1.587  -0.873
  453    H    ILE  56           H        ILE  56   5.738  -2.876  -0.253
  454    HA   ILE  56           HA       ILE  56   7.488  -4.610  -1.858
  455    HB   ILE  56           HB       ILE  56   7.917  -3.496   0.913
  456   1HG1  ILE  56          2HG1      ILE  56   9.993  -2.579  -0.454
  457   2HG1  ILE  56          1HG1      ILE  56   8.897  -2.782  -1.816
  458   1HG2  ILE  56          1HG2      ILE  56   8.827  -5.766   0.681
  459   2HG2  ILE  56          2HG2      ILE  56  10.099  -4.555   0.853
  460   3HG2  ILE  56          3HG2      ILE  56   9.743  -5.242  -0.733
  461   1HD1  ILE  56          1HD1      ILE  56   8.602  -0.995   0.569
  462   2HD1  ILE  56          2HD1      ILE  56   7.235  -1.409  -0.466
  463   3HD1  ILE  56          3HD1      ILE  56   8.629  -0.565  -1.141
  464    H    SER  57           H        SER  57   6.903  -6.664  -1.873
  465    HA   SER  57           HA       SER  57   5.335  -7.750   0.330
  466   1HB   SER  57          2HB       SER  57   6.106  -9.425  -2.011
  467   2HB   SER  57          1HB       SER  57   4.579  -9.355  -1.125
  468    HG   SER  57           HG       SER  57   4.736  -8.400  -3.363
  469    H    ILE  58           H        ILE  58   6.319  -8.696   1.953
  470    HA   ILE  58           HA       ILE  58   9.026  -9.747   1.580
  471    HB   ILE  58           HB       ILE  58   7.545  -9.048   4.114
  472   1HG1  ILE  58          2HG1      ILE  58  10.049  -7.736   3.104
  473   2HG1  ILE  58          1HG1      ILE  58   8.480  -7.240   2.478
  474   1HG2  ILE  58          1HG2      ILE  58  10.141 -10.418   3.627
  475   2HG2  ILE  58          2HG2      ILE  58   8.936 -10.692   4.886
  476   3HG2  ILE  58          3HG2      ILE  58  10.017  -9.302   4.988
  477   1HD1  ILE  58          1HD1      ILE  58   9.765  -6.400   4.833
  478   2HD1  ILE  58          2HD1      ILE  58   8.347  -7.330   5.319
  479   3HD1  ILE  58          3HD1      ILE  58   8.168  -5.948   4.239
  480    H    GLN  59           H        GLN  59   9.243 -11.822   1.271
  481    HA   GLN  59           HA       GLN  59   7.193 -13.703   2.118
  482   1HB   GLN  59          2HB       GLN  59   9.257 -13.624   0.064
  483   2HB   GLN  59          1HB       GLN  59   9.249 -15.151   0.936
  484   1HG   GLN  59          2HG       GLN  59   6.738 -13.973  -0.198
  485   2HG   GLN  59          1HG       GLN  59   7.824 -14.970  -1.168
  486   1HE2  GLN  59          1HE2      GLN  59   8.571 -16.965   0.354
  487   2HE2  GLN  59          2HE2      GLN  59   7.228 -17.879   0.945
  488    H    GLN  60           H        GLN  60   8.454 -15.979   2.691
  489    HA   GLN  60           HA       GLN  60   9.289 -15.657   5.344
  490   1HB   GLN  60          2HB       GLN  60   9.791 -18.014   5.323
  491   2HB   GLN  60          1HB       GLN  60   8.323 -17.741   4.394
  492   1HG   GLN  60          2HG       GLN  60   9.865 -17.710   2.346
  493   2HG   GLN  60          1HG       GLN  60  11.063 -18.437   3.414
  494   1HE2  GLN  60          1HE2      GLN  60   8.299 -18.951   1.499
  495   2HE2  GLN  60          2HE2      GLN  60   8.086 -20.632   1.838
  496    H    TYR  61           H        TYR  61  11.071 -15.477   2.384
  497    HA   TYR  61           HA       TYR  61  13.616 -15.642   3.842
  498   1HB   TYR  61          2HB       TYR  61  14.451 -15.460   1.315
  499   2HB   TYR  61          1HB       TYR  61  13.977 -16.991   2.039
  500    HD1  TYR  61           1HD      TYR  61  12.806 -14.239  -0.146
  501    HD2  TYR  61           2HD      TYR  61  12.152 -18.225   1.190
  502    HE1  TYR  61           1HE      TYR  61  11.135 -14.553  -1.922
  503    HE2  TYR  61           2HE      TYR  61  10.479 -18.551  -0.582
  504    HH   TYR  61           HH       TYR  61   9.894 -16.087  -3.034
  505    H    GLY  62           H        GLY  62  11.561 -13.321   3.516
  506   1HA   GLY  62          2HA       GLY  62  12.187 -11.059   4.003
  507   2HA   GLY  62          1HA       GLY  62  13.639 -11.292   3.042
  508    H    HIS  63           H        HIS  63  12.677  -9.112   2.315
  509    HA   HIS  63           HA       HIS  63  10.420  -8.861   0.748
  510   1HB   HIS  63          2HB       HIS  63  11.445  -6.901  -0.219
  511   2HB   HIS  63          1HB       HIS  63  11.876  -6.986   1.484
  512    HD2  HIS  63           2HD      HIS  63  14.491  -8.880   1.316
  513    HE1  HIS  63           1HE      HIS  63  15.864  -6.018  -1.482
  514    HE2  HIS  63           2HE      HIS  63  16.559  -7.795   0.186
  515    H    GLN  64           H        GLN  64  10.258  -8.600  -1.628
  516    HA   GLN  64           HA       GLN  64  12.164  -9.828  -3.348
  517   1HB   GLN  64          2HB       GLN  64  10.767 -11.783  -3.997
  518   2HB   GLN  64          1HB       GLN  64  11.393 -11.882  -2.357
  519   1HG   GLN  64          2HG       GLN  64   9.351 -12.018  -1.501
  520   2HG   GLN  64          1HG       GLN  64   8.813 -10.600  -2.400
  521   1HE2  GLN  64          1HE2      GLN  64   7.226 -12.855  -1.874
  522   2HE2  GLN  64          2HE2      GLN  64   6.845 -13.611  -3.380
  523    H    GLU  65           H        GLU  65   9.098  -8.382  -2.740
  524    HA   GLU  65           HA       GLU  65   8.781  -7.851  -5.625
  525   1HB   GLU  65          2HB       GLU  65   7.028  -9.247  -4.029
  526   2HB   GLU  65          1HB       GLU  65   6.355  -7.624  -3.997
  527   1HG   GLU  65          2HG       GLU  65   7.040  -8.223  -6.680
  528   2HG   GLU  65          1HG       GLU  65   6.153  -9.597  -6.024
  529    H    VAL  66           H        VAL  66   8.773  -5.754  -6.206
  530    HA   VAL  66           HA       VAL  66   8.073  -3.736  -4.187
  531    HB   VAL  66           HB       VAL  66  10.466  -3.515  -6.017
  532   1HG1  VAL  66          1HG1      VAL  66   9.125  -1.640  -4.116
  533   2HG1  VAL  66          2HG1      VAL  66   9.783  -1.331  -5.724
  534   3HG1  VAL  66          3HG1      VAL  66  10.871  -1.542  -4.353
  535   1HG2  VAL  66          1HG2      VAL  66  11.852  -3.979  -4.220
  536   2HG2  VAL  66          2HG2      VAL  66  10.526  -5.117  -3.972
  537   3HG2  VAL  66          3HG2      VAL  66  10.599  -3.628  -3.030
  538    H    THR  67           H        THR  67   6.799  -2.127  -4.901
  539    HA   THR  67           HA       THR  67   6.582  -1.636  -7.787
  540    HB   THR  67           HB       THR  67   4.100  -1.768  -6.091
  541    HG1  THR  67           1HG      THR  67   4.465  -3.898  -7.762
  542   1HG2  THR  67          1HG2      THR  67   2.947  -1.560  -8.054
  543   2HG2  THR  67          2HG2      THR  67   4.193  -2.375  -8.999
  544   3HG2  THR  67          3HG2      THR  67   4.417  -0.696  -8.506
  545    H    ARG  68           H        ARG  68   6.760   0.484  -8.206
  546    HA   ARG  68           HA       ARG  68   6.406   2.378  -6.001
  547   1HB   ARG  68          2HB       ARG  68   7.507   3.095  -8.699
  548   2HB   ARG  68          1HB       ARG  68   7.823   3.847  -7.140
  549   1HG   ARG  68          2HG       ARG  68   9.398   2.312  -6.561
  550   2HG   ARG  68          1HG       ARG  68   8.645   1.021  -7.498
  551   1HD   ARG  68          2HD       ARG  68   9.741   3.316  -9.012
  552   2HD   ARG  68          1HD       ARG  68  10.905   2.237  -8.244
  553    HE   ARG  68           HE       ARG  68   8.885   0.870  -9.768
  554   1HH1  ARG  68          1HH1      ARG  68  11.989   2.449  -9.895
  555   2HH1  ARG  68          2HH1      ARG  68  12.509   1.592 -11.308
  556   1HH2  ARG  68          1HH2      ARG  68   9.565  -0.265 -11.625
  557   2HH2  ARG  68          2HH2      ARG  68  11.133   0.050 -12.290
  558    H    PHE  69           H        PHE  69   4.874   3.919  -5.955
  559    HA   PHE  69           HA       PHE  69   3.444   4.715  -8.334
  560   1HB   PHE  69          2HB       PHE  69   1.202   4.194  -7.148
  561   2HB   PHE  69          1HB       PHE  69   2.042   2.889  -7.976
  562    HD1  PHE  69           1HD      PHE  69   1.919   0.887  -6.887
  563    HD2  PHE  69           2HD      PHE  69   2.202   4.454  -4.581
  564    HE1  PHE  69           1HE      PHE  69   1.870  -0.448  -4.821
  565    HE2  PHE  69           2HE      PHE  69   2.158   3.124  -2.511
  566    HZ   PHE  69           HZ       PHE  69   1.990   0.669  -2.630
  567    H    ASP  70           H        ASP  70   1.943   6.481  -7.953
  568    HA   ASP  70           HA       ASP  70   2.670   8.041  -5.561
  569   1HB   ASP  70          2HB       ASP  70   1.604   9.086  -8.197
  570   2HB   ASP  70          1HB       ASP  70   2.208  10.044  -6.847
  571    H    PHE  71           H        PHE  71   1.056   8.680  -4.186
  572    HA   PHE  71           HA       PHE  71  -1.701   8.600  -5.099
  573   1HB   PHE  71          2HB       PHE  71  -2.438   6.840  -3.831
  574   2HB   PHE  71          1HB       PHE  71  -0.811   6.282  -4.206
  575    HD1  PHE  71           1HD      PHE  71   1.032   6.890  -2.465
  576    HD2  PHE  71           2HD      PHE  71  -3.144   6.907  -1.635
  577    HE1  PHE  71           1HE      PHE  71   1.510   6.681  -0.062
  578    HE2  PHE  71           2HE      PHE  71  -2.671   6.697   0.768
  579    HZ   PHE  71           HZ       PHE  71  -0.341   6.586   1.559
  580    H    THR  72           H        THR  72  -3.142   9.745  -3.865
  581    HA   THR  72           HA       THR  72  -2.335  10.900  -1.336
  582    HB   THR  72           HB       THR  72  -2.221  13.088  -1.909
  583    HG1  THR  72           1HG      THR  72  -3.717  14.064  -3.153
  584   1HG2  THR  72          1HG2      THR  72  -1.965  12.391  -4.796
  585   2HG2  THR  72          2HG2      THR  72  -0.817  11.690  -3.656
  586   3HG2  THR  72          3HG2      THR  72  -0.962  13.442  -3.797
  587    H    THR  73           H        THR  73  -4.129  11.607  -0.087
  588    HA   THR  73           HA       THR  73  -6.567  10.262  -0.700
  589    HB   THR  73           HB       THR  73  -5.660  10.769   1.639
  590    HG1  THR  73           1HG      THR  73  -7.744   9.921   1.339
  591   1HG2  THR  73          1HG2      THR  73  -5.957  12.831   2.620
  592   2HG2  THR  73          2HG2      THR  73  -7.226  13.305   1.491
  593   3HG2  THR  73          3HG2      THR  73  -5.540  13.308   0.974
  594    H    THR  74           H        THR  74  -8.561  11.091  -1.292
  595    HA   THR  74           HA       THR  74 -10.042  12.468  -2.334
  596    HB   THR  74           HB       THR  74  -8.351  14.732  -1.334
  597    HG1  THR  74           1HG      THR  74  -9.252  13.157   0.265
  598   1HG2  THR  74          1HG2      THR  74 -10.324  16.088  -1.566
  599   2HG2  THR  74          2HG2      THR  74 -11.277  14.683  -2.045
  600   3HG2  THR  74          3HG2      THR  74 -10.006  15.289  -3.106
  601    H    SER  75           H        SER  75  -7.292  14.639  -2.753
  602    HA   SER  75           HA       SER  75  -7.712  14.805  -5.571
  603   1HB   SER  75          2HB       SER  75  -6.800  16.640  -4.063
  604   2HB   SER  75          1HB       SER  75  -5.274  15.756  -4.059
  605    HG   SER  75           HG       SER  75  -4.929  16.900  -5.797
  606    H    THR  76           H        THR  76  -5.362  14.794  -6.820
  607    HA   THR  76           HA       THR  76  -3.846  12.404  -6.224
  608    HB   THR  76           HB       THR  76  -4.625  12.189  -8.990
  609    HG1  THR  76           1HG      THR  76  -6.835  11.360  -7.735
  610   1HG2  THR  76          1HG2      THR  76  -4.637   9.953  -8.519
  611   2HG2  THR  76          2HG2      THR  76  -5.405  10.176  -6.947
  612   3HG2  THR  76          3HG2      THR  76  -3.686  10.519  -7.145
  613    H    SER  77           H        SER  77  -2.262  12.008  -8.181
  614    HA   SER  77           HA       SER  77  -1.093  14.629  -8.791
  615   1HB   SER  77          2HB       SER  77   0.506  12.217  -9.354
  616   2HB   SER  77          1HB       SER  77   0.957  13.702  -8.517
  617    HG   SER  77           HG       SER  77   0.402  11.375  -7.441
  618    H    THR  78           H        THR  78  -2.381  11.752 -10.267
  619    HA   THR  78           HA       THR  78  -2.331  13.069 -12.855
  620    HB   THR  78           HB       THR  78  -1.585  10.524 -13.609
  621    HG1  THR  78           1HG      THR  78  -0.918  10.158 -11.390
  622   1HG2  THR  78          1HG2      THR  78  -0.518  12.020 -14.901
  623   2HG2  THR  78          2HG2      THR  78   0.773  11.911 -13.706
  624   3HG2  THR  78          3HG2      THR  78  -0.416  13.208 -13.602
  625    HA   PRO  79           HA       PRO  79  -6.248  10.962 -12.912
  626   1HB   PRO  79          2HB       PRO  79  -7.126  11.802 -15.301
  627   2HB   PRO  79          1HB       PRO  79  -6.973  12.910 -13.932
  628   1HG   PRO  79          2HG       PRO  79  -5.152  12.525 -16.271
  629   2HG   PRO  79          1HG       PRO  79  -5.656  14.027 -15.478
  630   1HD   PRO  79          2HD       PRO  79  -3.253  12.755 -15.028
  631   2HD   PRO  79          1HD       PRO  79  -4.032  13.863 -13.881
  632    H    GLY  80           H        GLY  80  -5.833   8.777 -13.024
  633   1HA   GLY  80          2HA       GLY  80  -5.840   7.633 -15.715
  634   2HA   GLY  80          1HA       GLY  80  -4.507   7.188 -14.662
  635    H    SER  81           H        SER  81  -5.155   5.002 -14.770
  636    HA   SER  81           HA       SER  81  -7.666   4.372 -13.376
  637   1HB   SER  81          2HB       SER  81  -7.025   3.449 -15.757
  638   2HB   SER  81          1HB       SER  81  -6.062   2.301 -14.827
  639    HG   SER  81           HG       SER  81  -8.000   1.767 -13.689
  640    H    ARG  82           H        ARG  82  -4.710   4.966 -12.469
  641    HA   ARG  82           HA       ARG  82  -4.219   2.557 -10.896
  642   1HB   ARG  82          2HB       ARG  82  -2.555   5.060 -10.798
  643   2HB   ARG  82          1HB       ARG  82  -2.072   3.405 -10.455
  644   1HG   ARG  82          2HG       ARG  82  -2.588   2.985 -12.952
  645   2HG   ARG  82          1HG       ARG  82  -2.485   4.743 -13.095
  646   1HD   ARG  82          2HD       ARG  82  -0.239   4.766 -12.363
  647   2HD   ARG  82          1HD       ARG  82  -0.327   3.097 -11.802
  648    HE   ARG  82           HE       ARG  82  -0.755   2.735 -14.380
  649   1HH1  ARG  82          1HH1      ARG  82   1.554   4.817 -12.802
  650   2HH1  ARG  82          2HH1      ARG  82   2.712   4.720 -14.088
  651   1HH2  ARG  82          1HH2      ARG  82   0.760   2.606 -16.075
  652   2HH2  ARG  82          2HH2      ARG  82   2.259   3.463 -15.950
  653    H    SER  83           H        SER  83  -6.482   4.475 -10.435
  654    HA   SER  83           HA       SER  83  -5.812   5.381  -7.720
  655   1HB   SER  83          2HB       SER  83  -8.096   6.169  -9.545
  656   2HB   SER  83          1HB       SER  83  -7.869   6.771  -7.903
  657    HG   SER  83           HG       SER  83  -6.890   8.269  -9.118
  658    H    HIS  84           H        HIS  84  -8.197   5.497  -6.500
  659    HA   HIS  84           HA       HIS  84  -8.785   2.700  -6.042
  660   1HB   HIS  84          2HB       HIS  84  -9.516   5.262  -4.648
  661   2HB   HIS  84          1HB       HIS  84 -10.335   3.756  -4.248
  662    HD2  HIS  84           2HD      HIS  84  -7.450   5.712  -3.035
  663    HE1  HIS  84           1HE      HIS  84  -6.491   1.675  -2.199
  664    HE2  HIS  84           2HE      HIS  84  -6.005   4.094  -1.611
  665    H    HIS  85           H        HIS  85  -9.675   2.727  -8.369
  666    HA   HIS  85           HA       HIS  85 -12.190   3.909  -8.897
  667   1HB   HIS  85          2HB       HIS  85 -10.458   1.881 -10.192
  668   2HB   HIS  85          1HB       HIS  85 -12.169   1.818 -10.604
  669    HD2  HIS  85           2HD      HIS  85  -9.021   3.781 -11.462
  670    HE1  HIS  85           1HE      HIS  85 -12.309   5.819 -13.178
  671    HE2  HIS  85           2HE      HIS  85  -9.784   5.755 -12.962
  672    H    HIS  86           H        HIS  86 -14.170   2.596  -9.412
  673    HA   HIS  86           HA       HIS  86 -15.926   1.369  -8.653
  674   1HB   HIS  86          2HB       HIS  86 -13.851  -0.395  -9.155
  675   2HB   HIS  86          1HB       HIS  86 -14.383  -0.845  -7.539
  676    HD2  HIS  86           2HD      HIS  86 -15.933  -2.990  -7.935
  677    HE1  HIS  86           1HE      HIS  86 -18.220  -1.419 -11.131
  678    HE2  HIS  86           2HE      HIS  86 -17.799  -3.453  -9.678
  679    H    HIS  87           H        HIS  87 -16.268   2.957  -6.975
  680    HA   HIS  87           HA       HIS  87 -15.436   2.111  -4.292
  681   1HB   HIS  87          2HB       HIS  87 -16.373   4.425  -3.668
  682   2HB   HIS  87          1HB       HIS  87 -14.871   4.371  -4.586
  683    HD2  HIS  87           2HD      HIS  87 -14.992   5.369  -7.166
  684    HE1  HIS  87           1HE      HIS  87 -18.987   6.729  -6.850
  685    HE2  HIS  87           2HE      HIS  87 -16.941   6.618  -8.340
  686    H    HIS  88           H        HIS  88 -17.158   0.354  -4.908
  687    HA   HIS  88           HA       HIS  88 -19.775   1.281  -3.919
  688   1HB   HIS  88          2HB       HIS  88 -19.031  -0.612  -6.080
  689   2HB   HIS  88          1HB       HIS  88 -20.415  -1.054  -5.089
  690    HD2  HIS  88           2HD      HIS  88 -19.984   0.504  -8.302
  691    HE1  HIS  88           1HE      HIS  88 -23.065   2.786  -6.509
  692    HE2  HIS  88           2HE      HIS  88 -21.781   2.343  -8.650
  693    H    HIS  89           H        HIS  89 -20.940  -0.148  -2.523
  694    HA   HIS  89           HA       HIS  89 -19.178  -1.623  -0.748
  695   1HB   HIS  89          2HB       HIS  89 -21.635  -0.184  -0.472
  696   2HB   HIS  89          1HB       HIS  89 -21.885  -1.833   0.092
  697    HD2  HIS  89           2HD      HIS  89 -20.992  -2.331   2.581
  698    HE1  HIS  89           1HE      HIS  89 -18.668   1.181   3.005
  699    HE2  HIS  89           2HE      HIS  89 -19.402  -0.976   4.120
  Start of MODEL   26
    1   1H    MET   1          1HT       MET   1 -15.527  -8.308 -25.688
    2   2H    MET   1          2HT       MET   1 -14.847  -9.161 -24.396
    3   3H    MET   1          3HT       MET   1 -15.045  -9.916 -25.896
    4    HA   MET   1           HA       MET   1 -13.429  -8.502 -26.913
    5   1HB   MET   1          2HB       MET   1 -13.901  -7.010 -24.427
    6   2HB   MET   1          1HB       MET   1 -12.207  -7.111 -24.885
    7   1HG   MET   1          2HG       MET   1 -14.443  -6.075 -26.609
    8   2HG   MET   1          1HG       MET   1 -13.246  -5.099 -25.760
    9   1HE   MET   1          1HE       MET   1  -9.957  -5.871 -27.617
   10   2HE   MET   1          2HE       MET   1 -10.615  -6.182 -26.010
   11   3HE   MET   1          3HE       MET   1 -10.798  -4.589 -26.745
   12    H    ARG   2           H        ARG   2 -10.974  -8.125 -25.614
   13    HA   ARG   2           HA       ARG   2 -10.385 -10.868 -24.716
   14   1HB   ARG   2          2HB       ARG   2  -8.368  -9.013 -25.956
   15   2HB   ARG   2          1HB       ARG   2  -8.289 -10.761 -25.790
   16   1HG   ARG   2          2HG       ARG   2 -10.499  -9.651 -27.419
   17   2HG   ARG   2          1HG       ARG   2  -8.867  -9.572 -28.086
   18   1HD   ARG   2          2HD       ARG   2  -8.815 -12.095 -27.294
   19   2HD   ARG   2          1HD       ARG   2 -10.563 -11.935 -27.468
   20    HE   ARG   2           HE       ARG   2  -9.171 -10.965 -29.759
   21   1HH1  ARG   2          1HH1      ARG   2 -10.274 -13.869 -28.182
   22   2HH1  ARG   2          2HH1      ARG   2 -10.375 -14.782 -29.650
   23   1HH2  ARG   2          1HH2      ARG   2  -9.298 -12.160 -31.698
   24   2HH2  ARG   2          2HH2      ARG   2  -9.817 -13.811 -31.648
   25    H    GLY   3           H        GLY   3 -10.447 -10.666 -22.527
   26   1HA   GLY   3          2HA       GLY   3  -8.605  -8.677 -21.346
   27   2HA   GLY   3          1HA       GLY   3 -10.124  -9.137 -20.592
   28    H    SER   4           H        SER   4  -8.385  -9.433 -18.833
   29    HA   SER   4           HA       SER   4  -7.865 -12.285 -18.660
   30   1HB   SER   4          2HB       SER   4  -5.792 -10.467 -19.348
   31   2HB   SER   4          1HB       SER   4  -5.502 -10.990 -17.689
   32    HG   SER   4           HG       SER   4  -4.579 -12.364 -19.347
   33    H    ASN   5           H        ASN   5  -6.498  -9.582 -16.821
   34    HA   ASN   5           HA       ASN   5  -6.585  -9.061 -14.608
   35   1HB   ASN   5          2HB       ASN   5  -9.434  -9.656 -15.313
   36   2HB   ASN   5          1HB       ASN   5  -9.013  -9.307 -13.641
   37   1HD2  ASN   5          1HD2      ASN   5 -10.712  -7.626 -14.678
   38   2HD2  ASN   5          2HD2      ASN   5  -9.978  -6.122 -15.105
   39    H    ALA   6           H        ALA   6  -5.194 -10.975 -14.258
   40    HA   ALA   6           HA       ALA   6  -6.563 -13.190 -12.907
   41   1HB   ALA   6          1HB       ALA   6  -4.736 -13.412 -14.790
   42   2HB   ALA   6          2HB       ALA   6  -4.802 -14.549 -13.443
   43   3HB   ALA   6          3HB       ALA   6  -3.633 -13.230 -13.425
   44    HA   PRO   7           HA       PRO   7  -5.033 -11.476  -9.084
   45   1HB   PRO   7          2HB       PRO   7  -6.339 -13.144  -7.425
   46   2HB   PRO   7          1HB       PRO   7  -7.170 -11.878  -8.331
   47   1HG   PRO   7          2HG       PRO   7  -7.165 -14.800  -8.754
   48   2HG   PRO   7          1HG       PRO   7  -8.387 -13.600  -9.198
   49   1HD   PRO   7          2HD       PRO   7  -6.407 -14.779 -10.878
   50   2HD   PRO   7          1HD       PRO   7  -7.567 -13.506 -11.300
   51    H    GLN   8           H        GLN   8  -4.226 -12.547  -6.912
   52    HA   GLN   8           HA       GLN   8  -1.959 -14.173  -7.642
   53   1HB   GLN   8          2HB       GLN   8  -2.309 -13.812  -4.795
   54   2HB   GLN   8          1HB       GLN   8  -0.987 -13.303  -5.831
   55   1HG   GLN   8          2HG       GLN   8  -2.314 -11.323  -6.484
   56   2HG   GLN   8          1HG       GLN   8  -3.559 -11.820  -5.339
   57   1HE2  GLN   8          1HE2      GLN   8  -3.313  -9.900  -4.176
   58   2HE2  GLN   8          2HE2      GLN   8  -1.959  -9.631  -3.139
   59    HA   PRO   9           HA       PRO   9  -3.957 -18.059  -6.813
   60   1HB   PRO   9          2HB       PRO   9  -1.659 -19.554  -6.583
   61   2HB   PRO   9          1HB       PRO   9  -2.411 -19.117  -8.120
   62   1HG   PRO   9          2HG       PRO   9  -0.096 -17.851  -6.714
   63   2HG   PRO   9          1HG       PRO   9  -0.317 -18.180  -8.443
   64   1HD   PRO   9          2HD       PRO   9  -0.661 -15.720  -7.412
   65   2HD   PRO   9          1HD       PRO   9  -1.653 -16.318  -8.757
   66    H    SER  10           H        SER  10  -1.197 -16.975  -4.875
   67    HA   SER  10           HA       SER  10  -2.518 -18.110  -2.502
   68   1HB   SER  10          2HB       SER  10   0.181 -18.612  -3.531
   69   2HB   SER  10          1HB       SER  10   0.158 -18.120  -1.837
   70    HG   SER  10           HG       SER  10  -1.794 -19.906  -2.300
   71    H    HIS  11           H        HIS  11  -1.101 -17.151  -0.487
   72    HA   HIS  11           HA       HIS  11  -1.064 -14.233  -0.901
   73   1HB   HIS  11          2HB       HIS  11  -1.826 -15.687   1.639
   74   2HB   HIS  11          1HB       HIS  11  -1.893 -13.949   1.360
   75    HD2  HIS  11           2HD      HIS  11  -4.093 -13.030  -0.024
   76    HE1  HIS  11           1HE      HIS  11  -5.979 -16.809  -0.308
   77    HE2  HIS  11           2HE      HIS  11  -6.200 -14.330  -0.799
   78    H    ILE  12           H        ILE  12   0.579 -13.052   0.004
   79    HA   ILE  12           HA       ILE  12   2.989 -14.494   0.646
   80    HB   ILE  12           HB       ILE  12   3.184 -12.512  -0.718
   81   1HG1  ILE  12          2HG1      ILE  12   4.349 -11.384   1.750
   82   2HG1  ILE  12          1HG1      ILE  12   4.778 -13.063   1.425
   83   1HG2  ILE  12          1HG2      ILE  12   2.693 -10.421   1.145
   84   2HG2  ILE  12          2HG2      ILE  12   1.269 -11.459   1.075
   85   3HG2  ILE  12          3HG2      ILE  12   1.904 -10.733  -0.400
   86   1HD1  ILE  12          1HD1      ILE  12   5.030 -11.516  -0.968
   87   2HD1  ILE  12          2HD1      ILE  12   6.256 -12.436  -0.095
   88   3HD1  ILE  12          3HD1      ILE  12   5.929 -10.760   0.345
   89    H    SER  13           H        SER  13   4.248 -14.162   2.574
   90    HA   SER  13           HA       SER  13   2.926 -14.582   4.949
   91   1HB   SER  13          2HB       SER  13   5.681 -13.637   4.270
   92   2HB   SER  13          1HB       SER  13   5.160 -13.582   5.954
   93    HG   SER  13           HG       SER  13   4.482 -15.887   5.459
   94    H    LYS  14           H        LYS  14   4.332 -11.490   3.831
   95    HA   LYS  14           HA       LYS  14   2.180 -10.032   5.062
   96   1HB   LYS  14          2HB       LYS  14   4.202  -8.632   6.238
   97   2HB   LYS  14          1HB       LYS  14   3.184  -9.808   7.057
   98   1HG   LYS  14          2HG       LYS  14   4.924 -11.109   7.467
   99   2HG   LYS  14          1HG       LYS  14   5.362 -11.143   5.758
  100   1HD   LYS  14          2HD       LYS  14   7.179  -9.974   6.303
  101   2HD   LYS  14          1HD       LYS  14   6.109  -8.607   6.620
  102   1HE   LYS  14          2HE       LYS  14   7.042 -10.675   8.607
  103   2HE   LYS  14          1HE       LYS  14   7.541  -8.986   8.531
  104   1HZ   LYS  14          1HZ       LYS  14   5.732  -9.680  10.202
  105   2HZ   LYS  14          2HZ       LYS  14   4.696  -9.679   8.866
  106   3HZ   LYS  14          3HZ       LYS  14   5.507  -8.261   9.307
  107    H    TYR  15           H        TYR  15   1.968  -7.962   4.319
  108    HA   TYR  15           HA       TYR  15   3.719  -7.208   2.083
  109   1HB   TYR  15          2HB       TYR  15   0.833  -7.006   2.607
  110   2HB   TYR  15          1HB       TYR  15   1.539  -5.530   1.963
  111    HD1  TYR  15           1HD      TYR  15   3.346  -6.189  -0.043
  112    HD2  TYR  15           2HD      TYR  15  -0.187  -8.306   1.021
  113    HE1  TYR  15           1HE      TYR  15   3.226  -7.120  -2.315
  114    HE2  TYR  15           2HE      TYR  15  -0.314  -9.246  -1.246
  115    HH   TYR  15           HH       TYR  15   0.475  -8.723  -3.506
  116    H    ILE  16           H        ILE  16   4.781  -5.259   2.097
  117    HA   ILE  16           HA       ILE  16   4.445  -3.597   4.491
  118    HB   ILE  16           HB       ILE  16   6.777  -4.779   3.347
  119   1HG1  ILE  16          2HG1      ILE  16   5.999  -4.433   5.770
  120   2HG1  ILE  16          1HG1      ILE  16   7.713  -4.278   5.422
  121   1HG2  ILE  16          1HG2      ILE  16   7.037  -2.801   1.988
  122   2HG2  ILE  16          2HG2      ILE  16   8.266  -2.835   3.251
  123   3HG2  ILE  16          3HG2      ILE  16   6.871  -1.767   3.409
  124   1HD1  ILE  16          1HD1      ILE  16   6.098  -2.461   6.763
  125   2HD1  ILE  16          2HD1      ILE  16   6.377  -1.733   5.182
  126   3HD1  ILE  16          3HD1      ILE  16   7.745  -2.196   6.193
  127    H    LEU  17           H        LEU  17   4.295  -1.393   4.277
  128    HA   LEU  17           HA       LEU  17   4.241  -0.317   1.542
  129   1HB   LEU  17          2HB       LEU  17   1.982  -0.779   2.990
  130   2HB   LEU  17          1HB       LEU  17   2.343   0.877   3.446
  131    HG   LEU  17           HG       LEU  17   2.458   0.330   0.552
  132   1HD1  LEU  17          1HD1      LEU  17   0.166   0.107   0.175
  133   2HD1  LEU  17          2HD1      LEU  17  -0.246   0.542   1.834
  134   3HD1  LEU  17          3HD1      LEU  17   0.490  -1.024   1.489
  135   1HD2  LEU  17          1HD2      LEU  17   2.726   2.562   1.144
  136   2HD2  LEU  17          2HD2      LEU  17   1.468   2.487   2.378
  137   3HD2  LEU  17          3HD2      LEU  17   1.030   2.470   0.669
  138    H    ARG  18           H        ARG  18   5.721   1.207   1.370
  139    HA   ARG  18           HA       ARG  18   6.225   2.951   3.685
  140   1HB   ARG  18          2HB       ARG  18   8.120   1.840   1.626
  141   2HB   ARG  18          1HB       ARG  18   8.533   3.237   2.613
  142   1HG   ARG  18          2HG       ARG  18   9.098   1.941   4.317
  143   2HG   ARG  18          1HG       ARG  18   7.540   1.112   4.266
  144   1HD   ARG  18          2HD       ARG  18   9.458  -0.415   3.965
  145   2HD   ARG  18          1HD       ARG  18   8.353  -0.417   2.590
  146    HE   ARG  18           HE       ARG  18  10.094   1.283   1.673
  147   1HH1  ARG  18          1HH1      ARG  18  10.754  -1.560   3.578
  148   2HH1  ARG  18          2HH1      ARG  18  12.326  -1.810   2.895
  149   1HH2  ARG  18          1HH2      ARG  18  12.162   0.964   0.769
  150   2HH2  ARG  18          2HH2      ARG  18  13.126  -0.375   1.298
  151    H    TRP  19           H        TRP  19   5.928   5.088   3.388
  152    HA   TRP  19           HA       TRP  19   6.158   6.240   0.736
  153   1HB   TRP  19          2HB       TRP  19   3.939   7.076   0.569
  154   2HB   TRP  19          1HB       TRP  19   3.802   5.360   0.933
  155    HD1  TRP  19           HD       TRP  19   2.770   8.736   2.183
  156    HE1  TRP  19           1HE      TRP  19   1.413   8.484   4.356
  157    HE3  TRP  19           3HE      TRP  19   3.699   3.803   3.158
  158    HZ2  TRP  19           2HZ      TRP  19   0.819   6.467   6.235
  159    HZ3  TRP  19           3HZ      TRP  19   2.697   2.789   5.165
  160    HH2  TRP  19           HH       TRP  19   1.287   4.096   6.670
  161    H    ARG  20           H        ARG  20   6.027   8.564   0.711
  162    HA   ARG  20           HA       ARG  20   5.996  10.035   3.180
  163   1HB   ARG  20          2HB       ARG  20   8.256  10.774   3.202
  164   2HB   ARG  20          1HB       ARG  20   8.317   9.024   3.056
  165   1HG   ARG  20          2HG       ARG  20   9.533   9.197   1.216
  166   2HG   ARG  20          1HG       ARG  20   8.269  10.157   0.442
  167   1HD   ARG  20          2HD       ARG  20   9.289  12.133   0.913
  168   2HD   ARG  20          1HD       ARG  20   9.980  11.539   2.422
  169    HE   ARG  20           HE       ARG  20  11.115  10.433  -0.005
  170   1HH1  ARG  20          1HH1      ARG  20  11.329  12.854   2.491
  171   2HH1  ARG  20          2HH1      ARG  20  13.015  13.159   2.232
  172   1HH2  ARG  20          1HH2      ARG  20  13.338  10.828  -0.355
  173   2HH2  ARG  20          2HH2      ARG  20  14.156  12.008   0.615
  174    HA   PRO  21           HA       PRO  21   4.671  13.315   0.538
  175   1HB   PRO  21          2HB       PRO  21   6.083  15.473   1.540
  176   2HB   PRO  21          1HB       PRO  21   4.578  14.848   2.219
  177   1HG   PRO  21          2HG       PRO  21   7.395  14.365   3.086
  178   2HG   PRO  21          1HG       PRO  21   5.939  14.603   4.071
  179   1HD   PRO  21          2HD       PRO  21   6.995  12.164   3.683
  180   2HD   PRO  21          1HD       PRO  21   5.238  12.412   3.790
  181    H    LYS  22           H        LYS  22   5.340  13.223  -1.510
  182    HA   LYS  22           HA       LYS  22   8.056  13.160  -2.312
  183   1HB   LYS  22          2HB       LYS  22   5.731  12.462  -3.493
  184   2HB   LYS  22          1HB       LYS  22   6.025  14.000  -4.292
  185   1HG   LYS  22          2HG       LYS  22   8.408  13.016  -4.685
  186   2HG   LYS  22          1HG       LYS  22   7.599  11.473  -4.405
  187   1HD   LYS  22          2HD       LYS  22   5.894  12.771  -6.136
  188   2HD   LYS  22          1HD       LYS  22   7.493  13.249  -6.712
  189   1HE   LYS  22          2HE       LYS  22   7.165  10.398  -6.043
  190   2HE   LYS  22          1HE       LYS  22   6.248  10.967  -7.437
  191   1HZ   LYS  22          1HZ       LYS  22   8.343  11.871  -8.335
  192   2HZ   LYS  22          2HZ       LYS  22   8.377  10.189  -8.160
  193   3HZ   LYS  22          3HZ       LYS  22   9.183  11.172  -7.044
  194    H    ASN  23           H        ASN  23   5.638  15.737  -2.190
  195    HA   ASN  23           HA       ASN  23   7.563  17.641  -3.284
  196   1HB   ASN  23          2HB       ASN  23   4.629  17.883  -2.614
  197   2HB   ASN  23          1HB       ASN  23   5.612  19.233  -3.171
  198   1HD2  ASN  23          1HD2      ASN  23   6.825  18.795  -5.238
  199   2HD2  ASN  23          2HD2      ASN  23   5.965  17.956  -6.480
  200    H    SER  24           H        SER  24   5.711  17.045  -0.329
  201    HA   SER  24           HA       SER  24   6.935  19.316   1.000
  202   1HB   SER  24          2HB       SER  24   4.738  17.414   1.609
  203   2HB   SER  24          1HB       SER  24   5.609  18.080   2.989
  204    HG   SER  24           HG       SER  24   3.801  19.364   2.331
  205    H    VAL  25           H        VAL  25   7.995  19.032   3.120
  206    HA   VAL  25           HA       VAL  25   9.919  16.849   2.971
  207    HB   VAL  25           HB       VAL  25  10.622  19.250   3.339
  208   1HG1  VAL  25          1HG1      VAL  25  10.498  20.114   5.636
  209   2HG1  VAL  25          2HG1      VAL  25   9.490  18.738   6.088
  210   3HG1  VAL  25          3HG1      VAL  25   8.902  19.916   4.913
  211   1HG2  VAL  25          1HG2      VAL  25  11.485  17.310   5.479
  212   2HG2  VAL  25          2HG2      VAL  25  12.408  18.672   4.843
  213   3HG2  VAL  25          3HG2      VAL  25  12.059  17.286   3.810
  214    H    GLY  26           H        GLY  26  10.338  15.414   4.690
  215   1HA   GLY  26          2HA       GLY  26   9.170  15.383   7.191
  216   2HA   GLY  26          1HA       GLY  26   8.021  14.590   6.123
  217    H    ARG  27           H        ARG  27   8.178  12.530   6.842
  218    HA   ARG  27           HA       ARG  27  10.721  11.173   6.327
  219   1HB   ARG  27          2HB       ARG  27   9.123  10.523   8.790
  220   2HB   ARG  27          1HB       ARG  27  10.780  10.072   8.409
  221   1HG   ARG  27          2HG       ARG  27  11.431  11.785   9.658
  222   2HG   ARG  27          1HG       ARG  27  10.796  12.851   8.400
  223   1HD   ARG  27          2HD       ARG  27   8.668  11.899  10.089
  224   2HD   ARG  27          1HD       ARG  27   9.938  12.642  11.061
  225    HE   ARG  27           HE       ARG  27   9.677  14.620   9.573
  226   1HH1  ARG  27          1HH1      ARG  27   7.068  12.338   9.937
  227   2HH1  ARG  27          2HH1      ARG  27   5.836  13.490   9.537
  228   1HH2  ARG  27          1HH2      ARG  27   8.062  16.138   9.044
  229   2HH2  ARG  27          2HH2      ARG  27   6.402  15.647   9.028
  230    H    TRP  28           H        TRP  28  10.434   8.751   6.344
  231    HA   TRP  28           HA       TRP  28   8.206   8.085   4.672
  232   1HB   TRP  28          2HB       TRP  28  10.426   6.397   5.841
  233   2HB   TRP  28          1HB       TRP  28   9.212   5.784   4.722
  234    HD1  TRP  28           HD       TRP  28  12.122   8.317   4.837
  235    HE1  TRP  28           1HE      TRP  28  13.005   8.631   2.441
  236    HE3  TRP  28           3HE      TRP  28   8.658   5.522   2.319
  237    HZ2  TRP  28           2HZ      TRP  28  12.327   7.804  -0.170
  238    HZ3  TRP  28           3HZ      TRP  28   8.848   5.334  -0.128
  239    HH2  TRP  28           HH       TRP  28  10.645   6.454  -1.345
  240    H    LYS  29           H        LYS  29   7.098   5.867   5.154
  241    HA   LYS  29           HA       LYS  29   6.433   5.540   7.975
  242   1HB   LYS  29          2HB       LYS  29   4.393   6.180   5.832
  243   2HB   LYS  29          1HB       LYS  29   3.986   5.564   7.428
  244   1HG   LYS  29          2HG       LYS  29   5.648   7.800   7.826
  245   2HG   LYS  29          1HG       LYS  29   4.459   8.252   6.602
  246   1HD   LYS  29          2HD       LYS  29   2.648   7.612   8.058
  247   2HD   LYS  29          1HD       LYS  29   3.782   6.979   9.253
  248   1HE   LYS  29          2HE       LYS  29   4.657   9.199   9.650
  249   2HE   LYS  29          1HE       LYS  29   3.631   9.861   8.378
  250   1HZ   LYS  29          1HZ       LYS  29   1.805   9.789   9.684
  251   2HZ   LYS  29          2HZ       LYS  29   2.950   9.906  10.924
  252   3HZ   LYS  29          3HZ       LYS  29   2.295   8.400  10.517
  253    H    GLU  30           H        GLU  30   5.829   3.438   8.475
  254    HA   GLU  30           HA       GLU  30   5.780   1.573   6.194
  255   1HB   GLU  30          2HB       GLU  30   6.947   1.141   8.947
  256   2HB   GLU  30          1HB       GLU  30   6.817  -0.100   7.706
  257   1HG   GLU  30          2HG       GLU  30   8.914   0.515   7.228
  258   2HG   GLU  30          1HG       GLU  30   8.124   1.814   6.333
  259    H    ALA  31           H        ALA  31   4.210   0.121   6.063
  260    HA   ALA  31           HA       ALA  31   2.487  -0.413   8.367
  261   1HB   ALA  31          1HB       ALA  31   1.575   0.691   5.722
  262   2HB   ALA  31          2HB       ALA  31   1.220   1.283   7.345
  263   3HB   ALA  31          3HB       ALA  31   0.494  -0.219   6.776
  264    H    THR  32           H        THR  32   2.080  -2.549   8.537
  265    HA   THR  32           HA       THR  32   2.685  -4.209   6.185
  266    HB   THR  32           HB       THR  32   2.761  -5.113   9.061
  267    HG1  THR  32           1HG      THR  32   5.190  -5.008   8.058
  268   1HG2  THR  32          1HG2      THR  32   4.006  -7.007   8.174
  269   2HG2  THR  32          2HG2      THR  32   3.913  -6.334   6.546
  270   3HG2  THR  32          3HG2      THR  32   2.446  -6.882   7.361
  271    H    ILE  33           H        ILE  33   1.299  -5.639   5.427
  272    HA   ILE  33           HA       ILE  33  -1.108  -6.326   6.945
  273    HB   ILE  33           HB       ILE  33  -1.482  -5.936   4.029
  274   1HG1  ILE  33          2HG1      ILE  33  -2.122  -3.457   5.331
  275   2HG1  ILE  33          1HG1      ILE  33  -0.417  -3.819   5.584
  276   1HG2  ILE  33          1HG2      ILE  33  -3.587  -6.221   4.651
  277   2HG2  ILE  33          2HG2      ILE  33  -3.505  -4.774   5.655
  278   3HG2  ILE  33          3HG2      ILE  33  -3.070  -6.343   6.332
  279   1HD1  ILE  33          1HD1      ILE  33  -1.756  -3.812   2.893
  280   2HD1  ILE  33          2HD1      ILE  33  -0.029  -3.945   3.232
  281   3HD1  ILE  33          3HD1      ILE  33  -0.885  -2.442   3.579
  282    HA   PRO  34           HA       PRO  34   0.788 -10.212   5.581
  283   1HB   PRO  34          2HB       PRO  34  -1.545 -11.305   7.044
  284   2HB   PRO  34          1HB       PRO  34   0.169 -11.689   7.212
  285   1HG   PRO  34          2HG       PRO  34  -1.091 -10.228   9.054
  286   2HG   PRO  34          1HG       PRO  34   0.580  -9.864   8.580
  287   1HD   PRO  34          2HD       PRO  34  -1.959  -8.487   7.793
  288   2HD   PRO  34          1HD       PRO  34  -0.373  -7.791   8.182
  289    H    GLY  35           H        GLY  35   0.452 -10.583   3.474
  290   1HA   GLY  35          2HA       GLY  35  -0.583 -11.215   1.528
  291   2HA   GLY  35          1HA       GLY  35  -1.705 -12.098   2.552
  292    H    HIS  36           H        HIS  36  -3.755 -11.397   2.720
  293    HA   HIS  36           HA       HIS  36  -4.495  -8.665   2.288
  294   1HB   HIS  36          2HB       HIS  36  -4.275 -10.241  -0.011
  295   2HB   HIS  36          1HB       HIS  36  -6.000 -10.202   0.341
  296    HD2  HIS  36           2HD      HIS  36  -7.237  -7.734   0.060
  297    HE1  HIS  36           1HE      HIS  36  -3.836  -5.816  -1.574
  298    HE2  HIS  36           2HE      HIS  36  -6.354  -5.706  -1.296
  299    H    LEU  37           H        LEU  37  -5.544  -8.822   4.249
  300    HA   LEU  37           HA       LEU  37  -7.494 -10.904   4.700
  301   1HB   LEU  37          2HB       LEU  37  -7.960  -9.304   6.770
  302   2HB   LEU  37          1HB       LEU  37  -6.639 -10.449   6.741
  303    HG   LEU  37           HG       LEU  37  -6.119  -8.151   7.644
  304   1HD1  LEU  37          1HD1      LEU  37  -4.487  -9.178   5.334
  305   2HD1  LEU  37          2HD1      LEU  37  -4.358  -9.671   7.022
  306   3HD1  LEU  37          3HD1      LEU  37  -3.926  -8.028   6.548
  307   1HD2  LEU  37          1HD2      LEU  37  -5.620  -7.034   5.006
  308   2HD2  LEU  37          2HD2      LEU  37  -6.338  -6.295   6.437
  309   3HD2  LEU  37          3HD2      LEU  37  -7.336  -7.257   5.348
  310    H    ASN  38           H        ASN  38  -7.452  -7.652   3.549
  311    HA   ASN  38           HA       ASN  38 -10.017  -7.726   2.477
  312   1HB   ASN  38          2HB       ASN  38 -11.136  -6.030   3.986
  313   2HB   ASN  38          1HB       ASN  38 -10.964  -7.643   4.668
  314   1HD2  ASN  38          1HD2      ASN  38  -9.542  -4.421   4.621
  315   2HD2  ASN  38          2HD2      ASN  38  -8.861  -4.503   6.206
  316    H    SER  39           H        SER  39 -10.791  -5.099   2.480
  317    HA   SER  39           HA       SER  39  -8.765  -3.918   0.827
  318   1HB   SER  39          2HB       SER  39 -10.520  -1.950   0.932
  319   2HB   SER  39          1HB       SER  39 -10.874  -3.414   0.014
  320    HG   SER  39           HG       SER  39 -12.559  -2.652   1.500
  321    H    TYR  40           H        TYR  40  -7.019  -3.110   1.802
  322    HA   TYR  40           HA       TYR  40  -7.384  -1.451   4.204
  323   1HB   TYR  40          2HB       TYR  40  -5.807  -3.560   4.095
  324   2HB   TYR  40          1HB       TYR  40  -4.700  -2.434   3.316
  325    HD1  TYR  40           1HD      TYR  40  -5.739  -3.761   6.396
  326    HD2  TYR  40           2HD      TYR  40  -4.370  -0.149   4.611
  327    HE1  TYR  40           1HE      TYR  40  -5.033  -2.943   8.606
  328    HE2  TYR  40           2HE      TYR  40  -3.659   0.678   6.814
  329    HH   TYR  40           HH       TYR  40  -4.681  -0.414   9.607
  330    H    THR  41           H        THR  41  -7.439   0.648   3.766
  331    HA   THR  41           HA       THR  41  -5.628   1.693   1.689
  332    HB   THR  41           HB       THR  41  -7.803   1.985   0.810
  333    HG1  THR  41           1HG      THR  41  -7.388   4.479   2.086
  334   1HG2  THR  41          1HG2      THR  41  -9.208   1.546   2.668
  335   2HG2  THR  41          2HG2      THR  41  -9.578   3.194   2.159
  336   3HG2  THR  41          3HG2      THR  41  -8.561   2.914   3.573
  337    H    ILE  42           H        ILE  42  -4.284   3.289   2.255
  338    HA   ILE  42           HA       ILE  42  -4.302   4.184   5.026
  339    HB   ILE  42           HB       ILE  42  -2.288   4.363   2.801
  340   1HG1  ILE  42          2HG1      ILE  42  -1.681   3.467   5.576
  341   2HG1  ILE  42          1HG1      ILE  42  -2.675   2.410   4.576
  342   1HG2  ILE  42          1HG2      ILE  42  -0.851   5.521   4.621
  343   2HG2  ILE  42          2HG2      ILE  42  -2.406   5.986   5.310
  344   3HG2  ILE  42          3HG2      ILE  42  -1.983   6.487   3.673
  345   1HD1  ILE  42          1HD1      ILE  42  -0.046   2.218   4.642
  346   2HD1  ILE  42          2HD1      ILE  42  -0.171   3.465   3.400
  347   3HD1  ILE  42          3HD1      ILE  42  -0.967   1.908   3.170
  348    H    LYS  43           H        LYS  43  -5.046   6.098   5.658
  349    HA   LYS  43           HA       LYS  43  -5.329   8.228   3.645
  350   1HB   LYS  43          2HB       LYS  43  -7.460   6.975   4.691
  351   2HB   LYS  43          1HB       LYS  43  -7.214   8.191   5.939
  352   1HG   LYS  43          2HG       LYS  43  -7.120   9.842   3.929
  353   2HG   LYS  43          1HG       LYS  43  -7.952   8.543   3.071
  354   1HD   LYS  43          2HD       LYS  43  -9.060   9.159   5.717
  355   2HD   LYS  43          1HD       LYS  43  -9.184  10.475   4.547
  356   1HE   LYS  43          2HE       LYS  43  -9.954   7.716   3.719
  357   2HE   LYS  43          1HE       LYS  43 -11.060   8.647   4.728
  358   1HZ   LYS  43          1HZ       LYS  43 -10.756   8.806   1.985
  359   2HZ   LYS  43          2HZ       LYS  43 -10.102  10.241   2.597
  360   3HZ   LYS  43          3HZ       LYS  43 -11.694   9.813   2.972
  361    H    GLY  44           H        GLY  44  -5.509  10.429   4.661
  362   1HA   GLY  44          2HA       GLY  44  -5.058  11.542   6.919
  363   2HA   GLY  44          1HA       GLY  44  -3.582  10.587   6.887
  364    H    LEU  45           H        LEU  45  -3.698  11.087   3.825
  365    HA   LEU  45           HA       LEU  45  -1.854  13.249   3.838
  366   1HB   LEU  45          2HB       LEU  45  -3.160  12.459   1.284
  367   2HB   LEU  45          1HB       LEU  45  -1.473  12.779   1.628
  368    HG   LEU  45           HG       LEU  45  -3.003  10.240   2.189
  369   1HD1  LEU  45          1HD1      LEU  45  -0.837  11.051   0.295
  370   2HD1  LEU  45          2HD1      LEU  45  -2.345  10.195  -0.030
  371   3HD1  LEU  45          3HD1      LEU  45  -1.021   9.369   0.792
  372   1HD2  LEU  45          1HD2      LEU  45  -1.527  10.707   4.080
  373   2HD2  LEU  45          2HD2      LEU  45  -0.171  10.926   2.972
  374   3HD2  LEU  45          3HD2      LEU  45  -0.936   9.344   3.128
  375    H    LYS  46           H        LYS  46  -2.099  15.242   2.559
  376    HA   LYS  46           HA       LYS  46  -4.792  16.327   2.880
  377   1HB   LYS  46          2HB       LYS  46  -2.946  17.424   4.133
  378   2HB   LYS  46          1HB       LYS  46  -2.189  17.825   2.598
  379   1HG   LYS  46          2HG       LYS  46  -4.841  18.751   2.453
  380   2HG   LYS  46          1HG       LYS  46  -4.216  19.233   4.028
  381   1HD   LYS  46          2HD       LYS  46  -2.738  19.701   1.453
  382   2HD   LYS  46          1HD       LYS  46  -3.845  20.874   2.166
  383   1HE   LYS  46          2HE       LYS  46  -2.246  20.242   4.286
  384   2HE   LYS  46          1HE       LYS  46  -1.115  20.149   2.938
  385   1HZ   LYS  46          1HZ       LYS  46  -2.004  22.427   4.226
  386   2HZ   LYS  46          2HZ       LYS  46  -2.734  22.457   2.700
  387   3HZ   LYS  46          3HZ       LYS  46  -1.051  22.347   2.830
  388    HA   PRO  47           HA       PRO  47  -5.448  16.379  -1.510
  389   1HB   PRO  47          2HB       PRO  47  -6.892  18.912  -0.887
  390   2HB   PRO  47          1HB       PRO  47  -7.437  17.503  -1.804
  391   1HG   PRO  47          2HG       PRO  47  -8.309  17.923   0.674
  392   2HG   PRO  47          1HG       PRO  47  -7.934  16.285   0.105
  393   1HD   PRO  47          2HD       PRO  47  -6.375  18.066   1.922
  394   2HD   PRO  47          1HD       PRO  47  -6.559  16.301   1.954
  395    H    GLY  48           H        GLY  48  -4.219  17.147  -3.118
  396   1HA   GLY  48          2HA       GLY  48  -3.283  18.932  -4.403
  397   2HA   GLY  48          1HA       GLY  48  -3.184  19.892  -2.935
  398    H    VAL  49           H        VAL  49  -2.107  17.415  -1.539
  399    HA   VAL  49           HA       VAL  49   0.683  17.877  -2.290
  400    HB   VAL  49           HB       VAL  49  -0.176  16.239   0.073
  401   1HG1  VAL  49          1HG1      VAL  49   1.943  16.559   0.851
  402   2HG1  VAL  49          2HG1      VAL  49   2.107  18.137   0.079
  403   3HG1  VAL  49          3HG1      VAL  49   2.259  16.665  -0.880
  404   1HG2  VAL  49          1HG2      VAL  49  -0.575  19.122  -0.333
  405   2HG2  VAL  49          2HG2      VAL  49   0.237  18.683   1.169
  406   3HG2  VAL  49          3HG2      VAL  49  -1.351  18.015   0.799
  407    H    VAL  50           H        VAL  50   1.704  16.465  -3.542
  408    HA   VAL  50           HA       VAL  50   0.545  13.857  -4.045
  409    HB   VAL  50           HB       VAL  50   3.110  14.945  -5.198
  410   1HG1  VAL  50          1HG1      VAL  50   1.871  12.458  -5.395
  411   2HG1  VAL  50          2HG1      VAL  50   3.166  13.084  -6.416
  412   3HG1  VAL  50          3HG1      VAL  50   1.483  13.282  -6.905
  413   1HG2  VAL  50          1HG2      VAL  50   0.934  15.156  -7.025
  414   2HG2  VAL  50          2HG2      VAL  50   1.975  16.432  -6.395
  415   3HG2  VAL  50          3HG2      VAL  50   0.501  15.991  -5.533
  416    H    TYR  51           H        TYR  51   1.418  11.902  -3.502
  417    HA   TYR  51           HA       TYR  51   3.812  11.957  -1.783
  418   1HB   TYR  51          2HB       TYR  51   1.169  10.613  -1.403
  419   2HB   TYR  51          1HB       TYR  51   2.614   9.817  -0.788
  420    HD1  TYR  51           1HD      TYR  51   3.305  10.301   1.364
  421    HD2  TYR  51           2HD      TYR  51   0.931  13.154  -0.716
  422    HE1  TYR  51           1HE      TYR  51   3.207  11.690   3.391
  423    HE2  TYR  51           2HE      TYR  51   0.829  14.552   1.304
  424    HH   TYR  51           HH       TYR  51   1.290  13.634   4.200
  425    H    GLU  52           H        GLU  52   4.974   9.893  -1.679
  426    HA   GLU  52           HA       GLU  52   4.650   8.257  -4.097
  427   1HB   GLU  52          2HB       GLU  52   7.014   8.229  -4.491
  428   2HB   GLU  52          1HB       GLU  52   6.518   9.909  -4.350
  429   1HG   GLU  52          2HG       GLU  52   7.830  10.265  -2.590
  430   2HG   GLU  52          1HG       GLU  52   7.353   8.755  -1.814
  431    H    GLY  53           H        GLY  53   4.709   6.103  -3.742
  432   1HA   GLY  53          2HA       GLY  53   5.926   5.129  -1.263
  433   2HA   GLY  53          1HA       GLY  53   4.220   4.813  -1.514
  434    H    GLN  54           H        GLN  54   6.270   2.908  -1.152
  435    HA   GLN  54           HA       GLN  54   5.997   1.412  -3.662
  436   1HB   GLN  54          2HB       GLN  54   8.412   0.718  -2.196
  437   2HB   GLN  54          1HB       GLN  54   8.211   1.093  -3.902
  438   1HG   GLN  54          2HG       GLN  54   8.465   3.413  -3.514
  439   2HG   GLN  54          1HG       GLN  54   8.335   3.202  -1.768
  440   1HE2  GLN  54          1HE2      GLN  54  10.305   2.157  -4.521
  441   2HE2  GLN  54          2HE2      GLN  54  11.813   2.190  -3.679
  442    H    LEU  55           H        LEU  55   5.227  -0.607  -3.365
  443    HA   LEU  55           HA       LEU  55   4.834  -1.466  -0.593
  444   1HB   LEU  55          2HB       LEU  55   2.860  -1.281  -2.052
  445   2HB   LEU  55          1HB       LEU  55   3.560  -2.463  -3.141
  446    HG   LEU  55           HG       LEU  55   3.584  -3.926  -0.907
  447   1HD1  LEU  55          1HD1      LEU  55   1.108  -3.295  -0.040
  448   2HD1  LEU  55          2HD1      LEU  55   1.748  -1.687  -0.381
  449   3HD1  LEU  55          3HD1      LEU  55   2.594  -2.754   0.741
  450   1HD2  LEU  55          1HD2      LEU  55   1.698  -3.545  -3.120
  451   2HD2  LEU  55          2HD2      LEU  55   1.032  -4.379  -1.715
  452   3HD2  LEU  55          3HD2      LEU  55   2.467  -5.015  -2.518
  453    H    ILE  56           H        ILE  56   6.472  -2.652   0.128
  454    HA   ILE  56           HA       ILE  56   7.828  -4.545  -1.633
  455    HB   ILE  56           HB       ILE  56   8.408  -3.660   1.198
  456   1HG1  ILE  56          2HG1      ILE  56  10.601  -2.965  -0.026
  457   2HG1  ILE  56          1HG1      ILE  56   9.637  -3.095  -1.493
  458   1HG2  ILE  56          1HG2      ILE  56   9.596  -5.857  -0.442
  459   2HG2  ILE  56          2HG2      ILE  56   9.155  -5.844   1.265
  460   3HG2  ILE  56          3HG2      ILE  56  10.595  -4.982   0.719
  461   1HD1  ILE  56          1HD1      ILE  56   9.600  -1.069   0.631
  462   2HD1  ILE  56          2HD1      ILE  56   8.020  -1.561   0.024
  463   3HD1  ILE  56          3HD1      ILE  56   9.233  -0.927  -1.088
  464    H    SER  57           H        SER  57   7.699  -6.737  -1.417
  465    HA   SER  57           HA       SER  57   5.721  -7.727   0.517
  466   1HB   SER  57          2HB       SER  57   6.551  -9.254  -1.927
  467   2HB   SER  57          1HB       SER  57   5.043  -9.350  -1.012
  468    HG   SER  57           HG       SER  57   4.999  -6.952  -1.809
  469    H    ILE  58           H        ILE  58   6.547  -8.703   2.148
  470    HA   ILE  58           HA       ILE  58   9.175  -9.968   1.986
  471    HB   ILE  58           HB       ILE  58   7.443  -9.345   4.380
  472   1HG1  ILE  58          2HG1      ILE  58  10.094  -8.111   4.136
  473   2HG1  ILE  58          1HG1      ILE  58   8.974  -7.635   2.864
  474   1HG2  ILE  58          1HG2      ILE  58   9.648 -11.156   4.096
  475   2HG2  ILE  58          2HG2      ILE  58   8.661 -10.809   5.516
  476   3HG2  ILE  58          3HG2      ILE  58  10.089  -9.831   5.174
  477   1HD1  ILE  58          1HD1      ILE  58   9.120  -6.272   5.073
  478   2HD1  ILE  58          2HD1      ILE  58   8.080  -7.550   5.703
  479   3HD1  ILE  58          3HD1      ILE  58   7.554  -6.582   4.325
  480    H    GLN  59           H        GLN  59   9.259 -12.039   1.491
  481    HA   GLN  59           HA       GLN  59   7.029 -13.809   2.153
  482   1HB   GLN  59          2HB       GLN  59   8.905 -13.617  -0.011
  483   2HB   GLN  59          1HB       GLN  59   9.060 -15.193   0.748
  484   1HG   GLN  59          2HG       GLN  59   6.581 -13.973  -0.431
  485   2HG   GLN  59          1HG       GLN  59   7.487 -15.358  -1.038
  486   1HE2  GLN  59          1HE2      GLN  59   7.680 -17.190   0.560
  487   2HE2  GLN  59          2HE2      GLN  59   6.258 -17.592   1.456
  488    H    GLN  60           H        GLN  60   8.083 -16.218   2.480
  489    HA   GLN  60           HA       GLN  60   9.110 -16.199   5.097
  490   1HB   GLN  60          2HB       GLN  60   9.541 -18.649   4.675
  491   2HB   GLN  60          1HB       GLN  60   7.890 -18.117   4.384
  492   1HG   GLN  60          2HG       GLN  60   8.151 -18.225   2.057
  493   2HG   GLN  60          1HG       GLN  60   9.908 -18.324   2.175
  494   1HE2  GLN  60          1HE2      GLN  60   8.597 -20.119   0.646
  495   2HE2  GLN  60          2HE2      GLN  60   8.619 -21.679   1.388
  496    H    TYR  61           H        TYR  61  10.638 -15.954   2.033
  497    HA   TYR  61           HA       TYR  61  13.278 -16.525   3.186
  498   1HB   TYR  61          2HB       TYR  61  12.311 -16.314   0.334
  499   2HB   TYR  61          1HB       TYR  61  14.020 -16.381   0.753
  500    HD1  TYR  61           1HD      TYR  61  11.697 -18.311  -0.639
  501    HD2  TYR  61           2HD      TYR  61  14.204 -18.399   2.798
  502    HE1  TYR  61           1HE      TYR  61  11.583 -20.766  -0.625
  503    HE2  TYR  61           2HE      TYR  61  14.096 -20.854   2.821
  504    HH   TYR  61           HH       TYR  61  11.930 -22.619   0.742
  505    H    GLY  62           H        GLY  62  11.405 -14.015   3.236
  506   1HA   GLY  62          2HA       GLY  62  12.215 -11.854   3.852
  507   2HA   GLY  62          1HA       GLY  62  13.611 -12.119   2.817
  508    H    HIS  63           H        HIS  63  12.451  -9.758   2.528
  509    HA   HIS  63           HA       HIS  63  10.262  -9.472   0.853
  510   1HB   HIS  63          2HB       HIS  63  11.219  -7.296   0.220
  511   2HB   HIS  63          1HB       HIS  63  11.329  -7.573   1.955
  512    HD2  HIS  63           2HD      HIS  63  14.045  -8.637   2.650
  513    HE1  HIS  63           1HE      HIS  63  15.728  -6.256  -0.418
  514    HE2  HIS  63           2HE      HIS  63  16.188  -7.482   1.754
  515    H    GLN  64           H        GLN  64  10.011  -9.272  -1.412
  516    HA   GLN  64           HA       GLN  64  12.208  -9.718  -3.191
  517   1HB   GLN  64          2HB       GLN  64  10.934 -11.888  -4.062
  518   2HB   GLN  64          1HB       GLN  64  12.201 -11.966  -2.845
  519   1HG   GLN  64          2HG       GLN  64  10.530 -12.019  -1.081
  520   2HG   GLN  64          1HG       GLN  64   9.240 -11.889  -2.277
  521   1HE2  GLN  64          1HE2      GLN  64  11.829 -13.932  -1.078
  522   2HE2  GLN  64          2HE2      GLN  64  11.186 -15.421  -1.674
  523    H    GLU  65           H        GLU  65   9.055  -8.738  -2.573
  524    HA   GLU  65           HA       GLU  65   8.609  -8.313  -5.456
  525   1HB   GLU  65          2HB       GLU  65   7.117  -9.996  -3.794
  526   2HB   GLU  65          1HB       GLU  65   6.139  -8.547  -3.957
  527   1HG   GLU  65          2HG       GLU  65   6.190  -8.743  -6.373
  528   2HG   GLU  65          1HG       GLU  65   7.258 -10.141  -6.258
  529    H    VAL  66           H        VAL  66   8.701  -6.158  -5.793
  530    HA   VAL  66           HA       VAL  66   7.120  -4.484  -3.998
  531    HB   VAL  66           HB       VAL  66   9.246  -4.120  -3.112
  532   1HG1  VAL  66          1HG1      VAL  66  10.409  -3.507  -5.801
  533   2HG1  VAL  66          2HG1      VAL  66  10.429  -5.128  -5.103
  534   3HG1  VAL  66          3HG1      VAL  66  11.242  -3.801  -4.272
  535   1HG2  VAL  66          1HG2      VAL  66   7.801  -2.083  -3.978
  536   2HG2  VAL  66          2HG2      VAL  66   9.234  -1.801  -4.969
  537   3HG2  VAL  66          3HG2      VAL  66   9.371  -1.843  -3.210
  538    H    THR  67           H        THR  67   6.087  -2.779  -4.888
  539    HA   THR  67           HA       THR  67   6.517  -2.241  -7.746
  540    HB   THR  67           HB       THR  67   3.797  -2.499  -6.448
  541    HG1  THR  67           1HG      THR  67   3.939  -4.294  -8.262
  542   1HG2  THR  67          1HG2      THR  67   4.385  -0.964  -8.565
  543   2HG2  THR  67          2HG2      THR  67   2.860  -1.835  -8.410
  544   3HG2  THR  67          3HG2      THR  67   4.164  -2.509  -9.387
  545    H    ARG  68           H        ARG  68   6.893  -0.143  -8.075
  546    HA   ARG  68           HA       ARG  68   6.381   1.773  -5.969
  547   1HB   ARG  68          2HB       ARG  68   7.459   2.489  -8.673
  548   2HB   ARG  68          1HB       ARG  68   7.817   3.210  -7.110
  549   1HG   ARG  68          2HG       ARG  68   9.646   1.971  -7.015
  550   2HG   ARG  68          1HG       ARG  68   8.626   0.537  -6.920
  551   1HD   ARG  68          2HD       ARG  68   9.770   1.821  -9.392
  552   2HD   ARG  68          1HD       ARG  68  10.154   0.234  -8.729
  553    HE   ARG  68           HE       ARG  68   7.399   0.384  -9.311
  554   1HH1  ARG  68          1HH1      ARG  68  10.497   0.176 -10.893
  555   2HH1  ARG  68          2HH1      ARG  68   9.872  -0.635 -12.290
  556   1HH2  ARG  68          1HH2      ARG  68   6.569  -0.685 -11.144
  557   2HH2  ARG  68          2HH2      ARG  68   7.640  -1.125 -12.433
  558    H    PHE  69           H        PHE  69   4.985   3.491  -6.023
  559    HA   PHE  69           HA       PHE  69   3.438   4.085  -8.387
  560   1HB   PHE  69          2HB       PHE  69   1.268   3.785  -6.979
  561   2HB   PHE  69          1HB       PHE  69   1.993   2.381  -7.755
  562    HD1  PHE  69           1HD      PHE  69   2.227   0.474  -6.504
  563    HD2  PHE  69           2HD      PHE  69   2.177   4.239  -4.520
  564    HE1  PHE  69           1HE      PHE  69   2.326  -0.674  -4.330
  565    HE2  PHE  69           2HE      PHE  69   2.277   3.097  -2.342
  566    HZ   PHE  69           HZ       PHE  69   2.354   0.639  -2.246
  567    H    ASP  70           H        ASP  70   2.057   5.948  -8.134
  568    HA   ASP  70           HA       ASP  70   2.887   7.693  -5.904
  569   1HB   ASP  70          2HB       ASP  70   1.811   8.988  -8.326
  570   2HB   ASP  70          1HB       ASP  70   3.198   9.429  -7.335
  571    H    PHE  71           H        PHE  71   1.291   8.462  -4.615
  572    HA   PHE  71           HA       PHE  71  -1.420   8.663  -5.636
  573   1HB   PHE  71          2HB       PHE  71  -2.417   7.077  -4.286
  574   2HB   PHE  71          1HB       PHE  71  -0.902   6.280  -4.702
  575    HD1  PHE  71           1HD      PHE  71  -3.036   7.264  -2.072
  576    HD2  PHE  71           2HD      PHE  71   1.061   6.624  -3.028
  577    HE1  PHE  71           1HE      PHE  71  -2.521   7.024   0.321
  578    HE2  PHE  71           2HE      PHE  71   1.583   6.378  -0.637
  579    HZ   PHE  71           HZ       PHE  71  -0.207   6.579   1.042
  580    H    THR  72           H        THR  72  -2.932   9.578  -4.057
  581    HA   THR  72           HA       THR  72  -1.726  11.077  -1.864
  582    HB   THR  72           HB       THR  72  -2.589  13.180  -2.512
  583    HG1  THR  72           1HG      THR  72  -3.947  11.844  -4.635
  584   1HG2  THR  72          1HG2      THR  72  -1.769  12.223  -5.219
  585   2HG2  THR  72          2HG2      THR  72  -0.608  12.157  -3.893
  586   3HG2  THR  72          3HG2      THR  72  -1.321  13.700  -4.365
  587    H    THR  73           H        THR  73  -3.500  12.126  -0.518
  588    HA   THR  73           HA       THR  73  -5.223  10.318   0.539
  589    HB   THR  73           HB       THR  73  -5.070  12.252   1.798
  590    HG1  THR  73           1HG      THR  73  -7.151  12.168   2.154
  591   1HG2  THR  73          1HG2      THR  73  -5.928  14.482   0.587
  592   2HG2  THR  73          2HG2      THR  73  -5.302  13.616  -0.817
  593   3HG2  THR  73          3HG2      THR  73  -4.244  13.959   0.552
  594    H    THR  74           H        THR  74  -6.273  12.830  -1.772
  595    HA   THR  74           HA       THR  74  -7.783  11.114  -3.391
  596    HB   THR  74           HB       THR  74  -9.380  10.762  -1.707
  597    HG1  THR  74           1HG      THR  74 -10.604  13.009  -2.863
  598   1HG2  THR  74          1HG2      THR  74 -10.058  13.516  -1.025
  599   2HG2  THR  74          2HG2      THR  74  -8.415  13.074  -0.565
  600   3HG2  THR  74          3HG2      THR  74  -9.780  12.127   0.025
  601    H    SER  75           H        SER  75  -6.664  12.441  -4.883
  602    HA   SER  75           HA       SER  75  -8.176  14.732  -5.721
  603   1HB   SER  75          2HB       SER  75  -6.791  15.852  -4.084
  604   2HB   SER  75          1HB       SER  75  -5.336  15.104  -4.742
  605    HG   SER  75           HG       SER  75  -6.976  17.095  -5.893
  606    H    THR  76           H        THR  76  -5.037  13.086  -6.091
  607    HA   THR  76           HA       THR  76  -5.501  13.081  -9.001
  608    HB   THR  76           HB       THR  76  -3.690  14.689  -8.225
  609    HG1  THR  76           1HG      THR  76  -2.360  12.907  -9.853
  610   1HG2  THR  76          1HG2      THR  76  -2.687  12.205  -7.077
  611   2HG2  THR  76          2HG2      THR  76  -2.232  13.875  -6.734
  612   3HG2  THR  76          3HG2      THR  76  -1.494  13.021  -8.089
  613    H    SER  77           H        SER  77  -3.325  11.558  -9.754
  614    HA   SER  77           HA       SER  77  -2.585   9.428  -9.998
  615   1HB   SER  77          2HB       SER  77  -1.654   9.061  -7.962
  616   2HB   SER  77          1HB       SER  77  -3.080   9.632  -7.095
  617    HG   SER  77           HG       SER  77  -2.338   7.162  -7.390
  618    H    THR  78           H        THR  78  -3.320   7.290 -10.433
  619    HA   THR  78           HA       THR  78  -5.974   6.449  -9.844
  620    HB   THR  78           HB       THR  78  -6.226   6.395 -12.602
  621    HG1  THR  78           1HG      THR  78  -4.473   8.097 -12.449
  622   1HG2  THR  78          1HG2      THR  78  -7.461   8.655 -11.113
  623   2HG2  THR  78          2HG2      THR  78  -7.808   7.014 -10.564
  624   3HG2  THR  78          3HG2      THR  78  -8.196   7.492 -12.217
  625    HA   PRO  79           HA       PRO  79  -3.928   2.657 -10.855
  626   1HB   PRO  79          2HB       PRO  79  -6.016   0.967 -10.814
  627   2HB   PRO  79          1HB       PRO  79  -5.407   1.736  -9.343
  628   1HG   PRO  79          2HG       PRO  79  -7.766   2.483 -11.031
  629   2HG   PRO  79          1HG       PRO  79  -7.638   2.398  -9.265
  630   1HD   PRO  79          2HD       PRO  79  -7.456   4.730 -10.671
  631   2HD   PRO  79          1HD       PRO  79  -6.652   4.464  -9.111
  632    H    GLY  80           H        GLY  80  -3.329   3.304 -13.019
  633   1HA   GLY  80          2HA       GLY  80  -5.179   2.500 -15.149
  634   2HA   GLY  80          1HA       GLY  80  -3.726   3.464 -15.358
  635    H    SER  81           H        SER  81  -2.305   2.413 -16.564
  636    HA   SER  81           HA       SER  81  -1.800  -0.424 -15.975
  637   1HB   SER  81          2HB       SER  81  -2.908  -0.683 -17.994
  638   2HB   SER  81          1HB       SER  81  -2.361   0.874 -18.614
  639    HG   SER  81           HG       SER  81  -0.658  -0.062 -19.415
  640    H    ARG  82           H        ARG  82   0.182  -0.550 -15.176
  641    HA   ARG  82           HA       ARG  82   2.225   1.347 -16.061
  642   1HB   ARG  82          2HB       ARG  82   1.612   0.637 -13.570
  643   2HB   ARG  82          1HB       ARG  82   2.756  -0.653 -13.917
  644   1HG   ARG  82          2HG       ARG  82   4.517   0.716 -13.787
  645   2HG   ARG  82          1HG       ARG  82   3.703   2.005 -14.676
  646   1HD   ARG  82          2HD       ARG  82   2.781   1.425 -11.914
  647   2HD   ARG  82          1HD       ARG  82   4.334   2.238 -12.108
  648    HE   ARG  82           HE       ARG  82   1.737   3.356 -12.546
  649   1HH1  ARG  82          1HH1      ARG  82   5.084   3.524 -13.497
  650   2HH1  ARG  82          2HH1      ARG  82   4.993   5.180 -13.996
  651   1HH2  ARG  82          1HH2      ARG  82   1.606   5.535 -13.208
  652   2HH2  ARG  82          2HH2      ARG  82   3.016   6.323 -13.831
  653    H    SER  83           H        SER  83   2.456  -2.054 -15.049
  654    HA   SER  83           HA       SER  83   4.080  -2.560 -17.454
  655   1HB   SER  83          2HB       SER  83   5.679  -3.468 -16.169
  656   2HB   SER  83          1HB       SER  83   4.804  -2.857 -14.765
  657    HG   SER  83           HG       SER  83   4.481  -5.397 -15.990
  658    H    HIS  84           H        HIS  84   1.191  -3.221 -15.950
  659    HA   HIS  84           HA       HIS  84  -0.507  -4.667 -16.362
  660   1HB   HIS  84          2HB       HIS  84   0.876  -4.436 -18.807
  661   2HB   HIS  84          1HB       HIS  84   0.528  -6.150 -18.601
  662    HD2  HIS  84           2HD      HIS  84  -2.358  -6.509 -17.867
  663    HE1  HIS  84           1HE      HIS  84  -3.356  -3.262 -20.391
  664    HE2  HIS  84           2HE      HIS  84  -4.271  -5.179 -19.006
  665    H    HIS  85           H        HIS  85  -1.145  -6.894 -16.180
  666    HA   HIS  85           HA       HIS  85   0.918  -8.873 -15.699
  667   1HB   HIS  85          2HB       HIS  85  -0.198  -9.389 -13.417
  668   2HB   HIS  85          1HB       HIS  85   0.957  -8.065 -13.512
  669    HD2  HIS  85           2HD      HIS  85  -0.421  -7.071 -11.212
  670    HE1  HIS  85           1HE      HIS  85  -3.726  -5.753 -13.503
  671    HE2  HIS  85           2HE      HIS  85  -2.485  -5.503 -11.307
  672    H    HIS  86           H        HIS  86   0.134 -10.345 -17.085
  673    HA   HIS  86           HA       HIS  86  -2.452 -11.538 -16.474
  674   1HB   HIS  86          2HB       HIS  86  -3.173 -11.505 -18.824
  675   2HB   HIS  86          1HB       HIS  86  -2.988  -9.874 -18.188
  676    HD2  HIS  86           2HD      HIS  86  -1.158  -8.293 -19.454
  677    HE1  HIS  86           1HE      HIS  86   0.149 -11.244 -22.193
  678    HE2  HIS  86           2HE      HIS  86   0.398  -8.829 -21.460
  679    H    HIS  87           H        HIS  87  -2.714 -13.666 -17.347
  680    HA   HIS  87           HA       HIS  87  -0.422 -14.889 -18.649
  681   1HB   HIS  87          2HB       HIS  87  -0.898 -15.121 -15.815
  682   2HB   HIS  87          1HB       HIS  87  -1.051 -16.697 -16.585
  683    HD2  HIS  87           2HD      HIS  87   1.648 -13.842 -16.307
  684    HE1  HIS  87           1HE      HIS  87   3.529 -17.558 -17.056
  685    HE2  HIS  87           2HE      HIS  87   3.894 -15.072 -16.720
  686    H    HIS  88           H        HIS  88  -0.871 -16.969 -19.540
  687    HA   HIS  88           HA       HIS  88  -3.734 -17.655 -19.628
  688   1HB   HIS  88          2HB       HIS  88  -2.705 -16.473 -21.710
  689   2HB   HIS  88          1HB       HIS  88  -1.950 -18.034 -22.015
  690    HD2  HIS  88           2HD      HIS  88  -4.672 -19.800 -21.135
  691    HE1  HIS  88           1HE      HIS  88  -6.308 -17.746 -24.453
  692    HE2  HIS  88           2HE      HIS  88  -6.484 -19.810 -22.992
  693    H    HIS  89           H        HIS  89  -3.907 -19.523 -18.573
  694    HA   HIS  89           HA       HIS  89  -2.370 -21.804 -19.505
  695   1HB   HIS  89          2HB       HIS  89  -1.343 -20.527 -17.363
  696   2HB   HIS  89          1HB       HIS  89  -2.480 -21.599 -16.549
  697    HD2  HIS  89           2HD      HIS  89   0.225 -22.207 -19.378
  698    HE1  HIS  89           1HE      HIS  89   0.398 -25.277 -16.470
  699    HE2  HIS  89           2HE      HIS  89   1.268 -24.488 -18.718
  Start of MODEL   27
    1   1H    MET   1          1HT       MET   1  13.881 -27.871  11.006
    2   2H    MET   1          2HT       MET   1  15.149 -28.276  12.049
    3   3H    MET   1          3HT       MET   1  13.553 -28.636  12.479
    4    HA   MET   1           HA       MET   1  14.752 -29.761  10.036
    5   1HB   MET   1          2HB       MET   1  15.021 -31.815  11.708
    6   2HB   MET   1          1HB       MET   1  16.302 -30.633  11.475
    7   1HG   MET   1          2HG       MET   1  14.489 -29.771  13.533
    8   2HG   MET   1          1HG       MET   1  15.102 -31.390  13.872
    9   1HE   MET   1          1HE       MET   1  15.910 -28.627  15.774
   10   2HE   MET   1          2HE       MET   1  15.436 -27.875  14.250
   11   3HE   MET   1          3HE       MET   1  17.055 -27.613  14.897
   12    H    ARG   2           H        ARG   2  12.352 -29.683  12.572
   13    HA   ARG   2           HA       ARG   2  10.664 -31.480  10.958
   14   1HB   ARG   2          2HB       ARG   2   9.588 -31.611  13.488
   15   2HB   ARG   2          1HB       ARG   2  10.636 -32.818  12.758
   16   1HG   ARG   2          2HG       ARG   2  12.266 -32.407  14.209
   17   2HG   ARG   2          1HG       ARG   2  12.157 -30.665  13.950
   18   1HD   ARG   2          2HD       ARG   2  11.657 -30.995  16.227
   19   2HD   ARG   2          1HD       ARG   2  10.106 -30.715  15.438
   20    HE   ARG   2           HE       ARG   2   9.808 -33.175  15.501
   21   1HH1  ARG   2          1HH1      ARG   2  12.033 -31.646  17.708
   22   2HH1  ARG   2          2HH1      ARG   2  11.922 -32.905  18.893
   23   1HH2  ARG   2          1HH2      ARG   2   9.661 -34.837  17.055
   24   2HH2  ARG   2          2HH2      ARG   2  10.576 -34.718  18.521
   25    H    GLY   3           H        GLY   3   8.481 -30.955  10.747
   26   1HA   GLY   3          2HA       GLY   3   6.698 -29.430  11.761
   27   2HA   GLY   3          1HA       GLY   3   7.860 -28.155  11.430
   28    H    SER   4           H        SER   4   5.076 -28.839  10.413
   29    HA   SER   4           HA       SER   4   5.710 -28.435   7.575
   30   1HB   SER   4          2HB       SER   4   3.328 -30.090   8.352
   31   2HB   SER   4          1HB       SER   4   4.192 -30.039   6.816
   32    HG   SER   4           HG       SER   4   5.541 -30.915   9.111
   33    H    ASN   5           H        ASN   5   4.917 -26.669   9.815
   34    HA   ASN   5           HA       ASN   5   2.193 -25.906   9.364
   35   1HB   ASN   5          2HB       ASN   5   4.461 -24.564  10.844
   36   2HB   ASN   5          1HB       ASN   5   2.825 -23.915  10.776
   37   1HD2  ASN   5          1HD2      ASN   5   1.400 -24.587  12.230
   38   2HD2  ASN   5          2HD2      ASN   5   1.620 -25.919  13.308
   39    H    ALA   6           H        ALA   6   2.191 -23.191   9.204
   40    HA   ALA   6           HA       ALA   6   3.811 -22.288   6.996
   41   1HB   ALA   6          1HB       ALA   6   1.313 -23.524   6.451
   42   2HB   ALA   6          2HB       ALA   6   2.430 -22.752   5.325
   43   3HB   ALA   6          3HB       ALA   6   1.163 -21.802   6.102
   44    HA   PRO   7           HA       PRO   7   2.729 -18.803   9.703
   45   1HB   PRO   7          2HB       PRO   7   4.863 -17.280   9.045
   46   2HB   PRO   7          1HB       PRO   7   4.975 -18.624  10.189
   47   1HG   PRO   7          2HG       PRO   7   5.703 -18.544   7.284
   48   2HG   PRO   7          1HG       PRO   7   6.599 -19.251   8.641
   49   1HD   PRO   7          2HD       PRO   7   5.085 -20.741   6.961
   50   2HD   PRO   7          1HD       PRO   7   5.301 -21.155   8.674
   51    H    GLN   8           H        GLN   8   2.502 -19.233   6.458
   52    HA   GLN   8           HA       GLN   8   1.936 -16.410   5.878
   53   1HB   GLN   8          2HB       GLN   8   1.847 -18.449   3.721
   54   2HB   GLN   8          1HB       GLN   8   2.442 -16.796   3.681
   55   1HG   GLN   8          2HG       GLN   8   4.516 -17.525   3.871
   56   2HG   GLN   8          1HG       GLN   8   4.122 -18.294   5.408
   57   1HE2  GLN   8          1HE2      GLN   8   3.967 -18.778   1.912
   58   2HE2  GLN   8          2HE2      GLN   8   4.177 -20.492   1.961
   59    HA   PRO   9           HA       PRO   9  -2.356 -17.736   6.181
   60   1HB   PRO   9          2HB       PRO   9  -3.112 -14.965   6.137
   61   2HB   PRO   9          1HB       PRO   9  -3.099 -16.070   7.512
   62   1HG   PRO   9          2HG       PRO   9  -1.417 -13.907   7.235
   63   2HG   PRO   9          1HG       PRO   9  -1.075 -15.322   8.244
   64   1HD   PRO   9          2HD       PRO   9  -0.072 -14.654   5.506
   65   2HD   PRO   9          1HD       PRO   9   0.781 -15.411   6.869
   66    H    SER  10           H        SER  10  -0.944 -15.522   3.874
   67    HA   SER  10           HA       SER  10  -2.805 -16.457   1.843
   68   1HB   SER  10          2HB       SER  10  -2.364 -13.503   1.923
   69   2HB   SER  10          1HB       SER  10  -3.721 -14.418   1.266
   70    HG   SER  10           HG       SER  10  -3.902 -13.180   3.399
   71    H    HIS  11           H        HIS  11  -1.009 -17.493   0.941
   72    HA   HIS  11           HA       HIS  11   0.776 -17.737  -0.438
   73   1HB   HIS  11          2HB       HIS  11  -0.371 -15.119  -1.221
   74   2HB   HIS  11          1HB       HIS  11   1.266 -15.454  -1.781
   75    HD2  HIS  11           2HD      HIS  11   1.480 -17.808  -3.410
   76    HE1  HIS  11           1HE      HIS  11  -2.637 -17.732  -4.383
   77    HE2  HIS  11           2HE      HIS  11  -0.407 -18.841  -4.858
   78    H    ILE  12           H        ILE  12   1.431 -14.301   0.008
   79    HA   ILE  12           HA       ILE  12   4.095 -14.881   0.910
   80    HB   ILE  12           HB       ILE  12   3.684 -12.960  -0.543
   81   1HG1  ILE  12          2HG1      ILE  12   4.467 -11.497   1.878
   82   2HG1  ILE  12          1HG1      ILE  12   5.330 -13.016   1.655
   83   1HG2  ILE  12          1HG2      ILE  12   1.664 -12.012  -0.132
   84   2HG2  ILE  12          2HG2      ILE  12   2.665 -10.917   0.824
   85   3HG2  ILE  12          3HG2      ILE  12   1.792 -12.232   1.614
   86   1HD1  ILE  12          1HD1      ILE  12   5.404 -11.863  -0.840
   87   2HD1  ILE  12          2HD1      ILE  12   6.703 -11.862   0.354
   88   3HD1  ILE  12          3HD1      ILE  12   5.591 -10.496   0.257
   89    H    SER  13           H        SER  13   5.017 -14.292   2.908
   90    HA   SER  13           HA       SER  13   3.531 -14.911   5.178
   91   1HB   SER  13          2HB       SER  13   6.179 -14.589   4.673
   92   2HB   SER  13          1HB       SER  13   5.850 -13.125   5.601
   93    HG   SER  13           HG       SER  13   6.289 -14.614   7.120
   94    H    LYS  14           H        LYS  14   4.555 -11.724   3.962
   95    HA   LYS  14           HA       LYS  14   2.173 -10.478   4.905
   96   1HB   LYS  14          2HB       LYS  14   3.527  -8.840   6.403
   97   2HB   LYS  14          1HB       LYS  14   3.024 -10.391   7.058
   98   1HG   LYS  14          2HG       LYS  14   5.138 -10.677   7.663
   99   2HG   LYS  14          1HG       LYS  14   5.493 -10.930   5.953
  100   1HD   LYS  14          2HD       LYS  14   6.413  -8.865   5.696
  101   2HD   LYS  14          1HD       LYS  14   5.352  -8.126   6.896
  102   1HE   LYS  14          2HE       LYS  14   7.617  -8.132   7.723
  103   2HE   LYS  14          1HE       LYS  14   6.640  -9.244   8.679
  104   1HZ   LYS  14          1HZ       LYS  14   7.711 -10.709   6.579
  105   2HZ   LYS  14          2HZ       LYS  14   8.111 -10.813   8.220
  106   3HZ   LYS  14          3HZ       LYS  14   8.980  -9.778   7.202
  107    H    TYR  15           H        TYR  15   1.881  -8.423   4.069
  108    HA   TYR  15           HA       TYR  15   3.845  -7.629   2.039
  109   1HB   TYR  15          2HB       TYR  15   0.956  -7.710   2.137
  110   2HB   TYR  15          1HB       TYR  15   1.512  -6.087   1.742
  111    HD1  TYR  15           1HD      TYR  15   0.810  -9.326   0.467
  112    HD2  TYR  15           2HD      TYR  15   3.237  -5.892  -0.177
  113    HE1  TYR  15           1HE      TYR  15   1.156 -10.015  -1.868
  114    HE2  TYR  15           2HE      TYR  15   3.589  -6.572  -2.513
  115    HH   TYR  15           HH       TYR  15   2.306  -9.629  -3.752
  116    H    ILE  16           H        ILE  16   4.705  -5.576   1.982
  117    HA   ILE  16           HA       ILE  16   4.164  -3.897   4.331
  118    HB   ILE  16           HB       ILE  16   6.631  -4.888   3.196
  119   1HG1  ILE  16          2HG1      ILE  16   5.765  -4.885   5.600
  120   2HG1  ILE  16          1HG1      ILE  16   7.459  -4.481   5.358
  121   1HG2  ILE  16          1HG2      ILE  16   7.964  -2.870   3.301
  122   2HG2  ILE  16          2HG2      ILE  16   6.518  -1.908   3.610
  123   3HG2  ILE  16          3HG2      ILE  16   6.717  -2.733   2.062
  124   1HD1  ILE  16          1HD1      ILE  16   6.350  -2.017   5.298
  125   2HD1  ILE  16          2HD1      ILE  16   6.980  -2.789   6.752
  126   3HD1  ILE  16          3HD1      ILE  16   5.254  -2.850   6.399
  127    H    LEU  17           H        LEU  17   3.872  -1.724   4.079
  128    HA   LEU  17           HA       LEU  17   3.841  -0.683   1.326
  129   1HB   LEU  17          2HB       LEU  17   1.579  -1.196   2.675
  130   2HB   LEU  17          1HB       LEU  17   1.907   0.412   3.291
  131    HG   LEU  17           HG       LEU  17   2.115   0.214   0.374
  132   1HD1  LEU  17          1HD1      LEU  17  -0.678   0.178   1.379
  133   2HD1  LEU  17          2HD1      LEU  17   0.168  -1.361   1.234
  134   3HD1  LEU  17          3HD1      LEU  17  -0.028  -0.327  -0.181
  135   1HD2  LEU  17          1HD2      LEU  17   0.439   2.009   2.122
  136   2HD2  LEU  17          2HD2      LEU  17   0.953   2.295   0.459
  137   3HD2  LEU  17          3HD2      LEU  17   2.141   2.300   1.763
  138    H    ARG  18           H        ARG  18   5.310   0.868   1.149
  139    HA   ARG  18           HA       ARG  18   5.741   2.643   3.457
  140   1HB   ARG  18          2HB       ARG  18   7.999   2.646   1.682
  141   2HB   ARG  18          1HB       ARG  18   7.935   2.239   3.391
  142   1HG   ARG  18          2HG       ARG  18   6.864   0.017   2.138
  143   2HG   ARG  18          1HG       ARG  18   8.188   0.516   1.083
  144   1HD   ARG  18          2HD       ARG  18   8.642   0.399   4.026
  145   2HD   ARG  18          1HD       ARG  18   8.603  -1.106   3.105
  146    HE   ARG  18           HE       ARG  18  10.335   0.902   1.986
  147   1HH1  ARG  18          1HH1      ARG  18  10.075  -1.715   4.270
  148   2HH1  ARG  18          2HH1      ARG  18  11.775  -2.050   4.276
  149   1HH2  ARG  18          1HH2      ARG  18  12.576   0.468   1.986
  150   2HH2  ARG  18          2HH2      ARG  18  13.196  -0.811   2.977
  151    H    TRP  19           H        TRP  19   5.746   4.814   3.119
  152    HA   TRP  19           HA       TRP  19   5.950   5.899   0.456
  153   1HB   TRP  19          2HB       TRP  19   3.770   6.869   0.305
  154   2HB   TRP  19          1HB       TRP  19   3.559   5.153   0.634
  155    HD1  TRP  19           HD       TRP  19   2.668   8.543   1.941
  156    HE1  TRP  19           1HE      TRP  19   1.297   8.314   4.107
  157    HE3  TRP  19           3HE      TRP  19   3.390   3.560   2.839
  158    HZ2  TRP  19           2HZ      TRP  19   0.614   6.294   5.951
  159    HZ3  TRP  19           3HZ      TRP  19   2.342   2.558   4.828
  160    HH2  TRP  19           HH       TRP  19   0.983   3.899   6.351
  161    H    ARG  20           H        ARG  20   5.919   8.247   0.419
  162    HA   ARG  20           HA       ARG  20   6.034   9.696   2.907
  163   1HB   ARG  20          2HB       ARG  20   8.326  10.334   2.837
  164   2HB   ARG  20          1HB       ARG  20   8.298   8.583   2.683
  165   1HG   ARG  20          2HG       ARG  20   9.097   8.616   0.567
  166   2HG   ARG  20          1HG       ARG  20   8.279  10.128   0.165
  167   1HD   ARG  20          2HD       ARG  20  10.276  10.562   2.190
  168   2HD   ARG  20          1HD       ARG  20  10.983   9.759   0.790
  169    HE   ARG  20           HE       ARG  20   9.479  12.291   0.623
  170   1HH1  ARG  20          1HH1      ARG  20  12.109  10.216  -0.345
  171   2HH1  ARG  20          2HH1      ARG  20  12.760  11.355  -1.476
  172   1HH2  ARG  20          1HH2      ARG  20  10.332  13.795  -0.865
  173   2HH2  ARG  20          2HH2      ARG  20  11.751  13.388  -1.769
  174    HA   PRO  21           HA       PRO  21   4.790  13.086   0.369
  175   1HB   PRO  21          2HB       PRO  21   6.817  14.800   1.681
  176   2HB   PRO  21          1HB       PRO  21   5.064  14.996   1.595
  177   1HG   PRO  21          2HG       PRO  21   6.275  14.240   3.856
  178   2HG   PRO  21          1HG       PRO  21   4.687  13.602   3.397
  179   1HD   PRO  21          2HD       PRO  21   7.373  12.305   3.239
  180   2HD   PRO  21          1HD       PRO  21   5.797  11.593   3.640
  181    H    LYS  22           H        LYS  22   5.404  12.900  -1.709
  182    HA   LYS  22           HA       LYS  22   8.102  12.782  -2.577
  183   1HB   LYS  22          2HB       LYS  22   5.818  12.029  -3.711
  184   2HB   LYS  22          1HB       LYS  22   5.938  13.620  -4.448
  185   1HG   LYS  22          2HG       LYS  22   8.306  11.823  -4.538
  186   2HG   LYS  22          1HG       LYS  22   6.946  11.503  -5.616
  187   1HD   LYS  22          2HD       LYS  22   7.917  14.298  -5.465
  188   2HD   LYS  22          1HD       LYS  22   8.965  13.128  -6.270
  189   1HE   LYS  22          2HE       LYS  22   7.693  13.195  -8.089
  190   2HE   LYS  22          1HE       LYS  22   6.278  12.731  -7.147
  191   1HZ   LYS  22          1HZ       LYS  22   6.740  15.398  -6.587
  192   2HZ   LYS  22          2HZ       LYS  22   5.484  14.750  -7.516
  193   3HZ   LYS  22          3HZ       LYS  22   6.918  15.248  -8.263
  194    H    ASN  23           H        ASN  23   5.842  15.371  -2.055
  195    HA   ASN  23           HA       ASN  23   7.636  17.291  -3.352
  196   1HB   ASN  23          2HB       ASN  23   4.810  17.599  -2.321
  197   2HB   ASN  23          1HB       ASN  23   5.751  18.894  -3.056
  198   1HD2  ASN  23          1HD2      ASN  23   3.697  18.754  -4.410
  199   2HD2  ASN  23          2HD2      ASN  23   3.782  17.756  -5.817
  200    H    SER  24           H        SER  24   6.227  16.480  -0.230
  201    HA   SER  24           HA       SER  24   7.752  18.656   1.018
  202   1HB   SER  24          2HB       SER  24   5.145  17.615   1.464
  203   2HB   SER  24          1HB       SER  24   6.108  17.298   2.907
  204    HG   SER  24           HG       SER  24   5.038  19.596   2.119
  205    H    VAL  25           H        VAL  25   7.986  17.727   3.576
  206    HA   VAL  25           HA       VAL  25   9.671  15.324   3.316
  207    HB   VAL  25           HB       VAL  25  11.049  17.383   3.473
  208   1HG1  VAL  25          1HG1      VAL  25  10.903  18.076   6.150
  209   2HG1  VAL  25          2HG1      VAL  25   9.218  17.939   5.647
  210   3HG1  VAL  25          3HG1      VAL  25  10.309  19.022   4.784
  211   1HG2  VAL  25          1HG2      VAL  25  11.470  15.991   6.066
  212   2HG2  VAL  25          2HG2      VAL  25  12.629  16.407   4.802
  213   3HG2  VAL  25          3HG2      VAL  25  11.541  15.036   4.585
  214    H    GLY  26           H        GLY  26   9.908  14.049   5.239
  215   1HA   GLY  26          2HA       GLY  26   8.933  14.378   7.733
  216   2HA   GLY  26          1HA       GLY  26   7.482  14.002   6.817
  217    H    ARG  27           H        ARG  27  10.497  12.623   5.833
  218    HA   ARG  27           HA       ARG  27  11.274  10.487   5.772
  219   1HB   ARG  27          2HB       ARG  27   9.835  10.406   8.423
  220   2HB   ARG  27          1HB       ARG  27  10.788   9.060   7.811
  221   1HG   ARG  27          2HG       ARG  27  12.734  10.654   7.663
  222   2HG   ARG  27          1HG       ARG  27  11.744  11.808   8.561
  223   1HD   ARG  27          2HD       ARG  27  12.153   9.028   9.593
  224   2HD   ARG  27          1HD       ARG  27  13.386  10.264   9.844
  225    HE   ARG  27           HE       ARG  27  10.882  11.271  10.633
  226   1HH1  ARG  27          1HH1      ARG  27  13.274   8.936  11.620
  227   2HH1  ARG  27          2HH1      ARG  27  12.883   9.058  13.303
  228   1HH2  ARG  27          1HH2      ARG  27  10.366  11.442  12.843
  229   2HH2  ARG  27          2HH2      ARG  27  11.230  10.482  13.999
  230    H    TRP  28           H        TRP  28  10.501   8.091   5.929
  231    HA   TRP  28           HA       TRP  28   8.121   7.928   4.287
  232   1HB   TRP  28          2HB       TRP  28  10.087   5.806   5.172
  233   2HB   TRP  28          1HB       TRP  28   8.756   5.534   4.054
  234    HD1  TRP  28           HD       TRP  28  12.033   7.572   4.284
  235    HE1  TRP  28           1HE      TRP  28  12.911   7.940   1.892
  236    HE3  TRP  28           3HE      TRP  28   8.154   5.510   1.671
  237    HZ2  TRP  28           2HZ      TRP  28  12.069   7.421  -0.754
  238    HZ3  TRP  28           3HZ      TRP  28   8.266   5.484  -0.787
  239    HH2  TRP  28           HH       TRP  28  10.184   6.420  -1.974
  240    H    LYS  29           H        LYS  29   7.031   5.552   4.806
  241    HA   LYS  29           HA       LYS  29   6.367   5.332   7.628
  242   1HB   LYS  29          2HB       LYS  29   4.523   6.377   5.538
  243   2HB   LYS  29          1HB       LYS  29   3.853   5.232   6.692
  244   1HG   LYS  29          2HG       LYS  29   4.066   6.668   8.455
  245   2HG   LYS  29          1HG       LYS  29   5.425   7.529   7.731
  246   1HD   LYS  29          2HD       LYS  29   4.086   8.938   6.566
  247   2HD   LYS  29          1HD       LYS  29   2.846   7.711   6.301
  248   1HE   LYS  29          2HE       LYS  29   2.602   8.014   8.950
  249   2HE   LYS  29          1HE       LYS  29   3.190   9.623   8.534
  250   1HZ   LYS  29          1HZ       LYS  29   1.362   9.984   7.122
  251   2HZ   LYS  29          2HZ       LYS  29   0.710   9.312   8.531
  252   3HZ   LYS  29          3HZ       LYS  29   0.899   8.357   7.149
  253    H    GLU  30           H        GLU  30   5.265   3.295   8.099
  254    HA   GLU  30           HA       GLU  30   5.359   1.391   5.857
  255   1HB   GLU  30          2HB       GLU  30   6.257   0.652   8.634
  256   2HB   GLU  30          1HB       GLU  30   6.478  -0.251   7.142
  257   1HG   GLU  30          2HG       GLU  30   7.918   1.682   6.357
  258   2HG   GLU  30          1HG       GLU  30   7.878   2.249   8.027
  259    H    ALA  31           H        ALA  31   3.801  -0.090   5.744
  260    HA   ALA  31           HA       ALA  31   1.969  -0.494   7.986
  261   1HB   ALA  31          1HB       ALA  31   0.660   1.085   6.936
  262   2HB   ALA  31          2HB       ALA  31   0.096  -0.390   6.151
  263   3HB   ALA  31          3HB       ALA  31   1.248   0.662   5.328
  264    H    THR  32           H        THR  32   2.095  -2.634   8.299
  265    HA   THR  32           HA       THR  32   2.550  -4.380   6.001
  266    HB   THR  32           HB       THR  32   2.717  -4.990   8.955
  267    HG1  THR  32           1HG      THR  32   5.009  -5.132   8.358
  268   1HG2  THR  32          1HG2      THR  32   3.610  -6.706   6.637
  269   2HG2  THR  32          2HG2      THR  32   2.085  -6.937   7.496
  270   3HG2  THR  32          3HG2      THR  32   3.618  -7.126   8.350
  271    H    ILE  33           H        ILE  33   1.131  -5.749   5.222
  272    HA   ILE  33           HA       ILE  33  -1.235  -6.486   6.788
  273    HB   ILE  33           HB       ILE  33  -1.465  -5.931   3.841
  274   1HG1  ILE  33          2HG1      ILE  33  -2.684  -3.833   5.345
  275   2HG1  ILE  33          1HG1      ILE  33  -0.999  -3.957   5.843
  276   1HG2  ILE  33          1HG2      ILE  33  -3.497  -5.981   6.066
  277   2HG2  ILE  33          2HG2      ILE  33  -3.189  -7.288   4.923
  278   3HG2  ILE  33          3HG2      ILE  33  -3.835  -5.750   4.351
  279   1HD1  ILE  33          1HD1      ILE  33  -1.094  -4.124   3.016
  280   2HD1  ILE  33          2HD1      ILE  33  -0.386  -2.865   4.027
  281   3HD1  ILE  33          3HD1      ILE  33  -2.073  -2.748   3.525
  282    HA   PRO  34           HA       PRO  34   0.730 -10.370   5.501
  283   1HB   PRO  34          2HB       PRO  34  -1.652 -11.416   6.937
  284   2HB   PRO  34          1HB       PRO  34   0.049 -11.853   7.114
  285   1HG   PRO  34          2HG       PRO  34  -1.158 -10.348   8.944
  286   2HG   PRO  34          1HG       PRO  34   0.515 -10.017   8.456
  287   1HD   PRO  34          2HD       PRO  34  -2.002  -8.594   7.692
  288   2HD   PRO  34          1HD       PRO  34  -0.391  -7.931   8.038
  289    H    GLY  35           H        GLY  35   0.335 -10.338   3.298
  290   1HA   GLY  35          2HA       GLY  35  -0.706 -10.842   1.316
  291   2HA   GLY  35          1HA       GLY  35  -1.439 -12.153   2.222
  292    H    HIS  36           H        HIS  36  -2.098  -8.897   3.192
  293    HA   HIS  36           HA       HIS  36  -4.015  -7.672   3.244
  294   1HB   HIS  36          2HB       HIS  36  -3.529  -8.338   0.544
  295   2HB   HIS  36          1HB       HIS  36  -5.259  -8.538   0.799
  296    HD2  HIS  36           2HD      HIS  36  -2.884  -5.669   2.126
  297    HE1  HIS  36           1HE      HIS  36  -6.156  -4.018   0.009
  298    HE2  HIS  36           2HE      HIS  36  -3.979  -3.505   1.206
  299    H    LEU  37           H        LEU  37  -5.195  -8.533   4.882
  300    HA   LEU  37           HA       LEU  37  -6.712 -10.963   4.507
  301   1HB   LEU  37          2HB       LEU  37  -7.622 -10.161   6.861
  302   2HB   LEU  37          1HB       LEU  37  -6.076 -10.957   6.683
  303    HG   LEU  37           HG       LEU  37  -6.146  -8.952   8.222
  304   1HD1  LEU  37          1HD1      LEU  37  -4.102  -8.084   6.415
  305   2HD1  LEU  37          2HD1      LEU  37  -4.168  -9.847   6.457
  306   3HD1  LEU  37          3HD1      LEU  37  -3.954  -8.937   7.953
  307   1HD2  LEU  37          1HD2      LEU  37  -7.398  -7.710   6.120
  308   2HD2  LEU  37          2HD2      LEU  37  -5.755  -7.073   6.032
  309   3HD2  LEU  37          3HD2      LEU  37  -6.686  -6.907   7.520
  310    H    ASN  38           H        ASN  38  -7.208  -7.626   4.058
  311    HA   ASN  38           HA       ASN  38  -9.816  -8.013   3.015
  312   1HB   ASN  38          2HB       ASN  38 -11.205  -7.081   4.611
  313   2HB   ASN  38          1HB       ASN  38 -10.058  -7.945   5.629
  314   1HD2  ASN  38          1HD2      ASN  38  -7.899  -6.132   5.367
  315   2HD2  ASN  38          2HD2      ASN  38  -8.318  -4.687   6.216
  316    H    SER  39           H        SER  39 -10.802  -5.392   3.276
  317    HA   SER  39           HA       SER  39  -9.113  -4.045   1.385
  318   1HB   SER  39          2HB       SER  39 -11.084  -2.240   2.198
  319   2HB   SER  39          1HB       SER  39 -11.149  -3.302   0.791
  320    HG   SER  39           HG       SER  39 -12.633  -3.379   3.013
  321    H    TYR  40           H        TYR  40  -7.285  -3.165   2.136
  322    HA   TYR  40           HA       TYR  40  -7.409  -1.575   4.612
  323   1HB   TYR  40          2HB       TYR  40  -5.772  -3.614   4.262
  324   2HB   TYR  40          1HB       TYR  40  -4.820  -2.430   3.374
  325    HD1  TYR  40           1HD      TYR  40  -4.729  -0.050   4.778
  326    HD2  TYR  40           2HD      TYR  40  -5.082  -3.959   6.421
  327    HE1  TYR  40           1HE      TYR  40  -3.768   0.758   6.891
  328    HE2  TYR  40           2HE      TYR  40  -4.123  -3.159   8.540
  329    HH   TYR  40           HH       TYR  40  -3.781  -1.144   9.764
  330    H    THR  41           H        THR  41  -7.773   0.494   4.094
  331    HA   THR  41           HA       THR  41  -6.199   1.668   1.894
  332    HB   THR  41           HB       THR  41  -8.676   3.019   2.860
  333    HG1  THR  41           1HG      THR  41  -9.164   0.724   2.467
  334   1HG2  THR  41          1HG2      THR  41  -8.564   3.000   0.089
  335   2HG2  THR  41          2HG2      THR  41  -6.876   3.117   0.585
  336   3HG2  THR  41          3HG2      THR  41  -8.046   4.310   1.148
  337    H    ILE  42           H        ILE  42  -5.175   3.618   2.224
  338    HA   ILE  42           HA       ILE  42  -4.903   4.419   5.035
  339    HB   ILE  42           HB       ILE  42  -3.095   5.002   2.686
  340   1HG1  ILE  42          2HG1      ILE  42  -1.846   3.489   4.756
  341   2HG1  ILE  42          1HG1      ILE  42  -3.366   2.699   4.347
  342   1HG2  ILE  42          1HG2      ILE  42  -2.628   5.536   5.616
  343   2HG2  ILE  42          2HG2      ILE  42  -3.093   6.758   4.433
  344   3HG2  ILE  42          3HG2      ILE  42  -1.546   5.927   4.280
  345   1HD1  ILE  42          1HD1      ILE  42  -2.706   2.561   2.030
  346   2HD1  ILE  42          2HD1      ILE  42  -1.466   1.842   3.057
  347   3HD1  ILE  42          3HD1      ILE  42  -1.222   3.449   2.375
  348    H    LYS  43           H        LYS  43  -5.602   6.339   5.727
  349    HA   LYS  43           HA       LYS  43  -6.254   8.406   3.733
  350   1HB   LYS  43          2HB       LYS  43  -7.996   7.076   5.632
  351   2HB   LYS  43          1HB       LYS  43  -7.977   8.815   5.896
  352   1HG   LYS  43          2HG       LYS  43  -9.632   8.746   4.365
  353   2HG   LYS  43          1HG       LYS  43  -8.271   8.798   3.243
  354   1HD   LYS  43          2HD       LYS  43  -9.516   7.034   2.413
  355   2HD   LYS  43          1HD       LYS  43  -8.347   6.207   3.445
  356   1HE   LYS  43          2HE       LYS  43 -10.578   6.933   5.044
  357   2HE   LYS  43          1HE       LYS  43 -11.186   6.161   3.581
  358   1HZ   LYS  43          1HZ       LYS  43  -9.136   4.556   4.284
  359   2HZ   LYS  43          2HZ       LYS  43 -10.759   4.274   4.668
  360   3HZ   LYS  43          3HZ       LYS  43  -9.742   5.019   5.795
  361    H    GLY  44           H        GLY  44  -5.774  10.510   4.271
  362   1HA   GLY  44          2HA       GLY  44  -5.394  12.098   6.168
  363   2HA   GLY  44          1HA       GLY  44  -4.325  10.867   6.821
  364    H    LEU  45           H        LEU  45  -4.755  12.426   3.639
  365    HA   LEU  45           HA       LEU  45  -1.947  13.265   3.746
  366   1HB   LEU  45          2HB       LEU  45  -3.093  12.147   1.210
  367   2HB   LEU  45          1HB       LEU  45  -1.413  12.407   1.634
  368    HG   LEU  45           HG       LEU  45  -3.025  10.399   3.157
  369   1HD1  LEU  45          1HD1      LEU  45  -1.793   8.840   1.347
  370   2HD1  LEU  45          2HD1      LEU  45  -2.192  10.230   0.337
  371   3HD1  LEU  45          3HD1      LEU  45  -3.468   9.374   1.202
  372   1HD2  LEU  45          1HD2      LEU  45  -0.320   9.696   2.494
  373   2HD2  LEU  45          2HD2      LEU  45  -1.061   9.928   4.077
  374   3HD2  LEU  45          3HD2      LEU  45  -0.377  11.305   3.215
  375    H    LYS  46           H        LYS  46  -2.992  15.298   4.240
  376    HA   LYS  46           HA       LYS  46  -4.830  16.764   2.997
  377   1HB   LYS  46          2HB       LYS  46  -3.719  17.883   4.692
  378   2HB   LYS  46          1HB       LYS  46  -2.131  17.512   4.038
  379   1HG   LYS  46          2HG       LYS  46  -2.389  19.159   2.319
  380   2HG   LYS  46          1HG       LYS  46  -4.063  19.453   2.790
  381   1HD   LYS  46          2HD       LYS  46  -3.342  21.037   4.176
  382   2HD   LYS  46          1HD       LYS  46  -2.525  19.789   5.116
  383   1HE   LYS  46          2HE       LYS  46  -0.524  20.506   4.459
  384   2HE   LYS  46          1HE       LYS  46  -1.002  20.459   2.763
  385   1HZ   LYS  46          1HZ       LYS  46  -1.782  22.645   2.855
  386   2HZ   LYS  46          2HZ       LYS  46  -0.325  22.692   3.713
  387   3HZ   LYS  46          3HZ       LYS  46  -1.796  22.680   4.547
  388    HA   PRO  47           HA       PRO  47  -3.966  16.822  -1.361
  389   1HB   PRO  47          2HB       PRO  47  -5.478  19.379  -1.265
  390   2HB   PRO  47          1HB       PRO  47  -5.748  17.947  -2.264
  391   1HG   PRO  47          2HG       PRO  47  -7.342  18.481  -0.201
  392   2HG   PRO  47          1HG       PRO  47  -6.864  16.815  -0.577
  393   1HD   PRO  47          2HD       PRO  47  -5.855  18.643   1.565
  394   2HD   PRO  47          1HD       PRO  47  -6.164  16.896   1.627
  395    H    GLY  48           H        GLY  48  -3.250  18.509  -3.031
  396   1HA   GLY  48          2HA       GLY  48  -1.967  20.394  -3.611
  397   2HA   GLY  48          1HA       GLY  48  -1.660  20.681  -1.905
  398    H    VAL  49           H        VAL  49  -0.810  18.001  -1.313
  399    HA   VAL  49           HA       VAL  49   1.788  17.997  -2.703
  400    HB   VAL  49           HB       VAL  49   2.148  18.592  -0.415
  401   1HG1  VAL  49          1HG1      VAL  49   0.079  16.563   0.086
  402   2HG1  VAL  49          2HG1      VAL  49   0.444  18.056   0.952
  403   3HG1  VAL  49          3HG1      VAL  49   1.399  16.604   1.255
  404   1HG2  VAL  49          1HG2      VAL  49   3.947  17.292  -0.402
  405   2HG2  VAL  49          2HG2      VAL  49   3.171  16.191  -1.540
  406   3HG2  VAL  49          3HG2      VAL  49   2.975  15.948   0.195
  407    H    VAL  50           H        VAL  50   2.306  16.229  -3.814
  408    HA   VAL  50           HA       VAL  50   0.515  13.957  -3.797
  409    HB   VAL  50           HB       VAL  50   3.048  14.333  -5.400
  410   1HG1  VAL  50          1HG1      VAL  50   2.371  12.547  -6.724
  411   2HG1  VAL  50          2HG1      VAL  50   0.702  12.633  -6.159
  412   3HG1  VAL  50          3HG1      VAL  50   1.963  12.011  -5.094
  413   1HG2  VAL  50          1HG2      VAL  50   1.906  15.477  -7.007
  414   2HG2  VAL  50          2HG2      VAL  50   1.013  16.024  -5.588
  415   3HG2  VAL  50          3HG2      VAL  50   0.361  14.733  -6.597
  416    H    TYR  51           H        TYR  51   0.996  11.888  -3.145
  417    HA   TYR  51           HA       TYR  51   3.433  11.613  -1.519
  418   1HB   TYR  51          2HB       TYR  51   0.649  10.632  -1.214
  419   2HB   TYR  51          1HB       TYR  51   1.930   9.543  -0.693
  420    HD1  TYR  51           1HD      TYR  51   0.103  12.591   0.035
  421    HD2  TYR  51           2HD      TYR  51   3.473  10.234   1.122
  422    HE1  TYR  51           1HE      TYR  51   0.258  13.808   2.165
  423    HE2  TYR  51           2HE      TYR  51   3.640  11.444   3.255
  424    HH   TYR  51           HH       TYR  51   1.755  12.811   4.747
  425    H    GLU  52           H        GLU  52   4.848   9.993  -1.895
  426    HA   GLU  52           HA       GLU  52   4.243   8.202  -4.151
  427   1HB   GLU  52          2HB       GLU  52   6.717   8.050  -4.443
  428   2HB   GLU  52          1HB       GLU  52   6.071   9.662  -4.713
  429   1HG   GLU  52          2HG       GLU  52   6.965  10.487  -2.730
  430   2HG   GLU  52          1HG       GLU  52   7.188   8.876  -2.051
  431    H    GLY  53           H        GLY  53   4.238   6.068  -3.789
  432   1HA   GLY  53          2HA       GLY  53   5.648   5.025  -1.448
  433   2HA   GLY  53          1HA       GLY  53   3.916   4.761  -1.540
  434    H    GLN  54           H        GLN  54   5.904   2.761  -1.408
  435    HA   GLN  54           HA       GLN  54   5.372   1.381  -3.942
  436   1HB   GLN  54          2HB       GLN  54   7.883   0.589  -2.657
  437   2HB   GLN  54          1HB       GLN  54   7.543   0.919  -4.350
  438   1HG   GLN  54          2HG       GLN  54   8.449   2.938  -4.228
  439   2HG   GLN  54          1HG       GLN  54   7.530   3.342  -2.779
  440   1HE2  GLN  54          1HE2      GLN  54   8.377   1.955  -0.814
  441   2HE2  GLN  54          2HE2      GLN  54  10.085   2.048  -0.575
  442    H    LEU  55           H        LEU  55   4.995  -0.841  -3.756
  443    HA   LEU  55           HA       LEU  55   4.396  -1.707  -1.021
  444   1HB   LEU  55          2HB       LEU  55   2.639  -1.727  -2.848
  445   2HB   LEU  55          1HB       LEU  55   3.543  -3.036  -3.585
  446    HG   LEU  55           HG       LEU  55   3.242  -4.326  -1.440
  447   1HD1  LEU  55          1HD1      LEU  55   2.717  -2.299  -0.068
  448   2HD1  LEU  55          2HD1      LEU  55   1.591  -3.641   0.131
  449   3HD1  LEU  55          3HD1      LEU  55   1.140  -2.251  -0.856
  450   1HD2  LEU  55          1HD2      LEU  55   0.787  -3.515  -2.991
  451   2HD2  LEU  55          2HD2      LEU  55   0.910  -4.932  -1.947
  452   3HD2  LEU  55          3HD2      LEU  55   1.909  -4.814  -3.395
  453    H    ILE  56           H        ILE  56   6.058  -2.717  -0.107
  454    HA   ILE  56           HA       ILE  56   7.766  -4.472  -1.703
  455    HB   ILE  56           HB       ILE  56   8.027  -3.377   1.099
  456   1HG1  ILE  56          2HG1      ILE  56  10.113  -2.388   0.187
  457   2HG1  ILE  56          1HG1      ILE  56   9.742  -3.071  -1.392
  458   1HG2  ILE  56          1HG2      ILE  56   9.550  -5.576  -0.243
  459   2HG2  ILE  56          2HG2      ILE  56   8.900  -5.505   1.395
  460   3HG2  ILE  56          3HG2      ILE  56  10.321  -4.553   0.968
  461   1HD1  ILE  56          1HD1      ILE  56   9.179  -0.721  -1.312
  462   2HD1  ILE  56          2HD1      ILE  56   8.129  -0.996   0.078
  463   3HD1  ILE  56          3HD1      ILE  56   7.717  -1.692  -1.488
  464    H    SER  57           H        SER  57   7.418  -6.596  -1.743
  465    HA   SER  57           HA       SER  57   5.632  -7.782   0.226
  466   1HB   SER  57          2HB       SER  57   4.958  -9.181  -1.401
  467   2HB   SER  57          1HB       SER  57   5.811  -8.100  -2.506
  468    HG   SER  57           HG       SER  57   6.299 -10.600  -2.205
  469    H    ILE  58           H        ILE  58   6.487  -8.627   1.919
  470    HA   ILE  58           HA       ILE  58   9.215  -9.707   1.796
  471    HB   ILE  58           HB       ILE  58   7.676  -8.957   4.278
  472   1HG1  ILE  58          2HG1      ILE  58   9.889  -7.352   3.001
  473   2HG1  ILE  58          1HG1      ILE  58   8.192  -7.053   2.641
  474   1HG2  ILE  58          1HG2      ILE  58   9.844 -10.566   4.059
  475   2HG2  ILE  58          2HG2      ILE  58   9.471  -9.582   5.476
  476   3HG2  ILE  58          3HG2      ILE  58  10.612  -8.992   4.268
  477   1HD1  ILE  58          1HD1      ILE  58   9.113  -7.089   5.474
  478   2HD1  ILE  58          2HD1      ILE  58   7.752  -6.238   4.744
  479   3HD1  ILE  58          3HD1      ILE  58   9.399  -5.669   4.469
  480    H    GLN  59           H        GLN  59   9.289 -11.813   1.524
  481    HA   GLN  59           HA       GLN  59   7.180 -13.534   2.565
  482   1HB   GLN  59          2HB       GLN  59   9.178 -13.700   0.445
  483   2HB   GLN  59          1HB       GLN  59   9.115 -15.162   1.419
  484   1HG   GLN  59          2HG       GLN  59   6.646 -15.210   1.033
  485   2HG   GLN  59          1HG       GLN  59   6.863 -13.883  -0.106
  486   1HE2  GLN  59          1HE2      GLN  59   9.022 -16.613   0.415
  487   2HE2  GLN  59          2HE2      GLN  59   8.838 -17.295  -1.161
  488    H    GLN  60           H        GLN  60   8.337 -15.813   3.283
  489    HA   GLN  60           HA       GLN  60   9.352 -15.293   5.851
  490   1HB   GLN  60          2HB       GLN  60   9.571 -17.642   6.103
  491   2HB   GLN  60          1HB       GLN  60   8.166 -17.388   5.077
  492   1HG   GLN  60          2HG       GLN  60   9.281 -18.124   3.166
  493   2HG   GLN  60          1HG       GLN  60  10.868 -17.935   3.908
  494   1HE2  GLN  60          1HE2      GLN  60  11.708 -19.563   5.113
  495   2HE2  GLN  60          2HE2      GLN  60  10.952 -21.104   5.309
  496    H    TYR  61           H        TYR  61  10.894 -15.294   2.825
  497    HA   TYR  61           HA       TYR  61  13.544 -15.703   4.023
  498   1HB   TYR  61          2HB       TYR  61  12.675 -15.630   1.128
  499   2HB   TYR  61          1HB       TYR  61  14.341 -15.827   1.664
  500    HD1  TYR  61           1HD      TYR  61  14.220 -17.736   3.806
  501    HD2  TYR  61           2HD      TYR  61  11.933 -17.617   0.220
  502    HE1  TYR  61           1HE      TYR  61  13.886 -20.167   3.945
  503    HE2  TYR  61           2HE      TYR  61  11.593 -20.049   0.349
  504    HH   TYR  61           HH       TYR  61  13.325 -22.066   1.932
  505    H    GLY  62           H        GLY  62  11.494 -13.223   3.503
  506   1HA   GLY  62          2HA       GLY  62  12.329 -10.999   4.089
  507   2HA   GLY  62          1HA       GLY  62  13.714 -11.327   3.059
  508    H    HIS  63           H        HIS  63  12.586  -9.030   2.520
  509    HA   HIS  63           HA       HIS  63  10.334  -8.920   0.895
  510   1HB   HIS  63          2HB       HIS  63  11.030  -6.764   0.263
  511   2HB   HIS  63          1HB       HIS  63  11.714  -6.993   1.867
  512    HD2  HIS  63           2HD      HIS  63  14.428  -6.813   2.034
  513    HE1  HIS  63           1HE      HIS  63  15.112  -6.414  -2.123
  514    HE2  HIS  63           2HE      HIS  63  16.200  -6.500   0.166
  515    H    GLN  64           H        GLN  64  10.149  -8.691  -1.450
  516    HA   GLN  64           HA       GLN  64  12.292  -9.433  -3.156
  517   1HB   GLN  64          2HB       GLN  64  10.977 -11.588  -3.917
  518   2HB   GLN  64          1HB       GLN  64  12.159 -11.648  -2.617
  519   1HG   GLN  64          2HG       GLN  64  10.337 -11.454  -0.980
  520   2HG   GLN  64          1HG       GLN  64   9.171 -11.456  -2.302
  521   1HE2  GLN  64          1HE2      GLN  64  11.614 -13.350  -0.648
  522   2HE2  GLN  64          2HE2      GLN  64  11.017 -14.896  -1.134
  523    H    GLU  65           H        GLU  65   9.361  -8.018  -2.681
  524    HA   GLU  65           HA       GLU  65   8.970  -7.745  -5.568
  525   1HB   GLU  65          2HB       GLU  65   7.383  -9.455  -4.069
  526   2HB   GLU  65          1HB       GLU  65   6.423  -7.988  -4.171
  527   1HG   GLU  65          2HG       GLU  65   6.595  -8.032  -6.607
  528   2HG   GLU  65          1HG       GLU  65   7.573  -9.495  -6.514
  529    H    VAL  66           H        VAL  66   9.069  -5.601  -5.923
  530    HA   VAL  66           HA       VAL  66   7.433  -3.900  -4.200
  531    HB   VAL  66           HB       VAL  66   9.468  -3.502  -3.226
  532   1HG1  VAL  66          1HG1      VAL  66  10.640  -4.684  -5.239
  533   2HG1  VAL  66          2HG1      VAL  66  11.527  -3.633  -4.133
  534   3HG1  VAL  66          3HG1      VAL  66  11.004  -3.020  -5.705
  535   1HG2  VAL  66          1HG2      VAL  66   9.886  -1.320  -5.152
  536   2HG2  VAL  66          2HG2      VAL  66   9.633  -1.264  -3.407
  537   3HG2  VAL  66          3HG2      VAL  66   8.255  -1.453  -4.492
  538    H    THR  67           H        THR  67   6.412  -2.234  -5.140
  539    HA   THR  67           HA       THR  67   6.998  -1.590  -7.942
  540    HB   THR  67           HB       THR  67   4.200  -2.099  -6.905
  541    HG1  THR  67           1HG      THR  67   4.481  -3.863  -8.604
  542   1HG2  THR  67          1HG2      THR  67   4.514  -2.125  -9.766
  543   2HG2  THR  67          2HG2      THR  67   5.108  -0.603  -9.101
  544   3HG2  THR  67          3HG2      THR  67   3.457  -1.126  -8.769
  545    H    ARG  68           H        ARG  68   7.166   0.552  -8.205
  546    HA   ARG  68           HA       ARG  68   6.384   2.320  -6.055
  547   1HB   ARG  68          2HB       ARG  68   7.613   3.129  -8.683
  548   2HB   ARG  68          1HB       ARG  68   7.671   3.986  -7.148
  549   1HG   ARG  68          2HG       ARG  68   9.397   2.770  -6.383
  550   2HG   ARG  68          1HG       ARG  68   8.813   1.279  -7.118
  551   1HD   ARG  68          2HD       ARG  68  10.998   2.383  -7.996
  552   2HD   ARG  68          1HD       ARG  68   9.831   1.715  -9.137
  553    HE   ARG  68           HE       ARG  68   9.399   3.838  -9.903
  554   1HH1  ARG  68          1HH1      ARG  68  11.234   4.023  -6.944
  555   2HH1  ARG  68          2HH1      ARG  68  11.524   5.725  -7.081
  556   1HH2  ARG  68          1HH2      ARG  68   9.772   6.078 -10.087
  557   2HH2  ARG  68          2HH2      ARG  68  10.691   6.894  -8.867
  558    H    PHE  69           H        PHE  69   4.865   3.904  -6.103
  559    HA   PHE  69           HA       PHE  69   3.398   4.536  -8.508
  560   1HB   PHE  69          2HB       PHE  69   1.182   4.004  -7.283
  561   2HB   PHE  69          1HB       PHE  69   2.063   2.677  -8.032
  562    HD1  PHE  69           1HD      PHE  69   1.416   4.361  -4.797
  563    HD2  PHE  69           2HD      PHE  69   2.788   0.850  -6.772
  564    HE1  PHE  69           1HE      PHE  69   1.438   3.163  -2.645
  565    HE2  PHE  69           2HE      PHE  69   2.812  -0.353  -4.626
  566    HZ   PHE  69           HZ       PHE  69   2.136   0.803  -2.560
  567    H    ASP  70           H        ASP  70   1.930   6.330  -8.217
  568    HA   ASP  70           HA       ASP  70   2.559   7.927  -5.821
  569   1HB   ASP  70          2HB       ASP  70   2.234   8.690  -8.705
  570   2HB   ASP  70          1HB       ASP  70   1.881   9.870  -7.446
  571    H    PHE  71           H        PHE  71   0.876   8.612  -4.597
  572    HA   PHE  71           HA       PHE  71  -1.784   8.737  -5.744
  573   1HB   PHE  71          2HB       PHE  71  -2.767   7.059  -4.487
  574   2HB   PHE  71          1HB       PHE  71  -1.213   6.348  -4.902
  575    HD1  PHE  71           1HD      PHE  71  -3.456   7.071  -2.285
  576    HD2  PHE  71           2HD      PHE  71   0.695   6.696  -3.154
  577    HE1  PHE  71           1HE      PHE  71  -2.993   6.701   0.103
  578    HE2  PHE  71           2HE      PHE  71   1.164   6.324  -0.768
  579    HZ   PHE  71           HZ       PHE  71  -0.681   6.326   0.864
  580    H    THR  72           H        THR  72  -3.405   9.555  -4.245
  581    HA   THR  72           HA       THR  72  -2.440  10.936  -1.876
  582    HB   THR  72           HB       THR  72  -3.878  12.976  -2.854
  583    HG1  THR  72           1HG      THR  72  -3.651  11.451  -4.957
  584   1HG2  THR  72          1HG2      THR  72  -1.030  12.313  -2.769
  585   2HG2  THR  72          2HG2      THR  72  -1.870  13.769  -2.235
  586   3HG2  THR  72          3HG2      THR  72  -1.431  13.576  -3.932
  587    H    THR  73           H        THR  73  -4.185  11.660  -0.493
  588    HA   THR  73           HA       THR  73  -6.438   9.893  -0.598
  589    HB   THR  73           HB       THR  73  -5.360  10.605   1.538
  590    HG1  THR  73           1HG      THR  73  -8.105  10.784   1.012
  591   1HG2  THR  73          1HG2      THR  73  -6.531  12.897   2.306
  592   2HG2  THR  73          2HG2      THR  73  -6.311  13.239   0.589
  593   3HG2  THR  73          3HG2      THR  73  -4.920  12.829   1.592
  594    H    THR  74           H        THR  74  -5.818  13.146  -1.592
  595    HA   THR  74           HA       THR  74  -8.378  13.317  -2.880
  596    HB   THR  74           HB       THR  74  -8.514  15.743  -1.618
  597    HG1  THR  74           1HG      THR  74  -8.322  14.174   0.624
  598   1HG2  THR  74          1HG2      THR  74  -9.910  13.150  -1.381
  599   2HG2  THR  74          2HG2      THR  74 -10.546  14.749  -1.765
  600   3HG2  THR  74          3HG2      THR  74 -10.206  14.313  -0.090
  601    H    SER  75           H        SER  75  -6.334  13.287  -4.357
  602    HA   SER  75           HA       SER  75  -6.058  15.943  -5.404
  603   1HB   SER  75          2HB       SER  75  -4.297  15.689  -3.527
  604   2HB   SER  75          1HB       SER  75  -3.465  14.613  -4.649
  605    HG   SER  75           HG       SER  75  -3.687  16.452  -6.179
  606    H    THR  76           H        THR  76  -3.329  14.727  -6.494
  607    HA   THR  76           HA       THR  76  -4.357  13.945  -8.995
  608    HB   THR  76           HB       THR  76  -2.050  14.898  -8.512
  609    HG1  THR  76           1HG      THR  76  -1.783  12.573 -10.073
  610   1HG2  THR  76          1HG2      THR  76  -0.716  13.745  -7.143
  611   2HG2  THR  76          2HG2      THR  76  -0.587  12.512  -8.399
  612   3HG2  THR  76          3HG2      THR  76  -1.818  12.367  -7.143
  613    H    SER  77           H        SER  77  -3.023  11.772  -9.860
  614    HA   SER  77           HA       SER  77  -3.046   9.510 -10.004
  615   1HB   SER  77          2HB       SER  77  -2.398   8.361  -8.162
  616   2HB   SER  77          1HB       SER  77  -2.271   9.964  -7.438
  617    HG   SER  77           HG       SER  77  -3.664   8.097  -6.472
  618    H    THR  78           H        THR  78  -4.473   7.672 -10.012
  619    HA   THR  78           HA       THR  78  -7.217   8.099  -9.156
  620    HB   THR  78           HB       THR  78  -7.592   7.161 -11.744
  621    HG1  THR  78           1HG      THR  78  -5.569   7.830 -12.428
  622   1HG2  THR  78          1HG2      THR  78  -7.947   9.860 -10.467
  623   2HG2  THR  78          2HG2      THR  78  -9.163   8.619 -10.770
  624   3HG2  THR  78          3HG2      THR  78  -8.477   9.529 -12.117
  625    HA   PRO  79           HA       PRO  79  -6.736   3.712  -8.632
  626   1HB   PRO  79          2HB       PRO  79  -9.181   3.116  -7.733
  627   2HB   PRO  79          1HB       PRO  79  -8.068   4.099  -6.773
  628   1HG   PRO  79          2HG       PRO  79 -10.368   4.969  -8.482
  629   2HG   PRO  79          1HG       PRO  79  -9.901   5.531  -6.866
  630   1HD   PRO  79          2HD       PRO  79  -9.287   6.855  -9.195
  631   2HD   PRO  79          1HD       PRO  79  -8.348   6.994  -7.696
  632    H    GLY  80           H        GLY  80  -6.679   3.900 -11.195
  633   1HA   GLY  80          2HA       GLY  80  -8.900   2.220 -12.176
  634   2HA   GLY  80          1HA       GLY  80  -8.255   3.539 -13.141
  635    H    SER  81           H        SER  81  -5.873   1.972 -11.331
  636    HA   SER  81           HA       SER  81  -5.285  -0.022 -13.367
  637   1HB   SER  81          2HB       SER  81  -4.156   2.459 -13.648
  638   2HB   SER  81          1HB       SER  81  -2.925   1.608 -12.715
  639    HG   SER  81           HG       SER  81  -3.377  -0.121 -14.425
  640    H    ARG  82           H        ARG  82  -2.827  -0.826 -12.674
  641    HA   ARG  82           HA       ARG  82  -1.734  -2.176 -11.206
  642   1HB   ARG  82          2HB       ARG  82  -2.283   0.322  -9.806
  643   2HB   ARG  82          1HB       ARG  82  -2.096  -1.035  -8.704
  644   1HG   ARG  82          2HG       ARG  82   0.077  -0.475  -8.838
  645   2HG   ARG  82          1HG       ARG  82   0.016  -1.460 -10.302
  646   1HD   ARG  82          2HD       ARG  82  -0.824   1.247 -10.837
  647   2HD   ARG  82          1HD       ARG  82   0.773   1.220 -10.091
  648    HE   ARG  82           HE       ARG  82   1.157  -0.574 -11.960
  649   1HH1  ARG  82          1HH1      ARG  82  -0.612   2.421 -12.198
  650   2HH1  ARG  82          2HH1      ARG  82  -0.269   2.638 -13.882
  651   1HH2  ARG  82          1HH2      ARG  82   1.611  -0.294 -14.178
  652   2HH2  ARG  82          2HH2      ARG  82   0.993   1.096 -15.007
  653    H    SER  83           H        SER  83  -3.384  -3.811 -11.591
  654    HA   SER  83           HA       SER  83  -5.061  -4.292  -9.216
  655   1HB   SER  83          2HB       SER  83  -6.078  -5.896 -11.253
  656   2HB   SER  83          1HB       SER  83  -6.774  -4.384 -10.668
  657    HG   SER  83           HG       SER  83  -6.366  -4.468 -12.973
  658    H    HIS  84           H        HIS  84  -5.618  -6.747  -9.071
  659    HA   HIS  84           HA       HIS  84  -3.170  -8.113  -8.610
  660   1HB   HIS  84          2HB       HIS  84  -6.042  -8.650  -8.198
  661   2HB   HIS  84          1HB       HIS  84  -5.040 -10.080  -8.420
  662    HD2  HIS  84           2HD      HIS  84  -2.657  -9.921  -6.590
  663    HE1  HIS  84           1HE      HIS  84  -5.099  -8.096  -3.655
  664    HE2  HIS  84           2HE      HIS  84  -2.991  -9.442  -4.063
  665    H    HIS  85           H        HIS  85  -5.569  -8.207 -11.168
  666    HA   HIS  85           HA       HIS  85  -3.727  -9.494 -12.943
  667   1HB   HIS  85          2HB       HIS  85  -4.899 -11.340 -11.497
  668   2HB   HIS  85          1HB       HIS  85  -6.270 -11.034 -12.559
  669    HD2  HIS  85           2HD      HIS  85  -2.435 -11.747 -13.255
  670    HE1  HIS  85           1HE      HIS  85  -4.869 -13.975 -15.906
  671    HE2  HIS  85           2HE      HIS  85  -2.499 -13.568 -15.102
  672    H    HIS  86           H        HIS  86  -4.064  -8.709 -14.914
  673    HA   HIS  86           HA       HIS  86  -6.397  -7.093 -15.425
  674   1HB   HIS  86          2HB       HIS  86  -3.732  -7.195 -16.380
  675   2HB   HIS  86          1HB       HIS  86  -4.783  -7.455 -17.768
  676    HD2  HIS  86           2HD      HIS  86  -5.212  -4.897 -14.782
  677    HE1  HIS  86           1HE      HIS  86  -5.397  -2.879 -18.500
  678    HE2  HIS  86           2HE      HIS  86  -5.718  -2.658 -15.993
  679    H    HIS  87           H        HIS  87  -6.618  -7.490 -18.223
  680    HA   HIS  87           HA       HIS  87  -8.209  -9.941 -18.215
  681   1HB   HIS  87          2HB       HIS  87  -9.019  -8.938 -20.461
  682   2HB   HIS  87          1HB       HIS  87  -9.527  -8.166 -18.963
  683    HD2  HIS  87           2HD      HIS  87  -6.550  -7.580 -21.505
  684    HE1  HIS  87           1HE      HIS  87  -8.072  -3.881 -20.120
  685    HE2  HIS  87           2HE      HIS  87  -6.271  -5.001 -21.509
  686    H    HIS  88           H        HIS  88  -5.171  -8.966 -19.159
  687    HA   HIS  88           HA       HIS  88  -4.895 -11.306 -20.870
  688   1HB   HIS  88          2HB       HIS  88  -4.903  -8.596 -21.875
  689   2HB   HIS  88          1HB       HIS  88  -3.351  -9.371 -22.177
  690    HD2  HIS  88           2HD      HIS  88  -3.357 -11.424 -24.019
  691    HE1  HIS  88           1HE      HIS  88  -7.440 -11.009 -25.047
  692    HE2  HIS  88           2HE      HIS  88  -5.285 -12.248 -25.543
  693    H    HIS  89           H        HIS  89  -3.803  -9.361 -18.428
  694    HA   HIS  89           HA       HIS  89  -1.938  -9.327 -17.135
  695   1HB   HIS  89          2HB       HIS  89  -2.100 -11.690 -16.951
  696   2HB   HIS  89          1HB       HIS  89  -1.512 -11.933 -18.591
  697    HD2  HIS  89           2HD      HIS  89  -0.016 -10.568 -15.199
  698    HE1  HIS  89           1HE      HIS  89   2.993 -12.494 -17.469
  699    HE2  HIS  89           2HE      HIS  89   2.414 -11.475 -15.220
  Start of MODEL   28
    1   1H    MET   1          1HT       MET   1  17.517 -16.064  -6.898
    2   2H    MET   1          2HT       MET   1  15.877 -16.389  -7.157
    3   3H    MET   1          3HT       MET   1  16.728 -17.232  -5.962
    4    HA   MET   1           HA       MET   1  15.868 -15.755  -4.557
    5   1HB   MET   1          2HB       MET   1  18.132 -14.379  -5.952
    6   2HB   MET   1          1HB       MET   1  17.231 -13.505  -4.720
    7   1HG   MET   1          2HG       MET   1  18.843 -14.389  -3.406
    8   2HG   MET   1          1HG       MET   1  17.694 -15.723  -3.346
    9   1HE   MET   1          1HE       MET   1  21.494 -14.840  -4.391
   10   2HE   MET   1          2HE       MET   1  20.348 -14.191  -5.564
   11   3HE   MET   1          3HE       MET   1  21.414 -15.521  -6.016
   12    H    ARG   2           H        ARG   2  16.503 -13.566  -7.301
   13    HA   ARG   2           HA       ARG   2  13.702 -12.670  -7.105
   14   1HB   ARG   2          2HB       ARG   2  15.713 -11.079  -6.489
   15   2HB   ARG   2          1HB       ARG   2  15.834 -10.904  -8.235
   16   1HG   ARG   2          2HG       ARG   2  13.354 -10.320  -8.180
   17   2HG   ARG   2          1HG       ARG   2  13.558 -10.151  -6.435
   18   1HD   ARG   2          2HD       ARG   2  15.560  -8.763  -8.092
   19   2HD   ARG   2          1HD       ARG   2  13.914  -8.141  -8.209
   20    HE   ARG   2           HE       ARG   2  13.994  -7.555  -5.936
   21   1HH1  ARG   2          1HH1      ARG   2  16.971  -8.994  -7.039
   22   2HH1  ARG   2          2HH1      ARG   2  17.891  -8.441  -5.680
   23   1HH2  ARG   2          1HH2      ARG   2  15.198  -6.823  -4.146
   24   2HH2  ARG   2          2HH2      ARG   2  16.884  -7.207  -4.035
   25    H    GLY   3           H        GLY   3  14.914 -14.808  -8.767
   26   1HA   GLY   3          2HA       GLY   3  14.369 -13.668 -11.436
   27   2HA   GLY   3          1HA       GLY   3  15.437 -15.032 -11.150
   28    H    SER   4           H        SER   4  14.092 -16.744  -9.656
   29    HA   SER   4           HA       SER   4  12.277 -17.939 -11.427
   30   1HB   SER   4          2HB       SER   4  13.546 -19.226  -9.772
   31   2HB   SER   4          1HB       SER   4  12.651 -18.449  -8.467
   32    HG   SER   4           HG       SER   4  10.972 -19.680  -8.868
   33    H    ASN   5           H        ASN   5  10.095 -17.976 -11.574
   34    HA   ASN   5           HA       ASN   5   8.646 -15.824 -10.326
   35   1HB   ASN   5          2HB       ASN   5   6.705 -16.880 -11.650
   36   2HB   ASN   5          1HB       ASN   5   8.039 -16.183 -12.566
   37   1HD2  ASN   5          1HD2      ASN   5   6.235 -18.985 -11.877
   38   2HD2  ASN   5          2HD2      ASN   5   7.115 -20.083 -12.880
   39    H    ALA   6           H        ALA   6   7.332 -15.919  -8.615
   40    HA   ALA   6           HA       ALA   6   6.072 -18.366  -7.776
   41   1HB   ALA   6          1HB       ALA   6   7.214 -18.830  -5.845
   42   2HB   ALA   6          2HB       ALA   6   7.815 -17.181  -5.673
   43   3HB   ALA   6          3HB       ALA   6   8.536 -18.263  -6.864
   44    HA   PRO   7           HA       PRO   7   3.951 -14.393  -6.563
   45   1HB   PRO   7          2HB       PRO   7   1.728 -14.659  -8.038
   46   2HB   PRO   7          1HB       PRO   7   3.224 -14.018  -8.729
   47   1HG   PRO   7          2HG       PRO   7   2.078 -16.777  -8.928
   48   2HG   PRO   7          1HG       PRO   7   2.817 -15.779 -10.195
   49   1HD   PRO   7          2HD       PRO   7   4.143 -17.771  -8.867
   50   2HD   PRO   7          1HD       PRO   7   4.948 -16.357  -9.575
   51    H    GLN   8           H        GLN   8   3.684 -17.592  -6.018
   52    HA   GLN   8           HA       GLN   8   2.566 -18.876  -4.517
   53   1HB   GLN   8          2HB       GLN   8   1.889 -16.123  -3.572
   54   2HB   GLN   8          1HB       GLN   8   1.027 -17.491  -2.877
   55   1HG   GLN   8          2HG       GLN   8   4.025 -17.297  -2.957
   56   2HG   GLN   8          1HG       GLN   8   3.047 -16.713  -1.611
   57   1HE2  GLN   8          1HE2      GLN   8   4.974 -19.106  -2.370
   58   2HE2  GLN   8          2HE2      GLN   8   4.223 -20.433  -1.557
   59    HA   PRO   9           HA       PRO   9  -1.275 -19.571  -6.622
   60   1HB   PRO   9          2HB       PRO   9  -2.160 -21.707  -5.241
   61   2HB   PRO   9          1HB       PRO   9  -0.781 -21.809  -6.344
   62   1HG   PRO   9          2HG       PRO   9  -0.807 -21.556  -3.360
   63   2HG   PRO   9          1HG       PRO   9   0.198 -22.597  -4.385
   64   1HD   PRO   9          2HD       PRO   9   1.074 -20.239  -3.332
   65   2HD   PRO   9          1HD       PRO   9   1.679 -20.905  -4.862
   66    H    SER  10           H        SER  10  -1.018 -18.109  -3.732
   67    HA   SER  10           HA       SER  10  -3.915 -17.748  -3.527
   68   1HB   SER  10          2HB       SER  10  -2.195 -18.158  -1.075
   69   2HB   SER  10          1HB       SER  10  -3.953 -18.035  -1.150
   70    HG   SER  10           HG       SER  10  -2.310 -20.135  -2.103
   71    H    HIS  11           H        HIS  11  -1.271 -16.677  -1.419
   72    HA   HIS  11           HA       HIS  11  -1.149 -14.057  -2.566
   73   1HB   HIS  11          2HB       HIS  11  -2.059 -12.809  -0.690
   74   2HB   HIS  11          1HB       HIS  11  -3.284 -13.905  -1.319
   75    HD2  HIS  11           2HD      HIS  11  -4.320 -15.655   0.471
   76    HE1  HIS  11           1HE      HIS  11  -1.642 -14.760   3.625
   77    HE2  HIS  11           2HE      HIS  11  -3.826 -15.891   3.007
   78    H    ILE  12           H        ILE  12   0.265 -12.598  -1.263
   79    HA   ILE  12           HA       ILE  12   2.610 -14.011  -0.455
   80    HB   ILE  12           HB       ILE  12   3.032 -11.978  -1.546
   81   1HG1  ILE  12          2HG1      ILE  12   3.649 -10.486   0.731
   82   2HG1  ILE  12          1HG1      ILE  12   3.715 -12.158   1.273
   83   1HG2  ILE  12          1HG2      ILE  12   1.895  -9.966   0.096
   84   2HG2  ILE  12          2HG2      ILE  12   0.635 -11.139  -0.289
   85   3HG2  ILE  12          3HG2      ILE  12   1.533 -10.350  -1.587
   86   1HD1  ILE  12          1HD1      ILE  12   5.779 -10.871   0.177
   87   2HD1  ILE  12          2HD1      ILE  12   5.061 -11.573  -1.274
   88   3HD1  ILE  12          3HD1      ILE  12   5.548 -12.615   0.063
   89    H    SER  13           H        SER  13   3.592 -14.085   1.575
   90    HA   SER  13           HA       SER  13   2.000 -14.568   3.780
   91   1HB   SER  13          2HB       SER  13   4.860 -13.585   3.891
   92   2HB   SER  13          1HB       SER  13   4.025 -14.564   5.097
   93    HG   SER  13           HG       SER  13   4.797 -15.310   2.476
   94    H    LYS  14           H        LYS  14   3.739 -11.579   2.928
   95    HA   LYS  14           HA       LYS  14   1.764 -10.010   4.307
   96   1HB   LYS  14          2HB       LYS  14   3.064  -9.087   6.017
   97   2HB   LYS  14          1HB       LYS  14   3.453 -10.800   6.074
   98   1HG   LYS  14          2HG       LYS  14   5.403 -10.023   4.452
   99   2HG   LYS  14          1HG       LYS  14   5.136  -8.494   5.292
  100   1HD   LYS  14          2HD       LYS  14   5.197 -10.039   7.424
  101   2HD   LYS  14          1HD       LYS  14   6.107 -11.104   6.352
  102   1HE   LYS  14          2HE       LYS  14   7.858  -9.900   7.122
  103   2HE   LYS  14          1HE       LYS  14   7.361  -8.788   5.848
  104   1HZ   LYS  14          1HZ       LYS  14   7.301  -8.447   8.694
  105   2HZ   LYS  14          2HZ       LYS  14   5.824  -8.060   7.964
  106   3HZ   LYS  14          3HZ       LYS  14   7.242  -7.284   7.465
  107    H    TYR  15           H        TYR  15   1.733  -7.882   3.682
  108    HA   TYR  15           HA       TYR  15   3.619  -7.137   1.544
  109   1HB   TYR  15          2HB       TYR  15   0.759  -7.160   1.621
  110   2HB   TYR  15          1HB       TYR  15   1.290  -5.488   1.492
  111    HD1  TYR  15           1HD      TYR  15   3.590  -5.554  -0.224
  112    HD2  TYR  15           2HD      TYR  15   0.041  -7.890  -0.445
  113    HE1  TYR  15           1HE      TYR  15   3.933  -5.837  -2.643
  114    HE2  TYR  15           2HE      TYR  15   0.376  -8.183  -2.863
  115    HH   TYR  15           HH       TYR  15   1.621  -7.672  -4.624
  116    H    ILE  16           H        ILE  16   4.568  -5.099   1.600
  117    HA   ILE  16           HA       ILE  16   4.165  -3.602   4.092
  118    HB   ILE  16           HB       ILE  16   6.521  -4.664   2.942
  119   1HG1  ILE  16          2HG1      ILE  16   5.718  -4.262   5.372
  120   2HG1  ILE  16          1HG1      ILE  16   7.434  -4.176   5.009
  121   1HG2  ILE  16          1HG2      ILE  16   7.965  -2.845   2.583
  122   2HG2  ILE  16          2HG2      ILE  16   6.765  -1.676   3.141
  123   3HG2  ILE  16          3HG2      ILE  16   6.527  -2.530   1.613
  124   1HD1  ILE  16          1HD1      ILE  16   6.599  -2.392   6.532
  125   2HD1  ILE  16          2HD1      ILE  16   5.638  -1.770   5.191
  126   3HD1  ILE  16          3HD1      ILE  16   7.398  -1.788   5.081
  127    H    LEU  17           H        LEU  17   3.789  -1.453   4.026
  128    HA   LEU  17           HA       LEU  17   3.696  -0.175   1.372
  129   1HB   LEU  17          2HB       LEU  17   1.522  -0.724   2.955
  130   2HB   LEU  17          1HB       LEU  17   1.907   0.920   3.429
  131    HG   LEU  17           HG       LEU  17   1.923   0.652   0.545
  132   1HD1  LEU  17          1HD1      LEU  17  -0.852   0.466   1.406
  133   2HD1  LEU  17          2HD1      LEU  17   0.063  -1.017   1.679
  134   3HD1  LEU  17          3HD1      LEU  17  -0.023  -0.318   0.061
  135   1HD2  LEU  17          1HD2      LEU  17   1.692   2.691   2.130
  136   2HD2  LEU  17          2HD2      LEU  17  -0.017   2.262   2.149
  137   3HD2  LEU  17          3HD2      LEU  17   0.777   2.656   0.624
  138    H    ARG  18           H        ARG  18   5.205   1.338   1.241
  139    HA   ARG  18           HA       ARG  18   5.750   2.985   3.620
  140   1HB   ARG  18          2HB       ARG  18   7.990   2.918   1.802
  141   2HB   ARG  18          1HB       ARG  18   7.939   2.538   3.518
  142   1HG   ARG  18          2HG       ARG  18   6.768   0.339   2.302
  143   2HG   ARG  18          1HG       ARG  18   8.105   0.773   1.235
  144   1HD   ARG  18          2HD       ARG  18   8.496   0.597   4.201
  145   2HD   ARG  18          1HD       ARG  18   8.540  -0.853   3.197
  146    HE   ARG  18           HE       ARG  18  10.238   1.150   2.135
  147   1HH1  ARG  18          1HH1      ARG  18  10.021  -1.169   4.727
  148   2HH1  ARG  18          2HH1      ARG  18  11.737  -1.353   4.878
  149   1HH2  ARG  18          1HH2      ARG  18  12.497   0.912   2.326
  150   2HH2  ARG  18          2HH2      ARG  18  13.144  -0.170   3.514
  151    H    TRP  19           H        TRP  19   5.542   5.148   3.328
  152    HA   TRP  19           HA       TRP  19   5.962   6.324   0.729
  153   1HB   TRP  19          2HB       TRP  19   3.744   7.147   0.364
  154   2HB   TRP  19          1HB       TRP  19   3.636   5.407   0.609
  155    HD1  TRP  19           HD       TRP  19   2.221   8.609   1.818
  156    HE1  TRP  19           1HE      TRP  19   0.687   8.205   3.846
  157    HE3  TRP  19           3HE      TRP  19   3.535   3.786   2.883
  158    HZ2  TRP  19           2HZ      TRP  19   0.117   6.123   5.662
  159    HZ3  TRP  19           3HZ      TRP  19   2.452   2.662   4.785
  160    HH2  TRP  19           HH       TRP  19   0.780   3.807   6.145
  161    H    ARG  20           H        ARG  20   5.788   8.611   0.687
  162    HA   ARG  20           HA       ARG  20   5.424  10.116   3.103
  163   1HB   ARG  20          2HB       ARG  20   7.592  10.708   3.594
  164   2HB   ARG  20          1HB       ARG  20   7.860   9.068   3.021
  165   1HG   ARG  20          2HG       ARG  20   8.168  10.255   0.706
  166   2HG   ARG  20          1HG       ARG  20   8.507  11.661   1.715
  167   1HD   ARG  20          2HD       ARG  20  10.321  10.571   2.776
  168   2HD   ARG  20          1HD       ARG  20   9.868   9.009   2.100
  169    HE   ARG  20           HE       ARG  20  10.495   9.960  -0.102
  170   1HH1  ARG  20          1HH1      ARG  20  11.784  11.352   2.820
  171   2HH1  ARG  20          2HH1      ARG  20  13.197  11.987   2.048
  172   1HH2  ARG  20          1HH2      ARG  20  12.356  10.789  -1.128
  173   2HH2  ARG  20          2HH2      ARG  20  13.522  11.668  -0.196
  174    HA   PRO  21           HA       PRO  21   4.437  13.347   0.253
  175   1HB   PRO  21          2HB       PRO  21   6.276  15.208   1.653
  176   2HB   PRO  21          1HB       PRO  21   4.540  15.352   1.359
  177   1HG   PRO  21          2HG       PRO  21   5.476  14.786   3.794
  178   2HG   PRO  21          1HG       PRO  21   3.987  14.040   3.187
  179   1HD   PRO  21          2HD       PRO  21   6.735  12.879   3.413
  180   2HD   PRO  21          1HD       PRO  21   5.161  12.118   3.722
  181    H    LYS  22           H        LYS  22   5.288  12.979  -1.727
  182    HA   LYS  22           HA       LYS  22   8.051  12.849  -2.298
  183   1HB   LYS  22          2HB       LYS  22   5.995  11.932  -3.622
  184   2HB   LYS  22          1HB       LYS  22   6.016  13.510  -4.398
  185   1HG   LYS  22          2HG       LYS  22   8.365  13.110  -5.059
  186   2HG   LYS  22          1HG       LYS  22   8.250  11.491  -4.367
  187   1HD   LYS  22          2HD       LYS  22   7.394  10.745  -6.275
  188   2HD   LYS  22          1HD       LYS  22   6.029  11.848  -6.090
  189   1HE   LYS  22          2HE       LYS  22   7.128  12.203  -8.229
  190   2HE   LYS  22          1HE       LYS  22   7.319  13.617  -7.193
  191   1HZ   LYS  22          1HZ       LYS  22   9.490  13.451  -7.514
  192   2HZ   LYS  22          2HZ       LYS  22   9.317  12.005  -8.373
  193   3HZ   LYS  22          3HZ       LYS  22   9.490  11.973  -6.691
  194    H    ASN  23           H        ASN  23   5.861  15.484  -2.020
  195    HA   ASN  23           HA       ASN  23   7.538  17.320  -3.520
  196   1HB   ASN  23          2HB       ASN  23   4.936  17.351  -3.321
  197   2HB   ASN  23          1HB       ASN  23   5.234  18.162  -1.787
  198   1HD2  ASN  23          1HD2      ASN  23   6.559  20.117  -1.860
  199   2HD2  ASN  23          2HD2      ASN  23   6.445  21.143  -3.245
  200    H    SER  24           H        SER  24   7.240  16.155  -0.334
  201    HA   SER  24           HA       SER  24   9.013  18.295   0.642
  202   1HB   SER  24          2HB       SER  24   7.345  16.817   2.608
  203   2HB   SER  24          1HB       SER  24   7.850  18.507   2.603
  204    HG   SER  24           HG       SER  24   6.320  18.525   0.642
  205    H    VAL  25           H        VAL  25   9.456  17.036   3.172
  206    HA   VAL  25           HA       VAL  25  10.407  14.374   2.819
  207    HB   VAL  25           HB       VAL  25  12.134  15.588   1.524
  208   1HG1  VAL  25          1HG1      VAL  25  11.916  17.540   3.405
  209   2HG1  VAL  25          2HG1      VAL  25  13.251  17.389   2.263
  210   3HG1  VAL  25          3HG1      VAL  25  13.411  16.744   3.896
  211   1HG2  VAL  25          1HG2      VAL  25  12.507  13.702   3.586
  212   2HG2  VAL  25          2HG2      VAL  25  13.877  14.811   3.649
  213   3HG2  VAL  25          3HG2      VAL  25  13.501  13.958   2.152
  214    H    GLY  26           H        GLY  26  10.807  13.407   4.767
  215   1HA   GLY  26          2HA       GLY  26  11.617  14.775   7.106
  216   2HA   GLY  26          1HA       GLY  26   9.870  14.594   7.109
  217    H    ARG  27           H        ARG  27   9.260  12.203   6.343
  218    HA   ARG  27           HA       ARG  27  11.032  10.138   7.205
  219   1HB   ARG  27          2HB       ARG  27   9.518   9.387   9.104
  220   2HB   ARG  27          1HB       ARG  27  10.527  10.791   9.418
  221   1HG   ARG  27          2HG       ARG  27   8.432  12.132   8.660
  222   2HG   ARG  27          1HG       ARG  27   7.575  10.632   9.023
  223   1HD   ARG  27          2HD       ARG  27   8.386  10.661  11.291
  224   2HD   ARG  27          1HD       ARG  27   9.404  12.060  10.949
  225    HE   ARG  27           HE       ARG  27   6.460  12.090  11.067
  226   1HH1  ARG  27          1HH1      ARG  27   9.542  13.712  11.215
  227   2HH1  ARG  27          2HH1      ARG  27   8.866  15.226  11.716
  228   1HH2  ARG  27          1HH2      ARG  27   5.562  14.080  11.732
  229   2HH2  ARG  27          2HH2      ARG  27   6.605  15.435  12.010
  230    H    TRP  28           H        TRP  28  10.101   8.009   7.004
  231    HA   TRP  28           HA       TRP  28   8.005   7.950   4.976
  232   1HB   TRP  28          2HB       TRP  28   9.936   5.864   6.002
  233   2HB   TRP  28          1HB       TRP  28   8.655   5.498   4.853
  234    HD1  TRP  28           HD       TRP  28  11.806   7.741   5.107
  235    HE1  TRP  28           1HE      TRP  28  12.765   8.028   2.736
  236    HE3  TRP  28           3HE      TRP  28   8.187   5.281   2.461
  237    HZ2  TRP  28           2HZ      TRP  28  12.080   7.308   0.095
  238    HZ3  TRP  28           3HZ      TRP  28   8.415   5.127   0.015
  239    HH2  TRP  28           HH       TRP  28  10.322   6.121  -1.142
  240    H    LYS  29           H        LYS  29   6.526   5.941   5.131
  241    HA   LYS  29           HA       LYS  29   5.646   5.491   7.900
  242   1HB   LYS  29          2HB       LYS  29   3.894   6.230   5.545
  243   2HB   LYS  29          1HB       LYS  29   3.276   5.606   7.068
  244   1HG   LYS  29          2HG       LYS  29   4.810   7.675   7.928
  245   2HG   LYS  29          1HG       LYS  29   4.233   8.285   6.376
  246   1HD   LYS  29          2HD       LYS  29   2.064   8.364   7.057
  247   2HD   LYS  29          1HD       LYS  29   2.242   6.982   8.141
  248   1HE   LYS  29          2HE       LYS  29   1.946   8.793   9.584
  249   2HE   LYS  29          1HE       LYS  29   3.691   8.543   9.571
  250   1HZ   LYS  29          1HZ       LYS  29   3.917  10.638   8.942
  251   2HZ   LYS  29          2HZ       LYS  29   2.241  10.846   8.856
  252   3HZ   LYS  29          3HZ       LYS  29   3.095  10.301   7.502
  253    H    GLU  30           H        GLU  30   5.373   3.357   8.321
  254    HA   GLU  30           HA       GLU  30   5.177   1.569   5.989
  255   1HB   GLU  30          2HB       GLU  30   6.304   0.447   8.470
  256   2HB   GLU  30          1HB       GLU  30   6.795   0.213   6.797
  257   1HG   GLU  30          2HG       GLU  30   8.292   1.897   6.857
  258   2HG   GLU  30          1HG       GLU  30   7.307   2.883   7.936
  259    H    ALA  31           H        ALA  31   3.593   0.173   5.891
  260    HA   ALA  31           HA       ALA  31   2.140  -0.599   8.314
  261   1HB   ALA  31          1HB       ALA  31   0.832   1.213   7.396
  262   2HB   ALA  31          2HB       ALA  31  -0.014  -0.310   7.120
  263   3HB   ALA  31          3HB       ALA  31   0.857   0.467   5.799
  264    H    THR  32           H        THR  32   2.393  -2.732   8.379
  265    HA   THR  32           HA       THR  32   2.634  -4.251   5.903
  266    HB   THR  32           HB       THR  32   2.878  -5.361   8.692
  267    HG1  THR  32           1HG      THR  32   4.325  -3.494   8.167
  268   1HG2  THR  32          1HG2      THR  32   3.858  -6.223   5.976
  269   2HG2  THR  32          2HG2      THR  32   2.735  -7.071   7.040
  270   3HG2  THR  32          3HG2      THR  32   4.437  -6.931   7.483
  271    H    ILE  33           H        ILE  33   1.126  -5.549   5.110
  272    HA   ILE  33           HA       ILE  33  -1.088  -6.407   6.824
  273    HB   ILE  33           HB       ILE  33  -1.471  -5.261   4.055
  274   1HG1  ILE  33          2HG1      ILE  33  -2.973  -3.716   5.705
  275   2HG1  ILE  33          1HG1      ILE  33  -1.616  -4.086   6.765
  276   1HG2  ILE  33          1HG2      ILE  33  -3.526  -6.122   4.054
  277   2HG2  ILE  33          2HG2      ILE  33  -3.827  -5.601   5.711
  278   3HG2  ILE  33          3HG2      ILE  33  -3.000  -7.128   5.404
  279   1HD1  ILE  33          1HD1      ILE  33  -0.145  -2.880   5.530
  280   2HD1  ILE  33          2HD1      ILE  33  -1.623  -1.987   5.169
  281   3HD1  ILE  33          3HD1      ILE  33  -1.003  -3.170   4.016
  282    HA   PRO  34           HA       PRO  34   0.494 -10.301   5.139
  283   1HB   PRO  34          2HB       PRO  34  -2.151 -11.057   6.319
  284   2HB   PRO  34          1HB       PRO  34  -0.593 -11.876   6.440
  285   1HG   PRO  34          2HG       PRO  34  -1.496 -10.414   8.460
  286   2HG   PRO  34          1HG       PRO  34   0.222 -10.387   8.021
  287   1HD   PRO  34          2HD       PRO  34  -1.880  -8.334   7.571
  288   2HD   PRO  34          1HD       PRO  34  -0.138  -8.130   7.837
  289    H    GLY  35           H        GLY  35   0.216  -9.716   2.923
  290   1HA   GLY  35          2HA       GLY  35  -0.840  -9.638   0.865
  291   2HA   GLY  35          1HA       GLY  35  -1.331 -11.252   1.350
  292    H    HIS  36           H        HIS  36  -2.382  -8.116   2.655
  293    HA   HIS  36           HA       HIS  36  -4.462  -7.225   2.935
  294   1HB   HIS  36          2HB       HIS  36  -4.070  -7.493   0.267
  295   2HB   HIS  36          1HB       HIS  36  -5.535  -8.450   0.462
  296    HD2  HIS  36           2HD      HIS  36  -7.197  -6.616   2.513
  297    HE1  HIS  36           1HE      HIS  36  -6.493  -3.532  -0.298
  298    HE2  HIS  36           2HE      HIS  36  -8.016  -4.348   1.558
  299    H    LEU  37           H        LEU  37  -4.174  -9.495   4.369
  300    HA   LEU  37           HA       LEU  37  -6.181 -11.441   3.859
  301   1HB   LEU  37          2HB       LEU  37  -5.592 -12.419   5.939
  302   2HB   LEU  37          1HB       LEU  37  -4.118 -11.861   5.182
  303    HG   LEU  37           HG       LEU  37  -3.833 -11.339   7.434
  304   1HD1  LEU  37          1HD1      LEU  37  -4.761  -8.932   5.918
  305   2HD1  LEU  37          2HD1      LEU  37  -3.121  -9.430   6.346
  306   3HD1  LEU  37          3HD1      LEU  37  -4.205  -8.801   7.588
  307   1HD2  LEU  37          1HD2      LEU  37  -6.162  -9.766   8.062
  308   2HD2  LEU  37          2HD2      LEU  37  -5.485 -11.163   8.898
  309   3HD2  LEU  37          3HD2      LEU  37  -6.612 -11.395   7.561
  310    H    ASN  38           H        ASN  38  -6.214  -8.364   5.435
  311    HA   ASN  38           HA       ASN  38  -9.035  -8.816   6.118
  312   1HB   ASN  38          2HB       ASN  38  -8.816  -7.666   8.219
  313   2HB   ASN  38          1HB       ASN  38  -7.610  -8.947   8.171
  314   1HD2  ASN  38          1HD2      ASN  38  -8.108  -5.490   7.796
  315   2HD2  ASN  38          2HD2      ASN  38  -6.486  -5.029   8.170
  316    H    SER  39           H        SER  39 -10.172  -6.690   6.570
  317    HA   SER  39           HA       SER  39  -9.687  -4.940   4.340
  318   1HB   SER  39          2HB       SER  39 -11.975  -5.361   4.790
  319   2HB   SER  39          1HB       SER  39 -11.783  -5.019   6.509
  320    HG   SER  39           HG       SER  39 -12.763  -3.322   5.140
  321    H    TYR  40           H        TYR  40  -8.030  -3.561   4.510
  322    HA   TYR  40           HA       TYR  40  -7.855  -1.937   6.956
  323   1HB   TYR  40          2HB       TYR  40  -5.518  -1.980   6.910
  324   2HB   TYR  40          1HB       TYR  40  -5.959  -3.626   6.484
  325    HD1  TYR  40           1HD      TYR  40  -5.530  -4.494   4.261
  326    HD2  TYR  40           2HD      TYR  40  -4.555  -0.470   5.253
  327    HE1  TYR  40           1HE      TYR  40  -4.166  -4.322   2.220
  328    HE2  TYR  40           2HE      TYR  40  -3.192  -0.288   3.218
  329    HH   TYR  40           HH       TYR  40  -1.977  -1.819   1.674
  330    H    THR  41           H        THR  41  -7.964   0.209   6.716
  331    HA   THR  41           HA       THR  41  -8.095   1.256   3.979
  332    HB   THR  41           HB       THR  41 -10.061   1.643   5.433
  333    HG1  THR  41           1HG      THR  41  -9.885   4.093   5.168
  334   1HG2  THR  41          1HG2      THR  41  -8.924   3.780   7.009
  335   2HG2  THR  41          2HG2      THR  41  -8.146   2.239   7.376
  336   3HG2  THR  41          3HG2      THR  41  -9.896   2.402   7.524
  337    H    ILE  42           H        ILE  42  -6.907   3.039   3.324
  338    HA   ILE  42           HA       ILE  42  -4.477   3.527   4.850
  339    HB   ILE  42           HB       ILE  42  -5.296   3.915   2.016
  340   1HG1  ILE  42          2HG1      ILE  42  -2.589   3.202   3.124
  341   2HG1  ILE  42          1HG1      ILE  42  -3.884   2.012   3.022
  342   1HG2  ILE  42          1HG2      ILE  42  -4.539   6.033   1.973
  343   2HG2  ILE  42          2HG2      ILE  42  -2.946   5.275   2.007
  344   3HG2  ILE  42          3HG2      ILE  42  -3.675   5.862   3.502
  345   1HD1  ILE  42          1HD1      ILE  42  -2.357   3.344   0.842
  346   2HD1  ILE  42          2HD1      ILE  42  -3.996   2.770   0.532
  347   3HD1  ILE  42          3HD1      ILE  42  -2.751   1.640   1.067
  348    H    LYS  43           H        LYS  43  -3.940   5.448   5.781
  349    HA   LYS  43           HA       LYS  43  -5.934   7.228   6.572
  350   1HB   LYS  43          2HB       LYS  43  -3.531   6.803   7.504
  351   2HB   LYS  43          1HB       LYS  43  -3.069   8.091   6.402
  352   1HG   LYS  43          2HG       LYS  43  -3.602   9.528   8.002
  353   2HG   LYS  43          1HG       LYS  43  -5.290   9.084   7.745
  354   1HD   LYS  43          2HD       LYS  43  -3.735   7.245   9.443
  355   2HD   LYS  43          1HD       LYS  43  -4.008   8.855  10.114
  356   1HE   LYS  43          2HE       LYS  43  -6.412   8.598   9.744
  357   2HE   LYS  43          1HE       LYS  43  -6.139   6.991   9.072
  358   1HZ   LYS  43          1HZ       LYS  43  -5.288   7.709  11.814
  359   2HZ   LYS  43          2HZ       LYS  43  -5.482   6.167  11.147
  360   3HZ   LYS  43          3HZ       LYS  43  -6.839   7.118  11.483
  361    H    GLY  44           H        GLY  44  -6.946   8.819   5.551
  362   1HA   GLY  44          2HA       GLY  44  -6.569   9.471   2.877
  363   2HA   GLY  44          1HA       GLY  44  -7.439  10.467   4.032
  364    H    LEU  45           H        LEU  45  -5.635  11.170   1.780
  365    HA   LEU  45           HA       LEU  45  -3.480  12.536   3.234
  366   1HB   LEU  45          2HB       LEU  45  -3.730  12.411   0.241
  367   2HB   LEU  45          1HB       LEU  45  -2.294  12.684   1.212
  368    HG   LEU  45           HG       LEU  45  -3.775  10.057   1.099
  369   1HD1  LEU  45          1HD1      LEU  45  -2.039  11.255  -0.821
  370   2HD1  LEU  45          2HD1      LEU  45  -2.805   9.666  -0.852
  371   3HD1  LEU  45          3HD1      LEU  45  -1.229   9.870  -0.088
  372   1HD2  LEU  45          1HD2      LEU  45  -1.978   9.141   2.295
  373   2HD2  LEU  45          2HD2      LEU  45  -2.355  10.648   3.131
  374   3HD2  LEU  45          3HD2      LEU  45  -0.970  10.566   2.041
  375    H    LYS  46           H        LYS  46  -2.909  14.742   2.173
  376    HA   LYS  46           HA       LYS  46  -5.349  16.318   2.201
  377   1HB   LYS  46          2HB       LYS  46  -3.575  16.983   3.739
  378   2HB   LYS  46          1HB       LYS  46  -2.461  17.170   2.391
  379   1HG   LYS  46          2HG       LYS  46  -4.048  18.915   1.487
  380   2HG   LYS  46          1HG       LYS  46  -4.868  18.840   3.048
  381   1HD   LYS  46          2HD       LYS  46  -3.374  20.259   3.880
  382   2HD   LYS  46          1HD       LYS  46  -2.098  19.081   3.563
  383   1HE   LYS  46          2HE       LYS  46  -1.468  21.087   2.463
  384   2HE   LYS  46          1HE       LYS  46  -2.009  19.966   1.213
  385   1HZ   LYS  46          1HZ       LYS  46  -3.809  21.222   0.738
  386   2HZ   LYS  46          2HZ       LYS  46  -2.840  22.465   1.349
  387   3HZ   LYS  46          3HZ       LYS  46  -4.020  21.755   2.331
  388    HA   PRO  47           HA       PRO  47  -5.284  16.670  -2.246
  389   1HB   PRO  47          2HB       PRO  47  -6.967  19.054  -1.724
  390   2HB   PRO  47          1HB       PRO  47  -7.305  17.635  -2.719
  391   1HG   PRO  47          2HG       PRO  47  -8.513  17.984  -0.365
  392   2HG   PRO  47          1HG       PRO  47  -8.017  16.371  -0.916
  393   1HD   PRO  47          2HD       PRO  47  -6.721  18.175   1.089
  394   2HD   PRO  47          1HD       PRO  47  -6.919  16.411   1.121
  395    H    GLY  48           H        GLY  48  -3.406  17.413  -3.051
  396   1HA   GLY  48          2HA       GLY  48  -2.591  19.505  -4.163
  397   2HA   GLY  48          1HA       GLY  48  -2.742  20.253  -2.581
  398    H    VAL  49           H        VAL  49  -1.751  17.274  -1.838
  399    HA   VAL  49           HA       VAL  49   1.102  17.989  -2.054
  400    HB   VAL  49           HB       VAL  49   0.215  16.126   0.082
  401   1HG1  VAL  49          1HG1      VAL  49   2.468  17.906  -0.517
  402   2HG1  VAL  49          2HG1      VAL  49   2.424  16.386   0.376
  403   3HG1  VAL  49          3HG1      VAL  49   1.967  17.890   1.173
  404   1HG2  VAL  49          1HG2      VAL  49  -1.436  17.721   0.501
  405   2HG2  VAL  49          2HG2      VAL  49  -0.384  19.064   0.053
  406   3HG2  VAL  49          3HG2      VAL  49  -0.111  18.196   1.564
  407    H    VAL  50           H        VAL  50   2.484  16.510  -2.864
  408    HA   VAL  50           HA       VAL  50   1.371  14.138  -4.074
  409    HB   VAL  50           HB       VAL  50   4.289  14.893  -4.000
  410   1HG1  VAL  50          1HG1      VAL  50   2.695  13.375  -6.060
  411   2HG1  VAL  50          2HG1      VAL  50   3.653  12.623  -4.784
  412   3HG1  VAL  50          3HG1      VAL  50   4.444  13.602  -6.020
  413   1HG2  VAL  50          1HG2      VAL  50   2.047  16.124  -5.490
  414   2HG2  VAL  50          2HG2      VAL  50   3.524  15.804  -6.398
  415   3HG2  VAL  50          3HG2      VAL  50   3.578  16.822  -4.959
  416    H    TYR  51           H        TYR  51   1.651  12.055  -3.445
  417    HA   TYR  51           HA       TYR  51   3.368  11.544  -1.112
  418   1HB   TYR  51          2HB       TYR  51   0.466  11.098  -1.401
  419   2HB   TYR  51          1HB       TYR  51   1.366   9.737  -0.740
  420    HD1  TYR  51           1HD      TYR  51   3.017  10.340   1.221
  421    HD2  TYR  51           2HD      TYR  51  -0.288  12.745   0.039
  422    HE1  TYR  51           1HE      TYR  51   3.006  11.404   3.439
  423    HE2  TYR  51           2HE      TYR  51  -0.308  13.815   2.253
  424    HH   TYR  51           HH       TYR  51   1.407  12.600   4.899
  425    H    GLU  52           H        GLU  52   4.972  10.503  -2.212
  426    HA   GLU  52           HA       GLU  52   4.306   8.404  -4.092
  427   1HB   GLU  52          2HB       GLU  52   6.573   8.382  -4.713
  428   2HB   GLU  52          1HB       GLU  52   6.218  10.074  -4.396
  429   1HG   GLU  52          2HG       GLU  52   7.507  10.133  -2.503
  430   2HG   GLU  52          1HG       GLU  52   7.342   8.404  -2.203
  431    H    GLY  53           H        GLY  53   4.347   6.289  -3.694
  432   1HA   GLY  53          2HA       GLY  53   5.639   5.326  -1.247
  433   2HA   GLY  53          1HA       GLY  53   3.930   4.994  -1.474
  434    H    GLN  54           H        GLN  54   6.048   3.103  -1.187
  435    HA   GLN  54           HA       GLN  54   5.801   1.720  -3.770
  436   1HB   GLN  54          2HB       GLN  54   8.082   0.677  -2.562
  437   2HB   GLN  54          1HB       GLN  54   8.032   1.766  -3.941
  438   1HG   GLN  54          2HG       GLN  54   8.129   3.680  -2.386
  439   2HG   GLN  54          1HG       GLN  54   8.286   2.544  -1.046
  440   1HE2  GLN  54          1HE2      GLN  54   9.787   3.541  -4.081
  441   2HE2  GLN  54          2HE2      GLN  54  11.406   3.161  -3.613
  442    H    LEU  55           H        LEU  55   5.091  -0.333  -3.684
  443    HA   LEU  55           HA       LEU  55   4.434  -1.397  -1.037
  444   1HB   LEU  55          2HB       LEU  55   2.726  -1.092  -2.940
  445   2HB   LEU  55          1HB       LEU  55   3.486  -2.494  -3.668
  446    HG   LEU  55           HG       LEU  55   2.983  -3.732  -1.508
  447   1HD1  LEU  55          1HD1      LEU  55   1.655  -1.130  -0.988
  448   2HD1  LEU  55          2HD1      LEU  55   2.474  -2.228   0.122
  449   3HD1  LEU  55          3HD1      LEU  55   0.847  -2.602  -0.448
  450   1HD2  LEU  55          1HD2      LEU  55   0.554  -2.751  -2.990
  451   2HD2  LEU  55          2HD2      LEU  55   0.796  -4.314  -2.208
  452   3HD2  LEU  55          3HD2      LEU  55   1.702  -3.909  -3.665
  453    H    ILE  56           H        ILE  56   6.014  -2.645  -0.234
  454    HA   ILE  56           HA       ILE  56   7.465  -4.414  -2.066
  455    HB   ILE  56           HB       ILE  56   8.153  -3.573   0.757
  456   1HG1  ILE  56          2HG1      ILE  56  10.243  -2.923  -0.937
  457   2HG1  ILE  56          1HG1      ILE  56   8.824  -2.601  -1.917
  458   1HG2  ILE  56          1HG2      ILE  56   9.980  -4.972   0.727
  459   2HG2  ILE  56          2HG2      ILE  56  10.002  -5.063  -1.034
  460   3HG2  ILE  56          3HG2      ILE  56   8.787  -5.960  -0.121
  461   1HD1  ILE  56          1HD1      ILE  56   9.963  -0.963   0.049
  462   2HD1  ILE  56          2HD1      ILE  56   8.416  -1.516   0.691
  463   3HD1  ILE  56          3HD1      ILE  56   8.481  -0.688  -0.865
  464    H    SER  57           H        SER  57   6.764  -6.407  -2.217
  465    HA   SER  57           HA       SER  57   5.110  -7.621  -0.204
  466   1HB   SER  57          2HB       SER  57   4.357  -8.726  -2.005
  467   2HB   SER  57          1HB       SER  57   5.600  -7.956  -2.994
  468    HG   SER  57           HG       SER  57   6.164 -10.000  -3.197
  469    H    ILE  58           H        ILE  58   5.985  -8.481   1.523
  470    HA   ILE  58           HA       ILE  58   8.664  -9.672   1.348
  471    HB   ILE  58           HB       ILE  58   7.170  -8.866   3.843
  472   1HG1  ILE  58          2HG1      ILE  58   9.505  -7.415   2.607
  473   2HG1  ILE  58          1HG1      ILE  58   7.843  -7.012   2.189
  474   1HG2  ILE  58          1HG2      ILE  58   8.800  -9.849   4.989
  475   2HG2  ILE  58          2HG2      ILE  58  10.030  -8.981   4.069
  476   3HG2  ILE  58          3HG2      ILE  58   9.402 -10.518   3.473
  477   1HD1  ILE  58          1HD1      ILE  58   7.658  -6.900   4.851
  478   2HD1  ILE  58          2HD1      ILE  58   8.126  -5.523   3.852
  479   3HD1  ILE  58          3HD1      ILE  58   9.362  -6.488   4.659
  480    H    GLN  59           H        GLN  59   8.929 -11.770   1.490
  481    HA   GLN  59           HA       GLN  59   6.701 -13.431   2.467
  482   1HB   GLN  59          2HB       GLN  59   8.184 -13.531   0.039
  483   2HB   GLN  59          1HB       GLN  59   8.582 -14.971   0.967
  484   1HG   GLN  59          2HG       GLN  59   6.150 -15.415   1.208
  485   2HG   GLN  59          1HG       GLN  59   5.846 -14.052   0.132
  486   1HE2  GLN  59          1HE2      GLN  59   7.767 -17.031   0.278
  487   2HE2  GLN  59          2HE2      GLN  59   7.529 -17.468  -1.376
  488    H    GLN  60           H        GLN  60   7.832 -15.795   2.913
  489    HA   GLN  60           HA       GLN  60   9.123 -15.485   5.382
  490   1HB   GLN  60          2HB       GLN  60   9.610 -17.972   5.120
  491   2HB   GLN  60          1HB       GLN  60   7.921 -17.486   5.056
  492   1HG   GLN  60          2HG       GLN  60   7.674 -18.166   2.940
  493   2HG   GLN  60          1HG       GLN  60   9.255 -17.557   2.453
  494   1HE2  GLN  60          1HE2      GLN  60   8.488 -19.875   1.405
  495   2HE2  GLN  60          2HE2      GLN  60   9.348 -21.200   2.105
  496    H    TYR  61           H        TYR  61  10.400 -15.062   2.318
  497    HA   TYR  61           HA       TYR  61  13.091 -15.931   3.079
  498   1HB   TYR  61          2HB       TYR  61  11.893 -15.056   0.452
  499   2HB   TYR  61          1HB       TYR  61  13.624 -15.287   0.673
  500    HD1  TYR  61           1HD      TYR  61  10.689 -16.825  -0.409
  501    HD2  TYR  61           2HD      TYR  61  14.240 -17.645   1.788
  502    HE1  TYR  61           1HE      TYR  61  10.423 -19.223  -0.885
  503    HE2  TYR  61           2HE      TYR  61  13.985 -20.044   1.317
  504    HH   TYR  61           HH       TYR  61  11.485 -21.236  -0.850
  505    H    GLY  62           H        GLY  62  11.213 -13.221   3.333
  506   1HA   GLY  62          2HA       GLY  62  11.708 -11.078   3.999
  507   2HA   GLY  62          1HA       GLY  62  13.386 -11.576   4.129
  508    H    HIS  63           H        HIS  63  11.137  -9.745   2.400
  509    HA   HIS  63           HA       HIS  63  11.285  -8.338   0.622
  510   1HB   HIS  63          2HB       HIS  63  14.265  -8.767   0.890
  511   2HB   HIS  63          1HB       HIS  63  13.478  -7.445   0.034
  512    HD2  HIS  63           2HD      HIS  63  11.948  -5.713   1.813
  513    HE1  HIS  63           1HE      HIS  63  14.433  -6.710   5.090
  514    HE2  HIS  63           2HE      HIS  63  12.569  -5.195   4.277
  515    H    GLN  64           H        GLN  64  10.653  -8.879  -1.365
  516    HA   GLN  64           HA       GLN  64  12.376 -10.419  -3.087
  517   1HB   GLN  64          2HB       GLN  64   9.964 -11.803  -3.406
  518   2HB   GLN  64          1HB       GLN  64  11.466 -12.423  -2.737
  519   1HG   GLN  64          2HG       GLN  64  10.146 -10.995  -0.682
  520   2HG   GLN  64          1HG       GLN  64   8.958 -12.046  -1.457
  521   1HE2  GLN  64          1HE2      GLN  64   9.961 -14.304  -1.962
  522   2HE2  GLN  64          2HE2      GLN  64  10.770 -15.046  -0.628
  523    H    GLU  65           H        GLU  65   9.622  -8.397  -2.574
  524    HA   GLU  65           HA       GLU  65   9.588  -7.795  -5.433
  525   1HB   GLU  65          2HB       GLU  65   7.635  -9.415  -4.233
  526   2HB   GLU  65          1HB       GLU  65   6.880  -7.841  -4.436
  527   1HG   GLU  65          2HG       GLU  65   7.995  -8.105  -6.856
  528   2HG   GLU  65          1HG       GLU  65   7.750  -9.804  -6.458
  529    H    VAL  66           H        VAL  66   9.778  -5.674  -5.672
  530    HA   VAL  66           HA       VAL  66   8.253  -3.961  -3.877
  531    HB   VAL  66           HB       VAL  66  10.163  -3.615  -2.801
  532   1HG1  VAL  66          1HG1      VAL  66  12.203  -4.292  -3.349
  533   2HG1  VAL  66          2HG1      VAL  66  12.092  -3.686  -5.004
  534   3HG1  VAL  66          3HG1      VAL  66  11.303  -5.203  -4.562
  535   1HG2  VAL  66          1HG2      VAL  66  10.734  -1.472  -3.159
  536   2HG2  VAL  66          2HG2      VAL  66   9.542  -1.555  -4.458
  537   3HG2  VAL  66          3HG2      VAL  66  11.254  -1.792  -4.815
  538    H    THR  67           H        THR  67   7.248  -2.313  -4.819
  539    HA   THR  67           HA       THR  67   8.083  -1.442  -7.492
  540    HB   THR  67           HB       THR  67   5.269  -2.251  -6.730
  541    HG1  THR  67           1HG      THR  67   7.004  -3.799  -7.560
  542   1HG2  THR  67          1HG2      THR  67   5.095  -1.670  -9.351
  543   2HG2  THR  67          2HG2      THR  67   6.297  -0.475  -8.862
  544   3HG2  THR  67          3HG2      THR  67   4.717  -0.509  -8.078
  545    H    ARG  68           H        ARG  68   8.127   0.720  -7.667
  546    HA   ARG  68           HA       ARG  68   6.987   2.289  -5.477
  547   1HB   ARG  68          2HB       ARG  68   8.532   3.735  -7.505
  548   2HB   ARG  68          1HB       ARG  68   8.682   3.746  -5.753
  549   1HG   ARG  68          2HG       ARG  68   9.864   1.569  -5.899
  550   2HG   ARG  68          1HG       ARG  68   9.808   1.716  -7.654
  551   1HD   ARG  68          2HD       ARG  68  11.139   3.643  -5.755
  552   2HD   ARG  68          1HD       ARG  68  11.962   2.456  -6.766
  553    HE   ARG  68           HE       ARG  68  10.294   4.343  -8.189
  554   1HH1  ARG  68          1HH1      ARG  68  13.483   3.592  -7.000
  555   2HH1  ARG  68          2HH1      ARG  68  14.286   4.648  -8.112
  556   1HH2  ARG  68          1HH2      ARG  68  11.345   5.730  -9.662
  557   2HH2  ARG  68          2HH2      ARG  68  13.072   5.863  -9.626
  558    H    PHE  69           H        PHE  69   5.673   4.055  -5.798
  559    HA   PHE  69           HA       PHE  69   4.680   4.732  -8.422
  560   1HB   PHE  69          2HB       PHE  69   2.278   4.289  -7.731
  561   2HB   PHE  69          1HB       PHE  69   3.249   2.869  -8.103
  562    HD1  PHE  69           1HD      PHE  69   1.686   4.820  -5.411
  563    HD2  PHE  69           2HD      PHE  69   3.779   1.256  -6.427
  564    HE1  PHE  69           1HE      PHE  69   1.119   3.865  -3.214
  565    HE2  PHE  69           2HE      PHE  69   3.218   0.295  -4.234
  566    HZ   PHE  69           HZ       PHE  69   1.885   1.597  -2.623
  567    H    ASP  70           H        ASP  70   3.200   6.556  -8.395
  568    HA   ASP  70           HA       ASP  70   3.512   8.191  -5.961
  569   1HB   ASP  70          2HB       ASP  70   3.426  10.169  -7.411
  570   2HB   ASP  70          1HB       ASP  70   4.738   9.099  -7.891
  571    H    PHE  71           H        PHE  71   1.692   8.784  -4.934
  572    HA   PHE  71           HA       PHE  71  -0.806   8.993  -6.421
  573   1HB   PHE  71          2HB       PHE  71  -1.936   7.295  -5.379
  574   2HB   PHE  71          1HB       PHE  71  -0.317   6.600  -5.382
  575    HD1  PHE  71           1HD      PHE  71  -3.120   7.362  -3.411
  576    HD2  PHE  71           2HD      PHE  71   1.131   7.151  -3.247
  577    HE1  PHE  71           1HE      PHE  71  -3.230   7.133  -0.965
  578    HE2  PHE  71           2HE      PHE  71   1.024   6.916  -0.800
  579    HZ   PHE  71           HZ       PHE  71  -1.157   6.909   0.344
  580    H    THR  72           H        THR  72  -2.569   9.908  -5.149
  581    HA   THR  72           HA       THR  72  -1.854  11.233  -2.669
  582    HB   THR  72           HB       THR  72  -2.119  13.423  -3.316
  583    HG1  THR  72           1HG      THR  72  -3.387  14.067  -5.071
  584   1HG2  THR  72          1HG2      THR  72  -0.178  13.137  -4.475
  585   2HG2  THR  72          2HG2      THR  72  -1.225  13.585  -5.822
  586   3HG2  THR  72          3HG2      THR  72  -0.856  11.887  -5.519
  587    H    THR  73           H        THR  73  -3.816  12.381  -1.746
  588    HA   THR  73           HA       THR  73  -5.929  10.640  -1.433
  589    HB   THR  73           HB       THR  73  -5.800  12.305   0.193
  590    HG1  THR  73           1HG      THR  73  -8.001  11.925  -0.690
  591   1HG2  THR  73          1HG2      THR  73  -5.464  14.144  -2.124
  592   2HG2  THR  73          2HG2      THR  73  -4.553  14.047  -0.618
  593   3HG2  THR  73          3HG2      THR  73  -6.151  14.793  -0.635
  594    H    THR  74           H        THR  74  -5.898  13.569  -3.469
  595    HA   THR  74           HA       THR  74  -7.412  12.331  -5.535
  596    HB   THR  74           HB       THR  74  -9.357  12.598  -4.247
  597    HG1  THR  74           1HG      THR  74  -9.197  13.796  -6.433
  598   1HG2  THR  74          1HG2      THR  74  -8.667  13.899  -2.410
  599   2HG2  THR  74          2HG2      THR  74  -9.909  14.864  -3.206
  600   3HG2  THR  74          3HG2      THR  74  -8.205  15.257  -3.437
  601    H    SER  75           H        SER  75  -5.395  13.207  -6.441
  602    HA   SER  75           HA       SER  75  -5.860  15.569  -7.907
  603   1HB   SER  75          2HB       SER  75  -4.877  16.093  -5.345
  604   2HB   SER  75          1HB       SER  75  -3.463  16.208  -6.393
  605    HG   SER  75           HG       SER  75  -5.557  17.906  -6.141
  606    H    THR  76           H        THR  76  -3.738  13.071  -6.777
  607    HA   THR  76           HA       THR  76  -1.998  11.949  -7.714
  608    HB   THR  76           HB       THR  76  -2.555  12.809 -10.478
  609    HG1  THR  76           1HG      THR  76  -4.547  11.607  -8.836
  610   1HG2  THR  76          1HG2      THR  76  -1.729  10.775 -10.867
  611   2HG2  THR  76          2HG2      THR  76  -2.994  10.029  -9.889
  612   3HG2  THR  76          3HG2      THR  76  -1.500  10.579  -9.129
  613    H    SER  77           H        SER  77  -0.337  12.360  -9.835
  614    HA   SER  77           HA       SER  77   0.657  15.103  -9.629
  615   1HB   SER  77          2HB       SER  77   1.755  13.104  -8.071
  616   2HB   SER  77          1HB       SER  77   2.823  13.141  -9.474
  617    HG   SER  77           HG       SER  77   2.682  15.569  -9.039
  618    H    THR  78           H        THR  78   2.214  15.659 -11.275
  619    HA   THR  78           HA       THR  78   1.944  13.962 -13.662
  620    HB   THR  78           HB       THR  78   2.820  16.676 -14.220
  621    HG1  THR  78           1HG      THR  78   0.335  17.179 -13.743
  622   1HG2  THR  78          1HG2      THR  78   1.548  14.670 -15.552
  623   2HG2  THR  78          2HG2      THR  78   1.590  16.352 -16.081
  624   3HG2  THR  78          3HG2      THR  78   0.202  15.746 -15.177
  625    HA   PRO  79           HA       PRO  79   6.525  15.217 -13.735
  626   1HB   PRO  79          2HB       PRO  79   7.569  16.958 -12.007
  627   2HB   PRO  79          1HB       PRO  79   6.600  17.511 -13.379
  628   1HG   PRO  79          2HG       PRO  79   5.836  17.241 -10.505
  629   2HG   PRO  79          1HG       PRO  79   5.401  18.505 -11.668
  630   1HD   PRO  79          2HD       PRO  79   3.794  16.347 -10.953
  631   2HD   PRO  79          1HD       PRO  79   3.594  17.338 -12.410
  632    H    GLY  80           H        GLY  80   8.512  14.500 -12.694
  633   1HA   GLY  80          2HA       GLY  80   9.034  13.848 -10.128
  634   2HA   GLY  80          1HA       GLY  80   7.973  12.542 -10.631
  635    H    SER  81           H        SER  81   9.886  11.224 -10.101
  636    HA   SER  81           HA       SER  81  12.248  11.401 -11.672
  637   1HB   SER  81          2HB       SER  81  12.781   9.180 -10.721
  638   2HB   SER  81          1HB       SER  81  12.271  10.325  -9.480
  639    HG   SER  81           HG       SER  81  11.300   7.995  -9.775
  640    H    ARG  82           H        ARG  82   9.179  10.525 -12.528
  641    HA   ARG  82           HA       ARG  82   9.522   8.234 -14.104
  642   1HB   ARG  82          2HB       ARG  82   7.632  10.493 -14.755
  643   2HB   ARG  82          1HB       ARG  82   7.443   8.785 -15.129
  644   1HG   ARG  82          2HG       ARG  82   7.481   8.490 -12.547
  645   2HG   ARG  82          1HG       ARG  82   7.071  10.206 -12.534
  646   1HD   ARG  82          2HD       ARG  82   5.515   7.899 -13.647
  647   2HD   ARG  82          1HD       ARG  82   5.000   9.130 -12.496
  648    HE   ARG  82           HE       ARG  82   5.519  10.536 -14.764
  649   1HH1  ARG  82          1HH1      ARG  82   3.529   7.771 -14.023
  650   2HH1  ARG  82          2HH1      ARG  82   2.353   8.130 -15.243
  651   1HH2  ARG  82          1HH2      ARG  82   3.971  11.016 -16.369
  652   2HH2  ARG  82          2HH2      ARG  82   2.603   9.975 -16.575
  653    H    SER  83           H        SER  83  11.172   8.119 -15.522
  654    HA   SER  83           HA       SER  83  11.956  10.366 -17.140
  655   1HB   SER  83          2HB       SER  83  13.618   8.814 -18.094
  656   2HB   SER  83          1HB       SER  83  13.640   8.775 -16.332
  657    HG   SER  83           HG       SER  83  13.523   6.689 -16.745
  658    H    HIS  84           H        HIS  84  12.548   9.286 -19.582
  659    HA   HIS  84           HA       HIS  84   9.896   9.104 -20.761
  660   1HB   HIS  84          2HB       HIS  84  12.259  10.341 -21.541
  661   2HB   HIS  84          1HB       HIS  84  12.124   8.964 -22.631
  662    HD2  HIS  84           2HD      HIS  84  11.492  10.588 -24.786
  663    HE1  HIS  84           1HE      HIS  84   7.794  11.886 -23.187
  664    HE2  HIS  84           2HE      HIS  84   9.196  11.685 -25.290
  665    H    HIS  85           H        HIS  85   9.514   6.939 -19.906
  666    HA   HIS  85           HA       HIS  85  11.086   4.738 -20.855
  667   1HB   HIS  85          2HB       HIS  85   8.626   5.074 -19.220
  668   2HB   HIS  85          1HB       HIS  85   8.846   3.525 -20.028
  669    HD2  HIS  85           2HD      HIS  85  11.520   2.385 -19.396
  670    HE1  HIS  85           1HE      HIS  85  11.354   4.137 -15.547
  671    HE2  HIS  85           2HE      HIS  85  12.377   2.289 -16.949
  672    H    HIS  86           H        HIS  86  10.570   3.235 -22.434
  673    HA   HIS  86           HA       HIS  86   8.159   3.414 -23.973
  674   1HB   HIS  86          2HB       HIS  86  10.388   5.016 -24.774
  675   2HB   HIS  86          1HB       HIS  86  10.165   3.736 -25.961
  676    HD2  HIS  86           2HD      HIS  86   9.323   7.095 -26.134
  677    HE1  HIS  86           1HE      HIS  86   5.568   5.298 -26.898
  678    HE2  HIS  86           2HE      HIS  86   6.873   7.473 -26.897
  679    H    HIS  87           H        HIS  87   8.386   1.957 -26.000
  680    HA   HIS  87           HA       HIS  87   9.803  -0.470 -25.148
  681   1HB   HIS  87          2HB       HIS  87   7.538  -0.186 -27.134
  682   2HB   HIS  87          1HB       HIS  87   8.233  -1.698 -26.558
  683    HD2  HIS  87           2HD      HIS  87   5.264   0.383 -25.881
  684    HE1  HIS  87           1HE      HIS  87   6.137  -1.541 -22.213
  685    HE2  HIS  87           2HE      HIS  87   4.351  -0.357 -23.568
  686    H    HIS  88           H        HIS  88  10.381   2.061 -27.054
  687    HA   HIS  88           HA       HIS  88  11.105   0.903 -29.538
  688   1HB   HIS  88          2HB       HIS  88  11.665   3.497 -28.159
  689   2HB   HIS  88          1HB       HIS  88  12.633   3.061 -29.563
  690    HD2  HIS  88           2HD      HIS  88  10.413   5.546 -29.552
  691    HE1  HIS  88           1HE      HIS  88   8.389   2.968 -32.232
  692    HE2  HIS  88           2HE      HIS  88   8.478   5.310 -31.265
  693    H    HIS  89           H        HIS  89  13.506   1.220 -30.291
  694    HA   HIS  89           HA       HIS  89  15.598   0.331 -30.274
  695   1HB   HIS  89          2HB       HIS  89  15.377   2.014 -28.037
  696   2HB   HIS  89          1HB       HIS  89  16.192   0.568 -27.453
  697    HD2  HIS  89           2HD      HIS  89  17.847   0.183 -30.414
  698    HE1  HIS  89           1HE      HIS  89  19.624   3.784 -29.074
  699    HE2  HIS  89           2HE      HIS  89  19.760   1.900 -30.764
  Start of MODEL   29
    1   1H    MET   1          1HT       MET   1   5.376 -10.917 -11.693
    2   2H    MET   1          2HT       MET   1   4.780 -11.424 -13.193
    3   3H    MET   1          3HT       MET   1   4.650  -9.801 -12.738
    4    HA   MET   1           HA       MET   1   7.177  -9.814 -12.603
    5   1HB   MET   1          2HB       MET   1   7.078 -12.385 -12.813
    6   2HB   MET   1          1HB       MET   1   6.834 -12.102 -14.531
    7   1HG   MET   1          2HG       MET   1   9.184 -12.566 -13.896
    8   2HG   MET   1          1HG       MET   1   8.952 -11.033 -14.735
    9   1HE   MET   1          1HE       MET   1  10.344 -11.971 -10.593
   10   2HE   MET   1          2HE       MET   1  11.479 -12.036 -11.941
   11   3HE   MET   1          3HE       MET   1  10.004 -13.002 -11.984
   12    H    ARG   2           H        ARG   2   4.920 -10.711 -15.196
   13    HA   ARG   2           HA       ARG   2   5.859  -8.360 -16.703
   14   1HB   ARG   2          2HB       ARG   2   5.315 -11.150 -17.610
   15   2HB   ARG   2          1HB       ARG   2   4.944  -9.831 -18.711
   16   1HG   ARG   2          2HG       ARG   2   7.634 -10.199 -17.416
   17   2HG   ARG   2          1HG       ARG   2   7.206 -10.862 -18.993
   18   1HD   ARG   2          2HD       ARG   2   6.513  -8.424 -19.545
   19   2HD   ARG   2          1HD       ARG   2   7.523  -8.006 -18.162
   20    HE   ARG   2           HE       ARG   2   9.370  -9.132 -19.362
   21   1HH1  ARG   2          1HH1      ARG   2   6.596  -8.011 -21.149
   22   2HH1  ARG   2          2HH1      ARG   2   7.460  -7.855 -22.643
   23   1HH2  ARG   2          1HH2      ARG   2  10.515  -8.928 -21.324
   24   2HH2  ARG   2          2HH2      ARG   2   9.688  -8.376 -22.742
   25    H    GLY   3           H        GLY   3   3.356  -9.628 -15.002
   26   1HA   GLY   3          2HA       GLY   3   1.511  -7.652 -15.824
   27   2HA   GLY   3          1HA       GLY   3   1.074  -9.192 -16.548
   28    H    SER   4           H        SER   4  -0.819  -8.290 -15.037
   29    HA   SER   4           HA       SER   4  -0.639  -9.894 -12.583
   30   1HB   SER   4          2HB       SER   4  -2.152  -7.305 -12.536
   31   2HB   SER   4          1HB       SER   4  -1.463  -8.218 -11.195
   32    HG   SER   4           HG       SER   4   0.379  -7.320 -13.031
   33    H    ASN   5           H        ASN   5  -1.830 -11.498 -13.707
   34    HA   ASN   5           HA       ASN   5  -4.697 -10.904 -13.832
   35   1HB   ASN   5          2HB       ASN   5  -4.174 -10.759 -16.118
   36   2HB   ASN   5          1HB       ASN   5  -3.018 -12.084 -16.032
   37   1HD2  ASN   5          1HD2      ASN   5  -6.368 -11.793 -14.921
   38   2HD2  ASN   5          2HD2      ASN   5  -6.966 -13.135 -15.830
   39    H    ALA   6           H        ALA   6  -2.173 -13.393 -13.846
   40    HA   ALA   6           HA       ALA   6  -3.788 -15.617 -13.342
   41   1HB   ALA   6          1HB       ALA   6  -1.082 -15.490 -12.116
   42   2HB   ALA   6          2HB       ALA   6  -1.214 -15.365 -13.871
   43   3HB   ALA   6          3HB       ALA   6  -1.848 -16.785 -13.037
   44    HA   PRO   7           HA       PRO   7  -5.291 -14.949  -9.220
   45   1HB   PRO   7          2HB       PRO   7  -5.192 -17.899  -8.973
   46   2HB   PRO   7          1HB       PRO   7  -6.563 -16.801  -8.788
   47   1HG   PRO   7          2HG       PRO   7  -6.331 -18.365 -10.939
   48   2HG   PRO   7          1HG       PRO   7  -6.972 -16.716 -11.066
   49   1HD   PRO   7          2HD       PRO   7  -4.256 -17.757 -11.768
   50   2HD   PRO   7          1HD       PRO   7  -5.260 -16.564 -12.616
   51    H    GLN   8           H        GLN   8  -4.850 -15.926  -6.942
   52    HA   GLN   8           HA       GLN   8  -1.933 -16.219  -6.655
   53   1HB   GLN   8          2HB       GLN   8  -3.924 -14.586  -5.244
   54   2HB   GLN   8          1HB       GLN   8  -2.820 -15.447  -4.179
   55   1HG   GLN   8          2HG       GLN   8  -0.929 -14.477  -5.485
   56   2HG   GLN   8          1HG       GLN   8  -2.107 -13.495  -6.352
   57   1HE2  GLN   8          1HE2      GLN   8  -1.809 -11.494  -5.656
   58   2HE2  GLN   8          2HE2      GLN   8  -1.764 -10.997  -4.002
   59    HA   PRO   9           HA       PRO   9  -3.501 -20.325  -5.319
   60   1HB   PRO   9          2HB       PRO   9  -0.622 -20.945  -5.619
   61   2HB   PRO   9          1HB       PRO   9  -2.026 -21.772  -6.299
   62   1HG   PRO   9          2HG       PRO   9  -0.423 -20.284  -7.832
   63   2HG   PRO   9          1HG       PRO   9  -2.176 -20.324  -8.098
   64   1HD   PRO   9          2HD       PRO   9  -0.507 -18.229  -6.757
   65   2HD   PRO   9          1HD       PRO   9  -1.884 -18.036  -7.862
   66    H    SER  10           H        SER  10  -0.988 -18.247  -4.158
   67    HA   SER  10           HA       SER  10  -1.397 -19.238  -1.451
   68   1HB   SER  10          2HB       SER  10   0.919 -19.586  -0.972
   69   2HB   SER  10          1HB       SER  10   0.577 -20.475  -2.456
   70    HG   SER  10           HG       SER  10   1.418 -18.622  -3.594
   71    H    HIS  11           H        HIS  11  -1.274 -17.653   0.064
   72    HA   HIS  11           HA       HIS  11  -1.039 -14.939  -0.906
   73   1HB   HIS  11          2HB       HIS  11  -1.440 -15.619   1.983
   74   2HB   HIS  11          1HB       HIS  11  -2.094 -14.274   1.054
   75    HD2  HIS  11           2HD      HIS  11  -3.896 -15.529  -1.122
   76    HE1  HIS  11           1HE      HIS  11  -5.381 -18.110   1.884
   77    HE2  HIS  11           2HE      HIS  11  -5.867 -17.032  -0.359
   78    H    ILE  12           H        ILE  12   0.403 -13.387  -0.171
   79    HA   ILE  12           HA       ILE  12   3.048 -14.268   0.358
   80    HB   ILE  12           HB       ILE  12   1.940 -11.958  -0.611
   81   1HG1  ILE  12          2HG1      ILE  12   4.181 -12.792  -1.132
   82   2HG1  ILE  12          1HG1      ILE  12   4.207 -11.074  -0.742
   83   1HG2  ILE  12          1HG2      ILE  12   1.332 -10.991   1.447
   84   2HG2  ILE  12          2HG2      ILE  12   2.788 -10.149   0.918
   85   3HG2  ILE  12          3HG2      ILE  12   2.890 -11.380   2.174
   86   1HD1  ILE  12          1HD1      ILE  12   5.982 -11.704   0.473
   87   2HD1  ILE  12          2HD1      ILE  12   5.401 -13.355   0.678
   88   3HD1  ILE  12          3HD1      ILE  12   4.735 -12.056   1.669
   89    H    SER  13           H        SER  13   4.271 -14.163   2.256
   90    HA   SER  13           HA       SER  13   3.081 -14.731   4.676
   91   1HB   SER  13          2HB       SER  13   5.759 -14.018   3.767
   92   2HB   SER  13          1HB       SER  13   5.433 -13.414   5.392
   93    HG   SER  13           HG       SER  13   4.557 -15.964   5.061
   94    H    LYS  14           H        LYS  14   4.478 -11.605   3.692
   95    HA   LYS  14           HA       LYS  14   2.315 -10.163   4.925
   96   1HB   LYS  14          2HB       LYS  14   4.587  -8.896   6.028
   97   2HB   LYS  14          1HB       LYS  14   3.257  -9.664   6.877
   98   1HG   LYS  14          2HG       LYS  14   4.488 -11.828   6.690
   99   2HG   LYS  14          1HG       LYS  14   5.856 -10.924   6.037
  100   1HD   LYS  14          2HD       LYS  14   4.621 -10.105   8.636
  101   2HD   LYS  14          1HD       LYS  14   5.754 -11.457   8.584
  102   1HE   LYS  14          2HE       LYS  14   7.458 -10.041   7.621
  103   2HE   LYS  14          1HE       LYS  14   6.327  -8.693   7.524
  104   1HZ   LYS  14          1HZ       LYS  14   6.457  -9.705  10.169
  105   2HZ   LYS  14          2HZ       LYS  14   6.781  -8.142   9.608
  106   3HZ   LYS  14          3HZ       LYS  14   8.007  -9.307   9.621
  107    H    TYR  15           H        TYR  15   2.124  -8.083   4.182
  108    HA   TYR  15           HA       TYR  15   3.986  -7.307   2.038
  109   1HB   TYR  15          2HB       TYR  15   1.039  -6.942   2.432
  110   2HB   TYR  15          1HB       TYR  15   1.922  -5.747   1.491
  111    HD1  TYR  15           1HD      TYR  15  -0.241  -8.165   0.953
  112    HD2  TYR  15           2HD      TYR  15   3.819  -7.356  -0.033
  113    HE1  TYR  15           1HE      TYR  15  -0.446  -9.590  -1.042
  114    HE2  TYR  15           2HE      TYR  15   3.623  -8.779  -2.029
  115    HH   TYR  15           HH       TYR  15   2.089 -10.796  -2.711
  116    H    ILE  16           H        ILE  16   5.002  -5.323   2.150
  117    HA   ILE  16           HA       ILE  16   4.374  -3.700   4.518
  118    HB   ILE  16           HB       ILE  16   6.906  -4.645   3.426
  119   1HG1  ILE  16          2HG1      ILE  16   5.898  -4.894   5.767
  120   2HG1  ILE  16          1HG1      ILE  16   7.603  -4.478   5.669
  121   1HG2  ILE  16          1HG2      ILE  16   7.322  -2.524   2.537
  122   2HG2  ILE  16          2HG2      ILE  16   8.116  -2.502   4.113
  123   3HG2  ILE  16          3HG2      ILE  16   6.558  -1.702   3.897
  124   1HD1  ILE  16          1HD1      ILE  16   7.126  -2.183   6.196
  125   2HD1  ILE  16          2HD1      ILE  16   6.364  -3.222   7.402
  126   3HD1  ILE  16          3HD1      ILE  16   5.391  -2.489   6.126
  127    H    LEU  17           H        LEU  17   3.750  -1.686   4.260
  128    HA   LEU  17           HA       LEU  17   3.915  -0.504   1.571
  129   1HB   LEU  17          2HB       LEU  17   1.679  -0.973   3.046
  130   2HB   LEU  17          1HB       LEU  17   2.060   0.664   3.542
  131    HG   LEU  17           HG       LEU  17   2.164   0.316   0.647
  132   1HD1  LEU  17          1HD1      LEU  17  -0.055  -0.154   0.185
  133   2HD1  LEU  17          2HD1      LEU  17  -0.577   0.177   1.838
  134   3HD1  LEU  17          3HD1      LEU  17   0.322  -1.297   1.475
  135   1HD2  LEU  17          1HD2      LEU  17   1.340   2.264   2.659
  136   2HD2  LEU  17          2HD2      LEU  17   0.284   2.213   1.248
  137   3HD2  LEU  17          3HD2      LEU  17   2.010   2.511   1.047
  138    H    ARG  18           H        ARG  18   5.441   0.991   1.414
  139    HA   ARG  18           HA       ARG  18   5.910   2.741   3.730
  140   1HB   ARG  18          2HB       ARG  18   8.257   2.708   2.167
  141   2HB   ARG  18          1HB       ARG  18   8.031   2.064   3.787
  142   1HG   ARG  18          2HG       ARG  18   7.062   0.002   2.506
  143   2HG   ARG  18          1HG       ARG  18   8.013   0.653   1.168
  144   1HD   ARG  18          2HD       ARG  18   9.236  -1.030   2.496
  145   2HD   ARG  18          1HD       ARG  18  10.025   0.549   2.494
  146    HE   ARG  18           HE       ARG  18   8.339   0.352   4.737
  147   1HH1  ARG  18          1HH1      ARG  18  11.321  -0.955   3.497
  148   2HH1  ARG  18          2HH1      ARG  18  12.000  -1.236   5.066
  149   1HH2  ARG  18          1HH2      ARG  18   9.220  -0.015   6.802
  150   2HH2  ARG  18          2HH2      ARG  18  10.805  -0.700   6.946
  151    H    TRP  19           H        TRP  19   5.735   4.861   3.371
  152    HA   TRP  19           HA       TRP  19   6.189   5.935   0.709
  153   1HB   TRP  19          2HB       TRP  19   4.038   6.855   0.372
  154   2HB   TRP  19          1HB       TRP  19   3.760   5.185   0.854
  155    HD1  TRP  19           HD       TRP  19   3.014   8.729   1.851
  156    HE1  TRP  19           1HE      TRP  19   1.532   8.739   3.959
  157    HE3  TRP  19           3HE      TRP  19   3.350   3.785   3.105
  158    HZ2  TRP  19           2HZ      TRP  19   0.624   6.893   5.895
  159    HZ3  TRP  19           3HZ      TRP  19   2.146   2.987   5.098
  160    HH2  TRP  19           HH       TRP  19   0.813   4.511   6.463
  161    H    ARG  20           H        ARG  20   6.144   8.284   0.645
  162    HA   ARG  20           HA       ARG  20   6.119   9.775   3.102
  163   1HB   ARG  20          2HB       ARG  20   8.470  10.532   2.924
  164   2HB   ARG  20          1HB       ARG  20   8.343   8.814   3.272
  165   1HG   ARG  20          2HG       ARG  20   9.258   8.206   1.303
  166   2HG   ARG  20          1HG       ARG  20   8.524   9.548   0.423
  167   1HD   ARG  20          2HD       ARG  20  10.156  11.071   1.537
  168   2HD   ARG  20          1HD       ARG  20  10.944   9.647   2.215
  169    HE   ARG  20           HE       ARG  20  11.314   8.959  -0.162
  170   1HH1  ARG  20          1HH1      ARG  20  10.897  12.312   0.698
  171   2HH1  ARG  20          2HH1      ARG  20  11.783  12.904  -0.668
  172   1HH2  ARG  20          1HH2      ARG  20  12.488   9.733  -1.958
  173   2HH2  ARG  20          2HH2      ARG  20  12.685  11.441  -2.176
  174    HA   PRO  21           HA       PRO  21   5.083  13.143   0.450
  175   1HB   PRO  21          2HB       PRO  21   6.765  15.163   1.342
  176   2HB   PRO  21          1HB       PRO  21   5.214  14.736   2.068
  177   1HG   PRO  21          2HG       PRO  21   7.973  13.977   2.909
  178   2HG   PRO  21          1HG       PRO  21   6.564  14.380   3.905
  179   1HD   PRO  21          2HD       PRO  21   7.373  11.840   3.556
  180   2HD   PRO  21          1HD       PRO  21   5.652  12.262   3.694
  181    H    LYS  22           H        LYS  22   5.679  12.821  -1.600
  182    HA   LYS  22           HA       LYS  22   8.297  12.427  -2.523
  183   1HB   LYS  22          2HB       LYS  22   6.044  11.851  -3.636
  184   2HB   LYS  22          1HB       LYS  22   6.083  13.499  -4.248
  185   1HG   LYS  22          2HG       LYS  22   8.568  12.604  -4.915
  186   2HG   LYS  22          1HG       LYS  22   7.591  11.143  -5.087
  187   1HD   LYS  22          2HD       LYS  22   6.337  13.532  -6.208
  188   2HD   LYS  22          1HD       LYS  22   7.867  13.107  -6.979
  189   1HE   LYS  22          2HE       LYS  22   7.076  10.916  -7.505
  190   2HE   LYS  22          1HE       LYS  22   5.629  11.145  -6.524
  191   1HZ   LYS  22          1HZ       LYS  22   5.762  11.543  -9.182
  192   2HZ   LYS  22          2HZ       LYS  22   5.975  13.117  -8.601
  193   3HZ   LYS  22          3HZ       LYS  22   4.600  12.234  -8.166
  194    H    ASN  23           H        ASN  23   6.233  15.330  -2.650
  195    HA   ASN  23           HA       ASN  23   8.502  16.884  -3.633
  196   1HB   ASN  23          2HB       ASN  23   5.649  17.038  -3.925
  197   2HB   ASN  23          1HB       ASN  23   6.258  18.557  -3.277
  198   1HD2  ASN  23          1HD2      ASN  23   5.240  17.519  -5.979
  199   2HD2  ASN  23          2HD2      ASN  23   6.394  18.146  -7.102
  200    H    SER  24           H        SER  24   6.335  16.720  -0.843
  201    HA   SER  24           HA       SER  24   7.587  18.995   0.419
  202   1HB   SER  24          2HB       SER  24   5.108  17.902   0.628
  203   2HB   SER  24          1HB       SER  24   5.893  17.276   2.072
  204    HG   SER  24           HG       SER  24   6.254  19.324   2.777
  205    H    VAL  25           H        VAL  25   7.976  18.576   2.922
  206    HA   VAL  25           HA       VAL  25  10.119  16.581   3.034
  207    HB   VAL  25           HB       VAL  25  10.803  18.842   3.577
  208   1HG1  VAL  25          1HG1      VAL  25   9.886  19.957   5.618
  209   2HG1  VAL  25          2HG1      VAL  25   8.620  18.730   5.649
  210   3HG1  VAL  25          3HG1      VAL  25   8.748  19.831   4.277
  211   1HG2  VAL  25          1HG2      VAL  25  10.756  17.622   6.280
  212   2HG2  VAL  25          2HG2      VAL  25  12.101  18.303   5.366
  213   3HG2  VAL  25          3HG2      VAL  25  11.494  16.694   4.974
  214    H    GLY  26           H        GLY  26  10.226  15.024   4.631
  215   1HA   GLY  26          2HA       GLY  26   8.648  14.859   6.925
  216   2HA   GLY  26          1HA       GLY  26   7.782  14.030   5.639
  217    H    ARG  27           H        ARG  27   8.003  12.055   6.801
  218    HA   ARG  27           HA       ARG  27  10.638  10.828   6.400
  219   1HB   ARG  27          2HB       ARG  27   8.973  10.351   8.871
  220   2HB   ARG  27          1HB       ARG  27  10.594   9.755   8.544
  221   1HG   ARG  27          2HG       ARG  27  11.569  11.833   8.894
  222   2HG   ARG  27          1HG       ARG  27  10.044  12.692   8.661
  223   1HD   ARG  27          2HD       ARG  27   9.280  12.181  10.777
  224   2HD   ARG  27          1HD       ARG  27  10.307  10.755  10.917
  225    HE   ARG  27           HE       ARG  27  11.420  13.482  10.999
  226   1HH1  ARG  27          1HH1      ARG  27  11.083  10.278  12.336
  227   2HH1  ARG  27          2HH1      ARG  27  12.244  10.543  13.593
  228   1HH2  ARG  27          1HH2      ARG  27  12.946  13.836  12.650
  229   2HH2  ARG  27          2HH2      ARG  27  13.301  12.565  13.772
  230    H    TRP  28           H        TRP  28  10.556   8.442   6.441
  231    HA   TRP  28           HA       TRP  28   8.517   7.482   4.732
  232   1HB   TRP  28          2HB       TRP  28  10.783   6.190   6.219
  233   2HB   TRP  28          1HB       TRP  28   9.602   5.203   5.365
  234    HD1  TRP  28           HD       TRP  28  12.771   7.017   4.832
  235    HE1  TRP  28           1HE      TRP  28  13.334   7.138   2.324
  236    HE3  TRP  28           3HE      TRP  28   8.266   5.544   2.913
  237    HZ2  TRP  28           2HZ      TRP  28  12.042   6.670  -0.142
  238    HZ3  TRP  28           3HZ      TRP  28   8.013   5.407   0.469
  239    HH2  TRP  28           HH       TRP  28   9.863   5.959  -1.026
  240    H    LYS  29           H        LYS  29   7.056   5.707   5.138
  241    HA   LYS  29           HA       LYS  29   6.251   5.397   7.947
  242   1HB   LYS  29          2HB       LYS  29   4.275   5.702   5.682
  243   2HB   LYS  29          1HB       LYS  29   3.931   5.655   7.405
  244   1HG   LYS  29          2HG       LYS  29   5.743   7.793   6.889
  245   2HG   LYS  29          1HG       LYS  29   4.379   7.907   5.774
  246   1HD   LYS  29          2HD       LYS  29   2.813   7.913   7.579
  247   2HD   LYS  29          1HD       LYS  29   4.078   7.533   8.748
  248   1HE   LYS  29          2HE       LYS  29   5.153   9.743   7.919
  249   2HE   LYS  29          1HE       LYS  29   3.537  10.101   7.310
  250   1HZ   LYS  29          1HZ       LYS  29   3.535  11.015   9.419
  251   2HZ   LYS  29          2HZ       LYS  29   4.422   9.747  10.100
  252   3HZ   LYS  29          3HZ       LYS  29   2.801   9.513   9.681
  253    H    GLU  30           H        GLU  30   5.731   3.319   8.508
  254    HA   GLU  30           HA       GLU  30   5.722   1.344   6.315
  255   1HB   GLU  30          2HB       GLU  30   6.552   0.506   9.042
  256   2HB   GLU  30          1HB       GLU  30   7.119  -0.047   7.473
  257   1HG   GLU  30          2HG       GLU  30   8.957   1.122   7.906
  258   2HG   GLU  30          1HG       GLU  30   7.990   2.549   7.536
  259    H    ALA  31           H        ALA  31   4.017   0.088   6.141
  260    HA   ALA  31           HA       ALA  31   2.377  -0.542   8.481
  261   1HB   ALA  31          1HB       ALA  31   1.595   1.319   6.479
  262   2HB   ALA  31          2HB       ALA  31   0.662   0.726   7.852
  263   3HB   ALA  31          3HB       ALA  31   0.594  -0.124   6.308
  264    H    THR  32           H        THR  32   2.457  -2.712   8.539
  265    HA   THR  32           HA       THR  32   2.700  -4.213   6.057
  266    HB   THR  32           HB       THR  32   2.526  -5.671   8.632
  267    HG1  THR  32           1HG      THR  32   5.049  -4.710   8.223
  268   1HG2  THR  32          1HG2      THR  32   4.052  -7.119   7.623
  269   2HG2  THR  32          2HG2      THR  32   4.674  -5.869   6.545
  270   3HG2  THR  32          3HG2      THR  32   3.079  -6.566   6.260
  271    H    ILE  33           H        ILE  33   1.194  -5.487   5.185
  272    HA   ILE  33           HA       ILE  33  -1.361  -5.813   6.612
  273    HB   ILE  33           HB       ILE  33  -1.137  -5.619   3.615
  274   1HG1  ILE  33          2HG1      ILE  33  -2.296  -3.274   4.843
  275   2HG1  ILE  33          1HG1      ILE  33  -0.650  -3.519   5.420
  276   1HG2  ILE  33          1HG2      ILE  33  -3.150  -6.660   4.378
  277   2HG2  ILE  33          2HG2      ILE  33  -3.548  -5.030   3.836
  278   3HG2  ILE  33          3HG2      ILE  33  -3.424  -5.380   5.560
  279   1HD1  ILE  33          1HD1      ILE  33   0.108  -3.633   3.071
  280   2HD1  ILE  33          2HD1      ILE  33  -0.616  -2.084   3.503
  281   3HD1  ILE  33          3HD1      ILE  33  -1.537  -3.255   2.558
  282    HA   PRO  34           HA       PRO  34   0.009 -10.111   6.173
  283   1HB   PRO  34          2HB       PRO  34  -2.728 -10.501   7.275
  284   2HB   PRO  34          1HB       PRO  34  -1.193 -11.199   7.797
  285   1HG   PRO  34          2HG       PRO  34  -2.327  -9.247   9.197
  286   2HG   PRO  34          1HG       PRO  34  -0.570  -9.292   8.967
  287   1HD   PRO  34          2HD       PRO  34  -2.616  -7.575   7.628
  288   2HD   PRO  34          1HD       PRO  34  -0.967  -7.170   8.148
  289    H    GLY  35           H        GLY  35  -0.098 -10.035   3.861
  290   1HA   GLY  35          2HA       GLY  35  -0.950 -10.534   1.783
  291   2HA   GLY  35          1HA       GLY  35  -1.725 -11.856   2.638
  292    H    HIS  36           H        HIS  36  -2.467  -8.492   3.264
  293    HA   HIS  36           HA       HIS  36  -4.417  -7.326   3.132
  294   1HB   HIS  36          2HB       HIS  36  -3.756  -8.237   0.529
  295   2HB   HIS  36          1HB       HIS  36  -5.501  -8.386   0.699
  296    HD2  HIS  36           2HD      HIS  36  -5.314  -5.512   2.721
  297    HE1  HIS  36           1HE      HIS  36  -4.701  -3.896  -1.142
  298    HE2  HIS  36           2HE      HIS  36  -5.128  -3.350   1.298
  299    H    LEU  37           H        LEU  37  -5.131  -8.757   4.945
  300    HA   LEU  37           HA       LEU  37  -6.879 -10.941   4.451
  301   1HB   LEU  37          2HB       LEU  37  -7.513 -10.644   6.849
  302   2HB   LEU  37          1HB       LEU  37  -5.792 -10.829   6.566
  303    HG   LEU  37           HG       LEU  37  -6.646  -8.036   6.606
  304   1HD1  LEU  37          1HD1      LEU  37  -7.991  -8.116   8.374
  305   2HD1  LEU  37          2HD1      LEU  37  -6.575  -8.572   9.320
  306   3HD1  LEU  37          3HD1      LEU  37  -7.634  -9.818   8.661
  307   1HD2  LEU  37          1HD2      LEU  37  -4.426  -9.739   7.510
  308   2HD2  LEU  37          2HD2      LEU  37  -4.769  -8.339   8.527
  309   3HD2  LEU  37          3HD2      LEU  37  -4.410  -8.117   6.816
  310    H    ASN  38           H        ASN  38  -7.327  -7.491   4.778
  311    HA   ASN  38           HA       ASN  38 -10.083  -7.786   3.876
  312   1HB   ASN  38          2HB       ASN  38 -11.008  -6.378   5.600
  313   2HB   ASN  38          1HB       ASN  38 -10.147  -7.704   6.375
  314   1HD2  ASN  38          1HD2      ASN  38 -10.419  -4.336   6.012
  315   2HD2  ASN  38          2HD2      ASN  38  -9.102  -3.881   7.032
  316    H    SER  39           H        SER  39 -10.862  -5.131   4.130
  317    HA   SER  39           HA       SER  39  -9.391  -3.956   1.960
  318   1HB   SER  39          2HB       SER  39 -11.055  -2.078   2.230
  319   2HB   SER  39          1HB       SER  39 -11.775  -3.664   1.949
  320    HG   SER  39           HG       SER  39 -11.375  -3.035   4.600
  321    H    TYR  40           H        TYR  40  -7.452  -3.106   2.394
  322    HA   TYR  40           HA       TYR  40  -7.255  -1.238   4.665
  323   1HB   TYR  40          2HB       TYR  40  -5.916  -3.509   4.696
  324   2HB   TYR  40          1HB       TYR  40  -4.830  -2.645   3.612
  325    HD1  TYR  40           1HD      TYR  40  -4.568  -0.015   4.608
  326    HD2  TYR  40           2HD      TYR  40  -5.066  -3.606   6.835
  327    HE1  TYR  40           1HE      TYR  40  -3.477   1.042   6.540
  328    HE2  TYR  40           2HE      TYR  40  -3.975  -2.559   8.775
  329    HH   TYR  40           HH       TYR  40  -2.907   0.828   8.679
  330    H    THR  41           H        THR  41  -7.451   0.703   3.701
  331    HA   THR  41           HA       THR  41  -5.534   1.332   1.556
  332    HB   THR  41           HB       THR  41  -7.634   1.275   0.441
  333    HG1  THR  41           1HG      THR  41  -7.948   3.630   0.063
  334   1HG2  THR  41          1HG2      THR  41  -9.443   1.359   1.775
  335   2HG2  THR  41          2HG2      THR  41  -9.344   3.102   1.533
  336   3HG2  THR  41          3HG2      THR  41  -8.632   2.370   2.971
  337    H    ILE  42           H        ILE  42  -4.532   3.319   1.667
  338    HA   ILE  42           HA       ILE  42  -4.529   4.570   4.265
  339    HB   ILE  42           HB       ILE  42  -2.937   5.111   1.766
  340   1HG1  ILE  42          2HG1      ILE  42  -2.415   3.034   3.009
  341   2HG1  ILE  42          1HG1      ILE  42  -1.088   4.186   3.044
  342   1HG2  ILE  42          1HG2      ILE  42  -1.627   6.702   3.020
  343   2HG2  ILE  42          2HG2      ILE  42  -2.606   6.423   4.461
  344   3HG2  ILE  42          3HG2      ILE  42  -3.320   7.193   3.044
  345   1HD1  ILE  42          1HD1      ILE  42  -2.635   4.729   5.311
  346   2HD1  ILE  42          2HD1      ILE  42  -1.039   3.978   5.240
  347   3HD1  ILE  42          3HD1      ILE  42  -2.489   2.973   5.215
  348    H    LYS  43           H        LYS  43  -5.905   6.134   4.804
  349    HA   LYS  43           HA       LYS  43  -6.591   8.164   2.803
  350   1HB   LYS  43          2HB       LYS  43  -8.391   6.212   3.848
  351   2HB   LYS  43          1HB       LYS  43  -8.863   7.788   4.469
  352   1HG   LYS  43          2HG       LYS  43  -8.324   8.194   1.760
  353   2HG   LYS  43          1HG       LYS  43  -9.218   6.675   1.845
  354   1HD   LYS  43          2HD       LYS  43 -10.151   9.079   3.369
  355   2HD   LYS  43          1HD       LYS  43 -10.526   8.904   1.653
  356   1HE   LYS  43          2HE       LYS  43 -11.255   7.009   3.881
  357   2HE   LYS  43          1HE       LYS  43 -12.353   8.030   2.953
  358   1HZ   LYS  43          1HZ       LYS  43 -11.469   5.434   2.364
  359   2HZ   LYS  43          2HZ       LYS  43 -10.902   6.468   1.150
  360   3HZ   LYS  43          3HZ       LYS  43 -12.557   6.395   1.495
  361    H    GLY  44           H        GLY  44  -6.579  10.208   3.552
  362   1HA   GLY  44          2HA       GLY  44  -7.209  11.621   5.553
  363   2HA   GLY  44          1HA       GLY  44  -6.142  10.552   6.451
  364    H    LEU  45           H        LEU  45  -5.164  11.267   3.256
  365    HA   LEU  45           HA       LEU  45  -2.821  12.620   4.199
  366   1HB   LEU  45          2HB       LEU  45  -3.746  12.251   1.342
  367   2HB   LEU  45          1HB       LEU  45  -2.122  12.642   1.884
  368    HG   LEU  45           HG       LEU  45  -3.423  10.086   2.756
  369   1HD1  LEU  45          1HD1      LEU  45  -2.807   8.943   0.845
  370   2HD1  LEU  45          2HD1      LEU  45  -1.701  10.211   0.318
  371   3HD1  LEU  45          3HD1      LEU  45  -3.444  10.453   0.193
  372   1HD2  LEU  45          1HD2      LEU  45  -1.455   9.741   3.714
  373   2HD2  LEU  45          2HD2      LEU  45  -0.943  11.349   3.201
  374   3HD2  LEU  45          3HD2      LEU  45  -0.633   9.953   2.169
  375    H    LYS  46           H        LYS  46  -2.812  14.318   1.658
  376    HA   LYS  46           HA       LYS  46  -4.769  16.348   2.315
  377   1HB   LYS  46          2HB       LYS  46  -2.956  16.984   3.758
  378   2HB   LYS  46          1HB       LYS  46  -1.795  16.819   2.447
  379   1HG   LYS  46          2HG       LYS  46  -2.072  19.085   2.497
  380   2HG   LYS  46          1HG       LYS  46  -3.287  18.645   1.305
  381   1HD   LYS  46          2HD       LYS  46  -4.731  19.766   2.561
  382   2HD   LYS  46          1HD       LYS  46  -4.598  18.453   3.729
  383   1HE   LYS  46          2HE       LYS  46  -2.631  19.689   4.710
  384   2HE   LYS  46          1HE       LYS  46  -3.076  21.048   3.679
  385   1HZ   LYS  46          1HZ       LYS  46  -4.434  19.982   6.040
  386   2HZ   LYS  46          2HZ       LYS  46  -5.398  20.632   4.812
  387   3HZ   LYS  46          3HZ       LYS  46  -4.216  21.588   5.552
  388    HA   PRO  47           HA       PRO  47  -4.664  16.407  -2.151
  389   1HB   PRO  47          2HB       PRO  47  -6.468  18.426  -2.476
  390   2HB   PRO  47          1HB       PRO  47  -6.928  16.759  -2.111
  391   1HG   PRO  47          2HG       PRO  47  -6.687  19.103  -0.269
  392   2HG   PRO  47          1HG       PRO  47  -7.936  17.846  -0.326
  393   1HD   PRO  47          2HD       PRO  47  -5.930  17.807   1.484
  394   2HD   PRO  47          1HD       PRO  47  -6.637  16.322   0.816
  395    H    GLY  48           H        GLY  48  -2.529  17.162  -2.317
  396   1HA   GLY  48          2HA       GLY  48  -1.987  19.422  -3.683
  397   2HA   GLY  48          1HA       GLY  48  -1.939  19.979  -2.013
  398    H    VAL  49           H        VAL  49  -1.015  17.245  -1.202
  399    HA   VAL  49           HA       VAL  49   1.801  17.500  -2.038
  400    HB   VAL  49           HB       VAL  49   1.598  16.044   0.404
  401   1HG1  VAL  49          1HG1      VAL  49   3.608  17.076   0.034
  402   2HG1  VAL  49          2HG1      VAL  49   2.869  18.197   1.178
  403   3HG1  VAL  49          3HG1      VAL  49   2.863  18.566  -0.546
  404   1HG2  VAL  49          1HG2      VAL  49  -0.132  18.450   0.255
  405   2HG2  VAL  49          2HG2      VAL  49   0.842  18.230   1.708
  406   3HG2  VAL  49          3HG2      VAL  49  -0.308  16.984   1.220
  407    H    VAL  50           H        VAL  50   2.320  15.860  -3.358
  408    HA   VAL  50           HA       VAL  50   0.799  13.434  -3.417
  409    HB   VAL  50           HB       VAL  50   3.261  14.347  -4.887
  410   1HG1  VAL  50          1HG1      VAL  50   3.783  12.138  -4.968
  411   2HG1  VAL  50          2HG1      VAL  50   2.598  12.165  -6.275
  412   3HG1  VAL  50          3HG1      VAL  50   2.125  11.621  -4.665
  413   1HG2  VAL  50          1HG2      VAL  50   1.504  15.372  -5.920
  414   2HG2  VAL  50          2HG2      VAL  50   0.358  14.109  -5.470
  415   3HG2  VAL  50          3HG2      VAL  50   1.494  13.839  -6.792
  416    H    TYR  51           H        TYR  51   1.175  11.556  -2.435
  417    HA   TYR  51           HA       TYR  51   3.643  11.312  -0.858
  418   1HB   TYR  51          2HB       TYR  51   0.871  10.200  -0.513
  419   2HB   TYR  51          1HB       TYR  51   2.247   9.440   0.284
  420    HD1  TYR  51           1HD      TYR  51   3.283  10.451   2.185
  421    HD2  TYR  51           2HD      TYR  51   0.231  12.523   0.066
  422    HE1  TYR  51           1HE      TYR  51   3.130  12.084   4.016
  423    HE2  TYR  51           2HE      TYR  51   0.071  14.166   1.890
  424    HH   TYR  51           HH       TYR  51   0.834  14.795   3.873
  425    H    GLU  52           H        GLU  52   5.133  10.233  -1.970
  426    HA   GLU  52           HA       GLU  52   4.412   8.132  -3.830
  427   1HB   GLU  52          2HB       GLU  52   6.160   9.161  -4.823
  428   2HB   GLU  52          1HB       GLU  52   6.744   9.831  -3.308
  429   1HG   GLU  52          2HG       GLU  52   8.477   8.464  -3.954
  430   2HG   GLU  52          1HG       GLU  52   7.583   7.434  -2.839
  431    H    GLY  53           H        GLY  53   4.517   6.001  -3.437
  432   1HA   GLY  53          2HA       GLY  53   6.167   5.013  -1.245
  433   2HA   GLY  53          1HA       GLY  53   4.437   4.752  -1.104
  434    H    GLN  54           H        GLN  54   6.337   2.699  -1.155
  435    HA   GLN  54           HA       GLN  54   5.531   1.312  -3.614
  436   1HB   GLN  54          2HB       GLN  54   7.917   0.127  -3.099
  437   2HB   GLN  54          1HB       GLN  54   7.697   1.439  -4.250
  438   1HG   GLN  54          2HG       GLN  54   8.432   3.055  -2.655
  439   2HG   GLN  54          1HG       GLN  54   8.449   1.850  -1.368
  440   1HE2  GLN  54          1HE2      GLN  54  10.316   3.497  -3.535
  441   2HE2  GLN  54          2HE2      GLN  54  11.697   2.459  -3.566
  442    H    LEU  55           H        LEU  55   5.123  -0.901  -3.380
  443    HA   LEU  55           HA       LEU  55   4.760  -1.749  -0.594
  444   1HB   LEU  55          2HB       LEU  55   2.933  -1.717  -2.517
  445   2HB   LEU  55          1HB       LEU  55   3.629  -3.286  -2.873
  446    HG   LEU  55           HG       LEU  55   3.093  -3.028  -0.047
  447   1HD1  LEU  55          1HD1      LEU  55   0.763  -2.774  -0.030
  448   2HD1  LEU  55          2HD1      LEU  55   0.655  -2.877  -1.788
  449   3HD1  LEU  55          3HD1      LEU  55   1.373  -1.455  -1.028
  450   1HD2  LEU  55          1HD2      LEU  55   3.330  -5.188  -0.781
  451   2HD2  LEU  55          2HD2      LEU  55   2.455  -4.888  -2.284
  452   3HD2  LEU  55          3HD2      LEU  55   1.573  -5.033  -0.764
  453    H    ILE  56           H        ILE  56   6.500  -2.836   0.122
  454    HA   ILE  56           HA       ILE  56   7.928  -4.645  -1.672
  455    HB   ILE  56           HB       ILE  56   8.532  -3.763   1.160
  456   1HG1  ILE  56          2HG1      ILE  56  10.568  -2.769   0.043
  457   2HG1  ILE  56          1HG1      ILE  56   9.840  -3.151  -1.512
  458   1HG2  ILE  56          1HG2      ILE  56  10.443  -5.110   1.178
  459   2HG2  ILE  56          2HG2      ILE  56  10.364  -5.405  -0.561
  460   3HG2  ILE  56          3HG2      ILE  56   9.185  -6.155   0.515
  461   1HD1  ILE  56          1HD1      ILE  56   8.090  -1.637   0.269
  462   2HD1  ILE  56          2HD1      ILE  56   8.492  -1.375  -1.427
  463   3HD1  ILE  56          3HD1      ILE  56   9.579  -0.796  -0.165
  464    H    SER  57           H        SER  57   7.589  -6.789  -1.672
  465    HA   SER  57           HA       SER  57   5.767  -7.896   0.304
  466   1HB   SER  57          2HB       SER  57   5.175  -9.423  -1.247
  467   2HB   SER  57          1HB       SER  57   5.969  -8.333  -2.382
  468    HG   SER  57           HG       SER  57   6.737 -10.817  -1.492
  469    H    ILE  58           H        ILE  58   6.296  -9.311   1.804
  470    HA   ILE  58           HA       ILE  58   9.139 -10.054   2.002
  471    HB   ILE  58           HB       ILE  58   7.223  -9.743   4.311
  472   1HG1  ILE  58          2HG1      ILE  58   9.433  -7.853   3.489
  473   2HG1  ILE  58          1HG1      ILE  58   7.743  -7.608   3.056
  474   1HG2  ILE  58          1HG2      ILE  58  10.222  -9.823   4.409
  475   2HG2  ILE  58          2HG2      ILE  58   9.247 -11.290   4.482
  476   3HG2  ILE  58          3HG2      ILE  58   9.068 -10.049   5.723
  477   1HD1  ILE  58          1HD1      ILE  58   7.791  -8.057   5.825
  478   2HD1  ILE  58          2HD1      ILE  58   7.461  -6.548   4.973
  479   3HD1  ILE  58          3HD1      ILE  58   9.108  -6.939   5.471
  480    H    GLN  59           H        GLN  59   9.411 -12.085   1.444
  481    HA   GLN  59           HA       GLN  59   7.436 -14.107   2.231
  482   1HB   GLN  59          2HB       GLN  59   9.616 -14.063   0.153
  483   2HB   GLN  59          1HB       GLN  59   8.906 -15.576   0.694
  484   1HG   GLN  59          2HG       GLN  59   7.078 -13.419  -0.204
  485   2HG   GLN  59          1HG       GLN  59   8.011 -14.287  -1.421
  486   1HE2  GLN  59          1HE2      GLN  59   7.513 -16.376  -1.900
  487   2HE2  GLN  59          2HE2      GLN  59   6.131 -17.199  -1.267
  488    H    GLN  60           H        GLN  60   8.856 -16.351   2.455
  489    HA   GLN  60           HA       GLN  60  10.054 -16.157   4.985
  490   1HB   GLN  60          2HB       GLN  60  10.859 -18.511   4.476
  491   2HB   GLN  60          1HB       GLN  60   9.123 -18.246   4.375
  492   1HG   GLN  60          2HG       GLN  60   9.109 -18.372   2.060
  493   2HG   GLN  60          1HG       GLN  60  10.838 -18.050   1.934
  494   1HE2  GLN  60          1HE2      GLN  60   9.490 -20.170   0.664
  495   2HE2  GLN  60          2HE2      GLN  60  10.100 -21.654   1.302
  496    H    TYR  61           H        TYR  61  11.294 -15.436   1.908
  497    HA   TYR  61           HA       TYR  61  14.075 -15.787   2.785
  498   1HB   TYR  61          2HB       TYR  61  13.054 -15.119   0.020
  499   2HB   TYR  61          1HB       TYR  61  14.704 -15.547   0.456
  500    HD1  TYR  61           1HD      TYR  61  11.823 -16.761  -1.007
  501    HD2  TYR  61           2HD      TYR  61  14.807 -17.913   1.801
  502    HE1  TYR  61           1HE      TYR  61  11.317 -19.127  -1.447
  503    HE2  TYR  61           2HE      TYR  61  14.308 -20.282   1.366
  504    HH   TYR  61           HH       TYR  61  11.563 -21.330  -0.183
  505    H    GLY  62           H        GLY  62  11.747 -13.403   2.736
  506   1HA   GLY  62          2HA       GLY  62  12.425 -11.254   3.700
  507   2HA   GLY  62          1HA       GLY  62  13.835 -11.310   2.656
  508    H    HIS  63           H        HIS  63  13.314  -9.238   1.823
  509    HA   HIS  63           HA       HIS  63  10.845  -8.556   0.652
  510   1HB   HIS  63          2HB       HIS  63  13.396  -7.410  -0.412
  511   2HB   HIS  63          1HB       HIS  63  11.872  -6.604  -0.059
  512    HD2  HIS  63           2HD      HIS  63  15.196  -6.309   1.222
  513    HE1  HIS  63           1HE      HIS  63  12.827  -6.302   4.728
  514    HE2  HIS  63           2HE      HIS  63  15.154  -5.943   3.789
  515    H    GLN  64           H        GLN  64  10.056  -8.702  -1.441
  516    HA   GLN  64           HA       GLN  64  11.749  -9.934  -3.466
  517   1HB   GLN  64          2HB       GLN  64   9.088 -11.145  -3.438
  518   2HB   GLN  64          1HB       GLN  64  10.663 -11.890  -3.659
  519   1HG   GLN  64          2HG       GLN  64  10.414 -11.093  -0.940
  520   2HG   GLN  64          1HG       GLN  64   8.966 -11.986  -1.407
  521   1HE2  GLN  64          1HE2      GLN  64  12.101 -12.238  -0.324
  522   2HE2  GLN  64          2HE2      GLN  64  12.364 -13.913  -0.650
  523    H    GLU  65           H        GLU  65   8.317  -9.035  -2.959
  524    HA   GLU  65           HA       GLU  65   8.274  -7.932  -5.671
  525   1HB   GLU  65          2HB       GLU  65   6.513  -9.530  -4.307
  526   2HB   GLU  65          1HB       GLU  65   5.778  -7.944  -4.131
  527   1HG   GLU  65          2HG       GLU  65   6.057  -7.721  -6.661
  528   2HG   GLU  65          1HG       GLU  65   6.369  -9.456  -6.654
  529    H    VAL  66           H        VAL  66   8.674  -5.813  -5.895
  530    HA   VAL  66           HA       VAL  66   7.342  -3.995  -4.034
  531    HB   VAL  66           HB       VAL  66   9.532  -4.013  -3.169
  532   1HG1  VAL  66          1HG1      VAL  66  11.490  -4.048  -4.301
  533   2HG1  VAL  66          2HG1      VAL  66  10.839  -3.178  -5.692
  534   3HG1  VAL  66          3HG1      VAL  66  10.457  -4.886  -5.459
  535   1HG2  VAL  66          1HG2      VAL  66  10.288  -1.690  -3.568
  536   2HG2  VAL  66          2HG2      VAL  66   8.556  -1.816  -3.261
  537   3HG2  VAL  66          3HG2      VAL  66   9.146  -1.584  -4.908
  538    H    THR  67           H        THR  67   6.344  -2.329  -4.938
  539    HA   THR  67           HA       THR  67   7.061  -1.519  -7.666
  540    HB   THR  67           HB       THR  67   4.250  -2.163  -6.747
  541    HG1  THR  67           1HG      THR  67   5.093  -4.041  -7.436
  542   1HG2  THR  67          1HG2      THR  67   4.150  -1.690  -9.454
  543   2HG2  THR  67          2HG2      THR  67   5.253  -0.438  -8.882
  544   3HG2  THR  67          3HG2      THR  67   3.632  -0.565  -8.198
  545    H    ARG  68           H        ARG  68   7.285   0.621  -7.803
  546    HA   ARG  68           HA       ARG  68   6.467   2.297  -5.590
  547   1HB   ARG  68          2HB       ARG  68   7.736   3.320  -8.107
  548   2HB   ARG  68          1HB       ARG  68   7.892   3.929  -6.464
  549   1HG   ARG  68          2HG       ARG  68   9.739   2.750  -6.184
  550   2HG   ARG  68          1HG       ARG  68   8.862   1.259  -6.524
  551   1HD   ARG  68          2HD       ARG  68  10.575   2.909  -8.288
  552   2HD   ARG  68          1HD       ARG  68  10.392   1.158  -8.201
  553    HE   ARG  68           HE       ARG  68   8.095   1.718  -9.277
  554   1HH1  ARG  68          1HH1      ARG  68  11.138   3.289  -9.923
  555   2HH1  ARG  68          2HH1      ARG  68  10.725   3.704 -11.553
  556   1HH2  ARG  68          1HH2      ARG  68   7.544   2.261 -11.422
  557   2HH2  ARG  68          2HH2      ARG  68   8.680   3.122 -12.404
  558    H    PHE  69           H        PHE  69   4.978   3.951  -5.641
  559    HA   PHE  69           HA       PHE  69   3.590   4.630  -8.083
  560   1HB   PHE  69          2HB       PHE  69   1.339   4.092  -6.923
  561   2HB   PHE  69          1HB       PHE  69   2.239   2.769  -7.658
  562    HD1  PHE  69           1HD      PHE  69   1.784   4.501  -4.389
  563    HD2  PHE  69           2HD      PHE  69   2.662   0.866  -6.424
  564    HE1  PHE  69           1HE      PHE  69   1.765   3.297  -2.241
  565    HE2  PHE  69           2HE      PHE  69   2.642  -0.343  -4.281
  566    HZ   PHE  69           HZ       PHE  69   2.194   0.872  -2.186
  567    H    ASP  70           H        ASP  70   2.042   6.387  -7.788
  568    HA   ASP  70           HA       ASP  70   2.684   8.029  -5.428
  569   1HB   ASP  70          2HB       ASP  70   1.861   9.936  -6.925
  570   2HB   ASP  70          1HB       ASP  70   3.404   9.208  -7.362
  571    H    PHE  71           H        PHE  71   0.997   8.709  -4.128
  572    HA   PHE  71           HA       PHE  71  -1.713   8.451  -5.133
  573   1HB   PHE  71          2HB       PHE  71  -2.439   6.767  -3.720
  574   2HB   PHE  71          1HB       PHE  71  -0.829   6.209  -4.154
  575    HD1  PHE  71           1HD      PHE  71  -3.041   6.963  -1.493
  576    HD2  PHE  71           2HD      PHE  71   1.087   6.802  -2.528
  577    HE1  PHE  71           1HE      PHE  71  -2.451   6.827   0.891
  578    HE2  PHE  71           2HE      PHE  71   1.681   6.663  -0.145
  579    HZ   PHE  71           HZ       PHE  71  -0.088   6.674   1.567
  580    H    THR  72           H        THR  72  -3.183   9.701  -4.125
  581    HA   THR  72           HA       THR  72  -2.596  10.942  -1.584
  582    HB   THR  72           HB       THR  72  -3.409  13.003  -3.474
  583    HG1  THR  72           1HG      THR  72  -0.895  12.938  -4.026
  584   1HG2  THR  72          1HG2      THR  72  -2.634  13.306  -1.120
  585   2HG2  THR  72          2HG2      THR  72  -1.751  14.278  -2.297
  586   3HG2  THR  72          3HG2      THR  72  -1.023  12.810  -1.641
  587    H    THR  73           H        THR  73  -4.452  12.383  -0.893
  588    HA   THR  73           HA       THR  73  -6.939  11.020  -1.525
  589    HB   THR  73           HB       THR  73  -6.680  11.385   0.798
  590    HG1  THR  73           1HG      THR  73  -8.368  13.090   1.164
  591   1HG2  THR  73          1HG2      THR  73  -6.581  14.146   1.215
  592   2HG2  THR  73          2HG2      THR  73  -5.389  13.825  -0.044
  593   3HG2  THR  73          3HG2      THR  73  -5.291  12.980   1.501
  594    H    THR  74           H        THR  74  -6.998  11.823  -3.729
  595    HA   THR  74           HA       THR  74  -7.937  13.113  -5.340
  596    HB   THR  74           HB       THR  74  -9.497  13.691  -3.122
  597    HG1  THR  74           1HG      THR  74  -9.662  14.226  -5.883
  598   1HG2  THR  74          1HG2      THR  74 -10.028  16.142  -3.501
  599   2HG2  THR  74          2HG2      THR  74  -8.484  16.254  -4.346
  600   3HG2  THR  74          3HG2      THR  74  -8.527  15.802  -2.642
  601    H    SER  75           H        SER  75  -7.646  15.156  -6.466
  602    HA   SER  75           HA       SER  75  -6.387  16.896  -7.205
  603   1HB   SER  75          2HB       SER  75  -6.894  17.464  -4.523
  604   2HB   SER  75          1HB       SER  75  -5.156  17.709  -4.697
  605    HG   SER  75           HG       SER  75  -6.746  19.505  -5.233
  606    H    THR  76           H        THR  76  -5.130  14.931  -8.001
  607    HA   THR  76           HA       THR  76  -2.360  15.473  -7.748
  608    HB   THR  76           HB       THR  76  -3.470  13.195  -6.166
  609    HG1  THR  76           1HG      THR  76  -1.143  14.802  -5.815
  610   1HG2  THR  76          1HG2      THR  76  -0.977  12.336  -6.250
  611   2HG2  THR  76          2HG2      THR  76  -1.013  13.069  -7.853
  612   3HG2  THR  76          3HG2      THR  76  -2.161  11.796  -7.440
  613    H    SER  77           H        SER  77  -1.107  14.373  -9.297
  614    HA   SER  77           HA       SER  77  -0.703  13.406 -11.311
  615   1HB   SER  77          2HB       SER  77  -1.377  11.371  -9.939
  616   2HB   SER  77          1HB       SER  77  -2.972  11.512 -10.678
  617    HG   SER  77           HG       SER  77  -1.074  11.631 -12.571
  618    H    THR  78           H        THR  78  -2.228  12.327 -13.297
  619    HA   THR  78           HA       THR  78  -4.311  14.330 -13.826
  620    HB   THR  78           HB       THR  78  -3.352  13.869 -16.323
  621    HG1  THR  78           1HG      THR  78  -1.038  14.028 -16.135
  622   1HG2  THR  78          1HG2      THR  78  -2.113  16.056 -16.035
  623   2HG2  THR  78          2HG2      THR  78  -2.548  15.979 -14.328
  624   3HG2  THR  78          3HG2      THR  78  -3.810  16.069 -15.557
  625    HA   PRO  79           HA       PRO  79  -7.353  11.507 -15.379
  626   1HB   PRO  79          2HB       PRO  79  -6.138  12.187 -18.042
  627   2HB   PRO  79          1HB       PRO  79  -7.845  11.913 -17.649
  628   1HG   PRO  79          2HG       PRO  79  -6.838  14.392 -17.797
  629   2HG   PRO  79          1HG       PRO  79  -8.058  13.963 -16.583
  630   1HD   PRO  79          2HD       PRO  79  -5.229  14.629 -16.209
  631   2HD   PRO  79          1HD       PRO  79  -6.527  14.529 -15.002
  632    H    GLY  80           H        GLY  80  -6.889   9.428 -14.876
  633   1HA   GLY  80          2HA       GLY  80  -6.343   7.334 -16.187
  634   2HA   GLY  80          1HA       GLY  80  -4.765   8.072 -16.414
  635    H    SER  81           H        SER  81  -6.985   6.768 -14.003
  636    HA   SER  81           HA       SER  81  -4.881   6.668 -11.998
  637   1HB   SER  81          2HB       SER  81  -7.599   5.432 -11.658
  638   2HB   SER  81          1HB       SER  81  -6.546   6.150 -10.439
  639    HG   SER  81           HG       SER  81  -7.523   7.770 -12.504
  640    H    ARG  82           H        ARG  82  -3.739   4.900 -11.449
  641    HA   ARG  82           HA       ARG  82  -3.829   2.611 -13.166
  642   1HB   ARG  82          2HB       ARG  82  -2.208   3.278 -10.712
  643   2HB   ARG  82          1HB       ARG  82  -2.047   1.750 -11.568
  644   1HG   ARG  82          2HG       ARG  82  -1.815   3.578 -13.589
  645   2HG   ARG  82          1HG       ARG  82  -1.020   4.393 -12.239
  646   1HD   ARG  82          2HD       ARG  82   0.785   3.183 -12.732
  647   2HD   ARG  82          1HD       ARG  82  -0.088   1.795 -12.083
  648    HE   ARG  82           HE       ARG  82  -0.431   1.027 -14.229
  649   1HH1  ARG  82          1HH1      ARG  82   0.892   4.252 -14.318
  650   2HH1  ARG  82          2HH1      ARG  82   1.224   4.206 -16.017
  651   1HH2  ARG  82          1HH2      ARG  82   0.005   0.958 -16.463
  652   2HH2  ARG  82          2HH2      ARG  82   0.718   2.333 -17.238
  653    H    SER  83           H        SER  83  -5.735   3.473 -10.644
  654    HA   SER  83           HA       SER  83  -6.407   0.673 -10.070
  655   1HB   SER  83          2HB       SER  83  -5.526   2.721  -8.170
  656   2HB   SER  83          1HB       SER  83  -7.055   1.968  -7.720
  657    HG   SER  83           HG       SER  83  -4.719   0.523  -8.421
  658    H    HIS  84           H        HIS  84  -8.583   0.871  -8.575
  659    HA   HIS  84           HA       HIS  84 -10.403   2.623 -10.097
  660   1HB   HIS  84          2HB       HIS  84 -11.745   0.325  -8.964
  661   2HB   HIS  84          1HB       HIS  84 -11.698   0.876 -10.634
  662    HD2  HIS  84           2HD      HIS  84 -10.419  -0.784 -12.301
  663    HE1  HIS  84           1HE      HIS  84  -8.310  -2.978  -9.359
  664    HE2  HIS  84           2HE      HIS  84  -8.996  -2.894 -11.799
  665    H    HIS  85           H        HIS  85 -11.041   4.215  -8.800
  666    HA   HIS  85           HA       HIS  85 -12.229   3.558  -6.231
  667   1HB   HIS  85          2HB       HIS  85 -10.930   5.453  -5.140
  668   2HB   HIS  85          1HB       HIS  85 -10.021   3.981  -5.468
  669    HD2  HIS  85           2HD      HIS  85  -8.250   4.165  -7.705
  670    HE1  HIS  85           1HE      HIS  85  -8.249   8.396  -7.621
  671    HE2  HIS  85           2HE      HIS  85  -7.221   6.336  -8.681
  672    H    HIS  86           H        HIS  86 -13.145   4.538  -8.833
  673    HA   HIS  86           HA       HIS  86 -13.978   7.277  -8.230
  674   1HB   HIS  86          2HB       HIS  86 -13.852   5.614 -10.708
  675   2HB   HIS  86          1HB       HIS  86 -15.027   6.922 -10.636
  676    HD2  HIS  86           2HD      HIS  86 -11.674   6.470 -11.967
  677    HE1  HIS  86           1HE      HIS  86 -11.680  10.435 -10.491
  678    HE2  HIS  86           2HE      HIS  86 -10.376   8.710 -11.814
  679    H    HIS  87           H        HIS  87 -15.114   4.065  -8.116
  680    HA   HIS  87           HA       HIS  87 -17.788   5.027  -7.407
  681   1HB   HIS  87          2HB       HIS  87 -17.233   3.716  -9.833
  682   2HB   HIS  87          1HB       HIS  87 -17.989   2.505  -8.802
  683    HD2  HIS  87           2HD      HIS  87 -20.498   3.620  -7.600
  684    HE1  HIS  87           1HE      HIS  87 -21.204   5.771 -11.176
  685    HE2  HIS  87           2HE      HIS  87 -22.270   4.776  -9.102
  686    H    HIS  88           H        HIS  88 -19.085   3.255  -6.341
  687    HA   HIS  88           HA       HIS  88 -17.430   2.002  -4.336
  688   1HB   HIS  88          2HB       HIS  88 -19.680   1.251  -3.423
  689   2HB   HIS  88          1HB       HIS  88 -19.420   2.990  -3.510
  690    HD2  HIS  88           2HD      HIS  88 -21.931   3.862  -3.957
  691    HE1  HIS  88           1HE      HIS  88 -22.741   1.386  -7.289
  692    HE2  HIS  88           2HE      HIS  88 -23.676   3.165  -5.745
  693    H    HIS  89           H        HIS  89 -18.811  -0.282  -3.698
  694    HA   HIS  89           HA       HIS  89 -18.827  -2.515  -4.122
  695   1HB   HIS  89          2HB       HIS  89 -20.629  -1.610  -5.731
  696   2HB   HIS  89          1HB       HIS  89 -19.434  -1.866  -6.999
  697    HD2  HIS  89           2HD      HIS  89 -20.237  -4.096  -8.242
  698    HE1  HIS  89           1HE      HIS  89 -21.016  -6.399  -4.778
  699    HE2  HIS  89           2HE      HIS  89 -20.763  -6.455  -7.300
  Start of MODEL   30
    1   1H    MET   1          1HT       MET   1  11.382 -14.318  -7.706
    2   2H    MET   1          2HT       MET   1  10.113 -15.301  -7.176
    3   3H    MET   1          3HT       MET   1   9.831 -14.120  -8.354
    4    HA   MET   1           HA       MET   1  10.241 -16.687  -8.907
    5   1HB   MET   1          2HB       MET   1  10.970 -15.754 -11.203
    6   2HB   MET   1          1HB       MET   1   9.410 -15.257 -10.563
    7   1HG   MET   1          2HG       MET   1  10.529 -13.190  -9.700
    8   2HG   MET   1          1HG       MET   1  11.965 -13.678 -10.599
    9   1HE   MET   1          1HE       MET   1  12.000 -14.249 -12.951
   10   2HE   MET   1          2HE       MET   1  12.230 -12.525 -13.239
   11   3HE   MET   1          3HE       MET   1  11.077 -13.435 -14.214
   12    H    ARG   2           H        ARG   2  11.961 -17.536  -7.602
   13    HA   ARG   2           HA       ARG   2  14.555 -17.345  -8.947
   14   1HB   ARG   2          2HB       ARG   2  14.266 -15.934  -6.719
   15   2HB   ARG   2          1HB       ARG   2  14.556 -17.498  -5.968
   16   1HG   ARG   2          2HG       ARG   2  16.708 -17.659  -6.856
   17   2HG   ARG   2          1HG       ARG   2  16.401 -16.407  -8.062
   18   1HD   ARG   2          2HD       ARG   2  17.364 -14.971  -6.658
   19   2HD   ARG   2          1HD       ARG   2  15.937 -15.145  -5.638
   20    HE   ARG   2           HE       ARG   2  17.130 -16.596  -4.245
   21   1HH1  ARG   2          1HH1      ARG   2  19.057 -15.510  -6.940
   22   2HH1  ARG   2          2HH1      ARG   2  20.556 -16.016  -6.235
   23   1HH2  ARG   2          1HH2      ARG   2  19.099 -17.260  -3.311
   24   2HH2  ARG   2          2HH2      ARG   2  20.581 -17.010  -4.175
   25    H    GLY   3           H        GLY   3  12.865 -19.371  -9.422
   26   1HA   GLY   3          2HA       GLY   3  13.324 -21.683  -9.641
   27   2HA   GLY   3          1HA       GLY   3  14.242 -21.617  -8.145
   28    H    SER   4           H        SER   4  12.708 -23.683  -8.201
   29    HA   SER   4           HA       SER   4  10.209 -22.969  -6.815
   30   1HB   SER   4          2HB       SER   4  10.209 -24.388  -9.001
   31   2HB   SER   4          1HB       SER   4  10.758 -25.696  -7.954
   32    HG   SER   4           HG       SER   4   8.861 -25.104  -6.620
   33    H    ASN   5           H        ASN   5  10.830 -22.856  -4.707
   34    HA   ASN   5           HA       ASN   5  11.969 -25.312  -3.549
   35   1HB   ASN   5          2HB       ASN   5  13.534 -23.281  -3.658
   36   2HB   ASN   5          1HB       ASN   5  12.496 -22.565  -2.429
   37   1HD2  ASN   5          1HD2      ASN   5  12.442 -23.463  -0.368
   38   2HD2  ASN   5          2HD2      ASN   5  13.668 -24.543   0.192
   39    H    ALA   6           H        ALA   6  10.886 -22.355  -1.938
   40    HA   ALA   6           HA       ALA   6   8.742 -23.934  -0.673
   41   1HB   ALA   6          1HB       ALA   6   9.366 -23.254   1.366
   42   2HB   ALA   6          2HB       ALA   6   9.663 -21.601   0.827
   43   3HB   ALA   6          3HB       ALA   6  10.899 -22.839   0.600
   44    HA   PRO   7           HA       PRO   7   6.517 -20.656  -2.994
   45   1HB   PRO   7          2HB       PRO   7   4.275 -22.513  -2.492
   46   2HB   PRO   7          1HB       PRO   7   4.833 -21.809  -4.012
   47   1HG   PRO   7          2HG       PRO   7   5.238 -24.392  -3.454
   48   2HG   PRO   7          1HG       PRO   7   6.447 -23.436  -4.329
   49   1HD   PRO   7          2HD       PRO   7   6.403 -24.261  -1.449
   50   2HD   PRO   7          1HD       PRO   7   7.766 -24.219  -2.588
   51    H    GLN   8           H        GLN   8   3.923 -20.136  -2.409
   52    HA   GLN   8           HA       GLN   8   4.007 -19.426   0.449
   53   1HB   GLN   8          2HB       GLN   8   2.627 -17.471  -0.151
   54   2HB   GLN   8          1HB       GLN   8   4.181 -17.469  -0.972
   55   1HG   GLN   8          2HG       GLN   8   3.087 -18.350  -2.992
   56   2HG   GLN   8          1HG       GLN   8   1.535 -18.270  -2.162
   57   1HE2  GLN   8          1HE2      GLN   8   0.890 -16.882  -3.908
   58   2HE2  GLN   8          2HE2      GLN   8   1.302 -15.205  -3.872
   59    HA   PRO   9           HA       PRO   9   0.217 -21.681   0.895
   60   1HB   PRO   9          2HB       PRO   9  -0.598 -20.773   3.277
   61   2HB   PRO   9          1HB       PRO   9   0.862 -21.758   3.119
   62   1HG   PRO   9          2HG       PRO   9   0.596 -18.792   3.417
   63   2HG   PRO   9          1HG       PRO   9   1.750 -19.894   4.188
   64   1HD   PRO   9          2HD       PRO   9   2.320 -18.350   1.983
   65   2HD   PRO   9          1HD       PRO   9   3.162 -19.858   2.390
   66    H    SER  10           H        SER  10  -0.376 -19.959  -0.992
   67    HA   SER  10           HA       SER  10  -2.063 -18.788  -1.960
   68   1HB   SER  10          2HB       SER  10  -3.441 -19.687   0.559
   69   2HB   SER  10          1HB       SER  10  -4.258 -18.641  -0.601
   70    HG   SER  10           HG       SER  10  -3.672 -21.313  -0.754
   71    H    HIS  11           H        HIS  11  -0.423 -17.772   0.698
   72    HA   HIS  11           HA       HIS  11  -1.216 -15.009   0.248
   73   1HB   HIS  11          2HB       HIS  11  -1.295 -16.331   2.967
   74   2HB   HIS  11          1HB       HIS  11  -1.289 -14.585   2.730
   75    HD2  HIS  11           2HD      HIS  11  -3.750 -17.346   3.183
   76    HE1  HIS  11           1HE      HIS  11  -5.806 -14.278   1.118
   77    HE2  HIS  11           2HE      HIS  11  -6.033 -16.528   2.263
   78    H    ILE  12           H        ILE  12   0.280 -13.532   1.604
   79    HA   ILE  12           HA       ILE  12   3.012 -14.550   1.267
   80    HB   ILE  12           HB       ILE  12   2.353 -12.467   0.066
   81   1HG1  ILE  12          2HG1      ILE  12   4.335 -11.247   1.734
   82   2HG1  ILE  12          1HG1      ILE  12   4.680 -12.972   1.621
   83   1HG2  ILE  12          1HG2      ILE  12   1.727 -11.637   2.839
   84   2HG2  ILE  12          2HG2      ILE  12   0.939 -11.209   1.319
   85   3HG2  ILE  12          3HG2      ILE  12   2.451 -10.427   1.780
   86   1HD1  ILE  12          1HD1      ILE  12   4.012 -11.805  -0.949
   87   2HD1  ILE  12          2HD1      ILE  12   5.396 -12.787  -0.471
   88   3HD1  ILE  12          3HD1      ILE  12   5.413 -11.047  -0.192
   89    H    SER  13           H        SER  13   4.643 -13.982   2.852
   90    HA   SER  13           HA       SER  13   3.897 -14.570   5.488
   91   1HB   SER  13          2HB       SER  13   6.298 -14.309   4.094
   92   2HB   SER  13          1HB       SER  13   6.379 -13.053   5.330
   93    HG   SER  13           HG       SER  13   6.338 -14.544   6.879
   94    H    LYS  14           H        LYS  14   4.639 -11.488   3.888
   95    HA   LYS  14           HA       LYS  14   2.835 -10.017   5.470
   96   1HB   LYS  14          2HB       LYS  14   4.581  -8.594   6.652
   97   2HB   LYS  14          1HB       LYS  14   4.291 -10.198   7.311
   98   1HG   LYS  14          2HG       LYS  14   6.401 -10.210   5.326
   99   2HG   LYS  14          1HG       LYS  14   6.738  -9.099   6.655
  100   1HD   LYS  14          2HD       LYS  14   6.238 -10.944   8.247
  101   2HD   LYS  14          1HD       LYS  14   6.070 -12.032   6.868
  102   1HE   LYS  14          2HE       LYS  14   8.257 -12.412   7.028
  103   2HE   LYS  14          1HE       LYS  14   8.506 -10.762   6.457
  104   1HZ   LYS  14          1HZ       LYS  14   8.709  -9.978   8.652
  105   2HZ   LYS  14          2HZ       LYS  14   9.651 -11.382   8.591
  106   3HZ   LYS  14          3HZ       LYS  14   8.126 -11.418   9.320
  107    H    TYR  15           H        TYR  15   2.530  -7.946   4.732
  108    HA   TYR  15           HA       TYR  15   4.069  -7.172   2.343
  109   1HB   TYR  15          2HB       TYR  15   1.237  -6.742   3.217
  110   2HB   TYR  15          1HB       TYR  15   1.987  -5.523   2.198
  111    HD1  TYR  15           1HD      TYR  15   3.250  -6.594   0.069
  112    HD2  TYR  15           2HD      TYR  15   0.000  -8.366   2.170
  113    HE1  TYR  15           1HE      TYR  15   2.671  -7.896  -1.934
  114    HE2  TYR  15           2HE      TYR  15  -0.586  -9.673   0.176
  115    HH   TYR  15           HH       TYR  15  -0.042  -9.169  -2.584
  116    H    ILE  16           H        ILE  16   5.143  -5.202   2.305
  117    HA   ILE  16           HA       ILE  16   4.854  -3.554   4.725
  118    HB   ILE  16           HB       ILE  16   7.269  -4.476   3.329
  119   1HG1  ILE  16          2HG1      ILE  16   6.701  -4.973   5.689
  120   2HG1  ILE  16          1HG1      ILE  16   8.245  -4.137   5.540
  121   1HG2  ILE  16          1HG2      ILE  16   7.682  -2.364   2.512
  122   2HG2  ILE  16          2HG2      ILE  16   8.417  -2.243   4.112
  123   3HG2  ILE  16          3HG2      ILE  16   6.812  -1.566   3.824
  124   1HD1  ILE  16          1HD1      ILE  16   7.545  -2.517   6.881
  125   2HD1  ILE  16          2HD1      ILE  16   6.068  -3.442   7.152
  126   3HD1  ILE  16          3HD1      ILE  16   6.127  -2.230   5.871
  127    H    LEU  17           H        LEU  17   4.172  -1.560   4.473
  128    HA   LEU  17           HA       LEU  17   4.164  -0.438   1.755
  129   1HB   LEU  17          2HB       LEU  17   2.025  -0.893   3.527
  130   2HB   LEU  17          1HB       LEU  17   2.279   0.835   3.490
  131    HG   LEU  17           HG       LEU  17   2.034  -0.767   0.965
  132   1HD1  LEU  17          1HD1      LEU  17  -0.365  -0.004   0.965
  133   2HD1  LEU  17          2HD1      LEU  17  -0.161   0.404   2.669
  134   3HD1  LEU  17          3HD1      LEU  17   0.018  -1.268   2.134
  135   1HD2  LEU  17          1HD2      LEU  17   2.479   1.212   0.080
  136   2HD2  LEU  17          2HD2      LEU  17   2.435   1.984   1.664
  137   3HD2  LEU  17          3HD2      LEU  17   0.949   1.795   0.734
  138    H    ARG  18           H        ARG  18   5.536   1.161   1.531
  139    HA   ARG  18           HA       ARG  18   6.056   2.898   3.849
  140   1HB   ARG  18          2HB       ARG  18   8.154   3.057   1.904
  141   2HB   ARG  18          1HB       ARG  18   8.246   2.557   3.588
  142   1HG   ARG  18          2HG       ARG  18   7.186   0.340   2.484
  143   2HG   ARG  18          1HG       ARG  18   8.155   0.940   1.136
  144   1HD   ARG  18          2HD       ARG  18   9.368   0.820   3.854
  145   2HD   ARG  18          1HD       ARG  18   9.175  -0.677   2.937
  146    HE   ARG  18           HE       ARG  18  10.383   0.878   1.143
  147   1HH1  ARG  18          1HH1      ARG  18  11.080   0.360   4.519
  148   2HH1  ARG  18          2HH1      ARG  18  12.784   0.613   4.337
  149   1HH2  ARG  18          1HH2      ARG  18  12.623   1.215   0.895
  150   2HH2  ARG  18          2HH2      ARG  18  13.661   1.099   2.278
  151    H    TRP  19           H        TRP  19   5.618   4.999   3.618
  152    HA   TRP  19           HA       TRP  19   5.744   6.227   1.016
  153   1HB   TRP  19          2HB       TRP  19   3.524   6.789   0.706
  154   2HB   TRP  19          1HB       TRP  19   3.386   5.168   1.373
  155    HD1  TRP  19           HD       TRP  19   2.521   8.785   2.079
  156    HE1  TRP  19           1HE      TRP  19   1.053   8.899   4.195
  157    HE3  TRP  19           3HE      TRP  19   2.965   3.935   3.647
  158    HZ2  TRP  19           2HZ      TRP  19   0.192   7.160   6.248
  159    HZ3  TRP  19           3HZ      TRP  19   1.780   3.238   5.687
  160    HH2  TRP  19           HH       TRP  19   0.424   4.820   6.962
  161    H    ARG  20           H        ARG  20   6.027   8.402   1.039
  162    HA   ARG  20           HA       ARG  20   5.792   9.870   3.540
  163   1HB   ARG  20          2HB       ARG  20   7.965   9.787   4.054
  164   2HB   ARG  20          1HB       ARG  20   8.278   8.790   2.645
  165   1HG   ARG  20          2HG       ARG  20   8.045  11.725   2.247
  166   2HG   ARG  20          1HG       ARG  20   9.498  11.099   3.028
  167   1HD   ARG  20          2HD       ARG  20   9.044   9.418   0.841
  168   2HD   ARG  20          1HD       ARG  20   8.743  11.049   0.245
  169    HE   ARG  20           HE       ARG  20  11.265   9.913   0.920
  170   1HH1  ARG  20          1HH1      ARG  20   9.475  12.903   0.904
  171   2HH1  ARG  20          2HH1      ARG  20  10.888  13.898   0.789
  172   1HH2  ARG  20          1HH2      ARG  20  13.128  11.216   0.770
  173   2HH2  ARG  20          2HH2      ARG  20  12.964  12.940   0.712
  174    HA   PRO  21           HA       PRO  21   4.523  13.211   0.980
  175   1HB   PRO  21          2HB       PRO  21   6.393  14.919   2.559
  176   2HB   PRO  21          1HB       PRO  21   4.668  15.143   2.227
  177   1HG   PRO  21          2HG       PRO  21   5.405  14.301   4.609
  178   2HG   PRO  21          1HG       PRO  21   4.036  13.526   3.785
  179   1HD   PRO  21          2HD       PRO  21   6.854  12.555   4.046
  180   2HD   PRO  21          1HD       PRO  21   5.336  11.661   4.253
  181    H    LYS  22           H        LYS  22   5.113  13.648  -1.002
  182    HA   LYS  22           HA       LYS  22   7.909  13.631  -1.772
  183   1HB   LYS  22          2HB       LYS  22   5.291  13.456  -3.177
  184   2HB   LYS  22          1HB       LYS  22   6.647  14.115  -4.082
  185   1HG   LYS  22          2HG       LYS  22   7.923  12.023  -3.357
  186   2HG   LYS  22          1HG       LYS  22   6.346  11.383  -2.890
  187   1HD   LYS  22          2HD       LYS  22   6.589  10.597  -5.057
  188   2HD   LYS  22          1HD       LYS  22   5.634  12.063  -5.286
  189   1HE   LYS  22          2HE       LYS  22   8.310  12.882  -5.363
  190   2HE   LYS  22          1HE       LYS  22   8.241  11.398  -6.312
  191   1HZ   LYS  22          1HZ       LYS  22   7.711  12.958  -7.877
  192   2HZ   LYS  22          2HZ       LYS  22   6.907  13.968  -6.785
  193   3HZ   LYS  22          3HZ       LYS  22   6.161  12.555  -7.334
  194    H    ASN  23           H        ASN  23   5.242  15.881  -1.479
  195    HA   ASN  23           HA       ASN  23   6.874  18.049  -2.582
  196   1HB   ASN  23          2HB       ASN  23   4.563  17.803  -3.414
  197   2HB   ASN  23          1HB       ASN  23   3.961  18.025  -1.775
  198   1HD2  ASN  23          1HD2      ASN  23   2.773  19.834  -2.375
  199   2HD2  ASN  23          2HD2      ASN  23   3.523  21.357  -2.704
  200    H    SER  24           H        SER  24   5.059  17.176   0.336
  201    HA   SER  24           HA       SER  24   5.993  19.519   1.754
  202   1HB   SER  24          2HB       SER  24   3.779  17.887   2.011
  203   2HB   SER  24          1HB       SER  24   4.784  17.402   3.376
  204    HG   SER  24           HG       SER  24   4.846  20.039   3.253
  205    H    VAL  25           H        VAL  25   7.099  16.385   1.135
  206    HA   VAL  25           HA       VAL  25   8.803  15.102   1.887
  207    HB   VAL  25           HB       VAL  25  10.819  16.129   2.147
  208   1HG1  VAL  25          1HG1      VAL  25  10.770  17.521   0.420
  209   2HG1  VAL  25          2HG1      VAL  25   9.934  18.752   1.367
  210   3HG1  VAL  25          3HG1      VAL  25   9.008  17.507   0.529
  211   1HG2  VAL  25          1HG2      VAL  25  10.646  18.639   3.238
  212   2HG2  VAL  25          2HG2      VAL  25  11.095  17.172   4.107
  213   3HG2  VAL  25          3HG2      VAL  25   9.427  17.741   4.142
  214    H    GLY  26           H        GLY  26  10.166  14.495   3.874
  215   1HA   GLY  26          2HA       GLY  26   9.905  15.059   6.439
  216   2HA   GLY  26          1HA       GLY  26   8.311  14.388   6.131
  217    H    ARG  27           H        ARG  27   8.385  12.527   7.260
  218    HA   ARG  27           HA       ARG  27  10.604  10.676   6.695
  219   1HB   ARG  27          2HB       ARG  27  10.239  11.421   9.081
  220   2HB   ARG  27          1HB       ARG  27   8.706  10.560   9.040
  221   1HG   ARG  27          2HG       ARG  27   9.960   8.481   8.499
  222   2HG   ARG  27          1HG       ARG  27  11.458   9.382   8.739
  223   1HD   ARG  27          2HD       ARG  27   9.366   9.381  10.871
  224   2HD   ARG  27          1HD       ARG  27  10.437   7.991  10.696
  225    HE   ARG  27           HE       ARG  27  12.264   9.360  11.285
  226   1HH1  ARG  27          1HH1      ARG  27   9.225  11.061  11.359
  227   2HH1  ARG  27          2HH1      ARG  27   9.830  12.365  12.325
  228   1HH2  ARG  27          1HH2      ARG  27  13.071  11.074  12.557
  229   2HH2  ARG  27          2HH2      ARG  27  12.016  12.373  13.004
  230    H    TRP  28           H        TRP  28  10.113   8.428   6.453
  231    HA   TRP  28           HA       TRP  28   7.758   7.981   4.870
  232   1HB   TRP  28          2HB       TRP  28  10.018   6.179   5.748
  233   2HB   TRP  28          1HB       TRP  28   8.675   5.618   4.759
  234    HD1  TRP  28           HD       TRP  28  11.702   7.990   4.604
  235    HE1  TRP  28           1HE      TRP  28  12.294   8.382   2.131
  236    HE3  TRP  28           3HE      TRP  28   7.761   5.568   2.432
  237    HZ2  TRP  28           2HZ      TRP  28  11.232   7.745  -0.407
  238    HZ3  TRP  28           3HZ      TRP  28   7.620   5.506  -0.024
  239    HH2  TRP  28           HH       TRP  28   9.323   6.571  -1.412
  240    H    LYS  29           H        LYS  29   6.612   5.766   5.269
  241    HA   LYS  29           HA       LYS  29   6.070   5.334   8.116
  242   1HB   LYS  29          2HB       LYS  29   4.199   6.436   6.117
  243   2HB   LYS  29          1HB       LYS  29   3.560   5.102   7.066
  244   1HG   LYS  29          2HG       LYS  29   3.257   6.403   8.834
  245   2HG   LYS  29          1HG       LYS  29   4.911   7.014   8.748
  246   1HD   LYS  29          2HD       LYS  29   4.310   8.759   7.302
  247   2HD   LYS  29          1HD       LYS  29   2.772   8.001   6.888
  248   1HE   LYS  29          2HE       LYS  29   3.186   8.642   9.740
  249   2HE   LYS  29          1HE       LYS  29   3.015  10.019   8.652
  250   1HZ   LYS  29          1HZ       LYS  29   1.060   7.976   9.386
  251   2HZ   LYS  29          2HZ       LYS  29   0.991   8.584   7.810
  252   3HZ   LYS  29          3HZ       LYS  29   0.846   9.635   9.128
  253    H    GLU  30           H        GLU  30   5.745   3.192   8.597
  254    HA   GLU  30           HA       GLU  30   5.563   1.372   6.283
  255   1HB   GLU  30          2HB       GLU  30   6.739  -0.242   8.015
  256   2HB   GLU  30          1HB       GLU  30   7.666   0.865   7.014
  257   1HG   GLU  30          2HG       GLU  30   7.628   2.485   8.919
  258   2HG   GLU  30          1HG       GLU  30   6.905   1.211   9.901
  259    H    ALA  31           H        ALA  31   4.020  -0.096   6.256
  260    HA   ALA  31           HA       ALA  31   2.595  -0.778   8.732
  261   1HB   ALA  31          1HB       ALA  31   1.528   0.727   6.524
  262   2HB   ALA  31          2HB       ALA  31   0.770   0.308   8.061
  263   3HB   ALA  31          3HB       ALA  31   0.666  -0.802   6.694
  264    H    THR  32           H        THR  32   2.373  -2.931   8.964
  265    HA   THR  32           HA       THR  32   3.043  -4.605   6.655
  266    HB   THR  32           HB       THR  32   2.834  -5.687   9.436
  267    HG1  THR  32           1HG      THR  32   4.216  -3.687   9.261
  268   1HG2  THR  32          1HG2      THR  32   3.768  -7.493   8.515
  269   2HG2  THR  32          2HG2      THR  32   5.064  -6.532   7.805
  270   3HG2  THR  32          3HG2      THR  32   3.538  -6.730   6.942
  271    H    ILE  33           H        ILE  33   1.680  -5.974   5.750
  272    HA   ILE  33           HA       ILE  33  -0.774  -6.764   7.145
  273    HB   ILE  33           HB       ILE  33  -1.222  -6.285   4.294
  274   1HG1  ILE  33          2HG1      ILE  33  -1.610  -3.710   5.218
  275   2HG1  ILE  33          1HG1      ILE  33  -0.056  -4.149   5.918
  276   1HG2  ILE  33          1HG2      ILE  33  -3.179  -4.969   5.504
  277   2HG2  ILE  33          2HG2      ILE  33  -2.636  -5.938   6.874
  278   3HG2  ILE  33          3HG2      ILE  33  -3.162  -6.728   5.389
  279   1HD1  ILE  33          1HD1      ILE  33   0.874  -4.574   3.776
  280   2HD1  ILE  33          2HD1      ILE  33   0.058  -3.011   3.704
  281   3HD1  ILE  33          3HD1      ILE  33  -0.703  -4.437   2.999
  282    HA   PRO  34           HA       PRO  34   0.997 -10.443   5.203
  283   1HB   PRO  34          2HB       PRO  34   0.041 -12.243   6.948
  284   2HB   PRO  34          1HB       PRO  34   1.409 -11.193   7.336
  285   1HG   PRO  34          2HG       PRO  34  -1.446 -10.983   8.180
  286   2HG   PRO  34          1HG       PRO  34   0.026 -10.625   9.097
  287   1HD   PRO  34          2HD       PRO  34  -1.581  -8.738   7.846
  288   2HD   PRO  34          1HD       PRO  34   0.104  -8.484   8.336
  289    H    GLY  35           H        GLY  35  -0.119 -10.628   3.303
  290   1HA   GLY  35          2HA       GLY  35  -1.532 -11.777   1.879
  291   2HA   GLY  35          1HA       GLY  35  -2.306 -12.493   3.282
  292    H    HIS  36           H        HIS  36  -2.202  -9.137   3.566
  293    HA   HIS  36           HA       HIS  36  -3.843  -7.552   3.559
  294   1HB   HIS  36          2HB       HIS  36  -3.802  -8.757   0.905
  295   2HB   HIS  36          1HB       HIS  36  -5.377  -8.078   1.300
  296    HD2  HIS  36           2HD      HIS  36  -2.495  -6.083   2.819
  297    HE1  HIS  36           1HE      HIS  36  -3.677  -4.134  -0.747
  298    HE2  HIS  36           2HE      HIS  36  -2.183  -4.005   1.298
  299    H    LEU  37           H        LEU  37  -4.958  -8.287   5.383
  300    HA   LEU  37           HA       LEU  37  -6.906 -10.331   5.330
  301   1HB   LEU  37          2HB       LEU  37  -6.946  -8.054   7.285
  302   2HB   LEU  37          1HB       LEU  37  -7.446  -9.714   7.533
  303    HG   LEU  37           HG       LEU  37  -5.479  -9.656   8.722
  304   1HD1  LEU  37          1HD1      LEU  37  -5.201 -11.504   7.280
  305   2HD1  LEU  37          2HD1      LEU  37  -3.649 -10.666   7.306
  306   3HD1  LEU  37          3HD1      LEU  37  -4.731 -10.474   5.927
  307   1HD2  LEU  37          1HD2      LEU  37  -5.024  -7.296   7.473
  308   2HD2  LEU  37          2HD2      LEU  37  -3.738  -8.293   6.793
  309   3HD2  LEU  37          3HD2      LEU  37  -3.874  -8.101   8.541
  310    H    ASN  38           H        ASN  38  -6.980  -7.030   4.376
  311    HA   ASN  38           HA       ASN  38  -9.586  -7.283   3.275
  312   1HB   ASN  38          2HB       ASN  38 -10.676  -5.488   4.612
  313   2HB   ASN  38          1HB       ASN  38 -10.333  -6.938   5.552
  314   1HD2  ASN  38          1HD2      ASN  38  -9.810  -3.593   5.208
  315   2HD2  ASN  38          2HD2      ASN  38  -8.752  -3.382   6.556
  316    H    SER  39           H        SER  39 -10.356  -4.748   2.865
  317    HA   SER  39           HA       SER  39  -8.329  -3.771   1.082
  318   1HB   SER  39          2HB       SER  39 -10.374  -1.857   1.220
  319   2HB   SER  39          1HB       SER  39 -10.191  -3.128   0.011
  320    HG   SER  39           HG       SER  39 -12.218  -3.287   0.983
  321    H    TYR  40           H        TYR  40  -6.636  -2.736   1.935
  322    HA   TYR  40           HA       TYR  40  -7.127  -0.764   4.060
  323   1HB   TYR  40          2HB       TYR  40  -5.566  -2.526   4.700
  324   2HB   TYR  40          1HB       TYR  40  -4.573  -2.191   3.286
  325    HD1  TYR  40           1HD      TYR  40  -6.132   0.197   5.689
  326    HD2  TYR  40           2HD      TYR  40  -2.534  -1.480   4.156
  327    HE1  TYR  40           1HE      TYR  40  -4.826   1.819   6.995
  328    HE2  TYR  40           2HE      TYR  40  -1.219   0.137   5.460
  329    HH   TYR  40           HH       TYR  40  -2.389   1.859   7.972
  330    H    THR  41           H        THR  41  -7.361   1.210   3.262
  331    HA   THR  41           HA       THR  41  -5.498   2.097   1.155
  332    HB   THR  41           HB       THR  41  -7.912   3.705   1.330
  333    HG1  THR  41           1HG      THR  41  -8.688   1.497   1.861
  334   1HG2  THR  41          1HG2      THR  41  -7.754   2.533  -1.180
  335   2HG2  THR  41          2HG2      THR  41  -6.077   2.630  -0.645
  336   3HG2  THR  41          3HG2      THR  41  -7.070   4.087  -0.705
  337    H    ILE  42           H        ILE  42  -4.210   3.731   1.701
  338    HA   ILE  42           HA       ILE  42  -4.508   4.995   4.279
  339    HB   ILE  42           HB       ILE  42  -2.433   5.353   2.113
  340   1HG1  ILE  42          2HG1      ILE  42  -1.482   4.306   4.622
  341   2HG1  ILE  42          1HG1      ILE  42  -2.827   3.329   4.041
  342   1HG2  ILE  42          1HG2      ILE  42  -2.882   6.776   4.670
  343   2HG2  ILE  42          2HG2      ILE  42  -2.162   7.344   3.165
  344   3HG2  ILE  42          3HG2      ILE  42  -1.221   6.341   4.269
  345   1HD1  ILE  42          1HD1      ILE  42  -1.554   3.307   1.806
  346   2HD1  ILE  42          2HD1      ILE  42  -0.971   2.298   3.128
  347   3HD1  ILE  42          3HD1      ILE  42  -0.171   3.827   2.769
  348    H    LYS  43           H        LYS  43  -5.678   6.769   4.608
  349    HA   LYS  43           HA       LYS  43  -5.781   8.790   2.481
  350   1HB   LYS  43          2HB       LYS  43  -7.990   7.259   3.550
  351   2HB   LYS  43          1HB       LYS  43  -8.231   8.982   3.814
  352   1HG   LYS  43          2HG       LYS  43  -9.006   9.069   1.738
  353   2HG   LYS  43          1HG       LYS  43  -7.336   8.841   1.209
  354   1HD   LYS  43          2HD       LYS  43  -7.716   6.379   1.288
  355   2HD   LYS  43          1HD       LYS  43  -9.415   6.697   1.646
  356   1HE   LYS  43          2HE       LYS  43  -9.845   6.934  -0.518
  357   2HE   LYS  43          1HE       LYS  43  -8.667   8.242  -0.622
  358   1HZ   LYS  43          1HZ       LYS  43  -8.154   6.451  -2.164
  359   2HZ   LYS  43          2HZ       LYS  43  -8.054   5.347  -0.887
  360   3HZ   LYS  43          3HZ       LYS  43  -6.933   6.607  -1.003
  361    H    GLY  44           H        GLY  44  -4.077   9.720   3.805
  362   1HA   GLY  44          2HA       GLY  44  -5.227  11.381   5.947
  363   2HA   GLY  44          1HA       GLY  44  -3.704  10.540   6.213
  364    H    LEU  45           H        LEU  45  -4.403  11.704   3.058
  365    HA   LEU  45           HA       LEU  45  -2.270  13.689   3.323
  366   1HB   LEU  45          2HB       LEU  45  -3.479  13.080   0.670
  367   2HB   LEU  45          1HB       LEU  45  -1.814  13.415   1.093
  368    HG   LEU  45           HG       LEU  45  -1.771  11.197   0.394
  369   1HD1  LEU  45          1HD1      LEU  45  -2.196  10.351   3.156
  370   2HD1  LEU  45          2HD1      LEU  45  -1.129  11.747   2.981
  371   3HD1  LEU  45          3HD1      LEU  45  -0.759  10.242   2.137
  372   1HD2  LEU  45          1HD2      LEU  45  -3.914  10.469   0.103
  373   2HD2  LEU  45          2HD2      LEU  45  -4.435  11.013   1.698
  374   3HD2  LEU  45          3HD2      LEU  45  -3.468   9.548   1.539
  375    H    LYS  46           H        LYS  46  -3.073  15.210   1.004
  376    HA   LYS  46           HA       LYS  46  -5.696  16.255   1.417
  377   1HB   LYS  46          2HB       LYS  46  -4.880  18.553   2.064
  378   2HB   LYS  46          1HB       LYS  46  -4.770  17.337   3.326
  379   1HG   LYS  46          2HG       LYS  46  -2.335  17.055   2.379
  380   2HG   LYS  46          1HG       LYS  46  -2.615  18.697   1.799
  381   1HD   LYS  46          2HD       LYS  46  -2.204  19.502   3.828
  382   2HD   LYS  46          1HD       LYS  46  -3.505  18.518   4.501
  383   1HE   LYS  46          2HE       LYS  46  -2.084  16.863   5.186
  384   2HE   LYS  46          1HE       LYS  46  -0.918  17.186   3.903
  385   1HZ   LYS  46          1HZ       LYS  46  -1.046  18.247   6.570
  386   2HZ   LYS  46          2HZ       LYS  46  -0.843  19.447   5.394
  387   3HZ   LYS  46          3HZ       LYS  46   0.261  18.170   5.498
  388    HA   PRO  47           HA       PRO  47  -5.275  17.606  -2.741
  389   1HB   PRO  47          2HB       PRO  47  -6.356  20.164  -2.585
  390   2HB   PRO  47          1HB       PRO  47  -7.281  18.674  -2.791
  391   1HG   PRO  47          2HG       PRO  47  -6.732  20.241  -0.308
  392   2HG   PRO  47          1HG       PRO  47  -8.217  19.409  -0.808
  393   1HD   PRO  47          2HD       PRO  47  -6.593  18.349   1.030
  394   2HD   PRO  47          1HD       PRO  47  -7.410  17.325  -0.171
  395    H    GLY  48           H        GLY  48  -3.270  18.004  -3.464
  396   1HA   GLY  48          2HA       GLY  48  -1.949  19.963  -4.263
  397   2HA   GLY  48          1HA       GLY  48  -1.987  20.520  -2.599
  398    H    VAL  49           H        VAL  49  -1.606  17.624  -1.707
  399    HA   VAL  49           HA       VAL  49   1.274  17.496  -2.327
  400    HB   VAL  49           HB       VAL  49   0.777  16.153   0.124
  401   1HG1  VAL  49          1HG1      VAL  49   2.922  16.976  -0.435
  402   2HG1  VAL  49          2HG1      VAL  49   2.374  17.907   0.961
  403   3HG1  VAL  49          3HG1      VAL  49   2.313  18.617  -0.653
  404   1HG2  VAL  49          1HG2      VAL  49  -0.897  18.461  -0.199
  405   2HG2  VAL  49          2HG2      VAL  49   0.296  18.746   1.067
  406   3HG2  VAL  49          3HG2      VAL  49  -0.775  17.346   1.162
  407    H    VAL  50           H        VAL  50   2.164  15.616  -2.859
  408    HA   VAL  50           HA       VAL  50   0.425  13.243  -2.872
  409    HB   VAL  50           HB       VAL  50   1.273  14.232  -5.146
  410   1HG1  VAL  50          1HG1      VAL  50   3.416  13.226  -5.844
  411   2HG1  VAL  50          2HG1      VAL  50   3.673  12.694  -4.181
  412   3HG1  VAL  50          3HG1      VAL  50   3.614  14.419  -4.559
  413   1HG2  VAL  50          1HG2      VAL  50   0.932  11.491  -4.164
  414   2HG2  VAL  50          2HG2      VAL  50   1.819  11.616  -5.685
  415   3HG2  VAL  50          3HG2      VAL  50   0.198  12.297  -5.553
  416    H    TYR  51           H        TYR  51   1.369  11.268  -2.317
  417    HA   TYR  51           HA       TYR  51   3.893  11.517  -0.830
  418   1HB   TYR  51          2HB       TYR  51   1.464   9.805  -0.312
  419   2HB   TYR  51          1HB       TYR  51   3.009   9.540   0.488
  420    HD1  TYR  51           1HD      TYR  51   3.355  10.542   2.539
  421    HD2  TYR  51           2HD      TYR  51   0.570  12.298  -0.154
  422    HE1  TYR  51           1HE      TYR  51   2.768  12.205   4.245
  423    HE2  TYR  51           2HE      TYR  51  -0.034  13.966   1.548
  424    HH   TYR  51           HH       TYR  51   0.161  14.534   3.718
  425    H    GLU  52           H        GLU  52   5.453   9.946  -1.069
  426    HA   GLU  52           HA       GLU  52   5.315   8.430  -3.533
  427   1HB   GLU  52          2HB       GLU  52   7.381   9.580  -2.178
  428   2HB   GLU  52          1HB       GLU  52   7.533   7.913  -1.640
  429   1HG   GLU  52          2HG       GLU  52   8.022   7.133  -3.747
  430   2HG   GLU  52          1HG       GLU  52   7.256   8.504  -4.548
  431    H    GLY  53           H        GLY  53   4.705   6.313  -3.682
  432   1HA   GLY  53          2HA       GLY  53   4.467   4.851  -1.122
  433   2HA   GLY  53          1HA       GLY  53   3.266   4.739  -2.394
  434    H    GLN  54           H        GLN  54   5.305   2.895  -0.955
  435    HA   GLN  54           HA       GLN  54   6.041   1.459  -3.402
  436   1HB   GLN  54          2HB       GLN  54   8.005   2.700  -2.334
  437   2HB   GLN  54          1HB       GLN  54   7.862   1.559  -1.005
  438   1HG   GLN  54          2HG       GLN  54   8.351  -0.283  -2.427
  439   2HG   GLN  54          1HG       GLN  54   8.245   0.730  -3.866
  440   1HE2  GLN  54          1HE2      GLN  54   9.719   2.854  -3.377
  441   2HE2  GLN  54          2HE2      GLN  54  11.358   2.436  -3.029
  442    H    LEU  55           H        LEU  55   5.045  -0.444  -3.381
  443    HA   LEU  55           HA       LEU  55   4.374  -1.666  -0.802
  444   1HB   LEU  55          2HB       LEU  55   2.739  -1.266  -2.854
  445   2HB   LEU  55          1HB       LEU  55   3.410  -2.797  -3.375
  446    HG   LEU  55           HG       LEU  55   1.734  -3.701  -2.203
  447   1HD1  LEU  55          1HD1      LEU  55   2.303  -4.452  -0.122
  448   2HD1  LEU  55          2HD1      LEU  55   2.947  -2.889   0.385
  449   3HD1  LEU  55          3HD1      LEU  55   3.873  -3.910  -0.716
  450   1HD2  LEU  55          1HD2      LEU  55   1.481  -0.972  -1.133
  451   2HD2  LEU  55          2HD2      LEU  55   0.808  -2.266  -0.139
  452   3HD2  LEU  55          3HD2      LEU  55   0.256  -2.052  -1.801
  453    H    ILE  56           H        ILE  56   5.937  -2.933  -0.080
  454    HA   ILE  56           HA       ILE  56   7.332  -4.671  -1.998
  455    HB   ILE  56           HB       ILE  56   8.269  -3.875   0.759
  456   1HG1  ILE  56          2HG1      ILE  56   9.989  -2.614  -0.836
  457   2HG1  ILE  56          1HG1      ILE  56   8.602  -2.605  -1.917
  458   1HG2  ILE  56          1HG2      ILE  56  10.006  -4.889  -1.444
  459   2HG2  ILE  56          2HG2      ILE  56   9.060  -6.031  -0.488
  460   3HG2  ILE  56          3HG2      ILE  56  10.240  -4.982   0.302
  461   1HD1  ILE  56          1HD1      ILE  56   8.789  -0.552  -0.585
  462   2HD1  ILE  56          2HD1      ILE  56   8.614  -1.511   0.885
  463   3HD1  ILE  56          3HD1      ILE  56   7.287  -1.423  -0.273
  464    H    SER  57           H        SER  57   6.628  -6.683  -1.992
  465    HA   SER  57           HA       SER  57   5.280  -7.800   0.306
  466   1HB   SER  57          2HB       SER  57   5.960  -9.493  -2.040
  467   2HB   SER  57          1HB       SER  57   4.461  -9.395  -1.116
  468    HG   SER  57           HG       SER  57   4.529  -7.112  -2.187
  469    H    ILE  58           H        ILE  58   6.054  -9.345   1.636
  470    HA   ILE  58           HA       ILE  58   8.874 -10.102   1.286
  471    HB   ILE  58           HB       ILE  58   7.382  -9.855   3.896
  472   1HG1  ILE  58          2HG1      ILE  58   9.554  -8.006   3.582
  473   2HG1  ILE  58          1HG1      ILE  58   8.454  -7.841   2.216
  474   1HG2  ILE  58          1HG2      ILE  58   9.917 -11.022   3.138
  475   2HG2  ILE  58          2HG2      ILE  58   9.058 -11.097   4.677
  476   3HG2  ILE  58          3HG2      ILE  58  10.124  -9.736   4.328
  477   1HD1  ILE  58          1HD1      ILE  58   8.137  -6.493   4.473
  478   2HD1  ILE  58          2HD1      ILE  58   7.254  -7.952   4.918
  479   3HD1  ILE  58          3HD1      ILE  58   6.771  -7.029   3.496
  480    H    GLN  59           H        GLN  59   8.980 -12.118   0.558
  481    HA   GLN  59           HA       GLN  59   7.007 -14.095   1.323
  482   1HB   GLN  59          2HB       GLN  59   8.298 -13.716  -0.992
  483   2HB   GLN  59          1HB       GLN  59   9.411 -14.850  -0.245
  484   1HG   GLN  59          2HG       GLN  59   7.954 -16.169  -1.499
  485   2HG   GLN  59          1HG       GLN  59   7.389 -16.329   0.164
  486   1HE2  GLN  59          1HE2      GLN  59   5.389 -15.615   0.707
  487   2HE2  GLN  59          2HE2      GLN  59   4.252 -14.979  -0.427
  488    H    GLN  60           H        GLN  60   8.250 -16.409   1.549
  489    HA   GLN  60           HA       GLN  60   9.236 -16.432   4.171
  490   1HB   GLN  60          2HB       GLN  60   9.902 -18.669   2.312
  491   2HB   GLN  60          1HB       GLN  60   9.338 -18.729   3.976
  492   1HG   GLN  60          2HG       GLN  60   7.706 -18.123   1.523
  493   2HG   GLN  60          1HG       GLN  60   7.620 -19.563   2.535
  494   1HE2  GLN  60          1HE2      GLN  60   7.523 -18.650   5.028
  495   2HE2  GLN  60          2HE2      GLN  60   6.145 -17.641   5.280
  496    H    TYR  61           H        TYR  61  10.859 -15.871   1.188
  497    HA   TYR  61           HA       TYR  61  13.469 -16.380   2.431
  498   1HB   TYR  61          2HB       TYR  61  13.945 -15.632  -0.204
  499   2HB   TYR  61          1HB       TYR  61  13.947 -17.270   0.436
  500    HD1  TYR  61           1HD      TYR  61  12.022 -18.741   0.087
  501    HD2  TYR  61           2HD      TYR  61  12.110 -14.811  -1.537
  502    HE1  TYR  61           1HE      TYR  61  10.156 -19.324  -1.405
  503    HE2  TYR  61           2HE      TYR  61  10.244 -15.380  -3.033
  504    HH   TYR  61           HH       TYR  61   8.234 -17.307  -2.819
  505    H    GLY  62           H        GLY  62  11.554 -13.963   2.698
  506   1HA   GLY  62          2HA       GLY  62  12.060 -11.779   3.343
  507   2HA   GLY  62          1HA       GLY  62  13.686 -11.997   2.712
  508    H    HIS  63           H        HIS  63  14.188 -11.040   0.835
  509    HA   HIS  63           HA       HIS  63  12.554  -9.191  -0.413
  510   1HB   HIS  63          2HB       HIS  63  14.866 -10.754  -1.586
  511   2HB   HIS  63          1HB       HIS  63  14.152  -9.323  -2.323
  512    HD2  HIS  63           2HD      HIS  63  14.344  -6.982  -0.528
  513    HE1  HIS  63           1HE      HIS  63  17.936  -8.497   1.120
  514    HE2  HIS  63           2HE      HIS  63  16.380  -6.499   1.006
  515    H    GLN  64           H        GLN  64  10.644  -9.566  -1.332
  516    HA   GLN  64           HA       GLN  64  10.378 -11.965  -3.017
  517   1HB   GLN  64          2HB       GLN  64   9.006 -12.372  -1.178
  518   2HB   GLN  64          1HB       GLN  64   8.480 -10.702  -1.074
  519   1HG   GLN  64          2HG       GLN  64   6.776 -12.359  -1.882
  520   2HG   GLN  64          1HG       GLN  64   7.021 -10.936  -2.891
  521   1HE2  GLN  64          1HE2      GLN  64   8.889 -13.924  -2.603
  522   2HE2  GLN  64          2HE2      GLN  64   8.736 -14.391  -4.260
  523    H    GLU  65           H        GLU  65   8.511  -8.948  -2.535
  524    HA   GLU  65           HA       GLU  65   8.730  -8.442  -5.417
  525   1HB   GLU  65          2HB       GLU  65   6.515  -9.619  -4.375
  526   2HB   GLU  65          1HB       GLU  65   6.075  -7.922  -4.250
  527   1HG   GLU  65          2HG       GLU  65   6.132  -7.602  -6.544
  528   2HG   GLU  65          1HG       GLU  65   7.148  -9.017  -6.815
  529    H    VAL  66           H        VAL  66   8.588  -6.310  -6.058
  530    HA   VAL  66           HA       VAL  66   8.195  -4.288  -3.967
  531    HB   VAL  66           HB       VAL  66  10.498  -4.294  -5.923
  532   1HG1  VAL  66          1HG1      VAL  66   9.836  -2.046  -5.693
  533   2HG1  VAL  66          2HG1      VAL  66  11.175  -2.254  -4.565
  534   3HG1  VAL  66          3HG1      VAL  66   9.515  -2.232  -3.970
  535   1HG2  VAL  66          1HG2      VAL  66  11.920  -4.513  -3.988
  536   2HG2  VAL  66          2HG2      VAL  66  10.741  -5.826  -3.990
  537   3HG2  VAL  66          3HG2      VAL  66  10.524  -4.447  -2.913
  538    H    THR  67           H        THR  67   7.009  -2.560  -4.601
  539    HA   THR  67           HA       THR  67   6.612  -2.102  -7.475
  540    HB   THR  67           HB       THR  67   4.321  -2.109  -5.507
  541    HG1  THR  67           1HG      THR  67   3.864  -4.039  -7.089
  542   1HG2  THR  67          1HG2      THR  67   2.918  -1.701  -7.312
  543   2HG2  THR  67          2HG2      THR  67   4.103  -2.267  -8.490
  544   3HG2  THR  67          3HG2      THR  67   4.322  -0.706  -7.698
  545    H    ARG  68           H        ARG  68   6.573   0.005  -8.055
  546    HA   ARG  68           HA       ARG  68   6.615   1.990  -5.880
  547   1HB   ARG  68          2HB       ARG  68   7.931   2.033  -8.595
  548   2HB   ARG  68          1HB       ARG  68   7.875   3.421  -7.517
  549   1HG   ARG  68          2HG       ARG  68   8.857   1.344  -5.948
  550   2HG   ARG  68          1HG       ARG  68   9.657   1.157  -7.512
  551   1HD   ARG  68          2HD       ARG  68   9.513   3.919  -6.542
  552   2HD   ARG  68          1HD       ARG  68  10.468   2.841  -5.525
  553    HE   ARG  68           HE       ARG  68  12.029   2.660  -7.214
  554   1HH1  ARG  68          1HH1      ARG  68   9.194   4.318  -8.377
  555   2HH1  ARG  68          2HH1      ARG  68   9.939   4.823  -9.856
  556   1HH2  ARG  68          1HH2      ARG  68  13.015   3.316  -9.159
  557   2HH2  ARG  68          2HH2      ARG  68  12.112   4.253 -10.301
  558    H    PHE  69           H        PHE  69   4.964   3.341  -5.765
  559    HA   PHE  69           HA       PHE  69   3.720   4.419  -8.133
  560   1HB   PHE  69          2HB       PHE  69   1.490   3.651  -7.713
  561   2HB   PHE  69          1HB       PHE  69   2.537   2.236  -7.735
  562    HD1  PHE  69           1HD      PHE  69  -0.106   3.737  -6.080
  563    HD2  PHE  69           2HD      PHE  69   3.515   1.639  -5.303
  564    HE1  PHE  69           1HE      PHE  69  -0.963   3.081  -3.868
  565    HE2  PHE  69           2HE      PHE  69   2.663   0.977  -3.092
  566    HZ   PHE  69           HZ       PHE  69   0.422   1.698  -2.373
  567    H    ASP  70           H        ASP  70   2.989   6.448  -7.790
  568    HA   ASP  70           HA       ASP  70   3.073   7.458  -5.033
  569   1HB   ASP  70          2HB       ASP  70   2.904   9.150  -7.523
  570   2HB   ASP  70          1HB       ASP  70   3.481   9.613  -5.924
  571    H    PHE  71           H        PHE  71   1.292   8.365  -4.054
  572    HA   PHE  71           HA       PHE  71  -1.090   8.897  -5.632
  573   1HB   PHE  71          2HB       PHE  71  -2.505   7.329  -4.597
  574   2HB   PHE  71          1HB       PHE  71  -1.046   6.421  -4.974
  575    HD1  PHE  71           1HD      PHE  71   0.629   6.006  -3.135
  576    HD2  PHE  71           2HD      PHE  71  -3.284   7.510  -2.390
  577    HE1  PHE  71           1HE      PHE  71   0.831   5.347  -0.772
  578    HE2  PHE  71           2HE      PHE  71  -3.089   6.855  -0.026
  579    HZ   PHE  71           HZ       PHE  71  -1.031   5.771   0.785
  580    H    THR  72           H        THR  72  -2.795   9.904  -4.453
  581    HA   THR  72           HA       THR  72  -2.211  10.920  -1.794
  582    HB   THR  72           HB       THR  72  -1.555  12.920  -2.578
  583    HG1  THR  72           1HG      THR  72  -3.610  13.516  -1.911
  584   1HG2  THR  72          1HG2      THR  72  -2.968  12.831  -5.196
  585   2HG2  THR  72          2HG2      THR  72  -1.593  11.755  -4.953
  586   3HG2  THR  72          3HG2      THR  72  -1.387  13.498  -4.789
  587    H    THR  73           H        THR  73  -4.171  12.107  -0.930
  588    HA   THR  73           HA       THR  73  -6.450  10.440  -1.272
  589    HB   THR  73           HB       THR  73  -6.121  11.378   0.889
  590    HG1  THR  73           1HG      THR  73  -8.228  11.486   0.961
  591   1HG2  THR  73          1HG2      THR  73  -5.349  13.691  -0.546
  592   2HG2  THR  73          2HG2      THR  73  -5.252  13.399   1.189
  593   3HG2  THR  73          3HG2      THR  73  -6.695  14.142   0.501
  594    H    THR  74           H        THR  74  -5.689  13.756  -2.284
  595    HA   THR  74           HA       THR  74  -7.910  13.574  -4.200
  596    HB   THR  74           HB       THR  74  -8.993  15.387  -3.458
  597    HG1  THR  74           1HG      THR  74  -6.415  16.548  -3.223
  598   1HG2  THR  74          1HG2      THR  74  -8.217  14.173  -1.294
  599   2HG2  THR  74          2HG2      THR  74  -8.942  15.775  -1.168
  600   3HG2  THR  74          3HG2      THR  74  -7.189  15.591  -1.070
  601    H    SER  75           H        SER  75  -7.656  15.902  -5.530
  602    HA   SER  75           HA       SER  75  -6.476  17.015  -7.122
  603   1HB   SER  75          2HB       SER  75  -4.717  16.879  -4.917
  604   2HB   SER  75          1HB       SER  75  -3.757  16.480  -6.341
  605    HG   SER  75           HG       SER  75  -5.092  18.470  -7.163
  606    H    THR  76           H        THR  76  -4.712  16.696  -8.825
  607    HA   THR  76           HA       THR  76  -4.762  13.872  -9.644
  608    HB   THR  76           HB       THR  76  -5.734  14.922 -11.428
  609    HG1  THR  76           1HG      THR  76  -3.991  15.425 -12.998
  610   1HG2  THR  76          1HG2      THR  76  -5.152  17.202 -12.207
  611   2HG2  THR  76          2HG2      THR  76  -3.982  17.324 -10.892
  612   3HG2  THR  76          3HG2      THR  76  -5.702  17.170 -10.531
  613    H    SER  77           H        SER  77  -2.921  12.760  -9.999
  614    HA   SER  77           HA       SER  77  -0.388  14.146 -10.295
  615   1HB   SER  77          2HB       SER  77  -0.883  12.252  -7.985
  616   2HB   SER  77          1HB       SER  77   0.681  12.934  -8.429
  617    HG   SER  77           HG       SER  77  -0.497  15.040  -8.164
  618    H    THR  78           H        THR  78  -2.294  11.230 -10.333
  619    HA   THR  78           HA       THR  78  -0.420  10.082 -12.268
  620    HB   THR  78           HB       THR  78   0.325   8.839 -10.462
  621    HG1  THR  78           1HG      THR  78  -0.938   6.768 -10.623
  622   1HG2  THR  78          1HG2      THR  78  -1.590   7.766  -8.930
  623   2HG2  THR  78          2HG2      THR  78  -2.419   9.241  -9.423
  624   3HG2  THR  78          3HG2      THR  78  -0.868   9.339  -8.590
  625    HA   PRO  79           HA       PRO  79  -4.593   9.555 -13.971
  626   1HB   PRO  79          2HB       PRO  79  -3.885   9.627 -16.558
  627   2HB   PRO  79          1HB       PRO  79  -3.965  11.097 -15.578
  628   1HG   PRO  79          2HG       PRO  79  -1.579   9.484 -16.384
  629   2HG   PRO  79          1HG       PRO  79  -1.772  11.245 -16.321
  630   1HD   PRO  79          2HD       PRO  79  -0.531   9.753 -14.372
  631   2HD   PRO  79          1HD       PRO  79  -1.282  11.335 -14.090
  632    H    GLY  80           H        GLY  80  -5.150   8.083 -16.109
  633   1HA   GLY  80          2HA       GLY  80  -4.343   5.404 -15.283
  634   2HA   GLY  80          1HA       GLY  80  -5.655   5.804 -16.381
  635    H    SER  81           H        SER  81  -2.106   6.063 -16.197
  636    HA   SER  81           HA       SER  81  -2.008   5.346 -19.053
  637   1HB   SER  81          2HB       SER  81  -0.397   7.238 -17.398
  638   2HB   SER  81          1HB       SER  81   0.411   6.401 -18.724
  639    HG   SER  81           HG       SER  81  -0.401   8.129 -19.713
  640    H    ARG  82           H        ARG  82  -1.346   4.268 -15.943
  641    HA   ARG  82           HA       ARG  82   0.619   2.317 -16.953
  642   1HB   ARG  82          2HB       ARG  82   0.285   3.475 -14.185
  643   2HB   ARG  82          1HB       ARG  82   1.304   2.086 -14.535
  644   1HG   ARG  82          2HG       ARG  82   2.263   3.815 -16.348
  645   2HG   ARG  82          1HG       ARG  82   1.736   4.946 -15.099
  646   1HD   ARG  82          2HD       ARG  82   3.593   4.502 -13.965
  647   2HD   ARG  82          1HD       ARG  82   3.044   2.837 -13.773
  648    HE   ARG  82           HE       ARG  82   4.153   2.681 -16.162
  649   1HH1  ARG  82          1HH1      ARG  82   5.303   4.326 -13.313
  650   2HH1  ARG  82          2HH1      ARG  82   6.975   4.101 -13.701
  651   1HH2  ARG  82          1HH2      ARG  82   6.352   2.377 -16.679
  652   2HH2  ARG  82          2HH2      ARG  82   7.573   2.992 -15.615
  653    H    SER  83           H        SER  83   0.538   0.523 -14.855
  654    HA   SER  83           HA       SER  83  -2.203  -0.537 -15.071
  655   1HB   SER  83          2HB       SER  83   0.336  -2.137 -14.700
  656   2HB   SER  83          1HB       SER  83  -1.279  -2.767 -15.026
  657    HG   SER  83           HG       SER  83  -0.277  -0.925 -16.845
  658    H    HIS  84           H        HIS  84  -3.183  -1.416 -13.273
  659    HA   HIS  84           HA       HIS  84  -1.812  -1.718 -10.775
  660   1HB   HIS  84          2HB       HIS  84  -2.597   0.852 -11.292
  661   2HB   HIS  84          1HB       HIS  84  -3.994   0.223 -10.425
  662    HD2  HIS  84           2HD      HIS  84  -0.193   0.919  -9.822
  663    HE1  HIS  84           1HE      HIS  84  -2.131   0.308  -6.109
  664    HE2  HIS  84           2HE      HIS  84   0.081   0.804  -7.245
  665    H    HIS  85           H        HIS  85  -4.938  -1.326 -12.394
  666    HA   HIS  85           HA       HIS  85  -5.855  -3.841 -11.336
  667   1HB   HIS  85          2HB       HIS  85  -6.326  -1.910  -9.608
  668   2HB   HIS  85          1HB       HIS  85  -7.653  -1.534 -10.702
  669    HD2  HIS  85           2HD      HIS  85  -9.179  -2.331  -8.351
  670    HE1  HIS  85           1HE      HIS  85  -8.652  -6.430  -9.262
  671    HE2  HIS  85           2HE      HIS  85  -9.817  -4.770  -7.741
  672    H    HIS  86           H        HIS  86  -7.957  -4.469 -12.240
  673    HA   HIS  86           HA       HIS  86  -8.175  -3.585 -14.976
  674   1HB   HIS  86          2HB       HIS  86  -8.565  -5.992 -13.758
  675   2HB   HIS  86          1HB       HIS  86 -10.224  -5.431 -13.938
  676    HD2  HIS  86           2HD      HIS  86 -10.981  -4.890 -16.656
  677    HE1  HIS  86           1HE      HIS  86  -7.902  -7.354 -18.192
  678    HE2  HIS  86           2HE      HIS  86  -9.955  -5.984 -18.772
  679    H    HIS  87           H        HIS  87  -8.848  -1.389 -14.513
  680    HA   HIS  87           HA       HIS  87 -11.754  -1.226 -14.137
  681   1HB   HIS  87          2HB       HIS  87  -9.681  -0.003 -12.474
  682   2HB   HIS  87          1HB       HIS  87 -10.849   1.162 -13.087
  683    HD2  HIS  87           2HD      HIS  87 -12.095   1.520 -10.664
  684    HE1  HIS  87           1HE      HIS  87 -13.414  -2.485 -10.290
  685    HE2  HIS  87           2HE      HIS  87 -13.701  -0.112  -9.443
  686    H    HIS  88           H        HIS  88 -12.227   1.374 -14.541
  687    HA   HIS  88           HA       HIS  88 -11.313   1.765 -17.296
  688   1HB   HIS  88          2HB       HIS  88 -13.220   3.489 -17.295
  689   2HB   HIS  88          1HB       HIS  88 -13.663   1.788 -17.222
  690    HD2  HIS  88           2HD      HIS  88 -12.849   4.318 -14.289
  691    HE1  HIS  88           1HE      HIS  88 -16.550   2.387 -13.599
  692    HE2  HIS  88           2HE      HIS  88 -14.784   3.913 -12.610
  693    H    HIS  89           H        HIS  89 -11.655   4.397 -17.717
  694    HA   HIS  89           HA       HIS  89 -10.560   6.386 -17.612
  695   1HB   HIS  89          2HB       HIS  89 -11.181   5.726 -14.782
  696   2HB   HIS  89          1HB       HIS  89 -10.029   7.028 -15.060
  697    HD2  HIS  89           2HD      HIS  89 -13.805   6.228 -15.604
  698    HE1  HIS  89           1HE      HIS  89 -13.122  10.341 -16.337
  699    HE2  HIS  89           2HE      HIS  89 -14.885   8.564 -15.934
  Start of MODEL   31
    1   1H    MET   1          1HT       MET   1 -11.040  -5.022  14.447
    2   2H    MET   1          2HT       MET   1  -9.781  -5.964  15.073
    3   3H    MET   1          3HT       MET   1  -9.436  -4.505  14.290
    4    HA   MET   1           HA       MET   1  -9.914  -3.245  16.059
    5   1HB   MET   1          2HB       MET   1 -11.756  -3.788  17.615
    6   2HB   MET   1          1HB       MET   1 -12.281  -3.790  15.936
    7   1HG   MET   1          2HG       MET   1 -12.894  -5.925  16.022
    8   2HG   MET   1          1HG       MET   1 -11.404  -6.408  16.829
    9   1HE   MET   1          1HE       MET   1 -12.767  -7.942  19.581
   10   2HE   MET   1          2HE       MET   1 -12.384  -8.112  17.867
   11   3HE   MET   1          3HE       MET   1 -14.065  -8.102  18.397
   12    H    ARG   2           H        ARG   2  -8.704  -6.294  15.970
   13    HA   ARG   2           HA       ARG   2  -7.742  -6.134  18.750
   14   1HB   ARG   2          2HB       ARG   2  -8.294  -8.591  17.082
   15   2HB   ARG   2          1HB       ARG   2  -7.482  -8.619  18.641
   16   1HG   ARG   2          2HG       ARG   2  -9.698  -7.283  19.329
   17   2HG   ARG   2          1HG       ARG   2 -10.334  -8.245  17.992
   18   1HD   ARG   2          2HD       ARG   2 -10.177 -10.173  19.140
   19   2HD   ARG   2          1HD       ARG   2  -8.637  -9.726  19.875
   20    HE   ARG   2           HE       ARG   2 -11.245  -9.410  21.010
   21   1HH1  ARG   2          1HH1      ARG   2  -8.008  -8.122  20.957
   22   2HH1  ARG   2          2HH1      ARG   2  -8.123  -7.420  22.536
   23   1HH2  ARG   2          1HH2      ARG   2 -11.407  -8.486  23.090
   24   2HH2  ARG   2          2HH2      ARG   2 -10.054  -7.626  23.748
   25    H    GLY   3           H        GLY   3  -6.817  -7.886  15.777
   26   1HA   GLY   3          2HA       GLY   3  -4.764  -7.001  14.634
   27   2HA   GLY   3          1HA       GLY   3  -4.052  -6.949  16.239
   28    H    SER   4           H        SER   4  -5.701  -9.264  14.089
   29    HA   SER   4           HA       SER   4  -4.513 -11.547  15.276
   30   1HB   SER   4          2HB       SER   4  -5.228 -12.038  12.532
   31   2HB   SER   4          1HB       SER   4  -6.024 -12.601  14.001
   32    HG   SER   4           HG       SER   4  -7.196 -11.136  12.420
   33    H    ASN   5           H        ASN   5  -2.335 -11.608  15.344
   34    HA   ASN   5           HA       ASN   5  -0.827 -11.034  12.901
   35   1HB   ASN   5          2HB       ASN   5  -0.351 -10.516  15.639
   36   2HB   ASN   5          1HB       ASN   5   0.853 -11.699  15.135
   37   1HD2  ASN   5          1HD2      ASN   5   2.520 -10.210  15.320
   38   2HD2  ASN   5          2HD2      ASN   5   2.747  -8.935  14.177
   39    H    ALA   6           H        ALA   6  -0.346 -13.366  15.549
   40    HA   ALA   6           HA       ALA   6   0.302 -15.549  15.553
   41   1HB   ALA   6          1HB       ALA   6  -1.977 -15.768  14.580
   42   2HB   ALA   6          2HB       ALA   6  -0.866 -17.044  14.079
   43   3HB   ALA   6          3HB       ALA   6  -1.250 -15.724  12.973
   44    HA   PRO   7           HA       PRO   7   3.988 -14.689  12.931
   45   1HB   PRO   7          2HB       PRO   7   5.021 -16.698  14.871
   46   2HB   PRO   7          1HB       PRO   7   5.739 -15.174  14.338
   47   1HG   PRO   7          2HG       PRO   7   4.620 -15.373  16.744
   48   2HG   PRO   7          1HG       PRO   7   4.435 -13.902  15.771
   49   1HD   PRO   7          2HD       PRO   7   2.479 -16.101  16.277
   50   2HD   PRO   7          1HD       PRO   7   2.198 -14.355  16.116
   51    H    GLN   8           H        GLN   8   4.962 -15.918  11.351
   52    HA   GLN   8           HA       GLN   8   5.143 -17.555   9.789
   53   1HB   GLN   8          2HB       GLN   8   4.719 -19.375  12.164
   54   2HB   GLN   8          1HB       GLN   8   5.368 -19.859  10.603
   55   1HG   GLN   8          2HG       GLN   8   7.291 -18.410  10.934
   56   2HG   GLN   8          1HG       GLN   8   6.636 -17.881  12.484
   57   1HE2  GLN   8          1HE2      GLN   8   6.474 -19.427  14.186
   58   2HE2  GLN   8          2HE2      GLN   8   7.523 -20.799  14.225
   59    HA   PRO   9           HA       PRO   9   0.544 -18.243   9.618
   60   1HB   PRO   9          2HB       PRO   9  -0.086 -16.482   7.704
   61   2HB   PRO   9          1HB       PRO   9   0.120 -15.976   9.384
   62   1HG   PRO   9          2HG       PRO   9   2.005 -15.716   7.080
   63   2HG   PRO   9          1HG       PRO   9   1.650 -14.558   8.373
   64   1HD   PRO   9          2HD       PRO   9   3.847 -16.235   8.319
   65   2HD   PRO   9          1HD       PRO   9   3.170 -15.500   9.786
   66    H    SER  10           H        SER  10  -0.700 -18.274   7.225
   67    HA   SER  10           HA       SER  10   0.703 -20.394   5.819
   68   1HB   SER  10          2HB       SER  10  -2.010 -19.347   5.049
   69   2HB   SER  10          1HB       SER  10  -1.364 -20.980   4.883
   70    HG   SER  10           HG       SER  10  -2.929 -20.297   6.723
   71    H    HIS  11           H        HIS  11  -0.694 -17.215   5.116
   72    HA   HIS  11           HA       HIS  11   0.184 -17.195   2.390
   73   1HB   HIS  11          2HB       HIS  11  -0.371 -14.608   3.726
   74   2HB   HIS  11          1HB       HIS  11  -0.978 -15.241   2.198
   75    HD2  HIS  11           2HD      HIS  11  -2.992 -17.397   2.715
   76    HE1  HIS  11           1HE      HIS  11  -4.286 -15.323   6.169
   77    HE2  HIS  11           2HE      HIS  11  -4.779 -17.241   4.588
   78    H    ILE  12           H        ILE  12   1.134 -14.435   2.410
   79    HA   ILE  12           HA       ILE  12   3.913 -14.919   2.641
   80    HB   ILE  12           HB       ILE  12   2.890 -13.244   1.095
   81   1HG1  ILE  12          2HG1      ILE  12   4.626 -11.407   2.459
   82   2HG1  ILE  12          1HG1      ILE  12   5.280 -13.038   2.607
   83   1HG2  ILE  12          1HG2      ILE  12   1.469 -11.736   1.887
   84   2HG2  ILE  12          2HG2      ILE  12   2.785 -10.999   2.803
   85   3HG2  ILE  12          3HG2      ILE  12   1.797 -12.262   3.539
   86   1HD1  ILE  12          1HD1      ILE  12   6.134 -12.801   0.585
   87   2HD1  ILE  12          2HD1      ILE  12   5.286 -11.274   0.353
   88   3HD1  ILE  12          3HD1      ILE  12   4.493 -12.794  -0.057
   89    H    SER  13           H        SER  13   5.418 -13.851   4.064
   90    HA   SER  13           HA       SER  13   4.777 -14.026   6.772
   91   1HB   SER  13          2HB       SER  13   7.039 -12.853   5.215
   92   2HB   SER  13          1HB       SER  13   6.895 -12.412   6.917
   93    HG   SER  13           HG       SER  13   7.705 -14.281   7.371
   94    H    LYS  14           H        LYS  14   5.180 -11.139   4.734
   95    HA   LYS  14           HA       LYS  14   3.013  -9.744   5.837
   96   1HB   LYS  14          2HB       LYS  14   4.406  -7.961   7.010
   97   2HB   LYS  14          1HB       LYS  14   4.187  -9.482   7.859
   98   1HG   LYS  14          2HG       LYS  14   6.387  -9.533   8.118
   99   2HG   LYS  14          1HG       LYS  14   6.508  -9.842   6.384
  100   1HD   LYS  14          2HD       LYS  14   7.024  -7.651   5.894
  101   2HD   LYS  14          1HD       LYS  14   6.225  -7.031   7.340
  102   1HE   LYS  14          2HE       LYS  14   8.860  -7.118   7.137
  103   2HE   LYS  14          1HE       LYS  14   8.038  -7.402   8.671
  104   1HZ   LYS  14          1HZ       LYS  14   8.330  -9.706   8.469
  105   2HZ   LYS  14          2HZ       LYS  14   9.821  -9.045   8.019
  106   3HZ   LYS  14          3HZ       LYS  14   8.756  -9.611   6.834
  107    H    TYR  15           H        TYR  15   2.599  -7.805   4.759
  108    HA   TYR  15           HA       TYR  15   4.401  -7.216   2.500
  109   1HB   TYR  15          2HB       TYR  15   1.463  -6.865   2.958
  110   2HB   TYR  15          1HB       TYR  15   2.275  -5.722   1.904
  111    HD1  TYR  15           1HD      TYR  15   3.341  -9.240   2.033
  112    HD2  TYR  15           2HD      TYR  15   0.944  -6.371   0.002
  113    HE1  TYR  15           1HE      TYR  15   3.077 -10.797   0.148
  114    HE2  TYR  15           2HE      TYR  15   0.674  -7.921  -1.885
  115    HH   TYR  15           HH       TYR  15   1.853 -11.224  -1.733
  116    H    ILE  16           H        ILE  16   5.265  -5.139   2.255
  117    HA   ILE  16           HA       ILE  16   4.769  -3.330   4.528
  118    HB   ILE  16           HB       ILE  16   7.291  -3.799   2.950
  119   1HG1  ILE  16          2HG1      ILE  16   6.851  -5.238   4.915
  120   2HG1  ILE  16          1HG1      ILE  16   8.257  -4.207   5.154
  121   1HG2  ILE  16          1HG2      ILE  16   8.081  -1.892   4.634
  122   2HG2  ILE  16          2HG2      ILE  16   6.407  -1.372   4.418
  123   3HG2  ILE  16          3HG2      ILE  16   7.470  -1.529   3.020
  124   1HD1  ILE  16          1HD1      ILE  16   6.252  -2.689   6.212
  125   2HD1  ILE  16          2HD1      ILE  16   7.329  -3.745   7.127
  126   3HD1  ILE  16          3HD1      ILE  16   5.742  -4.326   6.622
  127    H    LEU  17           H        LEU  17   4.122  -1.329   4.158
  128    HA   LEU  17           HA       LEU  17   4.151  -0.348   1.383
  129   1HB   LEU  17          2HB       LEU  17   1.894  -0.979   2.686
  130   2HB   LEU  17          1HB       LEU  17   2.107   0.653   3.287
  131    HG   LEU  17           HG       LEU  17   2.466   0.746   0.475
  132   1HD1  LEU  17          1HD1      LEU  17   1.247  -1.432   0.497
  133   2HD1  LEU  17          2HD1      LEU  17   0.418  -0.143  -0.378
  134   3HD1  LEU  17          3HD1      LEU  17  -0.119  -0.598   1.239
  135   1HD2  LEU  17          1HD2      LEU  17   1.673   2.589   1.814
  136   2HD2  LEU  17          2HD2      LEU  17   0.236   1.678   2.280
  137   3HD2  LEU  17          3HD2      LEU  17   0.457   2.182   0.604
  138    H    ARG  18           H        ARG  18   5.566   1.260   1.238
  139    HA   ARG  18           HA       ARG  18   5.947   2.988   3.580
  140   1HB   ARG  18          2HB       ARG  18   7.820   2.460   1.268
  141   2HB   ARG  18          1HB       ARG  18   8.153   3.533   2.620
  142   1HG   ARG  18          2HG       ARG  18   8.808   1.852   3.918
  143   2HG   ARG  18          1HG       ARG  18   7.403   0.871   3.494
  144   1HD   ARG  18          2HD       ARG  18   9.006  -0.437   2.559
  145   2HD   ARG  18          1HD       ARG  18   8.757   0.664   1.205
  146    HE   ARG  18           HE       ARG  18  10.880   1.169   3.176
  147   1HH1  ARG  18          1HH1      ARG  18   9.848   0.578  -0.101
  148   2HH1  ARG  18          2HH1      ARG  18  11.392   0.952  -0.790
  149   1HH2  ARG  18          1HH2      ARG  18  12.915   1.665   2.274
  150   2HH2  ARG  18          2HH2      ARG  18  13.135   1.571   0.559
  151    H    TRP  19           H        TRP  19   5.407   5.075   3.461
  152    HA   TRP  19           HA       TRP  19   5.252   6.325   0.834
  153   1HB   TRP  19          2HB       TRP  19   3.029   6.960   0.913
  154   2HB   TRP  19          1HB       TRP  19   2.972   5.339   1.590
  155    HD1  TRP  19           HD       TRP  19   2.572   9.016   2.577
  156    HE1  TRP  19           1HE      TRP  19   1.390   9.124   4.862
  157    HE3  TRP  19           3HE      TRP  19   2.588   4.037   3.738
  158    HZ2  TRP  19           2HZ      TRP  19   0.570   7.335   6.886
  159    HZ3  TRP  19           3HZ      TRP  19   1.583   3.317   5.865
  160    HH2  TRP  19           HH       TRP  19   0.596   4.934   7.407
  161    H    ARG  20           H        ARG  20   5.667   8.444   0.767
  162    HA   ARG  20           HA       ARG  20   5.796  10.031   3.183
  163   1HB   ARG  20          2HB       ARG  20   7.989   9.746   3.533
  164   2HB   ARG  20          1HB       ARG  20   8.129   8.746   2.098
  165   1HG   ARG  20          2HG       ARG  20   8.031  11.683   1.706
  166   2HG   ARG  20          1HG       ARG  20   9.495  10.996   2.412
  167   1HD   ARG  20          2HD       ARG  20   9.059   9.283   0.357
  168   2HD   ARG  20          1HD       ARG  20   8.429  10.784  -0.321
  169    HE   ARG  20           HE       ARG  20  11.194  10.302   0.543
  170   1HH1  ARG  20          1HH1      ARG  20   8.823  12.287  -1.064
  171   2HH1  ARG  20          2HH1      ARG  20   9.999  13.321  -1.801
  172   1HH2  ARG  20          1HH2      ARG  20  12.752  11.659  -0.427
  173   2HH2  ARG  20          2HH2      ARG  20  12.233  12.965  -1.439
  174    HA   PRO  21           HA       PRO  21   4.434  13.172   0.411
  175   1HB   PRO  21          2HB       PRO  21   6.184  15.004   1.975
  176   2HB   PRO  21          1HB       PRO  21   4.461  15.137   1.605
  177   1HG   PRO  21          2HG       PRO  21   5.246  14.428   4.037
  178   2HG   PRO  21          1HG       PRO  21   3.855  13.633   3.272
  179   1HD   PRO  21          2HD       PRO  21   6.658  12.637   3.597
  180   2HD   PRO  21          1HD       PRO  21   5.125  11.759   3.767
  181    H    LYS  22           H        LYS  22   5.182  13.240  -1.576
  182    HA   LYS  22           HA       LYS  22   7.850  13.043  -2.380
  183   1HB   LYS  22          2HB       LYS  22   5.317  13.884  -3.722
  184   2HB   LYS  22          1HB       LYS  22   6.831  14.124  -4.565
  185   1HG   LYS  22          2HG       LYS  22   6.067  11.461  -3.421
  186   2HG   LYS  22          1HG       LYS  22   5.563  11.973  -5.033
  187   1HD   LYS  22          2HD       LYS  22   8.444  12.064  -4.197
  188   2HD   LYS  22          1HD       LYS  22   7.715  10.578  -4.811
  189   1HE   LYS  22          2HE       LYS  22   7.546  11.373  -6.926
  190   2HE   LYS  22          1HE       LYS  22   7.251  13.028  -6.396
  191   1HZ   LYS  22          1HZ       LYS  22   9.337  13.310  -7.158
  192   2HZ   LYS  22          2HZ       LYS  22   9.764  11.684  -6.969
  193   3HZ   LYS  22          3HZ       LYS  22   9.774  12.721  -5.633
  194    H    ASN  23           H        ASN  23   6.129  15.737  -1.180
  195    HA   ASN  23           HA       ASN  23   7.844  17.712  -2.432
  196   1HB   ASN  23          2HB       ASN  23   6.512  19.352  -1.178
  197   2HB   ASN  23          1HB       ASN  23   5.481  18.242  -2.074
  198   1HD2  ASN  23          1HD2      ASN  23   3.905  17.269  -1.014
  199   2HD2  ASN  23          2HD2      ASN  23   3.746  17.184   0.704
  200    H    SER  24           H        SER  24   7.823  15.814   0.404
  201    HA   SER  24           HA       SER  24   9.455  17.607   1.977
  202   1HB   SER  24          2HB       SER  24   7.796  15.433   2.550
  203   2HB   SER  24          1HB       SER  24   9.423  14.855   2.905
  204    HG   SER  24           HG       SER  24   8.215  17.216   3.919
  205    H    VAL  25           H        VAL  25  11.272  15.894   3.147
  206    HA   VAL  25           HA       VAL  25  13.166  15.473   0.940
  207    HB   VAL  25           HB       VAL  25  14.909  15.477   2.736
  208   1HG1  VAL  25          1HG1      VAL  25  13.426  17.662   1.670
  209   2HG1  VAL  25          2HG1      VAL  25  15.130  17.597   2.122
  210   3HG1  VAL  25          3HG1      VAL  25  13.919  18.063   3.316
  211   1HG2  VAL  25          1HG2      VAL  25  12.825  15.075   4.448
  212   2HG2  VAL  25          2HG2      VAL  25  13.147  16.794   4.670
  213   3HG2  VAL  25          3HG2      VAL  25  14.435  15.616   4.924
  214    H    GLY  26           H        GLY  26  11.469  13.867   3.506
  215   1HA   GLY  26          2HA       GLY  26  11.851  11.297   2.487
  216   2HA   GLY  26          1HA       GLY  26  13.076  11.551   3.722
  217    H    ARG  27           H        ARG  27  12.475  10.521   5.501
  218    HA   ARG  27           HA       ARG  27  11.243   9.775   7.258
  219   1HB   ARG  27          2HB       ARG  27  10.153  12.463   6.669
  220   2HB   ARG  27          1HB       ARG  27   9.158  11.435   7.691
  221   1HG   ARG  27          2HG       ARG  27  10.507  12.733   9.132
  222   2HG   ARG  27          1HG       ARG  27  11.179  11.102   9.147
  223   1HD   ARG  27          2HD       ARG  27  12.726  11.983   7.266
  224   2HD   ARG  27          1HD       ARG  27  12.253  13.578   7.851
  225    HE   ARG  27           HE       ARG  27  13.581  13.262   9.685
  226   1HH1  ARG  27          1HH1      ARG  27  13.054  10.187   8.128
  227   2HH1  ARG  27          2HH1      ARG  27  14.193   9.344   9.124
  228   1HH2  ARG  27          1HH2      ARG  27  15.084  12.159  10.996
  229   2HH2  ARG  27          2HH2      ARG  27  15.346  10.464  10.755
  230    H    TRP  28           H        TRP  28  10.722   8.149   5.426
  231    HA   TRP  28           HA       TRP  28   8.165   8.089   4.252
  232   1HB   TRP  28          2HB       TRP  28  10.177   5.932   4.873
  233   2HB   TRP  28          1HB       TRP  28   8.648   5.580   4.077
  234    HD1  TRP  28           HD       TRP  28  11.959   7.442   3.487
  235    HE1  TRP  28           1HE      TRP  28  12.277   7.746   0.951
  236    HE3  TRP  28           3HE      TRP  28   7.426   5.703   1.884
  237    HZ2  TRP  28           2HZ      TRP  28  10.803   7.306  -1.414
  238    HZ3  TRP  28           3HZ      TRP  28   6.958   5.681  -0.534
  239    HH2  TRP  28           HH       TRP  28   8.615   6.460  -2.146
  240    H    LYS  29           H        LYS  29   6.837   5.900   4.751
  241    HA   LYS  29           HA       LYS  29   6.334   5.772   7.643
  242   1HB   LYS  29          2HB       LYS  29   4.394   6.389   5.445
  243   2HB   LYS  29          1HB       LYS  29   3.836   5.503   6.858
  244   1HG   LYS  29          2HG       LYS  29   5.376   7.991   7.324
  245   2HG   LYS  29          1HG       LYS  29   3.731   8.144   6.706
  246   1HD   LYS  29          2HD       LYS  29   2.810   7.482   8.651
  247   2HD   LYS  29          1HD       LYS  29   4.041   6.246   8.924
  248   1HE   LYS  29          2HE       LYS  29   3.972   8.176  10.575
  249   2HE   LYS  29          1HE       LYS  29   5.539   7.793   9.863
  250   1HZ   LYS  29          1HZ       LYS  29   4.631  10.245   9.969
  251   2HZ   LYS  29          2HZ       LYS  29   3.887   9.796   8.517
  252   3HZ   LYS  29          3HZ       LYS  29   5.570   9.707   8.668
  253    H    GLU  30           H        GLU  30   5.411   3.748   8.351
  254    HA   GLU  30           HA       GLU  30   5.747   1.605   6.355
  255   1HB   GLU  30          2HB       GLU  30   6.162   1.125   9.281
  256   2HB   GLU  30          1HB       GLU  30   6.794   0.228   7.909
  257   1HG   GLU  30          2HG       GLU  30   8.684   1.356   8.056
  258   2HG   GLU  30          1HG       GLU  30   7.816   2.855   7.731
  259    H    ALA  31           H        ALA  31   4.207   0.158   6.101
  260    HA   ALA  31           HA       ALA  31   2.096  -0.163   8.102
  261   1HB   ALA  31          1HB       ALA  31   1.638   1.442   5.955
  262   2HB   ALA  31          2HB       ALA  31   0.388   0.529   6.800
  263   3HB   ALA  31          3HB       ALA  31   1.114  -0.123   5.332
  264    H    THR  32           H        THR  32   2.013  -2.298   8.532
  265    HA   THR  32           HA       THR  32   2.871  -4.148   6.422
  266    HB   THR  32           HB       THR  32   2.688  -4.668   9.387
  267    HG1  THR  32           1HG      THR  32   4.388  -3.262   8.985
  268   1HG2  THR  32          1HG2      THR  32   4.076  -6.666   8.778
  269   2HG2  THR  32          2HG2      THR  32   3.751  -6.302   7.082
  270   3HG2  THR  32          3HG2      THR  32   2.421  -6.716   8.166
  271    H    ILE  33           H        ILE  33   1.524  -5.481   5.493
  272    HA   ILE  33           HA       ILE  33  -0.870  -6.408   6.901
  273    HB   ILE  33           HB       ILE  33  -1.324  -5.875   4.041
  274   1HG1  ILE  33          2HG1      ILE  33  -2.003  -3.413   5.075
  275   2HG1  ILE  33          1HG1      ILE  33  -0.441  -3.723   5.824
  276   1HG2  ILE  33          1HG2      ILE  33  -3.116  -6.717   5.338
  277   2HG2  ILE  33          2HG2      ILE  33  -3.498  -5.032   4.982
  278   3HG2  ILE  33          3HG2      ILE  33  -2.893  -5.483   6.577
  279   1HD1  ILE  33          1HD1      ILE  33  -0.994  -2.806   3.212
  280   2HD1  ILE  33          2HD1      ILE  33  -0.257  -4.403   3.077
  281   3HD1  ILE  33          3HD1      ILE  33   0.573  -3.120   3.959
  282    HA   PRO  34           HA       PRO  34   1.185  -9.994   4.989
  283   1HB   PRO  34          2HB       PRO  34  -0.083 -11.877   6.470
  284   2HB   PRO  34          1HB       PRO  34   1.302 -10.957   7.067
  285   1HG   PRO  34          2HG       PRO  34  -1.615 -10.525   7.570
  286   2HG   PRO  34          1HG       PRO  34  -0.257 -10.462   8.710
  287   1HD   PRO  34          2HD       PRO  34  -1.379  -8.232   7.660
  288   2HD   PRO  34          1HD       PRO  34   0.345  -8.330   8.070
  289    H    GLY  35           H        GLY  35   0.387 -10.188   2.960
  290   1HA   GLY  35          2HA       GLY  35  -0.925 -11.020   1.266
  291   2HA   GLY  35          1HA       GLY  35  -1.771 -11.961   2.484
  292    H    HIS  36           H        HIS  36  -2.134  -9.623   0.198
  293    HA   HIS  36           HA       HIS  36  -3.735  -7.644   1.184
  294   1HB   HIS  36          2HB       HIS  36  -5.031  -8.029  -1.112
  295   2HB   HIS  36          1HB       HIS  36  -3.405  -7.357  -1.063
  296    HD2  HIS  36           2HD      HIS  36  -4.623 -11.121  -1.141
  297    HE1  HIS  36           1HE      HIS  36  -1.671 -10.453  -4.098
  298    HE2  HIS  36           2HE      HIS  36  -3.061 -12.206  -2.905
  299    H    LEU  37           H        LEU  37  -5.207  -7.979   2.721
  300    HA   LEU  37           HA       LEU  37  -6.994 -10.242   2.669
  301   1HB   LEU  37          2HB       LEU  37  -7.344  -7.907   4.503
  302   2HB   LEU  37          1HB       LEU  37  -7.643  -9.608   4.805
  303    HG   LEU  37           HG       LEU  37  -4.823  -8.851   4.315
  304   1HD1  LEU  37          1HD1      LEU  37  -4.468  -8.012   6.539
  305   2HD1  LEU  37          2HD1      LEU  37  -6.183  -8.180   6.916
  306   3HD1  LEU  37          3HD1      LEU  37  -5.656  -6.998   5.719
  307   1HD2  LEU  37          1HD2      LEU  37  -6.367 -10.936   5.620
  308   2HD2  LEU  37          2HD2      LEU  37  -5.032 -10.352   6.612
  309   3HD2  LEU  37          3HD2      LEU  37  -4.721 -10.970   4.990
  310    H    ASN  38           H        ASN  38  -7.104  -6.837   1.917
  311    HA   ASN  38           HA       ASN  38  -9.299  -7.021   0.200
  312   1HB   ASN  38          2HB       ASN  38 -11.110  -6.097   1.424
  313   2HB   ASN  38          1HB       ASN  38 -10.457  -7.369   2.451
  314   1HD2  ASN  38          1HD2      ASN  38  -8.237  -6.083   3.477
  315   2HD2  ASN  38          2HD2      ASN  38  -8.755  -4.787   4.495
  316    H    SER  39           H        SER  39 -10.402  -4.417   0.618
  317    HA   SER  39           HA       SER  39  -8.273  -2.847  -0.503
  318   1HB   SER  39          2HB       SER  39 -11.192  -2.426   0.005
  319   2HB   SER  39          1HB       SER  39 -10.170  -1.019  -0.288
  320    HG   SER  39           HG       SER  39 -10.748  -1.597  -2.281
  321    H    TYR  40           H        TYR  40  -6.728  -2.174   0.851
  322    HA   TYR  40           HA       TYR  40  -7.451  -1.250   3.525
  323   1HB   TYR  40          2HB       TYR  40  -5.527  -2.843   3.142
  324   2HB   TYR  40          1HB       TYR  40  -4.675  -1.520   2.355
  325    HD1  TYR  40           1HD      TYR  40  -5.694  -2.973   5.517
  326    HD2  TYR  40           2HD      TYR  40  -4.006   0.475   3.681
  327    HE1  TYR  40           1HE      TYR  40  -4.874  -2.214   7.706
  328    HE2  TYR  40           2HE      TYR  40  -3.181   1.242   5.865
  329    HH   TYR  40           HH       TYR  40  -3.376   0.936   8.116
  330    H    THR  41           H        THR  41  -7.952   0.801   3.781
  331    HA   THR  41           HA       THR  41  -6.858   2.807   1.951
  332    HB   THR  41           HB       THR  41  -9.327   2.716   2.309
  333    HG1  THR  41           1HG      THR  41  -8.461   5.171   3.363
  334   1HG2  THR  41          1HG2      THR  41  -8.473   2.930   5.097
  335   2HG2  THR  41          2HG2      THR  41 -10.002   2.365   4.422
  336   3HG2  THR  41          3HG2      THR  41  -9.726   4.090   4.655
  337    H    ILE  42           H        ILE  42  -5.821   4.675   2.681
  338    HA   ILE  42           HA       ILE  42  -4.580   4.389   5.321
  339    HB   ILE  42           HB       ILE  42  -3.799   6.081   2.944
  340   1HG1  ILE  42          2HG1      ILE  42  -1.837   4.193   3.933
  341   2HG1  ILE  42          1HG1      ILE  42  -3.344   3.380   3.522
  342   1HG2  ILE  42          1HG2      ILE  42  -2.441   7.287   4.223
  343   2HG2  ILE  42          2HG2      ILE  42  -1.776   5.839   4.979
  344   3HG2  ILE  42          3HG2      ILE  42  -3.238   6.581   5.629
  345   1HD1  ILE  42          1HD1      ILE  42  -1.328   4.586   1.797
  346   2HD1  ILE  42          2HD1      ILE  42  -2.986   5.017   1.376
  347   3HD1  ILE  42          3HD1      ILE  42  -2.509   3.321   1.459
  348    H    LYS  43           H        LYS  43  -5.443   5.474   6.916
  349    HA   LYS  43           HA       LYS  43  -7.070   6.905   7.858
  350   1HB   LYS  43          2HB       LYS  43  -4.920   8.908   7.296
  351   2HB   LYS  43          1HB       LYS  43  -5.820   8.628   8.780
  352   1HG   LYS  43          2HG       LYS  43  -3.821   6.674   7.675
  353   2HG   LYS  43          1HG       LYS  43  -3.407   7.947   8.824
  354   1HD   LYS  43          2HD       LYS  43  -3.902   6.434  10.404
  355   2HD   LYS  43          1HD       LYS  43  -5.588   6.775  10.003
  356   1HE   LYS  43          2HE       LYS  43  -5.863   4.813   8.898
  357   2HE   LYS  43          1HE       LYS  43  -4.202   4.790   8.308
  358   1HZ   LYS  43          1HZ       LYS  43  -5.120   3.188  10.232
  359   2HZ   LYS  43          2HZ       LYS  43  -4.510   4.455  11.171
  360   3HZ   LYS  43          3HZ       LYS  43  -3.496   3.644  10.088
  361    H    GLY  44           H        GLY  44  -5.607   9.524   6.077
  362   1HA   GLY  44          2HA       GLY  44  -7.496   9.830   4.028
  363   2HA   GLY  44          1HA       GLY  44  -8.077  10.706   5.436
  364    H    LEU  45           H        LEU  45  -6.034  10.777   2.735
  365    HA   LEU  45           HA       LEU  45  -4.196  12.759   3.656
  366   1HB   LEU  45          2HB       LEU  45  -4.908  12.074   0.794
  367   2HB   LEU  45          1HB       LEU  45  -3.463  12.896   1.355
  368    HG   LEU  45           HG       LEU  45  -2.642  10.785   0.985
  369   1HD1  LEU  45          1HD1      LEU  45  -2.525  11.521   3.473
  370   2HD1  LEU  45          2HD1      LEU  45  -2.042   9.887   3.018
  371   3HD1  LEU  45          3HD1      LEU  45  -3.629  10.169   3.734
  372   1HD2  LEU  45          1HD2      LEU  45  -4.442   9.550   0.253
  373   2HD2  LEU  45          2HD2      LEU  45  -5.385   9.860   1.711
  374   3HD2  LEU  45          3HD2      LEU  45  -4.032   8.730   1.759
  375    H    LYS  46           H        LYS  46  -4.080  14.773   1.922
  376    HA   LYS  46           HA       LYS  46  -6.712  15.966   1.600
  377   1HB   LYS  46          2HB       LYS  46  -5.269  18.045   2.778
  378   2HB   LYS  46          1HB       LYS  46  -6.622  17.171   3.478
  379   1HG   LYS  46          2HG       LYS  46  -5.304  15.971   4.875
  380   2HG   LYS  46          1HG       LYS  46  -3.940  15.945   3.754
  381   1HD   LYS  46          2HD       LYS  46  -3.339  18.173   4.322
  382   2HD   LYS  46          1HD       LYS  46  -4.845  18.416   5.207
  383   1HE   LYS  46          2HE       LYS  46  -2.644  16.502   5.967
  384   2HE   LYS  46          1HE       LYS  46  -2.956  18.065   6.722
  385   1HZ   LYS  46          1HZ       LYS  46  -4.352  15.541   7.039
  386   2HZ   LYS  46          2HZ       LYS  46  -5.344  16.908   6.949
  387   3HZ   LYS  46          3HZ       LYS  46  -4.146  16.811   8.139
  388    HA   PRO  47           HA       PRO  47  -5.126  17.931  -1.990
  389   1HB   PRO  47          2HB       PRO  47  -6.010  20.562  -0.924
  390   2HB   PRO  47          1HB       PRO  47  -6.417  19.770  -2.450
  391   1HG   PRO  47          2HG       PRO  47  -8.183  19.883  -0.458
  392   2HG   PRO  47          1HG       PRO  47  -8.045  18.439  -1.479
  393   1HD   PRO  47          2HD       PRO  47  -7.051  18.901   1.300
  394   2HD   PRO  47          1HD       PRO  47  -7.739  17.433   0.576
  395    H    GLY  48           H        GLY  48  -3.367  19.057  -2.779
  396   1HA   GLY  48          2HA       GLY  48  -1.427  20.308  -2.751
  397   2HA   GLY  48          1HA       GLY  48  -1.887  20.913  -1.169
  398    H    VAL  49           H        VAL  49  -2.080  17.665  -0.873
  399    HA   VAL  49           HA       VAL  49   0.743  17.445  -0.049
  400    HB   VAL  49           HB       VAL  49  -1.280  15.737   1.293
  401   1HG1  VAL  49          1HG1      VAL  49   0.210  15.951   3.161
  402   2HG1  VAL  49          2HG1      VAL  49   1.101  17.246   2.360
  403   3HG1  VAL  49          3HG1      VAL  49   1.163  15.603   1.718
  404   1HG2  VAL  49          1HG2      VAL  49  -1.897  18.376   1.143
  405   2HG2  VAL  49          2HG2      VAL  49  -0.903  18.341   2.600
  406   3HG2  VAL  49          3HG2      VAL  49  -2.337  17.321   2.487
  407    H    VAL  50           H        VAL  50   1.793  16.092  -1.354
  408    HA   VAL  50           HA       VAL  50   0.360  13.903  -2.644
  409    HB   VAL  50           HB       VAL  50   2.992  15.221  -3.135
  410   1HG1  VAL  50          1HG1      VAL  50   2.354  12.365  -3.870
  411   2HG1  VAL  50          2HG1      VAL  50   3.718  12.942  -2.917
  412   3HG1  VAL  50          3HG1      VAL  50   3.621  13.318  -4.639
  413   1HG2  VAL  50          1HG2      VAL  50   0.814  14.150  -4.901
  414   2HG2  VAL  50          2HG2      VAL  50   2.246  15.032  -5.452
  415   3HG2  VAL  50          3HG2      VAL  50   1.043  15.841  -4.440
  416    H    TYR  51           H        TYR  51   0.950  11.749  -2.467
  417    HA   TYR  51           HA       TYR  51   2.912  11.093  -0.394
  418   1HB   TYR  51          2HB       TYR  51   0.018  10.267  -0.361
  419   2HB   TYR  51          1HB       TYR  51   1.256   9.341   0.484
  420    HD1  TYR  51           1HD      TYR  51   2.808  10.778   2.074
  421    HD2  TYR  51           2HD      TYR  51  -1.071  11.951   0.784
  422    HE1  TYR  51           1HE      TYR  51   2.643  12.307   3.992
  423    HE2  TYR  51           2HE      TYR  51  -1.252  13.483   2.699
  424    HH   TYR  51           HH       TYR  51  -0.253  13.702   4.982
  425    H    GLU  52           H        GLU  52   4.348   9.955  -1.496
  426    HA   GLU  52           HA       GLU  52   3.510   8.175  -3.635
  427   1HB   GLU  52          2HB       GLU  52   5.427   9.303  -4.282
  428   2HB   GLU  52          1HB       GLU  52   6.101   9.304  -2.660
  429   1HG   GLU  52          2HG       GLU  52   7.493   7.849  -3.734
  430   2HG   GLU  52          1HG       GLU  52   6.311   6.741  -3.040
  431    H    GLY  53           H        GLY  53   3.280   6.027  -3.403
  432   1HA   GLY  53          2HA       GLY  53   4.217   4.850  -0.864
  433   2HA   GLY  53          1HA       GLY  53   2.731   4.375  -1.669
  434    H    GLN  54           H        GLN  54   5.066   2.821  -0.815
  435    HA   GLN  54           HA       GLN  54   5.602   1.492  -3.371
  436   1HB   GLN  54          2HB       GLN  54   7.560   2.529  -1.399
  437   2HB   GLN  54          1HB       GLN  54   7.875   0.917  -2.025
  438   1HG   GLN  54          2HG       GLN  54   7.281   2.361  -4.287
  439   2HG   GLN  54          1HG       GLN  54   8.182   3.508  -3.297
  440   1HE2  GLN  54          1HE2      GLN  54  10.062   3.542  -4.401
  441   2HE2  GLN  54          2HE2      GLN  54  11.091   2.171  -4.615
  442    H    LEU  55           H        LEU  55   4.716  -0.479  -3.232
  443    HA   LEU  55           HA       LEU  55   4.462  -1.701  -0.583
  444   1HB   LEU  55          2HB       LEU  55   2.399  -1.561  -1.810
  445   2HB   LEU  55          1HB       LEU  55   3.126  -2.321  -3.213
  446    HG   LEU  55           HG       LEU  55   3.302  -4.435  -2.037
  447   1HD1  LEU  55          1HD1      LEU  55   2.087  -4.543   0.238
  448   2HD1  LEU  55          2HD1      LEU  55   2.394  -2.807   0.306
  449   3HD1  LEU  55          3HD1      LEU  55   3.742  -3.936   0.186
  450   1HD2  LEU  55          1HD2      LEU  55   0.732  -4.581  -1.386
  451   2HD2  LEU  55          2HD2      LEU  55   1.275  -4.471  -3.062
  452   3HD2  LEU  55          3HD2      LEU  55   0.700  -3.029  -2.224
  453    H    ILE  56           H        ILE  56   6.156  -2.862  -0.043
  454    HA   ILE  56           HA       ILE  56   7.370  -4.624  -2.055
  455    HB   ILE  56           HB       ILE  56   8.560  -3.409   0.442
  456   1HG1  ILE  56          2HG1      ILE  56  10.241  -2.630  -1.418
  457   2HG1  ILE  56          1HG1      ILE  56   8.900  -2.957  -2.513
  458   1HG2  ILE  56          1HG2      ILE  56   9.835  -5.349  -1.485
  459   2HG2  ILE  56          2HG2      ILE  56   9.315  -5.726   0.157
  460   3HG2  ILE  56          3HG2      ILE  56  10.622  -4.574  -0.111
  461   1HD1  ILE  56          1HD1      ILE  56   8.237  -1.310  -0.166
  462   2HD1  ILE  56          2HD1      ILE  56   7.763  -1.132  -1.855
  463   3HD1  ILE  56          3HD1      ILE  56   9.350  -0.579  -1.323
  464    H    SER  57           H        SER  57   6.760  -6.677  -1.848
  465    HA   SER  57           HA       SER  57   5.664  -7.679   0.625
  466   1HB   SER  57          2HB       SER  57   6.222  -9.244  -1.900
  467   2HB   SER  57          1HB       SER  57   5.086  -9.644  -0.612
  468    HG   SER  57           HG       SER  57   3.862  -8.737  -2.174
  469    H    ILE  58           H        ILE  58   6.615  -8.952   2.051
  470    HA   ILE  58           HA       ILE  58   9.335  -9.919   1.502
  471    HB   ILE  58           HB       ILE  58   8.283  -8.790   4.091
  472   1HG1  ILE  58          2HG1      ILE  58  10.758  -7.678   3.225
  473   2HG1  ILE  58          1HG1      ILE  58   9.654  -7.665   1.855
  474   1HG2  ILE  58          1HG2      ILE  58  10.147 -10.847   3.774
  475   2HG2  ILE  58          2HG2      ILE  58   9.858  -9.883   5.224
  476   3HG2  ILE  58          3HG2      ILE  58  11.100  -9.393   4.073
  477   1HD1  ILE  58          1HD1      ILE  58   9.646  -6.069   4.291
  478   2HD1  ILE  58          2HD1      ILE  58   8.071  -6.738   3.867
  479   3HD1  ILE  58          3HD1      ILE  58   8.944  -5.737   2.708
  480    H    GLN  59           H        GLN  59   9.779 -12.014   1.919
  481    HA   GLN  59           HA       GLN  59   7.694 -13.587   3.286
  482   1HB   GLN  59          2HB       GLN  59   8.512 -14.040   0.774
  483   2HB   GLN  59          1HB       GLN  59   9.727 -14.980   1.626
  484   1HG   GLN  59          2HG       GLN  59   7.781 -16.077   2.845
  485   2HG   GLN  59          1HG       GLN  59   6.752 -15.343   1.617
  486   1HE2  GLN  59          1HE2      GLN  59   7.785 -15.679  -0.684
  487   2HE2  GLN  59          2HE2      GLN  59   8.193 -17.320  -1.037
  488    H    GLN  60           H        GLN  60   8.958 -15.834   3.957
  489    HA   GLN  60           HA       GLN  60  10.426 -15.122   6.240
  490   1HB   GLN  60          2HB       GLN  60  10.841 -17.509   6.514
  491   2HB   GLN  60          1HB       GLN  60   9.172 -17.227   6.040
  492   1HG   GLN  60          2HG       GLN  60   9.390 -18.416   4.174
  493   2HG   GLN  60          1HG       GLN  60  10.926 -17.652   3.764
  494   1HE2  GLN  60          1HE2      GLN  60   9.631 -19.907   6.182
  495   2HE2  GLN  60          2HE2      GLN  60  10.952 -21.017   6.103
  496    H    TYR  61           H        TYR  61  11.391 -15.448   2.981
  497    HA   TYR  61           HA       TYR  61  14.212 -15.719   3.741
  498   1HB   TYR  61          2HB       TYR  61  14.312 -17.115   1.999
  499   2HB   TYR  61          1HB       TYR  61  12.645 -16.761   1.583
  500    HD1  TYR  61           1HD      TYR  61  16.155 -16.022   0.847
  501    HD2  TYR  61           2HD      TYR  61  12.116 -15.173  -0.184
  502    HE1  TYR  61           1HE      TYR  61  16.914 -14.981  -1.248
  503    HE2  TYR  61           2HE      TYR  61  12.865 -14.127  -2.278
  504    HH   TYR  61           HH       TYR  61  14.593 -13.680  -3.598
  505    H    GLY  62           H        GLY  62  11.974 -13.375   3.109
  506   1HA   GLY  62          2HA       GLY  62  12.254 -11.084   2.983
  507   2HA   GLY  62          1HA       GLY  62  13.989 -11.339   2.912
  508    H    HIS  63           H        HIS  63  12.399  -9.467   1.382
  509    HA   HIS  63           HA       HIS  63  12.211  -8.656  -0.736
  510   1HB   HIS  63          2HB       HIS  63  14.706  -9.376  -0.598
  511   2HB   HIS  63          1HB       HIS  63  14.216 -10.697  -1.655
  512    HD2  HIS  63           2HD      HIS  63  15.653  -9.690  -3.793
  513    HE1  HIS  63           1HE      HIS  63  13.315  -6.186  -4.193
  514    HE2  HIS  63           2HE      HIS  63  14.979  -7.718  -5.337
  515    H    GLN  64           H        GLN  64  10.160  -9.229  -1.334
  516    HA   GLN  64           HA       GLN  64   9.915 -11.752  -2.821
  517   1HB   GLN  64          2HB       GLN  64   8.230 -10.627  -0.704
  518   2HB   GLN  64          1HB       GLN  64   7.353 -11.240  -2.098
  519   1HG   GLN  64          2HG       GLN  64   7.967 -12.766  -0.041
  520   2HG   GLN  64          1HG       GLN  64   7.923 -13.393  -1.689
  521   1HE2  GLN  64          1HE2      GLN  64   9.764 -14.126  -2.607
  522   2HE2  GLN  64          2HE2      GLN  64  11.292 -14.179  -1.805
  523    H    GLU  65           H        GLU  65   8.155  -8.677  -2.430
  524    HA   GLU  65           HA       GLU  65   8.015  -8.469  -5.359
  525   1HB   GLU  65          2HB       GLU  65   5.900  -9.326  -3.964
  526   2HB   GLU  65          1HB       GLU  65   5.656  -7.596  -3.781
  527   1HG   GLU  65          2HG       GLU  65   6.040  -7.616  -6.393
  528   2HG   GLU  65          1HG       GLU  65   5.507  -9.287  -6.216
  529    H    VAL  66           H        VAL  66   7.998  -6.393  -6.207
  530    HA   VAL  66           HA       VAL  66   8.122  -4.162  -4.300
  531    HB   VAL  66           HB       VAL  66  10.053  -4.495  -6.597
  532   1HG1  VAL  66          1HG1      VAL  66   9.601  -2.184  -6.308
  533   2HG1  VAL  66          2HG1      VAL  66  11.139  -2.495  -5.501
  534   3HG1  VAL  66          3HG1      VAL  66   9.663  -2.323  -4.551
  535   1HG2  VAL  66          1HG2      VAL  66  10.890  -4.383  -3.739
  536   2HG2  VAL  66          2HG2      VAL  66  11.700  -5.122  -5.120
  537   3HG2  VAL  66          3HG2      VAL  66  10.295  -5.906  -4.399
  538    H    THR  67           H        THR  67   6.524  -2.835  -4.810
  539    HA   THR  67           HA       THR  67   6.039  -2.227  -7.646
  540    HB   THR  67           HB       THR  67   3.891  -2.730  -5.577
  541    HG1  THR  67           1HG      THR  67   4.428  -4.135  -7.995
  542   1HG2  THR  67          1HG2      THR  67   2.525  -2.583  -7.851
  543   2HG2  THR  67          2HG2      THR  67   3.850  -1.506  -8.286
  544   3HG2  THR  67          3HG2      THR  67   2.857  -1.155  -6.872
  545    H    ARG  68           H        ARG  68   6.039  -0.113  -8.063
  546    HA   ARG  68           HA       ARG  68   5.880   1.743  -5.792
  547   1HB   ARG  68          2HB       ARG  68   6.830   2.521  -8.526
  548   2HB   ARG  68          1HB       ARG  68   7.235   3.231  -6.968
  549   1HG   ARG  68          2HG       ARG  68   8.676   1.448  -6.418
  550   2HG   ARG  68          1HG       ARG  68   8.066   0.457  -7.742
  551   1HD   ARG  68          2HD       ARG  68   9.360   3.094  -8.303
  552   2HD   ARG  68          1HD       ARG  68  10.349   1.666  -8.001
  553    HE   ARG  68           HE       ARG  68   8.282   1.412 -10.030
  554   1HH1  ARG  68          1HH1      ARG  68  11.643   1.977  -9.296
  555   2HH1  ARG  68          2HH1      ARG  68  12.191   1.569 -10.889
  556   1HH2  ARG  68          1HH2      ARG  68   8.997   0.876 -12.128
  557   2HH2  ARG  68          2HH2      ARG  68  10.687   0.945 -12.497
  558    H    PHE  69           H        PHE  69   4.296   3.184  -5.628
  559    HA   PHE  69           HA       PHE  69   2.735   4.010  -7.916
  560   1HB   PHE  69          2HB       PHE  69   0.607   3.218  -7.127
  561   2HB   PHE  69          1HB       PHE  69   1.706   1.845  -7.220
  562    HD1  PHE  69           1HD      PHE  69   2.981   1.307  -4.973
  563    HD2  PHE  69           2HD      PHE  69  -0.662   3.491  -5.239
  564    HE1  PHE  69           1HE      PHE  69   2.491   0.767  -2.624
  565    HE2  PHE  69           2HE      PHE  69  -1.158   2.955  -2.889
  566    HZ   PHE  69           HZ       PHE  69   0.419   1.592  -1.578
  567    H    ASP  70           H        ASP  70   2.066   6.043  -7.699
  568    HA   ASP  70           HA       ASP  70   2.371   7.331  -5.085
  569   1HB   ASP  70          2HB       ASP  70   1.616   8.962  -7.440
  570   2HB   ASP  70          1HB       ASP  70   2.824   9.274  -6.196
  571    H    PHE  71           H        PHE  71   0.649   8.590  -4.171
  572    HA   PHE  71           HA       PHE  71  -1.944   8.407  -5.458
  573   1HB   PHE  71          2HB       PHE  71  -3.038   7.232  -3.669
  574   2HB   PHE  71          1HB       PHE  71  -1.667   6.272  -4.223
  575    HD1  PHE  71           1HD      PHE  71  -3.106   8.151  -1.462
  576    HD2  PHE  71           2HD      PHE  71   0.331   6.046  -2.829
  577    HE1  PHE  71           1HE      PHE  71  -2.268   8.028   0.848
  578    HE2  PHE  71           2HE      PHE  71   1.174   5.917  -0.522
  579    HZ   PHE  71           HZ       PHE  71  -0.125   6.909   1.320
  580    H    THR  72           H        THR  72  -3.498   9.772  -4.693
  581    HA   THR  72           HA       THR  72  -2.971  11.538  -2.457
  582    HB   THR  72           HB       THR  72  -3.660  13.505  -4.044
  583    HG1  THR  72           1HG      THR  72  -2.406  11.711  -5.874
  584   1HG2  THR  72          1HG2      THR  72  -1.554  13.459  -2.858
  585   2HG2  THR  72          2HG2      THR  72  -1.267  13.959  -4.524
  586   3HG2  THR  72          3HG2      THR  72  -0.886  12.312  -4.020
  587    H    THR  73           H        THR  73  -4.887  12.462  -1.638
  588    HA   THR  73           HA       THR  73  -7.275  11.035  -2.324
  589    HB   THR  73           HB       THR  73  -6.905  11.601  -0.008
  590    HG1  THR  73           1HG      THR  73  -9.002  11.788   0.123
  591   1HG2  THR  73          1HG2      THR  73  -7.270  14.137   0.544
  592   2HG2  THR  73          2HG2      THR  73  -6.665  14.371  -1.095
  593   3HG2  THR  73          3HG2      THR  73  -5.670  13.542   0.102
  594    H    THR  74           H        THR  74  -6.136  14.360  -2.762
  595    HA   THR  74           HA       THR  74  -8.322  14.755  -4.692
  596    HB   THR  74           HB       THR  74  -9.041  16.706  -3.808
  597    HG1  THR  74           1HG      THR  74  -7.694  18.301  -3.245
  598   1HG2  THR  74          1HG2      THR  74  -7.677  16.202  -1.222
  599   2HG2  THR  74          2HG2      THR  74  -8.672  14.893  -1.864
  600   3HG2  THR  74          3HG2      THR  74  -9.385  16.479  -1.571
  601    H    SER  75           H        SER  75  -5.015  15.251  -3.787
  602    HA   SER  75           HA       SER  75  -4.390  17.119  -5.866
  603   1HB   SER  75          2HB       SER  75  -2.888  15.649  -3.778
  604   2HB   SER  75          1HB       SER  75  -1.973  16.089  -5.220
  605    HG   SER  75           HG       SER  75  -2.853  17.657  -3.190
  606    H    THR  76           H        THR  76  -2.169  16.241  -7.106
  607    HA   THR  76           HA       THR  76  -2.769  13.672  -8.363
  608    HB   THR  76           HB       THR  76  -3.958  15.019  -9.873
  609    HG1  THR  76           1HG      THR  76  -2.136  15.304 -11.633
  610   1HG2  THR  76          1HG2      THR  76  -2.186  17.027 -10.751
  611   2HG2  THR  76          2HG2      THR  76  -2.163  17.072  -8.988
  612   3HG2  THR  76          3HG2      THR  76  -3.691  17.231  -9.854
  613    H    SER  77           H        SER  77  -0.967  12.551  -8.794
  614    HA   SER  77           HA       SER  77   1.512  13.860  -9.465
  615   1HB   SER  77          2HB       SER  77   1.334  13.882  -6.910
  616   2HB   SER  77          1HB       SER  77   1.526  12.130  -6.996
  617    HG   SER  77           HG       SER  77   3.442  13.834  -6.911
  618    H    THR  78           H        THR  78  -0.382  11.832 -10.540
  619    HA   THR  78           HA       THR  78   1.510   9.589 -10.830
  620    HB   THR  78           HB       THR  78  -0.706   8.414 -11.677
  621    HG1  THR  78           1HG      THR  78  -1.612  10.731 -10.667
  622   1HG2  THR  78          1HG2      THR  78  -0.698   7.243  -9.714
  623   2HG2  THR  78          2HG2      THR  78  -0.600   8.696  -8.719
  624   3HG2  THR  78          3HG2      THR  78   0.839   8.091  -9.541
  625    HA   PRO  79           HA       PRO  79   1.276  11.537 -14.992
  626   1HB   PRO  79          2HB       PRO  79   3.871  11.239 -15.619
  627   2HB   PRO  79          1HB       PRO  79   3.312  12.552 -14.574
  628   1HG   PRO  79          2HG       PRO  79   4.559   9.932 -13.822
  629   2HG   PRO  79          1HG       PRO  79   4.903  11.555 -13.192
  630   1HD   PRO  79          2HD       PRO  79   3.306   9.766 -11.902
  631   2HD   PRO  79          1HD       PRO  79   3.095  11.523 -11.773
  632    H    GLY  80           H        GLY  80   1.493   8.477 -13.850
  633   1HA   GLY  80          2HA       GLY  80   0.834   7.218 -16.251
  634   2HA   GLY  80          1HA       GLY  80   2.565   7.016 -16.022
  635    H    SER  81           H        SER  81   1.655   4.707 -16.076
  636    HA   SER  81           HA       SER  81   0.253   3.693 -13.847
  637   1HB   SER  81          2HB       SER  81   2.142   2.257 -15.729
  638   2HB   SER  81          1HB       SER  81   0.994   1.482 -14.638
  639    HG   SER  81           HG       SER  81  -0.631   2.800 -15.820
  640    H    ARG  82           H        ARG  82   3.688   4.068 -14.548
  641    HA   ARG  82           HA       ARG  82   4.268   3.772 -11.707
  642   1HB   ARG  82          2HB       ARG  82   5.376   2.010 -13.870
  643   2HB   ARG  82          1HB       ARG  82   6.308   2.334 -12.415
  644   1HG   ARG  82          2HG       ARG  82   3.948   1.617 -11.327
  645   2HG   ARG  82          1HG       ARG  82   3.929   0.654 -12.807
  646   1HD   ARG  82          2HD       ARG  82   6.392   0.093 -12.084
  647   2HD   ARG  82          1HD       ARG  82   5.798   0.545 -10.487
  648    HE   ARG  82           HE       ARG  82   4.203  -1.245 -10.640
  649   1HH1  ARG  82          1HH1      ARG  82   6.667  -1.222 -13.106
  650   2HH1  ARG  82          2HH1      ARG  82   6.465  -2.896 -13.504
  651   1HH2  ARG  82          1HH2      ARG  82   3.930  -3.448 -11.160
  652   2HH2  ARG  82          2HH2      ARG  82   4.909  -4.161 -12.399
  653    H    SER  83           H        SER  83   6.550   4.391 -11.212
  654    HA   SER  83           HA       SER  83   7.685   6.237 -13.191
  655   1HB   SER  83          2HB       SER  83   7.937   7.215 -10.449
  656   2HB   SER  83          1HB       SER  83   7.429   8.071 -11.906
  657    HG   SER  83           HG       SER  83   5.436   7.822 -11.308
  658    H    HIS  84           H        HIS  84   9.882   6.280 -13.267
  659    HA   HIS  84           HA       HIS  84  11.394   4.965 -11.135
  660   1HB   HIS  84          2HB       HIS  84  12.725   3.975 -13.271
  661   2HB   HIS  84          1HB       HIS  84  11.458   3.096 -12.421
  662    HD2  HIS  84           2HD      HIS  84   9.104   2.721 -13.808
  663    HE1  HIS  84           1HE      HIS  84  10.458   4.544 -17.381
  664    HE2  HIS  84           2HE      HIS  84   8.678   3.065 -16.344
  665    H    HIS  85           H        HIS  85  12.870   6.369 -10.507
  666    HA   HIS  85           HA       HIS  85  14.134   8.107 -12.525
  667   1HB   HIS  85          2HB       HIS  85  13.681   8.618  -9.577
  668   2HB   HIS  85          1HB       HIS  85  14.557   9.692 -10.662
  669    HD2  HIS  85           2HD      HIS  85  12.879  10.755 -12.790
  670    HE1  HIS  85           1HE      HIS  85   9.402  10.313 -10.420
  671    HE2  HIS  85           2HE      HIS  85  10.340  11.238 -12.586
  672    H    HIS  86           H        HIS  86  14.730   6.517  -9.398
  673    HA   HIS  86           HA       HIS  86  17.319   5.609 -10.316
  674   1HB   HIS  86          2HB       HIS  86  17.034   7.925  -8.576
  675   2HB   HIS  86          1HB       HIS  86  17.987   6.650  -7.823
  676    HD2  HIS  86           2HD      HIS  86  18.311   9.402 -10.445
  677    HE1  HIS  86           1HE      HIS  86  21.803   7.018 -10.642
  678    HE2  HIS  86           2HE      HIS  86  20.772   9.253 -11.250
  679    H    HIS  87           H        HIS  87  14.616   5.505  -8.249
  680    HA   HIS  87           HA       HIS  87  13.808   3.971  -6.787
  681   1HB   HIS  87          2HB       HIS  87  14.750   2.512  -8.803
  682   2HB   HIS  87          1HB       HIS  87  15.856   1.947  -7.557
  683    HD2  HIS  87           2HD      HIS  87  12.158   2.651  -6.589
  684    HE1  HIS  87           1HE      HIS  87  12.792  -1.533  -6.672
  685    HE2  HIS  87           2HE      HIS  87  11.114   0.309  -6.202
  686    H    HIS  88           H        HIS  88  17.032   2.563  -6.664
  687    HA   HIS  88           HA       HIS  88  18.561   2.364  -4.999
  688   1HB   HIS  88          2HB       HIS  88  18.127   5.016  -5.144
  689   2HB   HIS  88          1HB       HIS  88  17.592   4.727  -3.492
  690    HD2  HIS  88           2HD      HIS  88  19.851   6.165  -2.612
  691    HE1  HIS  88           1HE      HIS  88  22.565   3.106  -3.706
  692    HE2  HIS  88           2HE      HIS  88  22.316   5.355  -2.562
  693    H    HIS  89           H        HIS  89  18.785   2.143  -2.559
  694    HA   HIS  89           HA       HIS  89  16.352   0.850  -1.561
  695   1HB   HIS  89          2HB       HIS  89  18.993   0.592  -0.186
  696   2HB   HIS  89          1HB       HIS  89  17.693  -0.585  -0.342
  697    HD2  HIS  89           2HD      HIS  89  21.023   0.314  -1.939
  698    HE1  HIS  89           1HE      HIS  89  19.114  -2.490  -4.469
  699    HE2  HIS  89           2HE      HIS  89  21.329  -1.438  -3.827
  Start of MODEL   32
    1   1H    MET   1          1HT       MET   1  -7.780 -40.189   2.889
    2   2H    MET   1          2HT       MET   1  -8.957 -41.399   2.975
    3   3H    MET   1          3HT       MET   1  -7.532 -41.542   3.874
    4    HA   MET   1           HA       MET   1  -9.909 -39.936   4.383
    5   1HB   MET   1          2HB       MET   1  -9.240 -42.065   5.569
    6   2HB   MET   1          1HB       MET   1  -7.874 -41.181   6.237
    7   1HG   MET   1          2HG       MET   1  -9.854 -39.524   6.941
    8   2HG   MET   1          1HG       MET   1 -10.740 -41.048   6.918
    9   1HE   MET   1          1HE       MET   1 -10.781 -42.303   9.701
   10   2HE   MET   1          2HE       MET   1  -9.315 -43.246   9.425
   11   3HE   MET   1          3HE       MET   1 -10.415 -42.912   8.087
   12    H    ARG   2           H        ARG   2  -6.495 -39.883   5.421
   13    HA   ARG   2           HA       ARG   2  -5.107 -38.188   6.026
   14   1HB   ARG   2          2HB       ARG   2  -6.093 -37.513   3.591
   15   2HB   ARG   2          1HB       ARG   2  -6.591 -36.115   4.535
   16   1HG   ARG   2          2HG       ARG   2  -4.448 -35.417   4.891
   17   2HG   ARG   2          1HG       ARG   2  -3.781 -37.047   4.781
   18   1HD   ARG   2          2HD       ARG   2  -3.376 -35.319   2.861
   19   2HD   ARG   2          1HD       ARG   2  -3.710 -37.009   2.484
   20    HE   ARG   2           HE       ARG   2  -5.813 -34.944   2.436
   21   1HH1  ARG   2          1HH1      ARG   2  -4.116 -37.618   0.983
   22   2HH1  ARG   2          2HH1      ARG   2  -5.191 -37.732  -0.370
   23   1HH2  ARG   2          1HH2      ARG   2  -7.232 -35.085   0.657
   24   2HH2  ARG   2          2HH2      ARG   2  -6.961 -36.291  -0.557
   25    H    GLY   3           H        GLY   3  -5.522 -35.467   6.445
   26   1HA   GLY   3          2HA       GLY   3  -7.691 -34.524   7.751
   27   2HA   GLY   3          1HA       GLY   3  -6.948 -35.564   8.957
   28    H    SER   4           H        SER   4  -6.263 -32.843   6.788
   29    HA   SER   4           HA       SER   4  -3.900 -32.072   8.216
   30   1HB   SER   4          2HB       SER   4  -3.648 -30.405   6.615
   31   2HB   SER   4          1HB       SER   4  -4.578 -31.610   5.723
   32    HG   SER   4           HG       SER   4  -5.883 -29.987   5.405
   33    H    ASN   5           H        ASN   5  -3.870 -29.527   8.738
   34    HA   ASN   5           HA       ASN   5  -5.909 -29.189  10.815
   35   1HB   ASN   5          2HB       ASN   5  -4.354 -27.515  11.768
   36   2HB   ASN   5          1HB       ASN   5  -3.600 -29.095  11.585
   37   1HD2  ASN   5          1HD2      ASN   5  -2.261 -29.417   9.665
   38   2HD2  ASN   5          2HD2      ASN   5  -1.365 -28.076   9.046
   39    H    ALA   6           H        ALA   6  -6.934 -28.722   8.366
   40    HA   ALA   6           HA       ALA   6  -8.100 -27.213   7.127
   41   1HB   ALA   6          1HB       ALA   6  -8.608 -26.512   9.614
   42   2HB   ALA   6          2HB       ALA   6  -9.151 -25.523   8.258
   43   3HB   ALA   6          3HB       ALA   6  -7.701 -25.071   9.154
   44    HA   PRO   7           HA       PRO   7  -4.365 -25.254   5.380
   45   1HB   PRO   7          2HB       PRO   7  -5.165 -25.455   2.796
   46   2HB   PRO   7          1HB       PRO   7  -4.415 -26.794   3.672
   47   1HG   PRO   7          2HG       PRO   7  -7.312 -26.281   3.117
   48   2HG   PRO   7          1HG       PRO   7  -6.405 -27.802   3.020
   49   1HD   PRO   7          2HD       PRO   7  -7.981 -27.170   5.133
   50   2HD   PRO   7          1HD       PRO   7  -6.517 -28.160   5.293
   51    H    GLN   8           H        GLN   8  -4.079 -23.134   5.043
   52    HA   GLN   8           HA       GLN   8  -6.347 -21.535   4.071
   53   1HB   GLN   8          2HB       GLN   8  -5.390 -19.721   5.681
   54   2HB   GLN   8          1HB       GLN   8  -6.450 -20.973   6.316
   55   1HG   GLN   8          2HG       GLN   8  -4.897 -21.577   7.764
   56   2HG   GLN   8          1HG       GLN   8  -3.777 -21.922   6.447
   57   1HE2  GLN   8          1HE2      GLN   8  -1.908 -20.990   6.822
   58   2HE2  GLN   8          2HE2      GLN   8  -1.665 -19.398   7.448
   59    HA   PRO   9           HA       PRO   9  -3.196 -20.076   1.288
   60   1HB   PRO   9          2HB       PRO   9  -4.627 -18.148   0.055
   61   2HB   PRO   9          1HB       PRO   9  -4.904 -19.868  -0.245
   62   1HG   PRO   9          2HG       PRO   9  -6.426 -17.980   1.510
   63   2HG   PRO   9          1HG       PRO   9  -7.039 -19.227   0.408
   64   1HD   PRO   9          2HD       PRO   9  -6.835 -19.581   3.102
   65   2HD   PRO   9          1HD       PRO   9  -6.716 -20.911   1.933
   66    H    SER  10           H        SER  10  -1.982 -19.250   3.184
   67    HA   SER  10           HA       SER  10  -2.389 -16.662   4.226
   68   1HB   SER  10          2HB       SER  10  -0.523 -18.793   4.585
   69   2HB   SER  10          1HB       SER  10   0.387 -17.303   4.331
   70    HG   SER  10           HG       SER  10  -0.286 -16.575   6.193
   71    H    HIS  11           H        HIS  11  -0.912 -17.822   1.330
   72    HA   HIS  11           HA       HIS  11   0.046 -16.806  -0.456
   73   1HB   HIS  11          2HB       HIS  11  -1.875 -14.889   0.596
   74   2HB   HIS  11          1HB       HIS  11  -0.548 -14.099  -0.250
   75    HD2  HIS  11           2HD      HIS  11  -0.109 -15.649  -2.864
   76    HE1  HIS  11           1HE      HIS  11  -4.318 -15.817  -3.274
   77    HE2  HIS  11           2HE      HIS  11  -2.103 -15.899  -4.505
   78    H    ILE  12           H        ILE  12   0.282 -13.865   1.475
   79    HA   ILE  12           HA       ILE  12   3.202 -14.069   1.281
   80    HB   ILE  12           HB       ILE  12   1.719 -11.985   0.526
   81   1HG1  ILE  12          2HG1      ILE  12   3.837 -10.582   1.380
   82   2HG1  ILE  12          1HG1      ILE  12   4.454 -12.206   1.677
   83   1HG2  ILE  12          1HG2      ILE  12   0.972 -11.861   3.036
   84   2HG2  ILE  12          2HG2      ILE  12   1.279 -10.389   2.115
   85   3HG2  ILE  12          3HG2      ILE  12   2.500 -11.002   3.229
   86   1HD1  ILE  12          1HD1      ILE  12   5.083 -11.274  -0.527
   87   2HD1  ILE  12          2HD1      ILE  12   3.374 -11.280  -0.971
   88   3HD1  ILE  12          3HD1      ILE  12   4.201 -12.798  -0.621
   89    H    SER  13           H        SER  13   4.510 -13.390   3.083
   90    HA   SER  13           HA       SER  13   3.476 -14.375   5.600
   91   1HB   SER  13          2HB       SER  13   5.756 -14.985   4.957
   92   2HB   SER  13          1HB       SER  13   6.204 -13.283   4.847
   93    HG   SER  13           HG       SER  13   5.216 -14.446   7.230
   94    H    LYS  14           H        LYS  14   4.288 -11.380   4.046
   95    HA   LYS  14           HA       LYS  14   2.705  -9.805   5.742
   96   1HB   LYS  14          2HB       LYS  14   4.549  -8.433   6.764
   97   2HB   LYS  14          1HB       LYS  14   4.379 -10.054   7.426
   98   1HG   LYS  14          2HG       LYS  14   6.285 -10.826   6.227
   99   2HG   LYS  14          1HG       LYS  14   6.379  -9.327   5.301
  100   1HD   LYS  14          2HD       LYS  14   6.436  -8.530   7.972
  101   2HD   LYS  14          1HD       LYS  14   7.471  -9.959   7.900
  102   1HE   LYS  14          2HE       LYS  14   8.924  -8.983   6.371
  103   2HE   LYS  14          1HE       LYS  14   7.735  -7.785   5.860
  104   1HZ   LYS  14          1HZ       LYS  14   7.992  -7.100   8.392
  105   2HZ   LYS  14          2HZ       LYS  14   9.000  -6.482   7.183
  106   3HZ   LYS  14          3HZ       LYS  14   9.532  -7.760   8.155
  107    H    TYR  15           H        TYR  15   2.406  -7.749   4.917
  108    HA   TYR  15           HA       TYR  15   3.848  -7.142   2.417
  109   1HB   TYR  15          2HB       TYR  15   1.064  -6.441   3.359
  110   2HB   TYR  15          1HB       TYR  15   1.837  -5.572   2.040
  111    HD1  TYR  15           1HD      TYR  15   2.972  -7.363   0.275
  112    HD2  TYR  15           2HD      TYR  15  -0.481  -8.017   2.686
  113    HE1  TYR  15           1HE      TYR  15   2.177  -9.050  -1.325
  114    HE2  TYR  15           2HE      TYR  15  -1.280  -9.704   1.088
  115    HH   TYR  15           HH       TYR  15   0.238 -11.295  -0.827
  116    H    ILE  16           H        ILE  16   4.766  -5.075   2.155
  117    HA   ILE  16           HA       ILE  16   4.760  -3.443   4.602
  118    HB   ILE  16           HB       ILE  16   6.970  -4.300   2.866
  119   1HG1  ILE  16          2HG1      ILE  16   6.751  -4.871   5.264
  120   2HG1  ILE  16          1HG1      ILE  16   8.246  -4.006   4.919
  121   1HG2  ILE  16          1HG2      ILE  16   8.274  -2.208   3.248
  122   2HG2  ILE  16          2HG2      ILE  16   6.776  -1.425   3.753
  123   3HG2  ILE  16          3HG2      ILE  16   6.944  -2.027   2.104
  124   1HD1  ILE  16          1HD1      ILE  16   7.499  -2.061   5.959
  125   2HD1  ILE  16          2HD1      ILE  16   6.925  -3.357   7.009
  126   3HD1  ILE  16          3HD1      ILE  16   5.809  -2.563   5.895
  127    H    LEU  17           H        LEU  17   3.859  -1.543   4.460
  128    HA   LEU  17           HA       LEU  17   3.489  -0.339   1.802
  129   1HB   LEU  17          2HB       LEU  17   1.539  -0.995   3.504
  130   2HB   LEU  17          1HB       LEU  17   1.930   0.583   4.161
  131    HG   LEU  17           HG       LEU  17   1.707   1.224   1.551
  132   1HD1  LEU  17          1HD1      LEU  17  -0.322   0.055   0.701
  133   2HD1  LEU  17          2HD1      LEU  17  -0.134  -1.114   2.007
  134   3HD1  LEU  17          3HD1      LEU  17   1.119  -0.959   0.777
  135   1HD2  LEU  17          1HD2      LEU  17  -0.509   1.011   3.583
  136   2HD2  LEU  17          2HD2      LEU  17  -0.596   1.953   2.095
  137   3HD2  LEU  17          3HD2      LEU  17   0.580   2.375   3.339
  138    H    ARG  18           H        ARG  18   4.875   1.250   1.422
  139    HA   ARG  18           HA       ARG  18   5.642   2.986   3.668
  140   1HB   ARG  18          2HB       ARG  18   7.631   3.096   1.640
  141   2HB   ARG  18          1HB       ARG  18   7.788   2.517   3.293
  142   1HG   ARG  18          2HG       ARG  18   6.726   0.339   2.315
  143   2HG   ARG  18          1HG       ARG  18   7.320   0.985   0.785
  144   1HD   ARG  18          2HD       ARG  18   8.858  -0.594   2.049
  145   2HD   ARG  18          1HD       ARG  18   9.554   0.936   1.509
  146    HE   ARG  18           HE       ARG  18   8.618   0.521   4.274
  147   1HH1  ARG  18          1HH1      ARG  18  11.011   1.600   1.982
  148   2HH1  ARG  18          2HH1      ARG  18  12.078   2.223   3.194
  149   1HH2  ARG  18          1HH2      ARG  18  10.018   1.335   5.877
  150   2HH2  ARG  18          2HH2      ARG  18  11.514   2.071   5.409
  151    H    TRP  19           H        TRP  19   5.289   5.093   3.422
  152    HA   TRP  19           HA       TRP  19   5.219   6.272   0.782
  153   1HB   TRP  19          2HB       TRP  19   3.007   7.070   0.820
  154   2HB   TRP  19          1HB       TRP  19   2.878   5.390   1.326
  155    HD1  TRP  19           HD       TRP  19   2.225   8.916   2.492
  156    HE1  TRP  19           1HE      TRP  19   1.065   8.854   4.791
  157    HE3  TRP  19           3HE      TRP  19   2.791   3.947   3.560
  158    HZ2  TRP  19           2HZ      TRP  19   0.469   6.954   6.789
  159    HZ3  TRP  19           3HZ      TRP  19   1.897   3.087   5.685
  160    HH2  TRP  19           HH       TRP  19   0.760   4.561   7.265
  161    H    ARG  20           H        ARG  20   5.449   8.545   0.778
  162    HA   ARG  20           HA       ARG  20   5.636   9.932   3.311
  163   1HB   ARG  20          2HB       ARG  20   7.869  10.043   3.528
  164   2HB   ARG  20          1HB       ARG  20   7.906   8.667   2.438
  165   1HG   ARG  20          2HG       ARG  20   7.982  11.486   1.415
  166   2HG   ARG  20          1HG       ARG  20   9.442  10.637   1.927
  167   1HD   ARG  20          2HD       ARG  20   8.345   8.774   0.318
  168   2HD   ARG  20          1HD       ARG  20   7.746  10.241  -0.454
  169    HE   ARG  20           HE       ARG  20  10.561   9.474  -0.143
  170   1HH1  ARG  20          1HH1      ARG  20   8.128  11.576  -1.489
  171   2HH1  ARG  20          2HH1      ARG  20   9.211  12.315  -2.621
  172   1HH2  ARG  20          1HH2      ARG  20  11.991  10.440  -1.634
  173   2HH2  ARG  20          2HH2      ARG  20  11.404  11.670  -2.703
  174    HA   PRO  21           HA       PRO  21   4.212  13.325   0.892
  175   1HB   PRO  21          2HB       PRO  21   5.910  15.005   2.666
  176   2HB   PRO  21          1HB       PRO  21   4.178  15.119   2.325
  177   1HG   PRO  21          2HG       PRO  21   4.992  14.151   4.648
  178   2HG   PRO  21          1HG       PRO  21   3.649  13.378   3.779
  179   1HD   PRO  21          2HD       PRO  21   6.518  12.527   3.949
  180   2HD   PRO  21          1HD       PRO  21   5.045  11.545   4.090
  181    H    LYS  22           H        LYS  22   5.044  13.428  -1.093
  182    HA   LYS  22           HA       LYS  22   7.785  13.619  -1.726
  183   1HB   LYS  22          2HB       LYS  22   5.293  14.167  -3.325
  184   2HB   LYS  22          1HB       LYS  22   6.897  14.216  -4.028
  185   1HG   LYS  22          2HG       LYS  22   6.845  11.783  -2.726
  186   2HG   LYS  22          1HG       LYS  22   5.212  11.946  -3.373
  187   1HD   LYS  22          2HD       LYS  22   6.469  10.855  -5.043
  188   2HD   LYS  22          1HD       LYS  22   6.289  12.525  -5.587
  189   1HE   LYS  22          2HE       LYS  22   8.617  12.564  -4.096
  190   2HE   LYS  22          1HE       LYS  22   8.691  11.017  -4.937
  191   1HZ   LYS  22          1HZ       LYS  22   8.128  13.581  -6.316
  192   2HZ   LYS  22          2HZ       LYS  22   8.515  12.093  -7.019
  193   3HZ   LYS  22          3HZ       LYS  22   9.688  12.946  -6.148
  194    H    ASN  23           H        ASN  23   5.489  15.979  -0.776
  195    HA   ASN  23           HA       ASN  23   6.674  18.246  -2.034
  196   1HB   ASN  23          2HB       ASN  23   4.485  17.727  -0.187
  197   2HB   ASN  23          1HB       ASN  23   5.381  19.179   0.249
  198   1HD2  ASN  23          1HD2      ASN  23   2.666  18.796  -0.842
  199   2HD2  ASN  23          2HD2      ASN  23   2.603  19.771  -2.266
  200    H    SER  24           H        SER  24   7.494  16.327   0.654
  201    HA   SER  24           HA       SER  24   9.405  18.367   1.586
  202   1HB   SER  24          2HB       SER  24   7.530  17.516   3.178
  203   2HB   SER  24          1HB       SER  24   8.513  16.056   3.291
  204    HG   SER  24           HG       SER  24   9.703  18.570   3.675
  205    H    VAL  25           H        VAL  25  10.938  16.637   3.192
  206    HA   VAL  25           HA       VAL  25  12.151  14.875   1.167
  207    HB   VAL  25           HB       VAL  25  14.042  15.622   3.163
  208   1HG1  VAL  25          1HG1      VAL  25  13.956  16.215   0.214
  209   2HG1  VAL  25          2HG1      VAL  25  14.523  14.708   0.935
  210   3HG1  VAL  25          3HG1      VAL  25  15.386  16.215   1.246
  211   1HG2  VAL  25          1HG2      VAL  25  12.477  17.662   3.176
  212   2HG2  VAL  25          2HG2      VAL  25  13.133  17.993   1.574
  213   3HG2  VAL  25          3HG2      VAL  25  14.206  17.942   2.973
  214    H    GLY  26           H        GLY  26  12.281  12.802   1.678
  215   1HA   GLY  26          2HA       GLY  26  12.314  10.861   2.898
  216   2HA   GLY  26          1HA       GLY  26  13.029  11.805   4.196
  217    H    ARG  27           H        ARG  27  11.923  10.944   5.888
  218    HA   ARG  27           HA       ARG  27  10.239  10.662   7.383
  219   1HB   ARG  27          2HB       ARG  27   9.663  13.095   6.038
  220   2HB   ARG  27          1HB       ARG  27   8.142  12.248   6.273
  221   1HG   ARG  27          2HG       ARG  27   8.140  13.192   8.292
  222   2HG   ARG  27          1HG       ARG  27   9.339  11.967   8.714
  223   1HD   ARG  27          2HD       ARG  27  10.863  13.907   7.520
  224   2HD   ARG  27          1HD       ARG  27   9.637  14.853   8.362
  225    HE   ARG  27           HE       ARG  27  11.566  13.024   9.608
  226   1HH1  ARG  27          1HH1      ARG  27   9.119  15.491   9.874
  227   2HH1  ARG  27          2HH1      ARG  27   9.452  15.823  11.541
  228   1HH2  ARG  27          1HH2      ARG  27  12.013  13.458  11.802
  229   2HH2  ARG  27          2HH2      ARG  27  11.098  14.668  12.636
  230    H    TRP  28           H        TRP  28  10.341   8.588   5.946
  231    HA   TRP  28           HA       TRP  28   8.012   8.018   4.365
  232   1HB   TRP  28          2HB       TRP  28  10.306   6.377   5.412
  233   2HB   TRP  28          1HB       TRP  28   8.918   5.601   4.664
  234    HD1  TRP  28           HD       TRP  28  12.144   7.281   3.847
  235    HE1  TRP  28           1HE      TRP  28  12.437   7.430   1.295
  236    HE3  TRP  28           3HE      TRP  28   7.404   6.012   2.405
  237    HZ2  TRP  28           2HZ      TRP  28  10.872   7.054  -1.022
  238    HZ3  TRP  28           3HZ      TRP  28   6.882   5.934  -0.003
  239    HH2  TRP  28           HH       TRP  28   8.584   6.439  -1.676
  240    H    LYS  29           H        LYS  29   6.806   5.881   4.953
  241    HA   LYS  29           HA       LYS  29   6.262   5.653   7.816
  242   1HB   LYS  29          2HB       LYS  29   4.298   6.529   5.727
  243   2HB   LYS  29          1HB       LYS  29   3.738   5.556   7.081
  244   1HG   LYS  29          2HG       LYS  29   5.343   7.631   8.136
  245   2HG   LYS  29          1HG       LYS  29   4.228   8.352   6.973
  246   1HD   LYS  29          2HD       LYS  29   2.348   7.266   8.105
  247   2HD   LYS  29          1HD       LYS  29   3.464   6.545   9.267
  248   1HE   LYS  29          2HE       LYS  29   3.666   8.451  10.439
  249   2HE   LYS  29          1HE       LYS  29   3.713   9.451   8.988
  250   1HZ   LYS  29          1HZ       LYS  29   1.753   9.923  10.305
  251   2HZ   LYS  29          2HZ       LYS  29   1.269   8.305  10.227
  252   3HZ   LYS  29          3HZ       LYS  29   1.304   9.244   8.821
  253    H    GLU  30           H        GLU  30   5.955   3.540   8.389
  254    HA   GLU  30           HA       GLU  30   5.571   1.643   6.165
  255   1HB   GLU  30          2HB       GLU  30   6.791   0.337   8.383
  256   2HB   GLU  30          1HB       GLU  30   7.433   0.593   6.767
  257   1HG   GLU  30          2HG       GLU  30   9.023   1.523   8.191
  258   2HG   GLU  30          1HG       GLU  30   8.117   2.905   7.578
  259    H    ALA  31           H        ALA  31   4.084   0.119   6.305
  260    HA   ALA  31           HA       ALA  31   2.781  -0.466   8.857
  261   1HB   ALA  31          1HB       ALA  31   1.603   1.310   7.175
  262   2HB   ALA  31          2HB       ALA  31   0.719   0.255   8.279
  263   3HB   ALA  31          3HB       ALA  31   0.919  -0.207   6.590
  264    H    THR  32           H        THR  32   3.087  -2.612   9.052
  265    HA   THR  32           HA       THR  32   3.299  -4.261   6.676
  266    HB   THR  32           HB       THR  32   3.559  -5.092   9.568
  267    HG1  THR  32           1HG      THR  32   5.154  -3.558   8.227
  268   1HG2  THR  32          1HG2      THR  32   4.834  -7.005   8.506
  269   2HG2  THR  32          2HG2      THR  32   4.171  -6.480   6.958
  270   3HG2  THR  32          3HG2      THR  32   3.089  -7.016   8.246
  271    H    ILE  33           H        ILE  33   1.861  -5.643   5.926
  272    HA   ILE  33           HA       ILE  33  -0.426  -6.443   7.569
  273    HB   ILE  33           HB       ILE  33  -1.688  -6.131   5.214
  274   1HG1  ILE  33          2HG1      ILE  33   0.228  -3.792   5.352
  275   2HG1  ILE  33          1HG1      ILE  33   0.361  -5.117   4.201
  276   1HG2  ILE  33          1HG2      ILE  33  -1.527  -3.662   6.843
  277   2HG2  ILE  33          2HG2      ILE  33  -1.997  -5.148   7.670
  278   3HG2  ILE  33          3HG2      ILE  33  -2.936  -4.570   6.293
  279   1HD1  ILE  33          1HD1      ILE  33  -2.266  -3.882   4.190
  280   2HD1  ILE  33          2HD1      ILE  33  -1.162  -4.221   2.856
  281   3HD1  ILE  33          3HD1      ILE  33  -0.967  -2.750   3.809
  282    HA   PRO  34           HA       PRO  34   1.299 -10.216   5.691
  283   1HB   PRO  34          2HB       PRO  34  -0.486 -11.876   7.000
  284   2HB   PRO  34          1HB       PRO  34   1.084 -11.364   7.623
  285   1HG   PRO  34          2HG       PRO  34  -1.638 -10.267   8.201
  286   2HG   PRO  34          1HG       PRO  34  -0.279 -10.535   9.309
  287   1HD   PRO  34          2HD       PRO  34  -0.864  -8.087   8.398
  288   2HD   PRO  34          1HD       PRO  34   0.819  -8.604   8.627
  289    H    GLY  35           H        GLY  35   0.139 -12.254   4.779
  290   1HA   GLY  35          2HA       GLY  35  -1.438 -11.408   2.589
  291   2HA   GLY  35          1HA       GLY  35  -1.110 -13.075   3.037
  292    H    HIS  36           H        HIS  36  -3.257 -10.371   3.408
  293    HA   HIS  36           HA       HIS  36  -5.580 -11.915   3.635
  294   1HB   HIS  36          2HB       HIS  36  -4.128 -11.619   6.087
  295   2HB   HIS  36          1HB       HIS  36  -5.632 -10.711   6.209
  296    HD2  HIS  36           2HD      HIS  36  -7.969 -12.357   5.543
  297    HE1  HIS  36           1HE      HIS  36  -5.984 -15.844   6.887
  298    HE2  HIS  36           2HE      HIS  36  -8.240 -14.779   6.429
  299    H    LEU  37           H        LEU  37  -4.182  -8.981   5.040
  300    HA   LEU  37           HA       LEU  37  -6.511  -7.411   4.409
  301   1HB   LEU  37          2HB       LEU  37  -4.012  -6.007   5.110
  302   2HB   LEU  37          1HB       LEU  37  -5.633  -5.784   5.729
  303    HG   LEU  37           HG       LEU  37  -4.390  -6.475   7.581
  304   1HD1  LEU  37          1HD1      LEU  37  -6.452  -7.721   7.461
  305   2HD1  LEU  37          2HD1      LEU  37  -5.179  -8.732   8.148
  306   3HD1  LEU  37          3HD1      LEU  37  -5.678  -8.960   6.473
  307   1HD2  LEU  37          1HD2      LEU  37  -2.650  -7.564   5.745
  308   2HD2  LEU  37          2HD2      LEU  37  -3.247  -8.964   6.634
  309   3HD2  LEU  37          3HD2      LEU  37  -2.494  -7.625   7.500
  310    H    ASN  38           H        ASN  38  -4.030  -8.598   2.642
  311    HA   ASN  38           HA       ASN  38  -2.906  -8.024   0.742
  312   1HB   ASN  38          2HB       ASN  38  -4.449  -7.219  -1.068
  313   2HB   ASN  38          1HB       ASN  38  -5.037  -8.622  -0.188
  314   1HD2  ASN  38          1HD2      ASN  38  -5.638  -5.388  -1.089
  315   2HD2  ASN  38          2HD2      ASN  38  -7.147  -5.196  -0.269
  316    H    SER  39           H        SER  39  -4.381  -5.417  -0.596
  317    HA   SER  39           HA       SER  39  -2.234  -3.661   0.256
  318   1HB   SER  39          2HB       SER  39  -4.382  -2.957  -1.734
  319   2HB   SER  39          1HB       SER  39  -2.733  -2.340  -1.631
  320    HG   SER  39           HG       SER  39  -1.972  -4.277  -2.395
  321    H    TYR  40           H        TYR  40  -2.485  -2.340   1.927
  322    HA   TYR  40           HA       TYR  40  -5.125  -1.702   2.925
  323   1HB   TYR  40          2HB       TYR  40  -3.591  -2.144   4.650
  324   2HB   TYR  40          1HB       TYR  40  -2.325  -1.180   3.899
  325    HD1  TYR  40           1HD      TYR  40  -5.645  -0.899   5.553
  326    HD2  TYR  40           2HD      TYR  40  -1.990   1.039   4.563
  327    HE1  TYR  40           1HE      TYR  40  -6.283   1.011   6.964
  328    HE2  TYR  40           2HE      TYR  40  -2.617   2.955   5.972
  329    HH   TYR  40           HH       TYR  40  -4.424   3.967   7.008
  330    H    THR  41           H        THR  41  -6.234   0.082   2.479
  331    HA   THR  41           HA       THR  41  -4.926   2.176   0.906
  332    HB   THR  41           HB       THR  41  -6.959   1.267  -0.067
  333    HG1  THR  41           1HG      THR  41  -8.207   3.365   0.006
  334   1HG2  THR  41          1HG2      THR  41  -8.598   0.571   1.279
  335   2HG2  THR  41          2HG2      THR  41  -9.015   2.264   1.551
  336   3HG2  THR  41          3HG2      THR  41  -7.908   1.441   2.651
  337    H    ILE  42           H        ILE  42  -5.051   4.353   1.431
  338    HA   ILE  42           HA       ILE  42  -5.621   4.903   4.259
  339    HB   ILE  42           HB       ILE  42  -3.952   6.603   2.408
  340   1HG1  ILE  42          2HG1      ILE  42  -2.532   5.058   4.447
  341   2HG1  ILE  42          1HG1      ILE  42  -3.299   4.044   3.230
  342   1HG2  ILE  42          1HG2      ILE  42  -3.321   7.803   4.282
  343   2HG2  ILE  42          2HG2      ILE  42  -3.745   6.496   5.387
  344   3HG2  ILE  42          3HG2      ILE  42  -5.016   7.452   4.622
  345   1HD1  ILE  42          1HD1      ILE  42  -1.205   6.152   2.853
  346   2HD1  ILE  42          2HD1      ILE  42  -2.161   5.524   1.512
  347   3HD1  ILE  42          3HD1      ILE  42  -1.134   4.438   2.446
  348    H    LYS  43           H        LYS  43  -7.179   6.282   4.783
  349    HA   LYS  43           HA       LYS  43  -9.084   7.083   2.907
  350   1HB   LYS  43          2HB       LYS  43  -9.857   8.564   4.921
  351   2HB   LYS  43          1HB       LYS  43  -9.976   6.811   4.990
  352   1HG   LYS  43          2HG       LYS  43  -7.492   7.201   5.998
  353   2HG   LYS  43          1HG       LYS  43  -8.324   8.652   6.560
  354   1HD   LYS  43          2HD       LYS  43  -8.662   7.067   8.261
  355   2HD   LYS  43          1HD       LYS  43 -10.171   7.076   7.348
  356   1HE   LYS  43          2HE       LYS  43  -9.962   4.878   7.096
  357   2HE   LYS  43          1HE       LYS  43  -8.543   5.178   6.092
  358   1HZ   LYS  43          1HZ       LYS  43  -7.254   4.307   7.649
  359   2HZ   LYS  43          2HZ       LYS  43  -8.630   3.888   8.539
  360   3HZ   LYS  43          3HZ       LYS  43  -7.855   5.363   8.827
  361    H    GLY  44           H        GLY  44  -8.601   9.764   4.911
  362   1HA   GLY  44          2HA       GLY  44  -8.199  11.446   2.612
  363   2HA   GLY  44          1HA       GLY  44  -8.456  11.977   4.263
  364    H    LEU  45           H        LEU  45  -6.524  12.669   2.049
  365    HA   LEU  45           HA       LEU  45  -4.084  12.545   3.679
  366   1HB   LEU  45          2HB       LEU  45  -4.384  12.209   0.698
  367   2HB   LEU  45          1HB       LEU  45  -2.858  12.657   1.436
  368    HG   LEU  45           HG       LEU  45  -2.710  10.346   1.110
  369   1HD1  LEU  45          1HD1      LEU  45  -2.254   9.555   3.214
  370   2HD1  LEU  45          2HD1      LEU  45  -3.698  10.281   3.920
  371   3HD1  LEU  45          3HD1      LEU  45  -2.310  11.292   3.513
  372   1HD2  LEU  45          1HD2      LEU  45  -4.526   8.809   2.041
  373   2HD2  LEU  45          2HD2      LEU  45  -4.873   9.681   0.547
  374   3HD2  LEU  45          3HD2      LEU  45  -5.544  10.250   2.077
  375    H    LYS  46           H        LYS  46  -6.433  14.488   2.666
  376    HA   LYS  46           HA       LYS  46  -6.728  16.714   2.478
  377   1HB   LYS  46          2HB       LYS  46  -4.284  16.393   4.020
  378   2HB   LYS  46          1HB       LYS  46  -4.381  17.933   3.190
  379   1HG   LYS  46          2HG       LYS  46  -6.133  18.659   4.441
  380   2HG   LYS  46          1HG       LYS  46  -6.766  17.029   4.689
  381   1HD   LYS  46          2HD       LYS  46  -4.135  17.654   5.900
  382   2HD   LYS  46          1HD       LYS  46  -5.551  18.422   6.622
  383   1HE   LYS  46          2HE       LYS  46  -6.575  16.066   6.616
  384   2HE   LYS  46          1HE       LYS  46  -4.928  15.499   6.347
  385   1HZ   LYS  46          1HZ       LYS  46  -5.984  15.877   8.758
  386   2HZ   LYS  46          2HZ       LYS  46  -5.271  17.392   8.520
  387   3HZ   LYS  46          3HZ       LYS  46  -4.326  15.992   8.442
  388    HA   PRO  47           HA       PRO  47  -5.122  17.937  -1.442
  389   1HB   PRO  47          2HB       PRO  47  -5.809  20.529  -1.523
  390   2HB   PRO  47          1HB       PRO  47  -7.027  19.247  -1.533
  391   1HG   PRO  47          2HG       PRO  47  -6.092  20.953   0.743
  392   2HG   PRO  47          1HG       PRO  47  -7.744  20.477   0.307
  393   1HD   PRO  47          2HD       PRO  47  -6.274  19.247   2.261
  394   2HD   PRO  47          1HD       PRO  47  -7.559  18.441   1.341
  395    H    GLY  48           H        GLY  48  -3.469  19.096  -2.502
  396   1HA   GLY  48          2HA       GLY  48  -1.498  20.271  -2.703
  397   2HA   GLY  48          1HA       GLY  48  -1.844  21.021  -1.151
  398    H    VAL  49           H        VAL  49  -2.062  17.748  -0.747
  399    HA   VAL  49           HA       VAL  49   0.755  17.570   0.105
  400    HB   VAL  49           HB       VAL  49  -1.099  15.707   1.400
  401   1HG1  VAL  49          1HG1      VAL  49   0.254  17.098   3.335
  402   2HG1  VAL  49          2HG1      VAL  49   1.350  17.181   1.955
  403   3HG1  VAL  49          3HG1      VAL  49   0.805  15.615   2.555
  404   1HG2  VAL  49          1HG2      VAL  49  -1.909  18.429   1.242
  405   2HG2  VAL  49          2HG2      VAL  49  -1.398  18.093   2.896
  406   3HG2  VAL  49          3HG2      VAL  49  -2.650  17.105   2.144
  407    H    VAL  50           H        VAL  50   1.845  16.258  -1.206
  408    HA   VAL  50           HA       VAL  50   0.456  14.095  -2.566
  409    HB   VAL  50           HB       VAL  50   3.150  15.345  -2.924
  410   1HG1  VAL  50          1HG1      VAL  50   3.658  12.967  -2.801
  411   2HG1  VAL  50          2HG1      VAL  50   3.755  13.514  -4.477
  412   3HG1  VAL  50          3HG1      VAL  50   2.345  12.611  -3.924
  413   1HG2  VAL  50          1HG2      VAL  50   1.277  16.168  -4.215
  414   2HG2  VAL  50          2HG2      VAL  50   0.927  14.524  -4.766
  415   3HG2  VAL  50          3HG2      VAL  50   2.423  15.326  -5.264
  416    H    TYR  51           H        TYR  51   1.030  11.946  -2.429
  417    HA   TYR  51           HA       TYR  51   2.860  11.222  -0.256
  418   1HB   TYR  51          2HB       TYR  51  -0.046  10.487  -0.422
  419   2HB   TYR  51          1HB       TYR  51   1.100   9.430   0.399
  420    HD1  TYR  51           1HD      TYR  51   2.669  10.677   2.139
  421    HD2  TYR  51           2HD      TYR  51  -1.118  12.105   0.834
  422    HE1  TYR  51           1HE      TYR  51   2.503  12.059   4.165
  423    HE2  TYR  51           2HE      TYR  51  -1.299  13.492   2.857
  424    HH   TYR  51           HH       TYR  51   0.912  14.482   4.613
  425    H    GLU  52           H        GLU  52   4.369  10.185  -1.374
  426    HA   GLU  52           HA       GLU  52   3.602   8.388  -3.540
  427   1HB   GLU  52          2HB       GLU  52   5.511   9.898  -3.888
  428   2HB   GLU  52          1HB       GLU  52   6.330   9.191  -2.502
  429   1HG   GLU  52          2HG       GLU  52   5.905   6.974  -3.945
  430   2HG   GLU  52          1HG       GLU  52   6.005   8.162  -5.244
  431    H    GLY  53           H        GLY  53   3.464   6.247  -3.293
  432   1HA   GLY  53          2HA       GLY  53   4.832   5.024  -1.006
  433   2HA   GLY  53          1HA       GLY  53   3.095   4.813  -1.161
  434    H    GLN  54           H        GLN  54   5.288   2.870  -1.174
  435    HA   GLN  54           HA       GLN  54   4.547   1.533  -3.660
  436   1HB   GLN  54          2HB       GLN  54   6.818   0.694  -3.952
  437   2HB   GLN  54          1HB       GLN  54   6.800   2.452  -3.970
  438   1HG   GLN  54          2HG       GLN  54   7.383   0.988  -1.450
  439   2HG   GLN  54          1HG       GLN  54   8.627   1.192  -2.680
  440   1HE2  GLN  54          1HE2      GLN  54   8.733   2.251  -0.062
  441   2HE2  GLN  54          2HE2      GLN  54   8.738   3.974  -0.187
  442    H    LEU  55           H        LEU  55   4.115  -0.623  -3.449
  443    HA   LEU  55           HA       LEU  55   4.071  -1.605  -0.692
  444   1HB   LEU  55          2HB       LEU  55   2.132  -1.585  -2.621
  445   2HB   LEU  55          1HB       LEU  55   2.748  -3.222  -2.746
  446    HG   LEU  55           HG       LEU  55   1.734  -1.959  -0.198
  447   1HD1  LEU  55          1HD1      LEU  55  -0.233  -3.307  -0.470
  448   2HD1  LEU  55          2HD1      LEU  55   0.408  -4.019  -1.951
  449   3HD1  LEU  55          3HD1      LEU  55  -0.022  -2.308  -1.910
  450   1HD2  LEU  55          1HD2      LEU  55   1.697  -4.756  -0.060
  451   2HD2  LEU  55          2HD2      LEU  55   2.757  -3.649   0.813
  452   3HD2  LEU  55          3HD2      LEU  55   3.271  -4.328  -0.733
  453    H    ILE  56           H        ILE  56   5.816  -2.698  -0.145
  454    HA   ILE  56           HA       ILE  56   7.037  -4.517  -2.095
  455    HB   ILE  56           HB       ILE  56   8.113  -3.516   0.548
  456   1HG1  ILE  56          2HG1      ILE  56   9.835  -2.564  -1.265
  457   2HG1  ILE  56          1HG1      ILE  56   8.396  -2.617  -2.278
  458   1HG2  ILE  56          1HG2      ILE  56   9.047  -5.570  -1.364
  459   2HG2  ILE  56          2HG2      ILE  56   9.266  -5.461   0.382
  460   3HG2  ILE  56          3HG2      ILE  56  10.267  -4.487  -0.694
  461   1HD1  ILE  56          1HD1      ILE  56   7.370  -0.941  -1.140
  462   2HD1  ILE  56          2HD1      ILE  56   9.050  -0.484  -0.860
  463   3HD1  ILE  56          3HD1      ILE  56   8.150  -1.348   0.388
  464    H    SER  57           H        SER  57   6.339  -6.544  -1.997
  465    HA   SER  57           HA       SER  57   5.160  -7.585   0.435
  466   1HB   SER  57          2HB       SER  57   5.543  -9.196  -2.068
  467   2HB   SER  57          1HB       SER  57   4.254  -9.289  -0.869
  468    HG   SER  57           HG       SER  57   3.354  -8.243  -2.553
  469    H    ILE  58           H        ILE  58   5.995  -9.087   1.720
  470    HA   ILE  58           HA       ILE  58   8.678 -10.119   1.096
  471    HB   ILE  58           HB       ILE  58   7.602  -9.502   3.846
  472   1HG1  ILE  58          2HG1      ILE  58   9.772  -7.871   3.402
  473   2HG1  ILE  58          1HG1      ILE  58   8.980  -7.881   1.829
  474   1HG2  ILE  58          1HG2      ILE  58   9.324 -10.663   4.639
  475   2HG2  ILE  58          2HG2      ILE  58  10.449  -9.726   3.657
  476   3HG2  ILE  58          3HG2      ILE  58   9.697 -11.176   2.992
  477   1HD1  ILE  58          1HD1      ILE  58   8.335  -6.327   4.052
  478   2HD1  ILE  58          2HD1      ILE  58   7.043  -7.520   3.914
  479   3HD1  ILE  58          3HD1      ILE  58   7.431  -6.477   2.545
  480    H    GLN  59           H        GLN  59   9.010 -12.272   1.204
  481    HA   GLN  59           HA       GLN  59   6.741 -13.950   1.963
  482   1HB   GLN  59          2HB       GLN  59   8.058 -14.248  -0.229
  483   2HB   GLN  59          1HB       GLN  59   9.325 -14.948   0.769
  484   1HG   GLN  59          2HG       GLN  59   8.025 -16.781   1.355
  485   2HG   GLN  59          1HG       GLN  59   6.519 -15.967   0.942
  486   1HE2  GLN  59          1HE2      GLN  59   6.922 -18.475   0.074
  487   2HE2  GLN  59          2HE2      GLN  59   7.198 -18.498  -1.630
  488    H    GLN  60           H        GLN  60   7.776 -16.241   2.845
  489    HA   GLN  60           HA       GLN  60   8.377 -15.727   5.523
  490   1HB   GLN  60          2HB       GLN  60   9.220 -18.339   4.388
  491   2HB   GLN  60          1HB       GLN  60   8.289 -17.989   5.837
  492   1HG   GLN  60          2HG       GLN  60   6.327 -17.512   4.474
  493   2HG   GLN  60          1HG       GLN  60   7.260 -17.838   3.013
  494   1HE2  GLN  60          1HE2      GLN  60   6.619 -19.691   2.187
  495   2HE2  GLN  60          2HE2      GLN  60   6.327 -21.152   3.062
  496    H    TYR  61           H        TYR  61  10.506 -16.172   2.771
  497    HA   TYR  61           HA       TYR  61  12.813 -16.213   4.582
  498   1HB   TYR  61          2HB       TYR  61  13.947 -16.490   2.144
  499   2HB   TYR  61          1HB       TYR  61  13.405 -17.839   3.132
  500    HD1  TYR  61           1HD      TYR  61  12.094 -15.487   0.536
  501    HD2  TYR  61           2HD      TYR  61  12.031 -19.417   2.165
  502    HE1  TYR  61           1HE      TYR  61  10.622 -16.216  -1.294
  503    HE2  TYR  61           2HE      TYR  61  10.558 -20.157   0.341
  504    HH   TYR  61           HH       TYR  61   9.433 -17.886  -2.148
  505    H    GLY  62           H        GLY  62  10.993 -13.903   3.385
  506   1HA   GLY  62          2HA       GLY  62  11.564 -11.614   3.482
  507   2HA   GLY  62          1HA       GLY  62  13.246 -12.046   3.228
  508    H    HIS  63           H        HIS  63  11.533 -10.040   1.900
  509    HA   HIS  63           HA       HIS  63  11.290  -9.139  -0.178
  510   1HB   HIS  63          2HB       HIS  63  13.101 -11.411  -1.017
  511   2HB   HIS  63          1HB       HIS  63  12.703 -10.008  -2.003
  512    HD2  HIS  63           2HD      HIS  63  15.798 -10.511  -1.253
  513    HE1  HIS  63           1HE      HIS  63  15.211  -7.353   1.504
  514    HE2  HIS  63           2HE      HIS  63  16.916  -8.601   0.101
  515    H    GLN  64           H        GLN  64  10.179  -9.437  -2.232
  516    HA   GLN  64           HA       GLN  64   9.179 -11.875  -3.133
  517   1HB   GLN  64          2HB       GLN  64   7.848 -11.032  -0.812
  518   2HB   GLN  64          1HB       GLN  64   6.749 -10.698  -2.140
  519   1HG   GLN  64          2HG       GLN  64   7.182 -13.129  -0.846
  520   2HG   GLN  64          1HG       GLN  64   6.192 -12.829  -2.273
  521   1HE2  GLN  64          1HE2      GLN  64   9.409 -13.707  -1.175
  522   2HE2  GLN  64          2HE2      GLN  64   9.879 -14.545  -2.607
  523    H    GLU  65           H        GLU  65   7.864  -8.576  -2.656
  524    HA   GLU  65           HA       GLU  65   7.793  -8.265  -5.567
  525   1HB   GLU  65          2HB       GLU  65   5.573  -9.115  -4.336
  526   2HB   GLU  65          1HB       GLU  65   5.376  -7.387  -4.084
  527   1HG   GLU  65          2HG       GLU  65   5.869  -7.251  -6.646
  528   2HG   GLU  65          1HG       GLU  65   5.378  -8.943  -6.626
  529    H    VAL  66           H        VAL  66   7.936  -6.163  -6.305
  530    HA   VAL  66           HA       VAL  66   7.942  -4.014  -4.309
  531    HB   VAL  66           HB       VAL  66  10.100  -4.366  -6.394
  532   1HG1  VAL  66          1HG1      VAL  66   9.696  -2.052  -6.217
  533   2HG1  VAL  66          2HG1      VAL  66  11.078  -2.360  -5.164
  534   3HG1  VAL  66          3HG1      VAL  66   9.472  -2.142  -4.470
  535   1HG2  VAL  66          1HG2      VAL  66   9.892  -5.164  -3.604
  536   2HG2  VAL  66          2HG2      VAL  66  11.290  -4.136  -3.916
  537   3HG2  VAL  66          3HG2      VAL  66  11.073  -5.631  -4.828
  538    H    THR  67           H        THR  67   6.427  -2.619  -4.929
  539    HA   THR  67           HA       THR  67   6.337  -1.808  -7.749
  540    HB   THR  67           HB       THR  67   3.913  -2.546  -6.095
  541    HG1  THR  67           1HG      THR  67   4.975  -4.321  -7.095
  542   1HG2  THR  67          1HG2      THR  67   3.143  -2.065  -8.734
  543   2HG2  THR  67          2HG2      THR  67   4.207  -0.722  -8.320
  544   3HG2  THR  67          3HG2      THR  67   2.789  -1.061  -7.329
  545    H    ARG  68           H        ARG  68   6.579   0.322  -7.873
  546    HA   ARG  68           HA       ARG  68   5.987   1.967  -5.527
  547   1HB   ARG  68          2HB       ARG  68   7.501   2.651  -8.052
  548   2HB   ARG  68          1HB       ARG  68   7.348   3.680  -6.634
  549   1HG   ARG  68          2HG       ARG  68   8.802   2.428  -5.396
  550   2HG   ARG  68          1HG       ARG  68   8.466   0.947  -6.293
  551   1HD   ARG  68          2HD       ARG  68  10.744   2.168  -6.611
  552   2HD   ARG  68          1HD       ARG  68   9.901   1.504  -8.010
  553    HE   ARG  68           HE       ARG  68   9.166   3.756  -8.528
  554   1HH1  ARG  68          1HH1      ARG  68  11.725   3.447  -6.181
  555   2HH1  ARG  68          2HH1      ARG  68  12.310   5.060  -6.417
  556   1HH2  ARG  68          1HH2      ARG  68   9.933   5.880  -8.846
  557   2HH2  ARG  68          2HH2      ARG  68  11.292   6.443  -7.932
  558    H    PHE  69           H        PHE  69   4.374   3.443  -5.492
  559    HA   PHE  69           HA       PHE  69   3.179   4.367  -7.980
  560   1HB   PHE  69          2HB       PHE  69   0.907   3.717  -7.339
  561   2HB   PHE  69          1HB       PHE  69   1.948   2.311  -7.510
  562    HD1  PHE  69           1HD      PHE  69   2.974   1.352  -5.332
  563    HD2  PHE  69           2HD      PHE  69  -0.348   4.014  -5.422
  564    HE1  PHE  69           1HE      PHE  69   2.314   0.598  -3.089
  565    HE2  PHE  69           2HE      PHE  69  -1.007   3.267  -3.172
  566    HZ   PHE  69           HZ       PHE  69   0.325   1.559  -2.004
  567    H    ASP  70           H        ASP  70   2.532   6.430  -7.875
  568    HA   ASP  70           HA       ASP  70   2.597   7.761  -5.266
  569   1HB   ASP  70          2HB       ASP  70   2.391   9.016  -8.013
  570   2HB   ASP  70          1HB       ASP  70   2.769   9.835  -6.499
  571    H    PHE  71           H        PHE  71   0.824   8.862  -4.403
  572    HA   PHE  71           HA       PHE  71  -1.624   9.010  -5.959
  573   1HB   PHE  71          2HB       PHE  71  -2.955   7.697  -4.419
  574   2HB   PHE  71          1HB       PHE  71  -1.619   6.719  -5.026
  575    HD1  PHE  71           1HD      PHE  71   0.357   6.306  -3.567
  576    HD2  PHE  71           2HD      PHE  71  -3.194   8.147  -2.115
  577    HE1  PHE  71           1HE      PHE  71   1.045   5.803  -1.260
  578    HE2  PHE  71           2HE      PHE  71  -2.511   7.649   0.196
  579    HZ   PHE  71           HZ       PHE  71  -0.388   6.476   0.625
  580    H    THR  72           H        THR  72  -3.361  10.109  -4.869
  581    HA   THR  72           HA       THR  72  -2.734  11.633  -2.483
  582    HB   THR  72           HB       THR  72  -3.680  13.715  -3.814
  583    HG1  THR  72           1HG      THR  72  -3.922  12.876  -5.834
  584   1HG2  THR  72          1HG2      THR  72  -1.622  14.553  -3.487
  585   2HG2  THR  72          2HG2      THR  72  -0.872  13.358  -4.544
  586   3HG2  THR  72          3HG2      THR  72  -1.213  12.956  -2.862
  587    H    THR  73           H        THR  73  -4.725  12.948  -1.814
  588    HA   THR  73           HA       THR  73  -7.075  11.271  -2.299
  589    HB   THR  73           HB       THR  73  -6.496  11.615   0.035
  590    HG1  THR  73           1HG      THR  73  -8.762  11.570  -0.661
  591   1HG2  THR  73          1HG2      THR  73  -5.471  13.582   0.459
  592   2HG2  THR  73          2HG2      THR  73  -7.114  14.161   0.732
  593   3HG2  THR  73          3HG2      THR  73  -6.336  14.426  -0.825
  594    H    THR  74           H        THR  74  -6.173  14.712  -2.254
  595    HA   THR  74           HA       THR  74  -8.354  15.224  -4.150
  596    HB   THR  74           HB       THR  74  -9.429  16.105  -2.313
  597    HG1  THR  74           1HG      THR  74  -8.006  18.458  -2.527
  598   1HG2  THR  74          1HG2      THR  74  -8.150  15.845  -0.446
  599   2HG2  THR  74          2HG2      THR  74  -7.928  17.581  -0.656
  600   3HG2  THR  74          3HG2      THR  74  -6.694  16.460  -1.226
  601    H    SER  75           H        SER  75  -5.145  15.370  -3.485
  602    HA   SER  75           HA       SER  75  -4.596  17.893  -4.820
  603   1HB   SER  75          2HB       SER  75  -2.379  16.014  -4.238
  604   2HB   SER  75          1HB       SER  75  -2.494  17.748  -3.944
  605    HG   SER  75           HG       SER  75  -3.309  15.607  -2.351
  606    H    THR  76           H        THR  76  -2.934  17.888  -6.597
  607    HA   THR  76           HA       THR  76  -3.754  15.955  -8.617
  608    HB   THR  76           HB       THR  76  -1.924  17.684  -9.803
  609    HG1  THR  76           1HG      THR  76  -2.632  19.744  -9.091
  610   1HG2  THR  76          1HG2      THR  76  -4.699  17.029  -9.954
  611   2HG2  THR  76          2HG2      THR  76  -3.650  17.693 -11.206
  612   3HG2  THR  76          3HG2      THR  76  -4.514  18.775 -10.114
  613    H    SER  77           H        SER  77  -2.658  14.075  -8.362
  614    HA   SER  77           HA       SER  77   0.020  13.910  -9.224
  615   1HB   SER  77          2HB       SER  77  -0.172  14.556  -6.516
  616   2HB   SER  77          1HB       SER  77   0.136  12.819  -6.532
  617    HG   SER  77           HG       SER  77   2.056  13.147  -7.427
  618    H    THR  78           H        THR  78  -0.394  12.211 -10.498
  619    HA   THR  78           HA       THR  78  -0.747   9.629  -9.353
  620    HB   THR  78           HB       THR  78  -2.914   9.547 -11.105
  621    HG1  THR  78           1HG      THR  78  -4.169  11.265  -9.731
  622   1HG2  THR  78          1HG2      THR  78  -2.484   9.377  -8.174
  623   2HG2  THR  78          2HG2      THR  78  -3.171   8.194  -9.288
  624   3HG2  THR  78          3HG2      THR  78  -4.148   9.554  -8.733
  625    HA   PRO  79           HA       PRO  79   1.547   9.134 -13.186
  626   1HB   PRO  79          2HB       PRO  79   2.016   6.459 -12.881
  627   2HB   PRO  79          1HB       PRO  79   2.965   7.716 -12.079
  628   1HG   PRO  79          2HG       PRO  79   0.703   6.074 -11.006
  629   2HG   PRO  79          1HG       PRO  79   2.236   6.512 -10.228
  630   1HD   PRO  79          2HD       PRO  79  -0.058   7.799  -9.663
  631   2HD   PRO  79          1HD       PRO  79   1.504   8.644  -9.700
  632    H    GLY  80           H        GLY  80   1.131   8.297 -15.220
  633   1HA   GLY  80          2HA       GLY  80  -1.469   6.919 -15.495
  634   2HA   GLY  80          1HA       GLY  80  -0.844   8.076 -16.661
  635    H    SER  81           H        SER  81   1.894   6.889 -16.370
  636    HA   SER  81           HA       SER  81   1.584   4.215 -17.448
  637   1HB   SER  81          2HB       SER  81   3.280   5.344 -19.337
  638   2HB   SER  81          1HB       SER  81   1.594   4.888 -19.594
  639    HG   SER  81           HG       SER  81   2.732   7.392 -19.279
  640    H    ARG  82           H        ARG  82   2.697   4.458 -15.166
  641    HA   ARG  82           HA       ARG  82   4.546   3.997 -13.931
  642   1HB   ARG  82          2HB       ARG  82   5.267   3.151 -16.633
  643   2HB   ARG  82          1HB       ARG  82   6.662   3.601 -15.662
  644   1HG   ARG  82          2HG       ARG  82   4.560   1.642 -14.770
  645   2HG   ARG  82          1HG       ARG  82   6.064   1.187 -15.574
  646   1HD   ARG  82          2HD       ARG  82   7.345   2.218 -13.768
  647   2HD   ARG  82          1HD       ARG  82   5.847   2.696 -12.970
  648    HE   ARG  82           HE       ARG  82   5.392   0.340 -12.612
  649   1HH1  ARG  82          1HH1      ARG  82   8.632   1.177 -13.583
  650   2HH1  ARG  82          2HH1      ARG  82   9.337  -0.265 -12.933
  651   1HH2  ARG  82          1HH2      ARG  82   6.311  -1.560 -11.750
  652   2HH2  ARG  82          2HH2      ARG  82   8.018  -1.820 -11.891
  653    H    SER  83           H        SER  83   6.557   4.905 -13.193
  654    HA   SER  83           HA       SER  83   6.696   7.728 -13.673
  655   1HB   SER  83          2HB       SER  83   7.251   6.172 -11.513
  656   2HB   SER  83          1HB       SER  83   8.877   6.463 -12.132
  657    HG   SER  83           HG       SER  83   8.142   8.073 -10.632
  658    H    HIS  84           H        HIS  84   8.752   8.847 -14.144
  659    HA   HIS  84           HA       HIS  84   9.868   7.919 -16.571
  660   1HB   HIS  84          2HB       HIS  84   9.624  10.336 -15.799
  661   2HB   HIS  84          1HB       HIS  84  11.061  10.066 -14.820
  662    HD2  HIS  84           2HD      HIS  84  13.016  11.335 -16.138
  663    HE1  HIS  84           1HE      HIS  84  12.107   9.859 -19.999
  664    HE2  HIS  84           2HE      HIS  84  13.629  11.380 -18.657
  665    H    HIS  85           H        HIS  85  11.159   6.200 -16.668
  666    HA   HIS  85           HA       HIS  85  12.880   5.439 -14.498
  667   1HB   HIS  85          2HB       HIS  85  12.902   4.314 -17.300
  668   2HB   HIS  85          1HB       HIS  85  13.450   3.532 -15.821
  669    HD2  HIS  85           2HD      HIS  85  11.534   2.218 -14.381
  670    HE1  HIS  85           1HE      HIS  85   8.312   3.207 -16.942
  671    HE2  HIS  85           2HE      HIS  85   9.089   1.686 -15.067
  672    H    HIS  86           H        HIS  86  14.352   7.119 -14.222
  673    HA   HIS  86           HA       HIS  86  15.862   8.272 -16.312
  674   1HB   HIS  86          2HB       HIS  86  15.492   9.267 -14.029
  675   2HB   HIS  86          1HB       HIS  86  16.656   8.104 -13.400
  676    HD2  HIS  86           2HD      HIS  86  16.792  10.780 -16.320
  677    HE1  HIS  86           1HE      HIS  86  20.401  10.808 -14.108
  678    HE2  HIS  86           2HE      HIS  86  19.067  11.962 -15.930
  679    H    HIS  87           H        HIS  87  17.302   6.396 -13.652
  680    HA   HIS  87           HA       HIS  87  18.546   4.511 -15.414
  681   1HB   HIS  87          2HB       HIS  87  19.857   6.936 -15.221
  682   2HB   HIS  87          1HB       HIS  87  20.684   5.945 -14.024
  683    HD2  HIS  87           2HD      HIS  87  19.438   4.337 -17.347
  684    HE1  HIS  87           1HE      HIS  87  23.663   4.569 -17.403
  685    HE2  HIS  87           2HE      HIS  87  21.621   3.537 -18.496
  686    H    HIS  88           H        HIS  88  18.168   5.951 -12.268
  687    HA   HIS  88           HA       HIS  88  19.028   3.416 -11.034
  688   1HB   HIS  88          2HB       HIS  88  20.308   5.633 -10.539
  689   2HB   HIS  88          1HB       HIS  88  18.916   6.013  -9.529
  690    HD2  HIS  88           2HD      HIS  88  22.190   4.987  -8.741
  691    HE1  HIS  88           1HE      HIS  88  19.861   2.255  -6.501
  692    HE2  HIS  88           2HE      HIS  88  22.123   3.381  -6.706
  693    H    HIS  89           H        HIS  89  17.138   2.327 -10.854
  694    HA   HIS  89           HA       HIS  89  14.818   3.701  -9.711
  695   1HB   HIS  89          2HB       HIS  89  14.634   0.855 -10.542
  696   2HB   HIS  89          1HB       HIS  89  13.477   2.165 -10.749
  697    HD2  HIS  89           2HD      HIS  89  14.087   3.918 -12.945
  698    HE1  HIS  89           1HE      HIS  89  16.487   0.996 -14.844
  699    HE2  HIS  89           2HE      HIS  89  15.136   3.115 -15.177
  Start of MODEL   33
    1   1H    MET   1          1HT       MET   1 -13.869 -23.753  -5.537
    2   2H    MET   1          2HT       MET   1 -13.474 -24.345  -4.003
    3   3H    MET   1          3HT       MET   1 -12.833 -22.872  -4.532
    4    HA   MET   1           HA       MET   1 -15.606 -23.493  -3.742
    5   1HB   MET   1          2HB       MET   1 -13.319 -22.096  -2.632
    6   2HB   MET   1          1HB       MET   1 -14.720 -21.040  -2.723
    7   1HG   MET   1          2HG       MET   1 -15.814 -22.133  -1.102
    8   2HG   MET   1          1HG       MET   1 -15.262 -23.714  -1.652
    9   1HE   MET   1          1HE       MET   1 -14.556 -20.510  -0.064
   10   2HE   MET   1          2HE       MET   1 -12.804 -20.580   0.135
   11   3HE   MET   1          3HE       MET   1 -13.863 -20.968   1.492
   12    H    ARG   2           H        ARG   2 -13.619 -20.859  -5.096
   13    HA   ARG   2           HA       ARG   2 -15.939 -20.058  -6.719
   14   1HB   ARG   2          2HB       ARG   2 -15.006 -17.666  -6.406
   15   2HB   ARG   2          1HB       ARG   2 -15.946 -18.380  -5.102
   16   1HG   ARG   2          2HG       ARG   2 -13.881 -18.964  -3.932
   17   2HG   ARG   2          1HG       ARG   2 -12.940 -18.241  -5.239
   18   1HD   ARG   2          2HD       ARG   2 -12.998 -16.428  -3.893
   19   2HD   ARG   2          1HD       ARG   2 -14.568 -16.186  -4.659
   20    HE   ARG   2           HE       ARG   2 -15.252 -17.674  -2.566
   21   1HH1  ARG   2          1HH1      ARG   2 -13.140 -14.908  -2.776
   22   2HH1  ARG   2          2HH1      ARG   2 -13.477 -14.368  -1.165
   23   1HH2  ARG   2          1HH2      ARG   2 -15.701 -16.967  -0.446
   24   2HH2  ARG   2          2HH2      ARG   2 -14.932 -15.538   0.160
   25    H    GLY   3           H        GLY   3 -12.570 -20.653  -6.471
   26   1HA   GLY   3          2HA       GLY   3 -11.967 -19.390  -9.032
   27   2HA   GLY   3          1HA       GLY   3 -10.812 -20.160  -7.955
   28    H    SER   4           H        SER   4 -13.177 -22.325  -8.010
   29    HA   SER   4           HA       SER   4 -13.519 -24.330  -9.016
   30   1HB   SER   4          2HB       SER   4 -13.642 -22.449 -11.054
   31   2HB   SER   4          1HB       SER   4 -12.532 -23.669 -11.678
   32    HG   SER   4           HG       SER   4 -14.953 -24.442 -10.475
   33    H    ASN   5           H        ASN   5 -10.934 -23.492 -11.257
   34    HA   ASN   5           HA       ASN   5  -9.545 -25.888 -10.898
   35   1HB   ASN   5          2HB       ASN   5  -9.196 -23.440 -12.397
   36   2HB   ASN   5          1HB       ASN   5  -7.653 -24.006 -11.763
   37   1HD2  ASN   5          1HD2      ASN   5 -10.505 -25.783 -12.869
   38   2HD2  ASN   5          2HD2      ASN   5  -9.688 -26.672 -14.104
   39    H    ALA   6           H        ALA   6  -8.799 -22.645  -9.632
   40    HA   ALA   6           HA       ALA   6  -7.149 -23.939  -7.558
   41   1HB   ALA   6          1HB       ALA   6  -5.998 -22.483  -9.369
   42   2HB   ALA   6          2HB       ALA   6  -5.551 -22.270  -7.676
   43   3HB   ALA   6          3HB       ALA   6  -6.652 -21.128  -8.449
   44    HA   PRO   7           HA       PRO   7 -10.266 -22.117  -4.898
   45   1HB   PRO   7          2HB       PRO   7  -9.074 -22.810  -2.540
   46   2HB   PRO   7          1HB       PRO   7 -10.049 -23.922  -3.508
   47   1HG   PRO   7          2HG       PRO   7  -7.073 -23.636  -3.371
   48   2HG   PRO   7          1HG       PRO   7  -8.055 -25.112  -3.415
   49   1HD   PRO   7          2HD       PRO   7  -6.797 -24.169  -5.602
   50   2HD   PRO   7          1HD       PRO   7  -8.372 -24.983  -5.703
   51    H    GLN   8           H        GLN   8  -7.593 -21.846  -2.731
   52    HA   GLN   8           HA       GLN   8  -7.874 -18.968  -2.697
   53   1HB   GLN   8          2HB       GLN   8  -6.138 -19.164  -0.843
   54   2HB   GLN   8          1HB       GLN   8  -7.694 -19.929  -0.550
   55   1HG   GLN   8          2HG       GLN   8  -6.750 -22.097  -1.126
   56   2HG   GLN   8          1HG       GLN   8  -5.195 -21.339  -1.459
   57   1HE2  GLN   8          1HE2      GLN   8  -5.418 -23.387   0.349
   58   2HE2  GLN   8          2HE2      GLN   8  -5.134 -22.785   1.943
   59    HA   PRO   9           HA       PRO   9  -4.410 -18.107  -5.298
   60   1HB   PRO   9          2HB       PRO   9  -3.908 -15.625  -3.865
   61   2HB   PRO   9          1HB       PRO   9  -4.571 -15.858  -5.483
   62   1HG   PRO   9          2HG       PRO   9  -6.038 -14.933  -3.393
   63   2HG   PRO   9          1HG       PRO   9  -6.736 -15.854  -4.736
   64   1HD   PRO   9          2HD       PRO   9  -6.004 -16.771  -1.983
   65   2HD   PRO   9          1HD       PRO   9  -7.413 -17.201  -2.978
   66    H    SER  10           H        SER  10  -2.223 -16.492  -4.627
   67    HA   SER  10           HA       SER  10  -0.845 -18.132  -2.603
   68   1HB   SER  10          2HB       SER  10  -0.130 -17.449  -5.372
   69   2HB   SER  10          1HB       SER  10   1.172 -17.205  -4.207
   70    HG   SER  10           HG       SER  10   0.728 -19.398  -3.496
   71    H    HIS  11           H        HIS  11  -1.742 -16.322  -1.226
   72    HA   HIS  11           HA       HIS  11  -0.766 -13.691  -1.448
   73   1HB   HIS  11          2HB       HIS  11  -1.603 -13.351   0.777
   74   2HB   HIS  11          1HB       HIS  11  -2.729 -14.411  -0.064
   75    HD2  HIS  11           2HD      HIS  11  -1.447 -14.188   3.300
   76    HE1  HIS  11           1HE      HIS  11  -1.467 -18.346   2.516
   77    HE2  HIS  11           2HE      HIS  11  -1.140 -16.565   4.291
   78    H    ILE  12           H        ILE  12   0.684 -12.620   0.115
   79    HA   ILE  12           HA       ILE  12   3.114 -14.214   0.469
   80    HB   ILE  12           HB       ILE  12   3.397 -12.140  -0.759
   81   1HG1  ILE  12          2HG1      ILE  12   4.790 -11.006   1.403
   82   2HG1  ILE  12          1HG1      ILE  12   4.760 -12.738   1.722
   83   1HG2  ILE  12          1HG2      ILE  12   1.572 -10.834   0.021
   84   2HG2  ILE  12          2HG2      ILE  12   3.048  -9.956   0.424
   85   3HG2  ILE  12          3HG2      ILE  12   2.183 -10.851   1.674
   86   1HD1  ILE  12          1HD1      ILE  12   6.656 -11.590   0.278
   87   2HD1  ILE  12          2HD1      ILE  12   5.489 -11.878  -1.012
   88   3HD1  ILE  12          3HD1      ILE  12   6.086 -13.227  -0.045
   89    H    SER  13           H        SER  13   4.301 -14.167   2.437
   90    HA   SER  13           HA       SER  13   2.890 -14.603   4.759
   91   1HB   SER  13          2HB       SER  13   5.493 -14.830   4.091
   92   2HB   SER  13          1HB       SER  13   5.576 -13.387   5.104
   93    HG   SER  13           HG       SER  13   5.675 -15.706   6.034
   94    H    LYS  14           H        LYS  14   4.444 -11.596   3.686
   95    HA   LYS  14           HA       LYS  14   2.478 -10.014   5.043
   96   1HB   LYS  14          2HB       LYS  14   4.112  -8.788   6.468
   97   2HB   LYS  14          1HB       LYS  14   3.856 -10.455   6.964
   98   1HG   LYS  14          2HG       LYS  14   5.940 -11.060   5.729
   99   2HG   LYS  14          1HG       LYS  14   6.215  -9.335   5.472
  100   1HD   LYS  14          2HD       LYS  14   6.267  -8.971   7.881
  101   2HD   LYS  14          1HD       LYS  14   5.944 -10.684   8.158
  102   1HE   LYS  14          2HE       LYS  14   8.281  -9.931   6.477
  103   2HE   LYS  14          1HE       LYS  14   8.398  -9.710   8.222
  104   1HZ   LYS  14          1HZ       LYS  14   9.136 -11.841   8.021
  105   2HZ   LYS  14          2HZ       LYS  14   8.175 -12.186   6.673
  106   3HZ   LYS  14          3HZ       LYS  14   7.484 -12.150   8.216
  107    H    TYR  15           H        TYR  15   2.404  -7.917   4.302
  108    HA   TYR  15           HA       TYR  15   4.313  -7.237   2.159
  109   1HB   TYR  15          2HB       TYR  15   1.480  -7.360   2.123
  110   2HB   TYR  15          1HB       TYR  15   1.908  -5.654   2.056
  111    HD1  TYR  15           1HD      TYR  15   0.902  -8.105   0.031
  112    HD2  TYR  15           2HD      TYR  15   4.244  -5.498   0.415
  113    HE1  TYR  15           1HE      TYR  15   1.332  -8.311  -2.381
  114    HE2  TYR  15           2HE      TYR  15   4.684  -5.698  -1.996
  115    HH   TYR  15           HH       TYR  15   2.679  -7.780  -4.063
  116    H    ILE  16           H        ILE  16   5.277  -5.214   2.197
  117    HA   ILE  16           HA       ILE  16   4.691  -3.594   4.584
  118    HB   ILE  16           HB       ILE  16   7.231  -4.506   3.460
  119   1HG1  ILE  16          2HG1      ILE  16   6.405  -4.914   5.772
  120   2HG1  ILE  16          1HG1      ILE  16   7.990  -4.149   5.733
  121   1HG2  ILE  16          1HG2      ILE  16   7.350  -2.225   2.605
  122   2HG2  ILE  16          2HG2      ILE  16   8.500  -2.466   3.920
  123   3HG2  ILE  16          3HG2      ILE  16   6.995  -1.593   4.213
  124   1HD1  ILE  16          1HD1      ILE  16   5.416  -2.646   6.139
  125   2HD1  ILE  16          2HD1      ILE  16   7.060  -2.035   6.326
  126   3HD1  ILE  16          3HD1      ILE  16   6.434  -3.242   7.451
  127    H    LEU  17           H        LEU  17   3.924  -1.629   4.263
  128    HA   LEU  17           HA       LEU  17   4.148  -0.482   1.565
  129   1HB   LEU  17          2HB       LEU  17   1.862  -1.032   2.741
  130   2HB   LEU  17          1HB       LEU  17   2.163   0.475   3.585
  131    HG   LEU  17           HG       LEU  17   2.535   0.829   0.745
  132   1HD1  LEU  17          1HD1      LEU  17   0.782  -0.164  -0.181
  133   2HD1  LEU  17          2HD1      LEU  17  -0.303   0.475   1.053
  134   3HD1  LEU  17          3HD1      LEU  17   0.551  -1.043   1.330
  135   1HD2  LEU  17          1HD2      LEU  17   1.093   2.061   3.007
  136   2HD2  LEU  17          2HD2      LEU  17   0.441   2.371   1.397
  137   3HD2  LEU  17          3HD2      LEU  17   2.111   2.797   1.770
  138    H    ARG  18           H        ARG  18   5.627   1.037   1.420
  139    HA   ARG  18           HA       ARG  18   6.105   2.769   3.747
  140   1HB   ARG  18          2HB       ARG  18   7.968   2.101   1.461
  141   2HB   ARG  18          1HB       ARG  18   8.343   3.179   2.797
  142   1HG   ARG  18          2HG       ARG  18   8.663   1.479   4.266
  143   2HG   ARG  18          1HG       ARG  18   7.491   0.426   3.475
  144   1HD   ARG  18          2HD       ARG  18  10.333   0.486   3.196
  145   2HD   ARG  18          1HD       ARG  18   9.174  -0.650   2.509
  146    HE   ARG  18           HE       ARG  18   8.921   1.178   0.720
  147   1HH1  ARG  18          1HH1      ARG  18  11.874   0.422   2.408
  148   2HH1  ARG  18          2HH1      ARG  18  12.899   0.935   1.110
  149   1HH2  ARG  18          1HH2      ARG  18  10.260   1.854  -0.995
  150   2HH2  ARG  18          2HH2      ARG  18  11.981   1.749  -0.826
  151    H    TRP  19           H        TRP  19   5.650   4.888   3.543
  152    HA   TRP  19           HA       TRP  19   5.599   6.050   0.880
  153   1HB   TRP  19          2HB       TRP  19   3.366   6.837   0.961
  154   2HB   TRP  19          1HB       TRP  19   3.305   5.128   1.374
  155    HD1  TRP  19           HD       TRP  19   2.473   8.544   2.720
  156    HE1  TRP  19           1HE      TRP  19   1.323   8.304   5.011
  157    HE3  TRP  19           3HE      TRP  19   3.334   3.575   3.540
  158    HZ2  TRP  19           2HZ      TRP  19   0.846   6.272   6.917
  159    HZ3  TRP  19           3HZ      TRP  19   2.500   2.559   5.620
  160    HH2  TRP  19           HH       TRP  19   1.283   3.880   7.272
  161    H    ARG  20           H        ARG  20   5.793   8.238   0.766
  162    HA   ARG  20           HA       ARG  20   5.935   9.823   3.189
  163   1HB   ARG  20          2HB       ARG  20   8.156   9.728   3.426
  164   2HB   ARG  20          1HB       ARG  20   8.285   8.683   2.022
  165   1HG   ARG  20          2HG       ARG  20   8.015  11.620   1.609
  166   2HG   ARG  20          1HG       ARG  20   9.566  10.960   2.130
  167   1HD   ARG  20          2HD       ARG  20   8.844   9.257   0.107
  168   2HD   ARG  20          1HD       ARG  20   8.234  10.809  -0.465
  169    HE   ARG  20           HE       ARG  20  11.035  10.456   0.376
  170   1HH1  ARG  20          1HH1      ARG  20   8.644  11.515  -1.929
  171   2HH1  ARG  20          2HH1      ARG  20   9.805  12.235  -2.994
  172   1HH2  ARG  20          1HH2      ARG  20  12.567  11.404  -1.022
  173   2HH2  ARG  20          2HH2      ARG  20  12.032  12.172  -2.479
  174    HA   PRO  21           HA       PRO  21   4.253  12.903   0.520
  175   1HB   PRO  21          2HB       PRO  21   5.978  14.836   1.976
  176   2HB   PRO  21          1HB       PRO  21   4.227  14.848   1.735
  177   1HG   PRO  21          2HG       PRO  21   5.263  14.198   4.098
  178   2HG   PRO  21          1HG       PRO  21   3.850  13.345   3.452
  179   1HD   PRO  21          2HD       PRO  21   6.691  12.455   3.574
  180   2HD   PRO  21          1HD       PRO  21   5.206  11.522   3.823
  181    H    LYS  22           H        LYS  22   5.005  12.782  -1.515
  182    HA   LYS  22           HA       LYS  22   7.729  13.105  -2.247
  183   1HB   LYS  22          2HB       LYS  22   5.208  12.527  -3.568
  184   2HB   LYS  22          1HB       LYS  22   6.196  13.623  -4.523
  185   1HG   LYS  22          2HG       LYS  22   8.055  12.039  -4.419
  186   2HG   LYS  22          1HG       LYS  22   7.058  10.936  -3.468
  187   1HD   LYS  22          2HD       LYS  22   6.128  10.109  -5.313
  188   2HD   LYS  22          1HD       LYS  22   5.658  11.724  -5.850
  189   1HE   LYS  22          2HE       LYS  22   8.502  10.914  -6.154
  190   2HE   LYS  22          1HE       LYS  22   7.317  10.209  -7.252
  191   1HZ   LYS  22          1HZ       LYS  22   6.924  12.192  -8.249
  192   2HZ   LYS  22          2HZ       LYS  22   8.519  12.482  -7.766
  193   3HZ   LYS  22          3HZ       LYS  22   7.234  13.102  -6.856
  194    H    ASN  23           H        ASN  23   4.990  15.258  -2.001
  195    HA   ASN  23           HA       ASN  23   6.295  17.452  -3.339
  196   1HB   ASN  23          2HB       ASN  23   3.779  17.029  -3.259
  197   2HB   ASN  23          1HB       ASN  23   3.834  17.605  -1.596
  198   1HD2  ASN  23          1HD2      ASN  23   5.484  18.701  -4.536
  199   2HD2  ASN  23          2HD2      ASN  23   4.893  20.324  -4.467
  200    H    SER  24           H        SER  24   6.233  16.153  -0.182
  201    HA   SER  24           HA       SER  24   7.932  18.307   0.776
  202   1HB   SER  24          2HB       SER  24   5.188  17.774   1.800
  203   2HB   SER  24          1HB       SER  24   6.438  18.114   2.996
  204    HG   SER  24           HG       SER  24   5.497  19.750   0.901
  205    H    VAL  25           H        VAL  25   9.331  16.386   0.427
  206    HA   VAL  25           HA       VAL  25   9.231  13.975   1.697
  207    HB   VAL  25           HB       VAL  25  11.654  13.882   1.596
  208   1HG1  VAL  25          1HG1      VAL  25  11.559  15.260  -0.860
  209   2HG1  VAL  25          2HG1      VAL  25   9.946  14.605  -0.579
  210   3HG1  VAL  25          3HG1      VAL  25  11.347  13.532  -0.574
  211   1HG2  VAL  25          1HG2      VAL  25  12.574  15.828   2.360
  212   2HG2  VAL  25          2HG2      VAL  25  11.391  16.841   1.533
  213   3HG2  VAL  25          3HG2      VAL  25  12.711  16.107   0.624
  214    H    GLY  26           H        GLY  26   9.914  13.108   3.653
  215   1HA   GLY  26          2HA       GLY  26  11.235  14.297   5.734
  216   2HA   GLY  26          1HA       GLY  26   9.569  14.818   5.930
  217    H    ARG  27           H        ARG  27  11.657  11.978   5.705
  218    HA   ARG  27           HA       ARG  27  11.565   9.929   6.683
  219   1HB   ARG  27          2HB       ARG  27  11.195  11.140   8.761
  220   2HB   ARG  27          1HB       ARG  27   9.473  11.247   8.422
  221   1HG   ARG  27          2HG       ARG  27   9.819   8.575   8.316
  222   2HG   ARG  27          1HG       ARG  27  11.061   9.017   9.491
  223   1HD   ARG  27          2HD       ARG  27   9.149   8.622  10.782
  224   2HD   ARG  27          1HD       ARG  27   9.232  10.377  10.645
  225    HE   ARG  27           HE       ARG  27   7.498   8.794   8.871
  226   1HH1  ARG  27          1HH1      ARG  27   7.962  11.340  11.201
  227   2HH1  ARG  27          2HH1      ARG  27   6.357  11.965  11.030
  228   1HH2  ARG  27          1HH2      ARG  27   5.383   9.607   8.636
  229   2HH2  ARG  27          2HH2      ARG  27   4.888  10.978   9.572
  230    H    TRP  28           H        TRP  28  10.471   7.964   6.518
  231    HA   TRP  28           HA       TRP  28   8.038   8.076   4.879
  232   1HB   TRP  28          2HB       TRP  28  10.105   5.907   5.286
  233   2HB   TRP  28          1HB       TRP  28   8.610   5.660   4.392
  234    HD1  TRP  28           HD       TRP  28  11.617   8.127   4.230
  235    HE1  TRP  28           1HE      TRP  28  12.150   8.548   1.747
  236    HE3  TRP  28           3HE      TRP  28   7.911   5.312   2.116
  237    HZ2  TRP  28           2HZ      TRP  28  11.131   7.785  -0.777
  238    HZ3  TRP  28           3HZ      TRP  28   7.756   5.211  -0.338
  239    HH2  TRP  28           HH       TRP  28   9.333   6.423  -1.753
  240    H    LYS  29           H        LYS  29   6.831   5.761   5.217
  241    HA   LYS  29           HA       LYS  29   6.466   5.276   8.082
  242   1HB   LYS  29          2HB       LYS  29   4.544   6.566   6.296
  243   2HB   LYS  29          1HB       LYS  29   3.881   5.150   7.100
  244   1HG   LYS  29          2HG       LYS  29   5.253   6.605   9.072
  245   2HG   LYS  29          1HG       LYS  29   4.325   7.776   8.135
  246   1HD   LYS  29          2HD       LYS  29   2.292   6.738   8.627
  247   2HD   LYS  29          1HD       LYS  29   3.072   5.229   9.104
  248   1HE   LYS  29          2HE       LYS  29   2.848   5.941  11.207
  249   2HE   LYS  29          1HE       LYS  29   4.145   7.078  10.843
  250   1HZ   LYS  29          1HZ       LYS  29   2.119   8.099  11.819
  251   2HZ   LYS  29          2HZ       LYS  29   1.270   7.675  10.419
  252   3HZ   LYS  29          3HZ       LYS  29   2.566   8.758  10.326
  253    H    GLU  30           H        GLU  30   5.493   3.196   8.545
  254    HA   GLU  30           HA       GLU  30   5.550   1.377   6.228
  255   1HB   GLU  30          2HB       GLU  30   6.193  -0.147   8.495
  256   2HB   GLU  30          1HB       GLU  30   7.250   0.291   7.162
  257   1HG   GLU  30          2HG       GLU  30   8.508   1.192   8.775
  258   2HG   GLU  30          1HG       GLU  30   7.379   2.540   8.649
  259    H    ALA  31           H        ALA  31   4.014  -0.124   6.034
  260    HA   ALA  31           HA       ALA  31   2.131  -0.608   8.219
  261   1HB   ALA  31          1HB       ALA  31   1.371   1.236   6.513
  262   2HB   ALA  31          2HB       ALA  31   0.231   0.013   7.075
  263   3HB   ALA  31          3HB       ALA  31   0.997  -0.155   5.495
  264    H    THR  32           H        THR  32   2.265  -2.755   8.489
  265    HA   THR  32           HA       THR  32   2.851  -4.448   6.194
  266    HB   THR  32           HB       THR  32   2.534  -5.546   8.955
  267    HG1  THR  32           1HG      THR  32   4.942  -5.000   9.017
  268   1HG2  THR  32          1HG2      THR  32   4.405  -6.154   6.660
  269   2HG2  THR  32          2HG2      THR  32   2.967  -7.075   7.096
  270   3HG2  THR  32          3HG2      THR  32   4.345  -7.022   8.194
  271    H    ILE  33           H        ILE  33   1.423  -5.633   5.167
  272    HA   ILE  33           HA       ILE  33  -1.028  -6.506   6.517
  273    HB   ILE  33           HB       ILE  33  -1.154  -5.500   3.686
  274   1HG1  ILE  33          2HG1      ILE  33  -2.283  -3.739   5.759
  275   2HG1  ILE  33          1HG1      ILE  33  -0.524  -3.807   5.742
  276   1HG2  ILE  33          1HG2      ILE  33  -3.415  -5.745   3.861
  277   2HG2  ILE  33          2HG2      ILE  33  -3.425  -5.452   5.600
  278   3HG2  ILE  33          3HG2      ILE  33  -2.893  -7.011   4.971
  279   1HD1  ILE  33          1HD1      ILE  33  -1.297  -3.527   3.071
  280   2HD1  ILE  33          2HD1      ILE  33  -0.552  -2.315   4.115
  281   3HD1  ILE  33          3HD1      ILE  33  -2.308  -2.414   3.992
  282    HA   PRO  34           HA       PRO  34   0.818 -10.168   4.591
  283   1HB   PRO  34          2HB       PRO  34  -1.384 -11.534   5.999
  284   2HB   PRO  34          1HB       PRO  34   0.359 -11.808   6.093
  285   1HG   PRO  34          2HG       PRO  34  -0.986 -10.649   8.103
  286   2HG   PRO  34          1HG       PRO  34   0.668 -10.161   7.685
  287   1HD   PRO  34          2HD       PRO  34  -1.925  -8.812   7.044
  288   2HD   PRO  34          1HD       PRO  34  -0.380  -8.098   7.540
  289    H    GLY  35           H        GLY  35   0.363 -10.247   2.485
  290   1HA   GLY  35          2HA       GLY  35  -0.770 -10.556   0.514
  291   2HA   GLY  35          1HA       GLY  35  -1.607 -11.814   1.404
  292    H    HIS  36           H        HIS  36  -1.931  -8.497   2.398
  293    HA   HIS  36           HA       HIS  36  -3.703  -7.074   2.444
  294   1HB   HIS  36          2HB       HIS  36  -3.340  -7.662  -0.187
  295   2HB   HIS  36          1HB       HIS  36  -5.014  -8.159   0.034
  296    HD2  HIS  36           2HD      HIS  36  -4.435  -5.218   2.278
  297    HE1  HIS  36           1HE      HIS  36  -5.778  -3.648  -1.418
  298    HE2  HIS  36           2HE      HIS  36  -5.153  -3.091   0.974
  299    H    LEU  37           H        LEU  37  -5.205  -7.326   3.935
  300    HA   LEU  37           HA       LEU  37  -6.681  -9.796   4.182
  301   1HB   LEU  37          2HB       LEU  37  -6.574  -7.250   5.784
  302   2HB   LEU  37          1HB       LEU  37  -7.744  -8.508   6.132
  303    HG   LEU  37           HG       LEU  37  -6.011 -10.069   6.709
  304   1HD1  LEU  37          1HD1      LEU  37  -4.417  -9.143   4.932
  305   2HD1  LEU  37          2HD1      LEU  37  -3.720  -9.725   6.443
  306   3HD1  LEU  37          3HD1      LEU  37  -3.916  -7.992   6.170
  307   1HD2  LEU  37          1HD2      LEU  37  -5.483  -7.363   7.930
  308   2HD2  LEU  37          2HD2      LEU  37  -4.958  -8.907   8.602
  309   3HD2  LEU  37          3HD2      LEU  37  -6.680  -8.542   8.468
  310    H    ASN  38           H        ASN  38  -7.253  -6.514   3.146
  311    HA   ASN  38           HA       ASN  38  -9.493  -7.141   1.588
  312   1HB   ASN  38          2HB       ASN  38 -11.331  -6.288   2.829
  313   2HB   ASN  38          1HB       ASN  38 -10.482  -7.367   3.929
  314   1HD2  ASN  38          1HD2      ASN  38  -8.316  -5.464   4.400
  315   2HD2  ASN  38          2HD2      ASN  38  -8.970  -4.245   5.435
  316    H    SER  39           H        SER  39 -10.838  -4.549   2.003
  317    HA   SER  39           HA       SER  39  -9.030  -2.954   0.436
  318   1HB   SER  39          2HB       SER  39 -11.249  -2.646  -0.226
  319   2HB   SER  39          1HB       SER  39 -11.843  -2.604   1.433
  320    HG   SER  39           HG       SER  39 -11.814  -0.526   0.454
  321    H    TYR  40           H        TYR  40  -7.338  -2.121   1.479
  322    HA   TYR  40           HA       TYR  40  -7.844  -0.699   4.007
  323   1HB   TYR  40          2HB       TYR  40  -6.433  -2.610   4.422
  324   2HB   TYR  40          1HB       TYR  40  -5.364  -2.174   3.095
  325    HD1  TYR  40           1HD      TYR  40  -6.481  -1.210   6.480
  326    HD2  TYR  40           2HD      TYR  40  -3.610  -0.596   3.402
  327    HE1  TYR  40           1HE      TYR  40  -5.088   0.077   8.046
  328    HE2  TYR  40           2HE      TYR  40  -2.209   0.691   4.959
  329    HH   TYR  40           HH       TYR  40  -2.882   2.119   7.291
  330    H    THR  41           H        THR  41  -7.601   1.414   3.931
  331    HA   THR  41           HA       THR  41  -5.883   2.567   1.830
  332    HB   THR  41           HB       THR  41  -8.051   4.234   2.980
  333    HG1  THR  41           1HG      THR  41  -8.502   1.838   1.683
  334   1HG2  THR  41          1HG2      THR  41  -6.843   5.346   1.347
  335   2HG2  THR  41          2HG2      THR  41  -8.208   4.718   0.424
  336   3HG2  THR  41          3HG2      THR  41  -6.649   3.899   0.358
  337    H    ILE  42           H        ILE  42  -4.502   4.203   2.372
  338    HA   ILE  42           HA       ILE  42  -3.987   4.553   5.216
  339    HB   ILE  42           HB       ILE  42  -2.434   5.329   2.752
  340   1HG1  ILE  42          2HG1      ILE  42  -2.415   2.950   3.530
  341   2HG1  ILE  42          1HG1      ILE  42  -0.830   3.712   3.513
  342   1HG2  ILE  42          1HG2      ILE  42  -0.801   5.713   4.980
  343   2HG2  ILE  42          2HG2      ILE  42  -2.321   6.518   5.368
  344   3HG2  ILE  42          3HG2      ILE  42  -1.444   6.950   3.900
  345   1HD1  ILE  42          1HD1      ILE  42  -1.079   2.373   5.494
  346   2HD1  ILE  42          2HD1      ILE  42  -2.562   3.223   5.924
  347   3HD1  ILE  42          3HD1      ILE  42  -1.020   4.078   5.941
  348    H    LYS  43           H        LYS  43  -4.467   6.341   6.340
  349    HA   LYS  43           HA       LYS  43  -5.461   8.673   4.841
  350   1HB   LYS  43          2HB       LYS  43  -6.293   7.459   7.452
  351   2HB   LYS  43          1HB       LYS  43  -6.581   9.167   7.147
  352   1HG   LYS  43          2HG       LYS  43  -7.464   7.742   4.872
  353   2HG   LYS  43          1HG       LYS  43  -8.099   6.920   6.299
  354   1HD   LYS  43          2HD       LYS  43  -9.102   8.953   7.092
  355   2HD   LYS  43          1HD       LYS  43  -8.328   9.888   5.810
  356   1HE   LYS  43          2HE       LYS  43  -9.627   8.082   4.317
  357   2HE   LYS  43          1HE       LYS  43 -10.701   8.121   5.716
  358   1HZ   LYS  43          1HZ       LYS  43 -10.262  10.736   5.253
  359   2HZ   LYS  43          2HZ       LYS  43 -11.598   9.870   4.681
  360   3HZ   LYS  43          3HZ       LYS  43 -10.257  10.114   3.680
  361    H    GLY  44           H        GLY  44  -5.052  10.783   5.758
  362   1HA   GLY  44          2HA       GLY  44  -3.824  11.960   7.613
  363   2HA   GLY  44          1HA       GLY  44  -2.515  10.836   7.275
  364    H    LEU  45           H        LEU  45  -4.341  11.981   4.603
  365    HA   LEU  45           HA       LEU  45  -2.188  13.872   3.928
  366   1HB   LEU  45          2HB       LEU  45  -3.713  12.433   1.786
  367   2HB   LEU  45          1HB       LEU  45  -2.113  13.139   1.730
  368    HG   LEU  45           HG       LEU  45  -1.389  11.255   3.296
  369   1HD1  LEU  45          1HD1      LEU  45  -3.108   9.252   2.533
  370   2HD1  LEU  45          2HD1      LEU  45  -4.200  10.584   2.917
  371   3HD1  LEU  45          3HD1      LEU  45  -3.050  10.012   4.124
  372   1HD2  LEU  45          1HD2      LEU  45  -1.085  11.489   0.747
  373   2HD2  LEU  45          2HD2      LEU  45  -2.332  10.246   0.643
  374   3HD2  LEU  45          3HD2      LEU  45  -0.823   9.912   1.493
  375    H    LYS  46           H        LYS  46  -3.056  15.298   1.933
  376    HA   LYS  46           HA       LYS  46  -5.834  16.088   2.445
  377   1HB   LYS  46          2HB       LYS  46  -5.121  18.482   2.514
  378   2HB   LYS  46          1HB       LYS  46  -4.551  17.534   3.882
  379   1HG   LYS  46          2HG       LYS  46  -2.524  18.320   3.453
  380   2HG   LYS  46          1HG       LYS  46  -2.521  17.321   2.001
  381   1HD   LYS  46          2HD       LYS  46  -1.996  19.473   1.256
  382   2HD   LYS  46          1HD       LYS  46  -3.707  19.277   0.872
  383   1HE   LYS  46          2HE       LYS  46  -3.542  20.313   3.495
  384   2HE   LYS  46          1HE       LYS  46  -2.438  21.255   2.495
  385   1HZ   LYS  46          1HZ       LYS  46  -5.354  20.903   2.190
  386   2HZ   LYS  46          2HZ       LYS  46  -4.396  21.399   0.887
  387   3HZ   LYS  46          3HZ       LYS  46  -4.466  22.340   2.291
  388    HA   PRO  47           HA       PRO  47  -6.221  16.738  -1.892
  389   1HB   PRO  47          2HB       PRO  47  -7.444  19.385  -1.500
  390   2HB   PRO  47          1HB       PRO  47  -8.147  17.914  -2.174
  391   1HG   PRO  47          2HG       PRO  47  -8.866  18.849   0.240
  392   2HG   PRO  47          1HG       PRO  47  -8.784  17.113  -0.108
  393   1HD   PRO  47          2HD       PRO  47  -6.837  18.845   1.362
  394   2HD   PRO  47          1HD       PRO  47  -7.376  17.193   1.728
  395    H    GLY  48           H        GLY  48  -4.319  17.100  -2.923
  396   1HA   GLY  48          2HA       GLY  48  -3.339  18.877  -4.355
  397   2HA   GLY  48          1HA       GLY  48  -3.314  19.878  -2.914
  398    H    VAL  49           H        VAL  49  -2.543  16.850  -1.887
  399    HA   VAL  49           HA       VAL  49   0.334  17.332  -2.312
  400    HB   VAL  49           HB       VAL  49  -0.325  17.777   0.024
  401   1HG1  VAL  49          1HG1      VAL  49  -1.194  16.128   1.461
  402   2HG1  VAL  49          2HG1      VAL  49  -0.918  14.844   0.284
  403   3HG1  VAL  49          3HG1      VAL  49  -2.177  16.044   0.000
  404   1HG2  VAL  49          1HG2      VAL  49   1.241  15.297   0.295
  405   2HG2  VAL  49          2HG2      VAL  49   1.614  16.940   0.819
  406   3HG2  VAL  49          3HG2      VAL  49   1.857  16.473  -0.866
  407    H    VAL  50           H        VAL  50   1.587  15.662  -2.934
  408    HA   VAL  50           HA       VAL  50   0.233  13.079  -3.328
  409    HB   VAL  50           HB       VAL  50   1.597  14.698  -5.205
  410   1HG1  VAL  50          1HG1      VAL  50   3.065  12.117  -4.682
  411   2HG1  VAL  50          2HG1      VAL  50   3.709  13.742  -4.446
  412   3HG1  VAL  50          3HG1      VAL  50   3.311  13.178  -6.069
  413   1HG2  VAL  50          1HG2      VAL  50   0.986  11.843  -5.766
  414   2HG2  VAL  50          2HG2      VAL  50   0.647  13.284  -6.730
  415   3HG2  VAL  50          3HG2      VAL  50  -0.335  12.921  -5.311
  416    H    TYR  51           H        TYR  51   1.163  11.246  -2.605
  417    HA   TYR  51           HA       TYR  51   3.699  11.528  -1.140
  418   1HB   TYR  51          2HB       TYR  51   1.281   9.776  -0.615
  419   2HB   TYR  51          1HB       TYR  51   2.864   9.376   0.043
  420    HD1  TYR  51           1HD      TYR  51   3.115   9.943   2.245
  421    HD2  TYR  51           2HD      TYR  51   0.810  12.498  -0.255
  422    HE1  TYR  51           1HE      TYR  51   2.726  11.443   4.150
  423    HE2  TYR  51           2HE      TYR  51   0.406  14.004   1.646
  424    HH   TYR  51           HH       TYR  51   0.817  14.421   3.787
  425    H    GLU  52           H        GLU  52   4.794   9.244  -0.983
  426    HA   GLU  52           HA       GLU  52   4.705   8.081  -3.704
  427   1HB   GLU  52          2HB       GLU  52   6.846   9.355  -2.642
  428   2HB   GLU  52          1HB       GLU  52   7.145   7.736  -2.026
  429   1HG   GLU  52          2HG       GLU  52   6.480   7.478  -4.752
  430   2HG   GLU  52          1HG       GLU  52   7.645   8.792  -4.616
  431    H    GLY  53           H        GLY  53   4.233   5.920  -3.783
  432   1HA   GLY  53          2HA       GLY  53   4.230   4.507  -1.189
  433   2HA   GLY  53          1HA       GLY  53   3.035   4.237  -2.445
  434    H    GLN  54           H        GLN  54   5.284   2.674  -0.953
  435    HA   GLN  54           HA       GLN  54   6.122   1.183  -3.338
  436   1HB   GLN  54          2HB       GLN  54   7.958   1.512  -0.977
  437   2HB   GLN  54          1HB       GLN  54   8.349   0.959  -2.599
  438   1HG   GLN  54          2HG       GLN  54   7.498   3.437  -3.164
  439   2HG   GLN  54          1HG       GLN  54   8.111   3.694  -1.530
  440   1HE2  GLN  54          1HE2      GLN  54   9.151   1.753  -4.319
  441   2HE2  GLN  54          2HE2      GLN  54  10.771   2.350  -4.344
  442    H    LEU  55           H        LEU  55   5.195  -0.770  -3.176
  443    HA   LEU  55           HA       LEU  55   4.747  -1.892  -0.504
  444   1HB   LEU  55          2HB       LEU  55   3.307  -1.997  -3.024
  445   2HB   LEU  55          1HB       LEU  55   3.563  -3.596  -2.356
  446    HG   LEU  55           HG       LEU  55   2.102  -1.291  -1.073
  447   1HD1  LEU  55          1HD1      LEU  55   1.192  -3.162  -2.812
  448   2HD1  LEU  55          2HD1      LEU  55   0.202  -2.364  -1.589
  449   3HD1  LEU  55          3HD1      LEU  55   0.894  -3.956  -1.264
  450   1HD2  LEU  55          1HD2      LEU  55   2.775  -2.095   0.897
  451   2HD2  LEU  55          2HD2      LEU  55   3.468  -3.542   0.164
  452   3HD2  LEU  55          3HD2      LEU  55   1.749  -3.487   0.552
  453    H    ILE  56           H        ILE  56   6.405  -3.063   0.179
  454    HA   ILE  56           HA       ILE  56   7.845  -4.756  -1.726
  455    HB   ILE  56           HB       ILE  56   8.574  -3.848   1.060
  456   1HG1  ILE  56          2HG1      ILE  56  10.568  -2.937  -0.394
  457   2HG1  ILE  56          1HG1      ILE  56   9.417  -3.086  -1.718
  458   1HG2  ILE  56          1HG2      ILE  56   9.539  -6.093  -0.509
  459   2HG2  ILE  56          2HG2      ILE  56   9.824  -5.690   1.184
  460   3HG2  ILE  56          3HG2      ILE  56  10.828  -4.970  -0.075
  461   1HD1  ILE  56          1HD1      ILE  56   8.844  -1.002  -1.161
  462   2HD1  ILE  56          2HD1      ILE  56   9.561  -1.130   0.445
  463   3HD1  ILE  56          3HD1      ILE  56   7.942  -1.765   0.148
  464    H    SER  57           H        SER  57   7.212  -6.812  -1.850
  465    HA   SER  57           HA       SER  57   5.693  -8.023   0.287
  466   1HB   SER  57          2HB       SER  57   4.921  -9.436  -1.292
  467   2HB   SER  57          1HB       SER  57   5.697  -8.352  -2.446
  468    HG   SER  57           HG       SER  57   7.564  -9.689  -2.297
  469    H    ILE  58           H        ILE  58   6.571  -9.020   1.915
  470    HA   ILE  58           HA       ILE  58   9.283 -10.116   1.654
  471    HB   ILE  58           HB       ILE  58   7.858  -9.294   4.186
  472   1HG1  ILE  58          2HG1      ILE  58  10.218  -7.858   3.021
  473   2HG1  ILE  58          1HG1      ILE  58   8.599  -7.496   2.429
  474   1HG2  ILE  58          1HG2      ILE  58  10.315 -10.752   3.642
  475   2HG2  ILE  58          2HG2      ILE  58   9.403 -10.589   5.143
  476   3HG2  ILE  58          3HG2      ILE  58  10.564  -9.346   4.676
  477   1HD1  ILE  58          1HD1      ILE  58   8.925  -5.911   4.073
  478   2HD1  ILE  58          2HD1      ILE  58   9.765  -7.039   5.138
  479   3HD1  ILE  58          3HD1      ILE  58   8.018  -7.164   4.921
  480    H    GLN  59           H        GLN  59   9.432 -12.228   1.572
  481    HA   GLN  59           HA       GLN  59   7.255 -13.915   2.490
  482   1HB   GLN  59          2HB       GLN  59   9.143 -13.990   0.379
  483   2HB   GLN  59          1HB       GLN  59   9.475 -15.361   1.418
  484   1HG   GLN  59          2HG       GLN  59   6.899 -14.692   0.034
  485   2HG   GLN  59          1HG       GLN  59   7.967 -16.056  -0.290
  486   1HE2  GLN  59          1HE2      GLN  59   7.864 -17.855   0.991
  487   2HE2  GLN  59          2HE2      GLN  59   6.648 -18.099   2.192
  488    H    GLN  60           H        GLN  60   8.371 -16.186   3.284
  489    HA   GLN  60           HA       GLN  60   9.231 -15.668   5.905
  490   1HB   GLN  60          2HB       GLN  60   9.762 -18.268   4.489
  491   2HB   GLN  60          1HB       GLN  60   9.392 -17.999   6.187
  492   1HG   GLN  60          2HG       GLN  60   7.169 -17.009   4.934
  493   2HG   GLN  60          1HG       GLN  60   7.611 -18.378   3.915
  494   1HE2  GLN  60          1HE2      GLN  60   7.049 -20.349   4.553
  495   2HE2  GLN  60          2HE2      GLN  60   6.425 -20.759   6.112
  496    H    TYR  61           H        TYR  61  10.978 -15.722   2.969
  497    HA   TYR  61           HA       TYR  61  13.527 -16.089   4.380
  498   1HB   TYR  61          2HB       TYR  61  14.465 -16.828   2.419
  499   2HB   TYR  61          1HB       TYR  61  12.796 -17.313   2.147
  500    HD1  TYR  61           1HD      TYR  61  11.305 -15.534   0.903
  501    HD2  TYR  61           2HD      TYR  61  15.558 -15.607   0.786
  502    HE1  TYR  61           1HE      TYR  61  11.265 -14.218  -1.173
  503    HE2  TYR  61           2HE      TYR  61  15.530 -14.290  -1.290
  504    HH   TYR  61           HH       TYR  61  13.517 -14.017  -3.271
  505    H    GLY  62           H        GLY  62  11.509 -13.637   3.438
  506   1HA   GLY  62          2HA       GLY  62  12.365 -11.398   4.122
  507   2HA   GLY  62          1HA       GLY  62  13.775 -11.762   3.139
  508    H    HIS  63           H        HIS  63  12.785  -9.488   2.480
  509    HA   HIS  63           HA       HIS  63  10.562  -9.195   0.893
  510   1HB   HIS  63          2HB       HIS  63  11.614  -7.252  -0.048
  511   2HB   HIS  63          1HB       HIS  63  12.123  -7.376   1.632
  512    HD2  HIS  63           2HD      HIS  63  13.880  -5.848  -0.775
  513    HE1  HIS  63           1HE      HIS  63  16.554  -9.037  -0.005
  514    HE2  HIS  63           2HE      HIS  63  16.336  -6.674  -0.899
  515    H    GLN  64           H        GLN  64  10.310  -9.061  -1.451
  516    HA   GLN  64           HA       GLN  64  12.218 -10.295  -3.169
  517   1HB   GLN  64          2HB       GLN  64  10.735 -12.226  -3.805
  518   2HB   GLN  64          1HB       GLN  64  11.491 -12.347  -2.223
  519   1HG   GLN  64          2HG       GLN  64   9.525 -12.144  -1.108
  520   2HG   GLN  64          1HG       GLN  64   8.794 -11.136  -2.354
  521   1HE2  GLN  64          1HE2      GLN  64   9.734 -14.426  -1.552
  522   2HE2  GLN  64          2HE2      GLN  64   8.576 -15.203  -2.571
  523    H    GLU  65           H        GLU  65   9.613  -8.347  -2.631
  524    HA   GLU  65           HA       GLU  65   9.218  -7.967  -5.502
  525   1HB   GLU  65          2HB       GLU  65   7.380  -9.414  -4.066
  526   2HB   GLU  65          1HB       GLU  65   6.714  -7.790  -3.983
  527   1HG   GLU  65          2HG       GLU  65   7.326  -7.944  -6.612
  528   2HG   GLU  65          1HG       GLU  65   6.932  -9.627  -6.259
  529    H    VAL  66           H        VAL  66   9.058  -5.861  -6.059
  530    HA   VAL  66           HA       VAL  66   8.366  -3.912  -3.976
  531    HB   VAL  66           HB       VAL  66  10.723  -3.626  -5.843
  532   1HG1  VAL  66          1HG1      VAL  66  10.114  -1.445  -5.627
  533   2HG1  VAL  66          2HG1      VAL  66  11.018  -1.611  -4.121
  534   3HG1  VAL  66          3HG1      VAL  66   9.259  -1.720  -4.109
  535   1HG2  VAL  66          1HG2      VAL  66  11.835  -4.736  -4.262
  536   2HG2  VAL  66          2HG2      VAL  66  10.451  -4.704  -3.171
  537   3HG2  VAL  66          3HG2      VAL  66  11.569  -3.342  -3.216
  538    H    THR  67           H        THR  67   7.031  -2.328  -4.632
  539    HA   THR  67           HA       THR  67   6.699  -1.849  -7.509
  540    HB   THR  67           HB       THR  67   4.315  -2.112  -5.680
  541    HG1  THR  67           1HG      THR  67   4.845  -4.186  -5.759
  542   1HG2  THR  67          1HG2      THR  67   4.182  -0.802  -7.846
  543   2HG2  THR  67          2HG2      THR  67   3.029  -2.125  -7.673
  544   3HG2  THR  67          3HG2      THR  67   4.462  -2.330  -8.682
  545    H    ARG  68           H        ARG  68   6.343   0.247  -8.053
  546    HA   ARG  68           HA       ARG  68   6.174   2.180  -5.837
  547   1HB   ARG  68          2HB       ARG  68   7.124   2.794  -8.630
  548   2HB   ARG  68          1HB       ARG  68   7.383   3.728  -7.162
  549   1HG   ARG  68          2HG       ARG  68   9.167   2.515  -6.551
  550   2HG   ARG  68          1HG       ARG  68   8.451   0.998  -7.089
  551   1HD   ARG  68          2HD       ARG  68   9.006   2.666  -9.351
  552   2HD   ARG  68          1HD       ARG  68  10.453   2.510  -8.356
  553    HE   ARG  68           HE       ARG  68   8.948   0.212  -9.433
  554   1HH1  ARG  68          1HH1      ARG  68  11.933   1.770  -8.526
  555   2HH1  ARG  68          2HH1      ARG  68  12.924   0.432  -9.003
  556   1HH2  ARG  68          1HH2      ARG  68  10.247  -1.553 -10.059
  557   2HH2  ARG  68          2HH2      ARG  68  11.966  -1.456  -9.874
  558    H    PHE  69           H        PHE  69   4.620   3.759  -5.835
  559    HA   PHE  69           HA       PHE  69   2.906   4.098  -8.143
  560   1HB   PHE  69          2HB       PHE  69   0.986   3.939  -6.200
  561   2HB   PHE  69          1HB       PHE  69   1.328   2.704  -7.404
  562    HD1  PHE  69           1HD      PHE  69   1.464   3.608  -3.912
  563    HD2  PHE  69           2HD      PHE  69   2.725   0.753  -6.803
  564    HE1  PHE  69           1HE      PHE  69   1.964   2.011  -2.110
  565    HE2  PHE  69           2HE      PHE  69   3.232  -0.850  -5.005
  566    HZ   PHE  69           HZ       PHE  69   2.849  -0.220  -2.655
  567    H    ASP  70           H        ASP  70   1.350   5.810  -7.955
  568    HA   ASP  70           HA       ASP  70   2.538   8.039  -6.493
  569   1HB   ASP  70          2HB       ASP  70   0.194   8.798  -7.980
  570   2HB   ASP  70          1HB       ASP  70   1.869   9.253  -8.272
  571    H    PHE  71           H        PHE  71   1.488   9.118  -4.921
  572    HA   PHE  71           HA       PHE  71  -0.870   7.778  -3.818
  573   1HB   PHE  71          2HB       PHE  71   1.648   7.867  -2.998
  574   2HB   PHE  71          1HB       PHE  71   1.059   9.337  -2.210
  575    HD1  PHE  71           1HD      PHE  71  -0.944   9.108  -0.681
  576    HD2  PHE  71           2HD      PHE  71   1.337   5.844  -2.116
  577    HE1  PHE  71           1HE      PHE  71  -1.731   7.750   1.217
  578    HE2  PHE  71           2HE      PHE  71   0.561   4.453  -0.228
  579    HZ   PHE  71           HZ       PHE  71  -0.964   5.432   1.440
  580    H    THR  72           H        THR  72  -2.554   8.921  -3.108
  581    HA   THR  72           HA       THR  72  -2.474  11.761  -2.625
  582    HB   THR  72           HB       THR  72  -4.517  12.153  -4.070
  583    HG1  THR  72           1HG      THR  72  -3.885   9.532  -4.773
  584   1HG2  THR  72          1HG2      THR  72  -2.352  11.465  -5.960
  585   2HG2  THR  72          2HG2      THR  72  -1.909  12.522  -4.618
  586   3HG2  THR  72          3HG2      THR  72  -3.207  12.989  -5.719
  587    H    THR  73           H        THR  73  -4.736  12.479  -1.806
  588    HA   THR  73           HA       THR  73  -5.913  10.213  -0.327
  589    HB   THR  73           HB       THR  73  -4.940  11.570   1.313
  590    HG1  THR  73           1HG      THR  73  -7.518  12.718   1.278
  591   1HG2  THR  73          1HG2      THR  73  -5.440  14.063   1.387
  592   2HG2  THR  73          2HG2      THR  73  -6.006  13.893  -0.273
  593   3HG2  THR  73          3HG2      THR  73  -4.331  13.520   0.128
  594    H    THR  74           H        THR  74  -6.859  13.543  -1.193
  595    HA   THR  74           HA       THR  74  -9.551  12.535  -1.790
  596    HB   THR  74           HB       THR  74 -10.438  14.412  -0.912
  597    HG1  THR  74           1HG      THR  74  -9.752  15.789  -2.553
  598   1HG2  THR  74          1HG2      THR  74  -9.367  15.092   1.005
  599   2HG2  THR  74          2HG2      THR  74  -7.798  15.239   0.213
  600   3HG2  THR  74          3HG2      THR  74  -8.431  13.646   0.631
  601    H    SER  75           H        SER  75  -6.838  14.336  -3.052
  602    HA   SER  75           HA       SER  75  -8.180  15.166  -5.454
  603   1HB   SER  75          2HB       SER  75  -6.120  16.252  -4.265
  604   2HB   SER  75          1HB       SER  75  -5.190  15.057  -5.169
  605    HG   SER  75           HG       SER  75  -7.075  16.744  -6.429
  606    H    THR  76           H        THR  76  -8.975  13.278  -6.388
  607    HA   THR  76           HA       THR  76  -7.659  10.889  -6.805
  608    HB   THR  76           HB       THR  76  -9.392  11.885  -9.014
  609    HG1  THR  76           1HG      THR  76 -10.462  11.204  -6.466
  610   1HG2  THR  76          1HG2      THR  76  -9.842   9.703  -9.298
  611   2HG2  THR  76          2HG2      THR  76 -10.064   9.427  -7.570
  612   3HG2  THR  76          3HG2      THR  76  -8.441   9.431  -8.262
  613    H    SER  77           H        SER  77  -5.639  10.755  -7.566
  614    HA   SER  77           HA       SER  77  -5.131  11.404 -10.314
  615   1HB   SER  77          2HB       SER  77  -4.672  13.511  -8.736
  616   2HB   SER  77          1HB       SER  77  -3.141  12.669  -8.492
  617    HG   SER  77           HG       SER  77  -2.572  13.123 -10.474
  618    H    THR  78           H        THR  78  -4.491   9.359 -10.746
  619    HA   THR  78           HA       THR  78  -1.992   8.471  -9.513
  620    HB   THR  78           HB       THR  78  -3.657   6.166  -9.935
  621    HG1  THR  78           1HG      THR  78  -5.329   7.757  -9.414
  622   1HG2  THR  78          1HG2      THR  78  -2.486   7.347  -7.411
  623   2HG2  THR  78          2HG2      THR  78  -1.640   6.272  -8.525
  624   3HG2  THR  78          3HG2      THR  78  -3.040   5.686  -7.628
  625    HA   PRO  79           HA       PRO  79  -2.158   7.868 -14.135
  626   1HB   PRO  79          2HB       PRO  79   0.268   9.450 -14.272
  627   2HB   PRO  79          1HB       PRO  79  -1.305   9.775 -15.002
  628   1HG   PRO  79          2HG       PRO  79  -0.256  11.263 -12.972
  629   2HG   PRO  79          1HG       PRO  79  -1.997  11.068 -13.244
  630   1HD   PRO  79          2HD       PRO  79  -0.217   9.676 -11.276
  631   2HD   PRO  79          1HD       PRO  79  -1.865  10.306 -11.058
  632    H    GLY  80           H        GLY  80   0.152   7.555 -15.495
  633   1HA   GLY  80          2HA       GLY  80   1.895   6.110 -15.874
  634   2HA   GLY  80          1HA       GLY  80   2.239   6.216 -14.154
  635    H    SER  81           H        SER  81   0.881   4.332 -16.682
  636    HA   SER  81           HA       SER  81   0.047   2.218 -16.787
  637   1HB   SER  81          2HB       SER  81   1.707   2.028 -14.268
  638   2HB   SER  81          1HB       SER  81   0.909   0.633 -14.994
  639    HG   SER  81           HG       SER  81   2.363   0.600 -16.521
  640    H    ARG  82           H        ARG  82  -0.571   0.559 -14.383
  641    HA   ARG  82           HA       ARG  82  -2.381   0.055 -13.104
  642   1HB   ARG  82          2HB       ARG  82  -1.730   2.836 -12.511
  643   2HB   ARG  82          1HB       ARG  82  -3.425   2.469 -12.224
  644   1HG   ARG  82          2HG       ARG  82  -2.910   1.502 -10.307
  645   2HG   ARG  82          1HG       ARG  82  -1.854   0.360 -11.142
  646   1HD   ARG  82          2HD       ARG  82  -0.049   2.063 -11.073
  647   2HD   ARG  82          1HD       ARG  82  -1.109   3.097 -10.117
  648    HE   ARG  82           HE       ARG  82  -0.642   1.815  -8.284
  649   1HH1  ARG  82          1HH1      ARG  82   0.295   0.068 -11.150
  650   2HH1  ARG  82          2HH1      ARG  82   1.057  -1.217 -10.273
  651   1HH2  ARG  82          1HH2      ARG  82   0.362   0.130  -7.123
  652   2HH2  ARG  82          2HH2      ARG  82   1.093  -1.182  -7.984
  653    H    SER  83           H        SER  83  -4.693   1.954 -12.753
  654    HA   SER  83           HA       SER  83  -6.349   0.951 -14.774
  655   1HB   SER  83          2HB       SER  83  -6.926   3.500 -13.269
  656   2HB   SER  83          1HB       SER  83  -8.068   2.289 -13.852
  657    HG   SER  83           HG       SER  83  -6.192   1.297 -12.114
  658    H    HIS  84           H        HIS  84  -7.748   2.536 -16.149
  659    HA   HIS  84           HA       HIS  84  -5.864   4.161 -17.712
  660   1HB   HIS  84          2HB       HIS  84  -7.523   3.922 -19.554
  661   2HB   HIS  84          1HB       HIS  84  -6.878   2.383 -18.995
  662    HD2  HIS  84           2HD      HIS  84 -10.214   4.406 -18.934
  663    HE1  HIS  84           1HE      HIS  84 -10.961   0.420 -17.727
  664    HE2  HIS  84           2HE      HIS  84 -11.998   2.694 -18.149
  665    H    HIS  85           H        HIS  85  -6.376   6.242 -18.371
  666    HA   HIS  85           HA       HIS  85  -8.869   7.474 -17.619
  667   1HB   HIS  85          2HB       HIS  85  -6.525   7.693 -15.898
  668   2HB   HIS  85          1HB       HIS  85  -7.103   9.266 -16.439
  669    HD2  HIS  85           2HD      HIS  85  -7.624   7.092 -13.553
  670    HE1  HIS  85           1HE      HIS  85 -11.391   8.908 -14.205
  671    HE2  HIS  85           2HE      HIS  85 -10.032   7.438 -12.651
  672    H    HIS  86           H        HIS  86  -5.551   8.682 -18.089
  673    HA   HIS  86           HA       HIS  86  -6.537  10.379 -20.262
  674   1HB   HIS  86          2HB       HIS  86  -4.693  10.787 -18.162
  675   2HB   HIS  86          1HB       HIS  86  -3.750  10.783 -19.649
  676    HD2  HIS  86           2HD      HIS  86  -7.334  12.318 -19.622
  677    HE1  HIS  86           1HE      HIS  86  -4.481  15.424 -19.977
  678    HE2  HIS  86           2HE      HIS  86  -6.953  14.874 -19.862
  679    H    HIS  87           H        HIS  87  -5.718   7.378 -20.215
  680    HA   HIS  87           HA       HIS  87  -3.705   7.444 -22.345
  681   1HB   HIS  87          2HB       HIS  87  -4.797   5.023 -20.905
  682   2HB   HIS  87          1HB       HIS  87  -3.363   5.101 -21.923
  683    HD2  HIS  87           2HD      HIS  87  -4.405   5.555 -18.281
  684    HE1  HIS  87           1HE      HIS  87  -0.390   6.840 -18.647
  685    HE2  HIS  87           2HE      HIS  87  -2.196   6.090 -17.031
  686    H    HIS  88           H        HIS  88  -4.253   5.119 -23.674
  687    HA   HIS  88           HA       HIS  88  -7.001   5.333 -24.657
  688   1HB   HIS  88          2HB       HIS  88  -4.929   6.573 -25.992
  689   2HB   HIS  88          1HB       HIS  88  -5.061   5.029 -26.828
  690    HD2  HIS  88           2HD      HIS  88  -7.978   4.534 -27.477
  691    HE1  HIS  88           1HE      HIS  88  -8.391   8.658 -28.325
  692    HE2  HIS  88           2HE      HIS  88  -9.515   6.388 -28.441
  693    H    HIS  89           H        HIS  89  -7.886   3.395 -25.017
  694    HA   HIS  89           HA       HIS  89  -6.096   1.060 -25.098
  695   1HB   HIS  89          2HB       HIS  89  -8.358   1.621 -23.497
  696   2HB   HIS  89          1HB       HIS  89  -8.838   0.346 -24.613
  697    HD2  HIS  89           2HD      HIS  89  -6.135   0.957 -21.831
  698    HE1  HIS  89           1HE      HIS  89  -6.626  -3.196 -22.474
  699    HE2  HIS  89           2HE      HIS  89  -5.627  -1.430 -20.953
  Start of MODEL   34
    1   1H    MET   1          1HT       MET   1 -13.142 -12.144  21.166
    2   2H    MET   1          2HT       MET   1 -12.343 -11.469  22.495
    3   3H    MET   1          3HT       MET   1 -11.496 -12.453  21.411
    4    HA   MET   1           HA       MET   1 -12.539  -9.725  20.978
    5   1HB   MET   1          2HB       MET   1 -10.095 -10.730  21.814
    6   2HB   MET   1          1HB       MET   1  -9.843 -10.425  20.102
    7   1HG   MET   1          2HG       MET   1 -10.579  -8.117  20.402
    8   2HG   MET   1          1HG       MET   1 -10.831  -8.424  22.119
    9   1HE   MET   1          1HE       MET   1  -8.744  -6.288  20.284
   10   2HE   MET   1          2HE       MET   1  -7.589  -6.080  21.601
   11   3HE   MET   1          3HE       MET   1  -9.320  -6.059  21.935
   12    H    ARG   2           H        ARG   2 -13.536  -9.427  19.101
   13    HA   ARG   2           HA       ARG   2 -12.927 -11.209  16.852
   14   1HB   ARG   2          2HB       ARG   2 -15.328 -10.057  17.864
   15   2HB   ARG   2          1HB       ARG   2 -15.062  -9.417  16.249
   16   1HG   ARG   2          2HG       ARG   2 -16.401 -11.364  16.040
   17   2HG   ARG   2          1HG       ARG   2 -14.788 -11.767  15.449
   18   1HD   ARG   2          2HD       ARG   2 -14.371 -12.595  17.863
   19   2HD   ARG   2          1HD       ARG   2 -16.128 -12.590  17.999
   20    HE   ARG   2           HE       ARG   2 -15.195 -13.989  15.682
   21   1HH1  ARG   2          1HH1      ARG   2 -15.796 -14.257  19.105
   22   2HH1  ARG   2          2HH1      ARG   2 -16.000 -15.977  19.063
   23   1HH2  ARG   2          1HH2      ARG   2 -15.459 -16.251  15.620
   24   2HH2  ARG   2          2HH2      ARG   2 -15.808 -17.110  17.084
   25    H    GLY   3           H        GLY   3 -11.523 -10.514  15.390
   26   1HA   GLY   3          2HA       GLY   3 -11.660  -7.744  14.474
   27   2HA   GLY   3          1HA       GLY   3 -10.128  -8.279  15.150
   28    H    SER   4           H        SER   4  -8.714  -8.695  13.599
   29    HA   SER   4           HA       SER   4  -9.608 -10.247  11.267
   30   1HB   SER   4          2HB       SER   4  -9.219  -7.669  10.916
   31   2HB   SER   4          1HB       SER   4  -7.516  -8.129  10.922
   32    HG   SER   4           HG       SER   4  -8.565  -8.127   8.818
   33    H    ASN   5           H        ASN   5  -8.639 -12.152  11.618
   34    HA   ASN   5           HA       ASN   5  -6.134 -12.447  12.926
   35   1HB   ASN   5          2HB       ASN   5  -6.422 -14.748  12.662
   36   2HB   ASN   5          1HB       ASN   5  -8.078 -14.151  12.686
   37   1HD2  ASN   5          1HD2      ASN   5  -8.926 -13.562  10.446
   38   2HD2  ASN   5          2HD2      ASN   5  -8.593 -14.702   9.191
   39    H    ALA   6           H        ALA   6  -7.051 -11.836   9.671
   40    HA   ALA   6           HA       ALA   6  -5.881 -11.567   7.738
   41   1HB   ALA   6          1HB       ALA   6  -4.474  -9.972   8.518
   42   2HB   ALA   6          2HB       ALA   6  -3.276 -11.236   8.235
   43   3HB   ALA   6          3HB       ALA   6  -3.908 -10.968   9.859
   44    HA   PRO   7           HA       PRO   7  -4.938 -16.044   7.442
   45   1HB   PRO   7          2HB       PRO   7  -5.422 -16.047   4.711
   46   2HB   PRO   7          1HB       PRO   7  -6.623 -16.395   5.958
   47   1HG   PRO   7          2HG       PRO   7  -6.117 -13.857   4.468
   48   2HG   PRO   7          1HG       PRO   7  -7.657 -14.584   4.963
   49   1HD   PRO   7          2HD       PRO   7  -6.595 -12.511   6.292
   50   2HD   PRO   7          1HD       PRO   7  -7.469 -13.805   7.139
   51    H    GLN   8           H        GLN   8  -2.974 -16.845   7.133
   52    HA   GLN   8           HA       GLN   8  -1.285 -15.957   4.962
   53   1HB   GLN   8          2HB       GLN   8   0.629 -15.574   6.675
   54   2HB   GLN   8          1HB       GLN   8  -0.527 -14.281   6.386
   55   1HG   GLN   8          2HG       GLN   8  -1.790 -15.290   8.406
   56   2HG   GLN   8          1HG       GLN   8  -0.250 -16.071   8.761
   57   1HE2  GLN   8          1HE2      GLN   8   1.661 -14.500   8.647
   58   2HE2  GLN   8          2HE2      GLN   8   1.433 -12.980   9.438
   59    HA   PRO   9           HA       PRO   9  -0.836 -20.398   6.368
   60   1HB   PRO   9          2HB       PRO   9  -1.510 -21.092   3.616
   61   2HB   PRO   9          1HB       PRO   9  -2.300 -21.591   5.113
   62   1HG   PRO   9          2HG       PRO   9  -3.463 -19.910   3.335
   63   2HG   PRO   9          1HG       PRO   9  -3.771 -19.829   5.080
   64   1HD   PRO   9          2HD       PRO   9  -1.967 -18.133   3.391
   65   2HD   PRO   9          1HD       PRO   9  -3.062 -17.650   4.707
   66    H    SER  10           H        SER  10  -0.283 -19.910   2.902
   67    HA   SER  10           HA       SER  10   2.605 -20.224   3.351
   68   1HB   SER  10          2HB       SER  10   1.313 -21.508   0.969
   69   2HB   SER  10          1HB       SER  10   2.829 -21.917   1.772
   70    HG   SER  10           HG       SER  10   0.338 -22.225   3.065
   71    H    HIS  11           H        HIS  11   0.249 -18.282   2.241
   72    HA   HIS  11           HA       HIS  11   1.239 -17.454  -0.284
   73   1HB   HIS  11          2HB       HIS  11  -0.624 -16.207   1.726
   74   2HB   HIS  11          1HB       HIS  11  -0.139 -15.339   0.272
   75    HD2  HIS  11           2HD      HIS  11  -0.653 -17.123  -2.126
   76    HE1  HIS  11           1HE      HIS  11  -4.212 -18.438  -0.254
   77    HE2  HIS  11           2HE      HIS  11  -2.867 -18.445  -2.403
   78    H    ILE  12           H        ILE  12   0.933 -14.811   1.905
   79    HA   ILE  12           HA       ILE  12   3.804 -14.282   1.604
   80    HB   ILE  12           HB       ILE  12   1.789 -12.663   0.878
   81   1HG1  ILE  12          2HG1      ILE  12   3.623 -10.785   1.574
   82   2HG1  ILE  12          1HG1      ILE  12   4.595 -12.252   1.692
   83   1HG2  ILE  12          1HG2      ILE  12   2.411 -11.888   3.721
   84   2HG2  ILE  12          2HG2      ILE  12   0.842 -12.342   3.055
   85   3HG2  ILE  12          3HG2      ILE  12   1.610 -10.835   2.554
   86   1HD1  ILE  12          1HD1      ILE  12   4.951 -11.766  -0.489
   87   2HD1  ILE  12          2HD1      ILE  12   3.389 -10.968  -0.685
   88   3HD1  ILE  12          3HD1      ILE  12   3.485 -12.728  -0.666
   89    H    SER  13           H        SER  13   5.043 -13.572   3.357
   90    HA   SER  13           HA       SER  13   4.234 -14.624   5.906
   91   1HB   SER  13          2HB       SER  13   6.697 -13.846   4.666
   92   2HB   SER  13          1HB       SER  13   6.538 -12.963   6.183
   93    HG   SER  13           HG       SER  13   7.544 -15.041   6.406
   94    H    LYS  14           H        LYS  14   4.772 -11.469   4.453
   95    HA   LYS  14           HA       LYS  14   2.743 -10.175   5.893
   96   1HB   LYS  14          2HB       LYS  14   4.322  -8.590   7.172
   97   2HB   LYS  14          1HB       LYS  14   4.014 -10.177   7.861
   98   1HG   LYS  14          2HG       LYS  14   6.219 -10.641   6.315
   99   2HG   LYS  14          1HG       LYS  14   6.500  -8.998   6.895
  100   1HD   LYS  14          2HD       LYS  14   5.538 -10.885   8.934
  101   2HD   LYS  14          1HD       LYS  14   7.134 -11.252   8.275
  102   1HE   LYS  14          2HE       LYS  14   7.168  -8.507   8.707
  103   2HE   LYS  14          1HE       LYS  14   6.319  -9.162  10.107
  104   1HZ   LYS  14          1HZ       LYS  14   8.189 -10.041  10.904
  105   2HZ   LYS  14          2HZ       LYS  14   9.009  -9.049   9.807
  106   3HZ   LYS  14          3HZ       LYS  14   8.670 -10.656   9.402
  107    H    TYR  15           H        TYR  15   2.347  -8.099   5.069
  108    HA   TYR  15           HA       TYR  15   4.011  -7.385   2.751
  109   1HB   TYR  15          2HB       TYR  15   1.156  -7.131   3.422
  110   2HB   TYR  15          1HB       TYR  15   1.844  -5.712   2.652
  111    HD1  TYR  15           1HD      TYR  15   0.657  -9.087   2.185
  112    HD2  TYR  15           2HD      TYR  15   2.883  -5.940   0.386
  113    HE1  TYR  15           1HE      TYR  15   0.364 -10.145  -0.016
  114    HE2  TYR  15           2HE      TYR  15   2.603  -6.985  -1.819
  115    HH   TYR  15           HH       TYR  15   1.964  -9.901  -2.405
  116    H    ILE  16           H        ILE  16   4.727  -5.212   2.461
  117    HA   ILE  16           HA       ILE  16   4.622  -3.563   4.893
  118    HB   ILE  16           HB       ILE  16   6.987  -4.345   3.255
  119   1HG1  ILE  16          2HG1      ILE  16   6.469  -5.225   5.564
  120   2HG1  ILE  16          1HG1      ILE  16   8.060  -4.490   5.391
  121   1HG2  ILE  16          1HG2      ILE  16   8.014  -2.190   4.507
  122   2HG2  ILE  16          2HG2      ILE  16   6.401  -1.584   4.125
  123   3HG2  ILE  16          3HG2      ILE  16   7.450  -2.173   2.836
  124   1HD1  ILE  16          1HD1      ILE  16   7.534  -3.379   7.249
  125   2HD1  ILE  16          2HD1      ILE  16   5.815  -3.729   7.081
  126   3HD1  ILE  16          3HD1      ILE  16   6.528  -2.375   6.204
  127    H    LEU  17           H        LEU  17   3.765  -1.648   4.581
  128    HA   LEU  17           HA       LEU  17   3.719  -0.564   1.847
  129   1HB   LEU  17          2HB       LEU  17   1.569  -1.101   3.322
  130   2HB   LEU  17          1HB       LEU  17   1.929   0.485   3.976
  131    HG   LEU  17           HG       LEU  17   2.009   0.583   1.103
  132   1HD1  LEU  17          1HD1      LEU  17   0.295  -1.376   1.830
  133   2HD1  LEU  17          2HD1      LEU  17   0.084  -0.353   0.408
  134   3HD1  LEU  17          3HD1      LEU  17  -0.766   0.030   1.905
  135   1HD2  LEU  17          1HD2      LEU  17   1.563   2.623   1.943
  136   2HD2  LEU  17          2HD2      LEU  17   0.764   1.976   3.377
  137   3HD2  LEU  17          3HD2      LEU  17  -0.113   2.084   1.851
  138    H    ARG  18           H        ARG  18   5.188   0.961   1.564
  139    HA   ARG  18           HA       ARG  18   5.849   2.702   3.839
  140   1HB   ARG  18          2HB       ARG  18   7.786   2.840   1.709
  141   2HB   ARG  18          1HB       ARG  18   8.019   2.404   3.396
  142   1HG   ARG  18          2HG       ARG  18   6.892   0.139   2.452
  143   2HG   ARG  18          1HG       ARG  18   7.759   0.699   1.021
  144   1HD   ARG  18          2HD       ARG  18   9.138   0.656   3.670
  145   2HD   ARG  18          1HD       ARG  18   8.940  -0.846   2.765
  146    HE   ARG  18           HE       ARG  18  10.012   1.159   1.088
  147   1HH1  ARG  18          1HH1      ARG  18  10.880  -0.929   3.740
  148   2HH1  ARG  18          2HH1      ARG  18  12.563  -0.963   3.333
  149   1HH2  ARG  18          1HH2      ARG  18  12.230   1.120   0.544
  150   2HH2  ARG  18          2HH2      ARG  18  13.330   0.202   1.517
  151    H    TRP  19           H        TRP  19   5.456   4.814   3.667
  152    HA   TRP  19           HA       TRP  19   5.174   5.967   1.004
  153   1HB   TRP  19          2HB       TRP  19   3.021   6.796   1.282
  154   2HB   TRP  19          1HB       TRP  19   2.913   5.188   1.984
  155    HD1  TRP  19           HD       TRP  19   2.795   8.883   2.925
  156    HE1  TRP  19           1HE      TRP  19   1.886   9.096   5.325
  157    HE3  TRP  19           3HE      TRP  19   2.773   3.937   4.231
  158    HZ2  TRP  19           2HZ      TRP  19   1.248   7.394   7.484
  159    HZ3  TRP  19           3HZ      TRP  19   1.997   3.316   6.482
  160    HH2  TRP  19           HH       TRP  19   1.251   5.010   8.074
  161    H    ARG  20           H        ARG  20   5.452   8.175   0.855
  162    HA   ARG  20           HA       ARG  20   6.001   9.773   3.180
  163   1HB   ARG  20          2HB       ARG  20   8.174   9.190   3.318
  164   2HB   ARG  20          1HB       ARG  20   8.170   8.447   1.727
  165   1HG   ARG  20          2HG       ARG  20   8.104  11.394   1.767
  166   2HG   ARG  20          1HG       ARG  20   9.585  10.639   2.357
  167   1HD   ARG  20          2HD       ARG  20   8.852   9.253   0.020
  168   2HD   ARG  20          1HD       ARG  20   8.669  10.970  -0.337
  169    HE   ARG  20           HE       ARG  20  11.166   9.842   0.750
  170   1HH1  ARG  20          1HH1      ARG  20   9.444  11.838  -1.528
  171   2HH1  ARG  20          2HH1      ARG  20  10.882  12.462  -2.266
  172   1HH2  ARG  20          1HH2      ARG  20  13.065  10.655  -0.215
  173   2HH2  ARG  20          2HH2      ARG  20  12.941  11.788  -1.520
  174    HA   PRO  21           HA       PRO  21   4.572  12.982   0.522
  175   1HB   PRO  21          2HB       PRO  21   6.642  14.706   1.781
  176   2HB   PRO  21          1HB       PRO  21   4.896  14.948   1.660
  177   1HG   PRO  21          2HG       PRO  21   5.990  14.231   3.971
  178   2HG   PRO  21          1HG       PRO  21   4.445  13.535   3.445
  179   1HD   PRO  21          2HD       PRO  21   7.178  12.325   3.384
  180   2HD   PRO  21          1HD       PRO  21   5.625  11.578   3.802
  181    H    LYS  22           H        LYS  22   5.084  12.869  -1.562
  182    HA   LYS  22           HA       LYS  22   7.785  12.764  -2.515
  183   1HB   LYS  22          2HB       LYS  22   5.071  12.664  -3.714
  184   2HB   LYS  22          1HB       LYS  22   6.373  13.212  -4.759
  185   1HG   LYS  22          2HG       LYS  22   7.592  11.160  -4.380
  186   2HG   LYS  22          1HG       LYS  22   6.364  10.617  -3.236
  187   1HD   LYS  22          2HD       LYS  22   5.681   9.518  -5.130
  188   2HD   LYS  22          1HD       LYS  22   4.752  11.011  -5.275
  189   1HE   LYS  22          2HE       LYS  22   6.558  11.923  -6.718
  190   2HE   LYS  22          1HE       LYS  22   7.351  10.349  -6.653
  191   1HZ   LYS  22          1HZ       LYS  22   6.008  10.628  -8.659
  192   2HZ   LYS  22          2HZ       LYS  22   4.620  10.839  -7.715
  193   3HZ   LYS  22          3HZ       LYS  22   5.434   9.357  -7.702
  194    H    ASN  23           H        ASN  23   5.454  15.258  -1.958
  195    HA   ASN  23           HA       ASN  23   6.810  17.197  -3.631
  196   1HB   ASN  23          2HB       ASN  23   4.363  17.256  -3.426
  197   2HB   ASN  23          1HB       ASN  23   4.511  17.541  -1.694
  198   1HD2  ASN  23          1HD2      ASN  23   6.003  18.884  -4.627
  199   2HD2  ASN  23          2HD2      ASN  23   5.707  20.537  -4.221
  200    H    SER  24           H        SER  24   6.528  16.411  -0.212
  201    HA   SER  24           HA       SER  24   8.395  18.599   0.413
  202   1HB   SER  24          2HB       SER  24   6.014  17.933   1.634
  203   2HB   SER  24          1HB       SER  24   7.213  17.187   2.692
  204    HG   SER  24           HG       SER  24   7.080  19.216   3.437
  205    H    VAL  25           H        VAL  25   9.578  17.862   2.656
  206    HA   VAL  25           HA       VAL  25  10.912  15.310   2.022
  207    HB   VAL  25           HB       VAL  25  12.439  17.108   1.547
  208   1HG1  VAL  25          1HG1      VAL  25  12.922  18.902   2.938
  209   2HG1  VAL  25          2HG1      VAL  25  12.295  18.088   4.372
  210   3HG1  VAL  25          3HG1      VAL  25  11.183  18.698   3.147
  211   1HG2  VAL  25          1HG2      VAL  25  13.332  15.086   2.651
  212   2HG2  VAL  25          2HG2      VAL  25  13.167  15.893   4.211
  213   3HG2  VAL  25          3HG2      VAL  25  14.281  16.530   3.002
  214    H    GLY  26           H        GLY  26  11.055  13.837   3.606
  215   1HA   GLY  26          2HA       GLY  26  11.169  14.448   6.371
  216   2HA   GLY  26          1HA       GLY  26   9.529  14.000   5.926
  217    H    ARG  27           H        ARG  27   9.985  12.253   7.508
  218    HA   ARG  27           HA       ARG  27  11.729  10.132   6.534
  219   1HB   ARG  27          2HB       ARG  27  10.378  10.758   9.104
  220   2HB   ARG  27          1HB       ARG  27  10.639   9.058   8.736
  221   1HG   ARG  27          2HG       ARG  27  13.011  10.639   8.239
  222   2HG   ARG  27          1HG       ARG  27  12.443  10.796   9.902
  223   1HD   ARG  27          2HD       ARG  27  14.052   8.942   9.596
  224   2HD   ARG  27          1HD       ARG  27  12.483   8.408  10.195
  225    HE   ARG  27           HE       ARG  27  12.076   7.361   8.152
  226   1HH1  ARG  27          1HH1      ARG  27  15.112   9.073   8.125
  227   2HH1  ARG  27          2HH1      ARG  27  15.687   8.290   6.691
  228   1HH2  ARG  27          1HH2      ARG  27  12.829   6.325   6.265
  229   2HH2  ARG  27          2HH2      ARG  27  14.391   6.730   5.635
  230    H    TRP  28           H        TRP  28  11.010   8.021   6.097
  231    HA   TRP  28           HA       TRP  28   8.484   7.889   4.765
  232   1HB   TRP  28          2HB       TRP  28  10.653   5.869   5.315
  233   2HB   TRP  28          1HB       TRP  28   9.152   5.425   4.512
  234    HD1  TRP  28           HD       TRP  28  12.243   7.673   3.987
  235    HE1  TRP  28           1HE      TRP  28  12.535   8.055   1.458
  236    HE3  TRP  28           3HE      TRP  28   7.991   5.376   2.321
  237    HZ2  TRP  28           2HZ      TRP  28  11.147   7.462  -0.926
  238    HZ3  TRP  28           3HZ      TRP  28   7.546   5.327  -0.098
  239    HH2  TRP  28           HH       TRP  28   9.093   6.350  -1.686
  240    H    LYS  29           H        LYS  29   7.187   5.717   5.166
  241    HA   LYS  29           HA       LYS  29   6.813   5.280   8.043
  242   1HB   LYS  29          2HB       LYS  29   4.929   6.562   6.206
  243   2HB   LYS  29          1HB       LYS  29   4.234   5.188   7.058
  244   1HG   LYS  29          2HG       LYS  29   3.956   6.430   8.865
  245   2HG   LYS  29          1HG       LYS  29   5.689   6.762   8.928
  246   1HD   LYS  29          2HD       LYS  29   3.891   8.276   7.067
  247   2HD   LYS  29          1HD       LYS  29   4.051   8.749   8.759
  248   1HE   LYS  29          2HE       LYS  29   6.661   8.394   7.934
  249   2HE   LYS  29          1HE       LYS  29   5.884   9.124   6.530
  250   1HZ   LYS  29          1HZ       LYS  29   6.758  10.402   8.826
  251   2HZ   LYS  29          2HZ       LYS  29   5.069  10.453   8.887
  252   3HZ   LYS  29          3HZ       LYS  29   5.885  11.078   7.544
  253    H    GLU  30           H        GLU  30   5.741   3.260   8.535
  254    HA   GLU  30           HA       GLU  30   5.613   1.393   6.271
  255   1HB   GLU  30          2HB       GLU  30   6.537  -0.209   8.285
  256   2HB   GLU  30          1HB       GLU  30   7.525   0.477   7.002
  257   1HG   GLU  30          2HG       GLU  30   8.753   1.132   8.783
  258   2HG   GLU  30          1HG       GLU  30   7.654   2.508   8.694
  259    H    ALA  31           H        ALA  31   3.948   0.051   6.258
  260    HA   ALA  31           HA       ALA  31   2.417  -0.427   8.713
  261   1HB   ALA  31          1HB       ALA  31   0.313  -0.174   7.271
  262   2HB   ALA  31          2HB       ALA  31   1.346   0.688   6.133
  263   3HB   ALA  31          3HB       ALA  31   1.134   1.306   7.771
  264    H    THR  32           H        THR  32   2.546  -2.589   8.946
  265    HA   THR  32           HA       THR  32   2.798  -4.264   6.590
  266    HB   THR  32           HB       THR  32   2.961  -4.968   9.519
  267    HG1  THR  32           1HG      THR  32   4.731  -3.771   8.483
  268   1HG2  THR  32          1HG2      THR  32   2.071  -6.861   8.216
  269   2HG2  THR  32          2HG2      THR  32   3.713  -7.181   8.784
  270   3HG2  THR  32          3HG2      THR  32   3.437  -6.730   7.101
  271    H    ILE  33           H        ILE  33   1.401  -5.687   5.834
  272    HA   ILE  33           HA       ILE  33  -1.012  -6.322   7.354
  273    HB   ILE  33           HB       ILE  33  -1.771  -6.076   4.612
  274   1HG1  ILE  33          2HG1      ILE  33  -0.802  -3.456   5.763
  275   2HG1  ILE  33          1HG1      ILE  33   0.132  -4.395   4.603
  276   1HG2  ILE  33          1HG2      ILE  33  -3.381  -4.402   5.631
  277   2HG2  ILE  33          2HG2      ILE  33  -2.583  -4.729   7.170
  278   3HG2  ILE  33          3HG2      ILE  33  -3.399  -6.031   6.305
  279   1HD1  ILE  33          1HD1      ILE  33  -2.666  -3.465   4.050
  280   2HD1  ILE  33          2HD1      ILE  33  -1.464  -4.066   2.907
  281   3HD1  ILE  33          3HD1      ILE  33  -1.240  -2.495   3.679
  282    HA   PRO  34           HA       PRO  34   0.652 -10.124   5.528
  283   1HB   PRO  34          2HB       PRO  34  -0.659 -11.583   7.626
  284   2HB   PRO  34          1HB       PRO  34   1.066 -11.281   7.413
  285   1HG   PRO  34          2HG       PRO  34  -0.473 -10.219   9.442
  286   2HG   PRO  34          1HG       PRO  34   1.057  -9.535   8.872
  287   1HD   PRO  34          2HD       PRO  34  -1.739  -8.691   8.265
  288   2HD   PRO  34          1HD       PRO  34  -0.286  -7.701   8.488
  289    H    GLY  35           H        GLY  35  -0.297 -11.160   3.910
  290   1HA   GLY  35          2HA       GLY  35  -1.893 -12.614   2.966
  291   2HA   GLY  35          1HA       GLY  35  -3.039 -12.128   4.205
  292    H    HIS  36           H        HIS  36  -3.838 -12.320   1.603
  293    HA   HIS  36           HA       HIS  36  -3.729  -9.731   0.332
  294   1HB   HIS  36          2HB       HIS  36  -5.426 -10.840  -1.244
  295   2HB   HIS  36          1HB       HIS  36  -3.802 -11.517  -1.200
  296    HD2  HIS  36           2HD      HIS  36  -7.394 -12.617  -0.859
  297    HE1  HIS  36           1HE      HIS  36  -4.999 -15.726   0.725
  298    HE2  HIS  36           2HE      HIS  36  -7.358 -15.017   0.126
  299    H    LEU  37           H        LEU  37  -4.606  -8.798   2.425
  300    HA   LEU  37           HA       LEU  37  -7.417  -9.117   2.929
  301   1HB   LEU  37          2HB       LEU  37  -5.865  -6.804   3.993
  302   2HB   LEU  37          1HB       LEU  37  -7.111  -7.763   4.769
  303    HG   LEU  37           HG       LEU  37  -4.258  -8.630   4.284
  304   1HD1  LEU  37          1HD1      LEU  37  -5.530  -7.165   6.411
  305   2HD1  LEU  37          2HD1      LEU  37  -3.825  -7.546   6.169
  306   3HD1  LEU  37          3HD1      LEU  37  -4.877  -8.694   6.999
  307   1HD2  LEU  37          1HD2      LEU  37  -6.160 -10.386   4.228
  308   2HD2  LEU  37          2HD2      LEU  37  -6.251 -10.098   5.966
  309   3HD2  LEU  37          3HD2      LEU  37  -4.750 -10.680   5.246
  310    H    ASN  38           H        ASN  38  -5.758  -7.603   0.564
  311    HA   ASN  38           HA       ASN  38  -6.819  -6.472  -1.214
  312   1HB   ASN  38          2HB       ASN  38  -8.774  -5.328  -1.041
  313   2HB   ASN  38          1HB       ASN  38  -8.926  -6.258   0.446
  314   1HD2  ASN  38          1HD2      ASN  38  -9.566  -3.389  -0.670
  315   2HD2  ASN  38          2HD2      ASN  38  -9.199  -2.385   0.686
  316    H    SER  39           H        SER  39  -6.813  -3.989  -1.760
  317    HA   SER  39           HA       SER  39  -4.205  -3.068  -1.000
  318   1HB   SER  39          2HB       SER  39  -6.287  -1.654  -2.679
  319   2HB   SER  39          1HB       SER  39  -4.561  -1.294  -2.616
  320    HG   SER  39           HG       SER  39  -5.053  -2.575  -4.422
  321    H    TYR  40           H        TYR  40  -3.859  -2.078   0.863
  322    HA   TYR  40           HA       TYR  40  -5.960  -0.413   2.038
  323   1HB   TYR  40          2HB       TYR  40  -4.882  -2.169   3.438
  324   2HB   TYR  40          1HB       TYR  40  -3.345  -1.331   3.260
  325    HD1  TYR  40           1HD      TYR  40  -3.084   0.961   4.249
  326    HD2  TYR  40           2HD      TYR  40  -6.483  -1.474   5.039
  327    HE1  TYR  40           1HE      TYR  40  -3.615   2.350   6.208
  328    HE2  TYR  40           2HE      TYR  40  -7.024  -0.092   7.000
  329    HH   TYR  40           HH       TYR  40  -6.599   2.138   7.858
  330    H    THR  41           H        THR  41  -5.912   1.694   1.660
  331    HA   THR  41           HA       THR  41  -3.295   3.013   1.367
  332    HB   THR  41           HB       THR  41  -4.301   2.879  -0.840
  333    HG1  THR  41           1HG      THR  41  -3.673   4.868  -1.188
  334   1HG2  THR  41          1HG2      THR  41  -6.723   3.542   0.623
  335   2HG2  THR  41          2HG2      THR  41  -6.533   2.818  -0.972
  336   3HG2  THR  41          3HG2      THR  41  -6.494   4.571  -0.792
  337    H    ILE  42           H        ILE  42  -3.050   4.993   2.321
  338    HA   ILE  42           HA       ILE  42  -5.091   5.719   4.275
  339    HB   ILE  42           HB       ILE  42  -2.201   6.497   3.932
  340   1HG1  ILE  42          2HG1      ILE  42  -2.913   5.695   6.568
  341   2HG1  ILE  42          1HG1      ILE  42  -3.625   4.538   5.448
  342   1HG2  ILE  42          1HG2      ILE  42  -4.288   7.786   5.663
  343   2HG2  ILE  42          2HG2      ILE  42  -3.123   8.549   4.579
  344   3HG2  ILE  42          3HG2      ILE  42  -2.576   7.818   6.088
  345   1HD1  ILE  42          1HD1      ILE  42  -0.723   5.332   5.505
  346   2HD1  ILE  42          2HD1      ILE  42  -1.459   4.104   4.473
  347   3HD1  ILE  42          3HD1      ILE  42  -1.398   3.870   6.221
  348    H    LYS  43           H        LYS  43  -6.558   7.207   3.762
  349    HA   LYS  43           HA       LYS  43  -5.778   9.377   1.925
  350   1HB   LYS  43          2HB       LYS  43  -8.588   8.340   2.271
  351   2HB   LYS  43          1HB       LYS  43  -7.984   9.422   1.025
  352   1HG   LYS  43          2HG       LYS  43  -6.590   7.567   0.157
  353   2HG   LYS  43          1HG       LYS  43  -7.345   6.499   1.341
  354   1HD   LYS  43          2HD       LYS  43  -8.962   8.096  -0.626
  355   2HD   LYS  43          1HD       LYS  43  -8.314   6.504  -1.023
  356   1HE   LYS  43          2HE       LYS  43 -10.043   7.050   1.382
  357   2HE   LYS  43          1HE       LYS  43 -10.681   6.524  -0.175
  358   1HZ   LYS  43          1HZ       LYS  43  -8.582   4.815   0.535
  359   2HZ   LYS  43          2HZ       LYS  43 -10.226   4.447   0.385
  360   3HZ   LYS  43          3HZ       LYS  43  -9.608   4.952   1.875
  361    H    GLY  44           H        GLY  44  -5.326   9.603   4.654
  362   1HA   GLY  44          2HA       GLY  44  -7.535  11.262   5.657
  363   2HA   GLY  44          1HA       GLY  44  -6.218  10.615   6.625
  364    H    LEU  45           H        LEU  45  -5.115  11.854   3.694
  365    HA   LEU  45           HA       LEU  45  -3.867  14.080   5.047
  366   1HB   LEU  45          2HB       LEU  45  -3.659  13.132   2.180
  367   2HB   LEU  45          1HB       LEU  45  -2.689  14.409   2.894
  368    HG   LEU  45           HG       LEU  45  -1.192  12.736   3.144
  369   1HD1  LEU  45          1HD1      LEU  45  -1.214  11.719   5.314
  370   2HD1  LEU  45          2HD1      LEU  45  -2.954  11.967   5.462
  371   3HD1  LEU  45          3HD1      LEU  45  -1.864  13.353   5.449
  372   1HD2  LEU  45          1HD2      LEU  45  -3.242  11.198   2.180
  373   2HD2  LEU  45          2HD2      LEU  45  -2.882  10.444   3.733
  374   3HD2  LEU  45          3HD2      LEU  45  -1.607  10.639   2.530
  375    H    LYS  46           H        LYS  46  -3.797  16.255   3.918
  376    HA   LYS  46           HA       LYS  46  -6.544  17.036   3.316
  377   1HB   LYS  46          2HB       LYS  46  -5.712  19.351   3.650
  378   2HB   LYS  46          1HB       LYS  46  -5.444  18.312   5.043
  379   1HG   LYS  46          2HG       LYS  46  -3.319  18.931   5.017
  380   2HG   LYS  46          1HG       LYS  46  -3.135  18.082   3.484
  381   1HD   LYS  46          2HD       LYS  46  -2.361  20.341   3.230
  382   2HD   LYS  46          1HD       LYS  46  -3.854  20.144   2.313
  383   1HE   LYS  46          2HE       LYS  46  -4.252  21.032   5.075
  384   2HE   LYS  46          1HE       LYS  46  -3.332  22.165   4.084
  385   1HZ   LYS  46          1HZ       LYS  46  -5.420  21.387   2.494
  386   2HZ   LYS  46          2HZ       LYS  46  -5.284  22.856   3.322
  387   3HZ   LYS  46          3HZ       LYS  46  -6.119  21.564   4.026
  388    HA   PRO  47           HA       PRO  47  -6.286  17.263  -1.093
  389   1HB   PRO  47          2HB       PRO  47  -7.475  19.955  -0.526
  390   2HB   PRO  47          1HB       PRO  47  -7.932  18.763  -1.750
  391   1HG   PRO  47          2HG       PRO  47  -9.316  19.001   0.520
  392   2HG   PRO  47          1HG       PRO  47  -9.029  17.418  -0.223
  393   1HD   PRO  47          2HD       PRO  47  -7.871  18.581   2.232
  394   2HD   PRO  47          1HD       PRO  47  -8.051  16.880   1.765
  395    H    GLY  48           H        GLY  48  -4.488  17.672  -2.210
  396   1HA   GLY  48          2HA       GLY  48  -3.244  19.426  -3.373
  397   2HA   GLY  48          1HA       GLY  48  -3.216  20.313  -1.862
  398    H    VAL  49           H        VAL  49  -2.657  17.032  -1.266
  399    HA   VAL  49           HA       VAL  49   0.254  17.506  -1.386
  400    HB   VAL  49           HB       VAL  49  -0.883  15.655   0.660
  401   1HG1  VAL  49          1HG1      VAL  49   1.131  16.143   1.832
  402   2HG1  VAL  49          2HG1      VAL  49   1.503  17.487   0.752
  403   3HG1  VAL  49          3HG1      VAL  49   1.558  15.830   0.150
  404   1HG2  VAL  49          1HG2      VAL  49  -0.507  18.575   1.247
  405   2HG2  VAL  49          2HG2      VAL  49  -1.300  17.342   2.229
  406   3HG2  VAL  49          3HG2      VAL  49  -2.068  17.919   0.750
  407    H    VAL  50           H        VAL  50   1.540  15.957  -2.205
  408    HA   VAL  50           HA       VAL  50   0.245  13.438  -3.012
  409    HB   VAL  50           HB       VAL  50   1.517  15.293  -4.689
  410   1HG1  VAL  50          1HG1      VAL  50   3.400  14.046  -5.632
  411   2HG1  VAL  50          2HG1      VAL  50   3.233  12.837  -4.356
  412   3HG1  VAL  50          3HG1      VAL  50   3.698  14.490  -3.950
  413   1HG2  VAL  50          1HG2      VAL  50   0.977  13.766  -6.421
  414   2HG2  VAL  50          2HG2      VAL  50  -0.258  13.569  -5.179
  415   3HG2  VAL  50          3HG2      VAL  50   1.046  12.386  -5.322
  416    H    TYR  51           H        TYR  51   1.143  11.588  -2.359
  417    HA   TYR  51           HA       TYR  51   3.728  11.739  -0.954
  418   1HB   TYR  51          2HB       TYR  51   1.256  10.087  -0.358
  419   2HB   TYR  51          1HB       TYR  51   2.840   9.637   0.260
  420    HD1  TYR  51           1HD      TYR  51   0.520  12.567   0.158
  421    HD2  TYR  51           2HD      TYR  51   3.507  10.440   2.314
  422    HE1  TYR  51           1HE      TYR  51   0.208  14.080   2.072
  423    HE2  TYR  51           2HE      TYR  51   3.208  11.945   4.231
  424    HH   TYR  51           HH       TYR  51   1.903  13.549   5.126
  425    H    GLU  52           H        GLU  52   4.376   9.140  -0.756
  426    HA   GLU  52           HA       GLU  52   4.233   8.108  -3.521
  427   1HB   GLU  52          2HB       GLU  52   6.491   9.174  -2.755
  428   2HB   GLU  52          1HB       GLU  52   6.671   7.713  -1.792
  429   1HG   GLU  52          2HG       GLU  52   6.172   7.664  -4.753
  430   2HG   GLU  52          1HG       GLU  52   7.786   7.710  -4.048
  431    H    GLY  53           H        GLY  53   3.570   6.038  -3.636
  432   1HA   GLY  53          2HA       GLY  53   3.481   4.541  -1.095
  433   2HA   GLY  53          1HA       GLY  53   2.253   4.417  -2.343
  434    H    GLN  54           H        GLN  54   4.785   2.888  -0.981
  435    HA   GLN  54           HA       GLN  54   5.186   1.222  -3.364
  436   1HB   GLN  54          2HB       GLN  54   7.175   2.687  -3.002
  437   2HB   GLN  54          1HB       GLN  54   7.372   1.968  -1.410
  438   1HG   GLN  54          2HG       GLN  54   7.818  -0.180  -2.366
  439   2HG   GLN  54          1HG       GLN  54   7.427   0.410  -3.980
  440   1HE2  GLN  54          1HE2      GLN  54   9.890  -0.289  -1.905
  441   2HE2  GLN  54          2HE2      GLN  54  11.149   0.646  -2.631
  442    H    LEU  55           H        LEU  55   4.337  -0.693  -2.897
  443    HA   LEU  55           HA       LEU  55   4.394  -1.625  -0.119
  444   1HB   LEU  55          2HB       LEU  55   2.190  -1.512  -1.056
  445   2HB   LEU  55          1HB       LEU  55   2.690  -2.409  -2.474
  446    HG   LEU  55           HG       LEU  55   3.165  -4.353  -0.877
  447   1HD1  LEU  55          1HD1      LEU  55   2.453  -4.313   1.279
  448   2HD1  LEU  55          2HD1      LEU  55   1.158  -3.163   0.948
  449   3HD1  LEU  55          3HD1      LEU  55   2.822  -2.598   1.095
  450   1HD2  LEU  55          1HD2      LEU  55   1.199  -4.055  -2.461
  451   2HD2  LEU  55          2HD2      LEU  55   0.275  -3.546  -1.047
  452   3HD2  LEU  55          3HD2      LEU  55   0.972  -5.166  -1.108
  453    H    ILE  56           H        ILE  56   6.143  -2.789   0.283
  454    HA   ILE  56           HA       ILE  56   7.109  -4.709  -1.714
  455    HB   ILE  56           HB       ILE  56   8.430  -3.847   0.860
  456   1HG1  ILE  56          2HG1      ILE  56  10.033  -2.817  -1.008
  457   2HG1  ILE  56          1HG1      ILE  56   8.528  -2.772  -1.921
  458   1HG2  ILE  56          1HG2      ILE  56   8.895  -6.123  -0.492
  459   2HG2  ILE  56          2HG2      ILE  56  10.138  -5.250   0.405
  460   3HG2  ILE  56          3HG2      ILE  56   9.993  -5.033  -1.339
  461   1HD1  ILE  56          1HD1      ILE  56   8.272  -1.719   0.780
  462   2HD1  ILE  56          2HD1      ILE  56   7.758  -1.038  -0.762
  463   3HD1  ILE  56          3HD1      ILE  56   9.424  -0.836  -0.221
  464    H    SER  57           H        SER  57   7.103  -6.875  -1.311
  465    HA   SER  57           HA       SER  57   5.525  -7.721   0.984
  466   1HB   SER  57          2HB       SER  57   6.434  -9.470  -1.292
  467   2HB   SER  57          1HB       SER  57   5.105  -9.742  -0.167
  468    HG   SER  57           HG       SER  57   4.889  -7.389  -1.530
  469    H    ILE  58           H        ILE  58   6.137  -9.403   2.315
  470    HA   ILE  58           HA       ILE  58   9.053  -9.792   2.469
  471    HB   ILE  58           HB       ILE  58   7.047  -9.474   4.681
  472   1HG1  ILE  58          2HG1      ILE  58   9.658  -8.116   3.987
  473   2HG1  ILE  58          1HG1      ILE  58   8.047  -7.427   3.835
  474   1HG2  ILE  58          1HG2      ILE  58   8.625 -10.235   6.280
  475   2HG2  ILE  58          2HG2      ILE  58   9.899 -10.360   5.065
  476   3HG2  ILE  58          3HG2      ILE  58   8.536 -11.481   5.033
  477   1HD1  ILE  58          1HD1      ILE  58   7.986  -6.823   5.981
  478   2HD1  ILE  58          2HD1      ILE  58   9.733  -7.064   5.943
  479   3HD1  ILE  58          3HD1      ILE  58   8.678  -8.349   6.531
  480    H    GLN  59           H        GLN  59   9.857 -11.763   2.517
  481    HA   GLN  59           HA       GLN  59   8.026 -14.019   2.855
  482   1HB   GLN  59          2HB       GLN  59  10.166 -15.066   1.535
  483   2HB   GLN  59          1HB       GLN  59   8.645 -14.583   0.803
  484   1HG   GLN  59          2HG       GLN  59   9.507 -12.452   0.270
  485   2HG   GLN  59          1HG       GLN  59  11.022 -12.795   1.100
  486   1HE2  GLN  59          1HE2      GLN  59   9.152 -14.913  -0.998
  487   2HE2  GLN  59          2HE2      GLN  59  10.373 -15.117  -2.195
  488    H    GLN  60           H        GLN  60   9.614 -16.082   3.175
  489    HA   GLN  60           HA       GLN  60  10.845 -15.653   5.734
  490   1HB   GLN  60          2HB       GLN  60  11.529 -18.128   5.348
  491   2HB   GLN  60          1HB       GLN  60   9.826 -17.753   5.571
  492   1HG   GLN  60          2HG       GLN  60  10.304 -17.556   2.813
  493   2HG   GLN  60          1HG       GLN  60  11.138 -19.013   3.359
  494   1HE2  GLN  60          1HE2      GLN  60   8.556 -18.340   1.828
  495   2HE2  GLN  60          2HE2      GLN  60   7.384 -19.382   2.555
  496    H    TYR  61           H        TYR  61  11.771 -15.615   2.455
  497    HA   TYR  61           HA       TYR  61  14.624 -15.786   3.115
  498   1HB   TYR  61          2HB       TYR  61  14.125 -15.569   0.284
  499   2HB   TYR  61          1HB       TYR  61  14.906 -16.867   1.177
  500    HD1  TYR  61           1HD      TYR  61  13.921 -18.971   1.180
  501    HD2  TYR  61           2HD      TYR  61  11.497 -15.576   0.359
  502    HE1  TYR  61           1HE      TYR  61  12.025 -20.453   0.672
  503    HE2  TYR  61           2HE      TYR  61   9.585 -17.041  -0.146
  504    HH   TYR  61           HH       TYR  61   8.810 -19.169   0.001
  505    H    GLY  62           H        GLY  62  12.246 -13.495   2.688
  506   1HA   GLY  62          2HA       GLY  62  12.455 -11.182   2.686
  507   2HA   GLY  62          1HA       GLY  62  14.190 -11.373   2.489
  508    H    HIS  63           H        HIS  63  12.002  -9.701   1.139
  509    HA   HIS  63           HA       HIS  63  11.735  -8.726  -0.903
  510   1HB   HIS  63          2HB       HIS  63  14.214  -9.006  -1.088
  511   2HB   HIS  63          1HB       HIS  63  13.939 -10.556  -1.875
  512    HD2  HIS  63           2HD      HIS  63  13.080 -10.442  -4.509
  513    HE1  HIS  63           1HE      HIS  63  13.493  -6.243  -4.838
  514    HE2  HIS  63           2HE      HIS  63  13.278  -8.420  -6.120
  515    H    GLN  64           H        GLN  64   9.652  -9.747  -0.923
  516    HA   GLN  64           HA       GLN  64   9.435 -12.171  -2.555
  517   1HB   GLN  64          2HB       GLN  64   8.318 -11.845  -0.243
  518   2HB   GLN  64          1HB       GLN  64   7.151 -10.864  -1.116
  519   1HG   GLN  64          2HG       GLN  64   6.109 -12.645  -1.940
  520   2HG   GLN  64          1HG       GLN  64   7.622 -13.436  -2.383
  521   1HE2  GLN  64          1HE2      GLN  64   7.774 -15.353  -1.474
  522   2HE2  GLN  64          2HE2      GLN  64   7.317 -15.759   0.143
  523    H    GLU  65           H        GLU  65   7.387  -9.271  -2.198
  524    HA   GLU  65           HA       GLU  65   7.222  -9.078  -5.126
  525   1HB   GLU  65          2HB       GLU  65   5.309 -10.323  -3.678
  526   2HB   GLU  65          1HB       GLU  65   4.715  -8.673  -3.615
  527   1HG   GLU  65          2HG       GLU  65   3.659  -9.602  -5.475
  528   2HG   GLU  65          1HG       GLU  65   4.980  -8.651  -6.152
  529    H    VAL  66           H        VAL  66   7.425  -7.017  -5.830
  530    HA   VAL  66           HA       VAL  66   6.852  -4.871  -3.892
  531    HB   VAL  66           HB       VAL  66   8.761  -4.577  -6.198
  532   1HG1  VAL  66          1HG1      VAL  66   8.623  -2.449  -5.548
  533   2HG1  VAL  66          2HG1      VAL  66   9.482  -2.933  -4.085
  534   3HG1  VAL  66          3HG1      VAL  66   7.719  -2.880  -4.095
  535   1HG2  VAL  66          1HG2      VAL  66  10.535  -5.341  -4.980
  536   2HG2  VAL  66          2HG2      VAL  66   9.276  -6.394  -4.335
  537   3HG2  VAL  66          3HG2      VAL  66   9.779  -4.964  -3.432
  538    H    THR  67           H        THR  67   5.604  -3.191  -4.475
  539    HA   THR  67           HA       THR  67   4.723  -2.954  -7.261
  540    HB   THR  67           HB       THR  67   2.505  -2.375  -5.530
  541    HG1  THR  67           1HG      THR  67   2.352  -4.884  -5.168
  542   1HG2  THR  67          1HG2      THR  67   2.296  -2.850  -7.899
  543   2HG2  THR  67          2HG2      THR  67   1.385  -4.043  -6.974
  544   3HG2  THR  67          3HG2      THR  67   2.954  -4.468  -7.661
  545    H    ARG  68           H        ARG  68   4.564  -0.867  -7.943
  546    HA   ARG  68           HA       ARG  68   4.930   1.216  -5.894
  547   1HB   ARG  68          2HB       ARG  68   5.644   1.402  -8.820
  548   2HB   ARG  68          1HB       ARG  68   6.063   2.545  -7.550
  549   1HG   ARG  68          2HG       ARG  68   7.275   0.512  -6.481
  550   2HG   ARG  68          1HG       ARG  68   7.197  -0.156  -8.112
  551   1HD   ARG  68          2HD       ARG  68   8.478   2.435  -7.263
  552   2HD   ARG  68          1HD       ARG  68   9.296   0.982  -7.837
  553    HE   ARG  68           HE       ARG  68   7.723   2.846  -9.468
  554   1HH1  ARG  68          1HH1      ARG  68   9.860   0.105  -9.219
  555   2HH1  ARG  68          2HH1      ARG  68  10.230   0.078 -10.910
  556   1HH2  ARG  68          1HH2      ARG  68   8.204   2.817 -11.695
  557   2HH2  ARG  68          2HH2      ARG  68   9.290   1.620 -12.318
  558    H    PHE  69           H        PHE  69   3.716   3.067  -5.925
  559    HA   PHE  69           HA       PHE  69   1.809   3.590  -8.007
  560   1HB   PHE  69          2HB       PHE  69  -0.005   3.714  -6.031
  561   2HB   PHE  69          1HB       PHE  69   0.195   2.308  -7.067
  562    HD1  PHE  69           1HD      PHE  69   0.796   3.704  -3.736
  563    HD2  PHE  69           2HD      PHE  69   1.135   0.266  -6.220
  564    HE1  PHE  69           1HE      PHE  69   1.204   2.313  -1.750
  565    HE2  PHE  69           2HE      PHE  69   1.549  -1.131  -4.238
  566    HZ   PHE  69           HZ       PHE  69   1.581  -0.107  -1.998
  567    H    ASP  70           H        ASP  70   0.590   5.574  -7.665
  568    HA   ASP  70           HA       ASP  70   2.276   7.517  -6.301
  569   1HB   ASP  70          2HB       ASP  70   0.852   9.201  -7.494
  570   2HB   ASP  70          1HB       ASP  70   1.694   8.093  -8.577
  571    H    PHE  71           H        PHE  71   1.493   8.943  -4.795
  572    HA   PHE  71           HA       PHE  71  -0.944   8.080  -3.413
  573   1HB   PHE  71          2HB       PHE  71   1.645   7.931  -2.670
  574   2HB   PHE  71          1HB       PHE  71   1.196   9.490  -1.977
  575    HD1  PHE  71           1HD      PHE  71  -0.756   9.567  -0.398
  576    HD2  PHE  71           2HD      PHE  71   1.084   5.979  -1.696
  577    HE1  PHE  71           1HE      PHE  71  -1.682   8.406   1.565
  578    HE2  PHE  71           2HE      PHE  71   0.166   4.786   0.260
  579    HZ   PHE  71           HZ       PHE  71  -1.210   6.021   1.893
  580    H    THR  72           H        THR  72  -2.338   9.600  -2.637
  581    HA   THR  72           HA       THR  72  -1.681  12.415  -2.713
  582    HB   THR  72           HB       THR  72  -4.238  12.347  -3.872
  583    HG1  THR  72           1HG      THR  72  -2.404  10.810  -5.420
  584   1HG2  THR  72          1HG2      THR  72  -1.929  13.768  -4.128
  585   2HG2  THR  72          2HG2      THR  72  -3.336  13.939  -5.179
  586   3HG2  THR  72          3HG2      THR  72  -1.988  12.912  -5.670
  587    H    THR  73           H        THR  73  -3.553  13.721  -1.861
  588    HA   THR  73           HA       THR  73  -4.499  12.480   0.560
  589    HB   THR  73           HB       THR  73  -5.110  14.632   1.258
  590    HG1  THR  73           1HG      THR  73  -4.866  15.982  -1.125
  591   1HG2  THR  73          1HG2      THR  73  -2.664  14.332   0.833
  592   2HG2  THR  73          2HG2      THR  73  -3.201  16.010   0.783
  593   3HG2  THR  73          3HG2      THR  73  -2.889  15.138  -0.718
  594    H    THR  74           H        THR  74  -6.938  14.226   0.563
  595    HA   THR  74           HA       THR  74  -8.813  12.298  -0.301
  596    HB   THR  74           HB       THR  74 -10.480  13.690   0.510
  597    HG1  THR  74           1HG      THR  74 -10.556  15.800   0.126
  598   1HG2  THR  74          1HG2      THR  74  -9.787  14.305   2.603
  599   2HG2  THR  74          2HG2      THR  74  -8.326  15.097   2.009
  600   3HG2  THR  74          3HG2      THR  74  -8.397  13.336   2.113
  601    H    SER  75           H        SER  75  -7.033  14.554  -2.017
  602    HA   SER  75           HA       SER  75  -8.831  15.464  -3.964
  603   1HB   SER  75          2HB       SER  75  -6.972  16.618  -4.454
  604   2HB   SER  75          1HB       SER  75  -5.978  15.495  -3.527
  605    HG   SER  75           HG       SER  75  -5.996  15.790  -6.114
  606    H    THR  76           H        THR  76  -8.809  14.842  -6.284
  607    HA   THR  76           HA       THR  76  -9.072  11.940  -6.510
  608    HB   THR  76           HB       THR  76  -9.788  13.569  -8.852
  609    HG1  THR  76           1HG      THR  76 -10.359  14.881  -6.911
  610   1HG2  THR  76          1HG2      THR  76 -10.307  11.129  -8.447
  611   2HG2  THR  76          2HG2      THR  76 -11.681  12.132  -8.913
  612   3HG2  THR  76          3HG2      THR  76 -11.465  11.662  -7.227
  613    H    SER  77           H        SER  77  -7.075  11.104  -6.882
  614    HA   SER  77           HA       SER  77  -5.971  11.383  -9.490
  615   1HB   SER  77          2HB       SER  77  -4.787  12.941  -7.275
  616   2HB   SER  77          1HB       SER  77  -3.639  12.013  -8.240
  617    HG   SER  77           HG       SER  77  -5.492  13.350  -9.745
  618    H    THR  78           H        THR  78  -6.945   9.291  -7.788
  619    HA   THR  78           HA       THR  78  -4.494   7.685  -7.460
  620    HB   THR  78           HB       THR  78  -6.222   6.287  -5.967
  621    HG1  THR  78           1HG      THR  78  -7.210   8.926  -6.071
  622   1HG2  THR  78          1HG2      THR  78  -4.049   7.110  -5.218
  623   2HG2  THR  78          2HG2      THR  78  -5.284   7.414  -3.996
  624   3HG2  THR  78          3HG2      THR  78  -4.718   8.731  -5.024
  625    HA   PRO  79           HA       PRO  79  -6.887   5.655 -10.837
  626   1HB   PRO  79          2HB       PRO  79  -4.728   4.840 -12.249
  627   2HB   PRO  79          1HB       PRO  79  -5.395   6.471 -12.389
  628   1HG   PRO  79          2HG       PRO  79  -3.036   5.517 -10.814
  629   2HG   PRO  79          1HG       PRO  79  -3.203   6.978 -11.804
  630   1HD   PRO  79          2HD       PRO  79  -3.426   6.992  -9.095
  631   2HD   PRO  79          1HD       PRO  79  -4.297   8.131 -10.142
  632    H    GLY  80           H        GLY  80  -5.709   3.379 -11.959
  633   1HA   GLY  80          2HA       GLY  80  -6.051   1.509  -9.767
  634   2HA   GLY  80          1HA       GLY  80  -5.922   1.107 -11.473
  635    H    SER  81           H        SER  81  -3.665   1.604 -12.413
  636    HA   SER  81           HA       SER  81  -1.484   1.321 -10.537
  637   1HB   SER  81          2HB       SER  81  -2.637  -0.989 -11.851
  638   2HB   SER  81          1HB       SER  81  -0.954  -0.770 -12.328
  639    HG   SER  81           HG       SER  81  -2.043  -1.299  -9.806
  640    H    ARG  82           H        ARG  82  -1.357   0.097 -13.815
  641    HA   ARG  82           HA       ARG  82  -0.303   2.607 -14.839
  642   1HB   ARG  82          2HB       ARG  82   1.314   0.072 -14.616
  643   2HB   ARG  82          1HB       ARG  82   1.707   1.335 -15.774
  644   1HG   ARG  82          2HG       ARG  82   1.665   2.881 -13.674
  645   2HG   ARG  82          1HG       ARG  82   1.897   1.365 -12.800
  646   1HD   ARG  82          2HD       ARG  82   4.058   1.370 -13.305
  647   2HD   ARG  82          1HD       ARG  82   3.678   1.431 -15.027
  648    HE   ARG  82           HE       ARG  82   4.203   3.656 -15.022
  649   1HH1  ARG  82          1HH1      ARG  82   3.699   2.611 -11.735
  650   2HH1  ARG  82          2HH1      ARG  82   4.230   4.107 -11.043
  651   1HH2  ARG  82          1HH2      ARG  82   4.907   5.627 -14.118
  652   2HH2  ARG  82          2HH2      ARG  82   4.917   5.821 -12.396
  653    H    SER  83           H        SER  83  -1.872  -0.364 -15.223
  654    HA   SER  83           HA       SER  83  -2.478   0.259 -17.993
  655   1HB   SER  83          2HB       SER  83  -1.248  -2.386 -17.184
  656   2HB   SER  83          1HB       SER  83  -1.964  -2.047 -18.760
  657    HG   SER  83           HG       SER  83   0.332  -1.769 -18.710
  658    H    HIS  84           H        HIS  84  -3.434  -0.643 -14.999
  659    HA   HIS  84           HA       HIS  84  -5.752  -2.178 -15.958
  660   1HB   HIS  84          2HB       HIS  84  -4.070  -2.436 -13.656
  661   2HB   HIS  84          1HB       HIS  84  -5.709  -2.084 -13.120
  662    HD2  HIS  84           2HD      HIS  84  -7.406  -4.178 -13.151
  663    HE1  HIS  84           1HE      HIS  84  -4.934  -6.800 -15.371
  664    HE2  HIS  84           2HE      HIS  84  -7.172  -6.536 -14.208
  665    H    HIS  85           H        HIS  85  -6.184   0.225 -16.718
  666    HA   HIS  85           HA       HIS  85  -7.246   1.978 -14.716
  667   1HB   HIS  85          2HB       HIS  85  -8.211   3.107 -16.898
  668   2HB   HIS  85          1HB       HIS  85  -6.497   3.207 -16.512
  669    HD2  HIS  85           2HD      HIS  85  -8.488   0.409 -18.485
  670    HE1  HIS  85           1HE      HIS  85  -5.153   1.721 -20.734
  671    HE2  HIS  85           2HE      HIS  85  -7.210   0.238 -20.734
  672    H    HIS  86           H        HIS  86  -9.397   2.048 -17.273
  673    HA   HIS  86           HA       HIS  86 -11.618   1.610 -17.453
  674   1HB   HIS  86          2HB       HIS  86 -10.327  -0.840 -17.042
  675   2HB   HIS  86          1HB       HIS  86 -11.720  -0.875 -15.966
  676    HD2  HIS  86           2HD      HIS  86 -14.072  -1.445 -17.149
  677    HE1  HIS  86           1HE      HIS  86 -12.735  -1.055 -21.145
  678    HE2  HIS  86           2HE      HIS  86 -14.726  -1.555 -19.657
  679    H    HIS  87           H        HIS  87 -13.441   0.323 -15.817
  680    HA   HIS  87           HA       HIS  87 -14.843   0.757 -14.079
  681   1HB   HIS  87          2HB       HIS  87 -12.288   0.183 -12.997
  682   2HB   HIS  87          1HB       HIS  87 -12.965   1.498 -12.042
  683    HD2  HIS  87           2HD      HIS  87 -13.104  -2.251 -12.245
  684    HE1  HIS  87           1HE      HIS  87 -16.548  -1.031 -10.109
  685    HE2  HIS  87           2HE      HIS  87 -15.185  -3.017 -10.899
  686    H    HIS  88           H        HIS  88 -15.441   2.719 -15.299
  687    HA   HIS  88           HA       HIS  88 -15.146   5.059 -13.597
  688   1HB   HIS  88          2HB       HIS  88 -13.543   4.837 -15.840
  689   2HB   HIS  88          1HB       HIS  88 -14.900   5.802 -16.413
  690    HD2  HIS  88           2HD      HIS  88 -15.427   7.989 -14.358
  691    HE1  HIS  88           1HE      HIS  88 -11.239   8.420 -13.923
  692    HE2  HIS  88           2HE      HIS  88 -13.498   9.482 -13.473
  693    H    HIS  89           H        HIS  89 -16.885   3.134 -15.787
  694    HA   HIS  89           HA       HIS  89 -19.251   4.783 -15.394
  695   1HB   HIS  89          2HB       HIS  89 -19.862   4.722 -17.775
  696   2HB   HIS  89          1HB       HIS  89 -18.357   5.598 -17.519
  697    HD2  HIS  89           2HD      HIS  89 -19.741   2.777 -19.617
  698    HE1  HIS  89           1HE      HIS  89 -15.522   2.544 -19.860
  699    HE2  HIS  89           2HE      HIS  89 -17.711   1.589 -20.712
  Start of MODEL   35
    1   1H    MET   1          1HT       MET   1   1.314 -11.618  19.865
    2   2H    MET   1          2HT       MET   1   2.515 -12.121  20.944
    3   3H    MET   1          3HT       MET   1   2.623 -12.534  19.308
    4    HA   MET   1           HA       MET   1   2.836 -10.184  18.726
    5   1HB   MET   1          2HB       MET   1   2.150  -9.986  21.546
    6   2HB   MET   1          1HB       MET   1   3.586  -9.049  21.161
    7   1HG   MET   1          2HG       MET   1   2.016  -7.477  20.745
    8   2HG   MET   1          1HG       MET   1   2.069  -8.234  19.154
    9   1HE   MET   1          1HE       MET   1  -1.329  -9.529  18.541
   10   2HE   MET   1          2HE       MET   1   0.226 -10.359  18.562
   11   3HE   MET   1          3HE       MET   1   0.112  -8.714  17.936
   12    H    ARG   2           H        ARG   2   4.316 -12.746  19.453
   13    HA   ARG   2           HA       ARG   2   6.962 -11.643  19.148
   14   1HB   ARG   2          2HB       ARG   2   6.021 -12.562  21.739
   15   2HB   ARG   2          1HB       ARG   2   7.420 -13.478  21.196
   16   1HG   ARG   2          2HG       ARG   2   7.641 -10.569  20.869
   17   2HG   ARG   2          1HG       ARG   2   7.544 -11.135  22.538
   18   1HD   ARG   2          2HD       ARG   2   9.324 -12.890  21.599
   19   2HD   ARG   2          1HD       ARG   2   9.655 -11.549  20.503
   20    HE   ARG   2           HE       ARG   2   9.659 -10.373  22.937
   21   1HH1  ARG   2          1HH1      ARG   2  11.301 -13.151  21.625
   22   2HH1  ARG   2          2HH1      ARG   2  12.690 -12.972  22.644
   23   1HH2  ARG   2          1HH2      ARG   2  11.482 -10.133  24.286
   24   2HH2  ARG   2          2HH2      ARG   2  12.792 -11.258  24.156
   25    H    GLY   3           H        GLY   3   5.211 -13.275  17.568
   26   1HA   GLY   3          2HA       GLY   3   6.795 -15.025  16.320
   27   2HA   GLY   3          1HA       GLY   3   6.286 -15.975  17.708
   28    H    SER   4           H        SER   4   3.977 -16.329  17.999
   29    HA   SER   4           HA       SER   4   1.988 -17.122  17.231
   30   1HB   SER   4          2HB       SER   4   2.074 -14.939  15.152
   31   2HB   SER   4          1HB       SER   4   0.665 -15.633  15.951
   32    HG   SER   4           HG       SER   4   2.678 -14.220  17.352
   33    H    ASN   5           H        ASN   5   4.387 -18.237  16.095
   34    HA   ASN   5           HA       ASN   5   5.051 -19.683  14.474
   35   1HB   ASN   5          2HB       ASN   5   2.249 -20.035  14.759
   36   2HB   ASN   5          1HB       ASN   5   2.612 -20.123  13.040
   37   1HD2  ASN   5          1HD2      ASN   5   1.711 -22.354  13.839
   38   2HD2  ASN   5          2HD2      ASN   5   2.929 -23.534  14.171
   39    H    ALA   6           H        ALA   6   4.748 -20.120  11.949
   40    HA   ALA   6           HA       ALA   6   4.245 -17.695  10.445
   41   1HB   ALA   6          1HB       ALA   6   6.850 -18.232  11.378
   42   2HB   ALA   6          2HB       ALA   6   6.340 -16.991  10.234
   43   3HB   ALA   6          3HB       ALA   6   6.847 -18.575   9.648
   44    HA   PRO   7           HA       PRO   7   3.484 -21.770   8.256
   45   1HB   PRO   7          2HB       PRO   7   0.883 -21.305   7.645
   46   2HB   PRO   7          1HB       PRO   7   1.393 -22.040   9.170
   47   1HG   PRO   7          2HG       PRO   7   0.634 -19.203   8.594
   48   2HG   PRO   7          1HG       PRO   7   0.189 -20.221   9.976
   49   1HD   PRO   7          2HD       PRO   7   2.156 -18.360  10.102
   50   2HD   PRO   7          1HD       PRO   7   2.199 -19.863  11.045
   51    H    GLN   8           H        GLN   8   2.783 -22.068   5.987
   52    HA   GLN   8           HA       GLN   8   3.488 -19.705   4.404
   53   1HB   GLN   8          2HB       GLN   8   3.257 -22.511   3.345
   54   2HB   GLN   8          1HB       GLN   8   4.180 -21.166   2.689
   55   1HG   GLN   8          2HG       GLN   8   5.921 -21.483   4.107
   56   2HG   GLN   8          1HG       GLN   8   4.900 -22.113   5.398
   57   1HE2  GLN   8          1HE2      GLN   8   7.323 -22.949   3.488
   58   2HE2  GLN   8          2HE2      GLN   8   7.011 -24.634   3.272
   59    HA   PRO   9           HA       PRO   9  -0.934 -19.689   3.441
   60   1HB   PRO   9          2HB       PRO   9  -1.067 -17.138   2.617
   61   2HB   PRO   9          1HB       PRO   9  -0.949 -17.553   4.331
   62   1HG   PRO   9          2HG       PRO   9   1.196 -16.640   2.453
   63   2HG   PRO   9          1HG       PRO   9   0.888 -16.140   4.125
   64   1HD   PRO   9          2HD       PRO   9   2.785 -17.980   3.416
   65   2HD   PRO   9          1HD       PRO   9   1.979 -17.957   4.997
   66    H    SER  10           H        SER  10  -2.117 -18.726   1.413
   67    HA   SER  10           HA       SER  10  -0.871 -19.948  -0.891
   68   1HB   SER  10          2HB       SER  10  -3.524 -18.504  -0.819
   69   2HB   SER  10          1HB       SER  10  -2.996 -19.743  -1.957
   70    HG   SER  10           HG       SER  10  -2.783 -20.924   0.299
   71    H    HIS  11           H        HIS  11  -0.622 -16.985   0.483
   72    HA   HIS  11           HA       HIS  11   0.159 -15.767  -2.062
   73   1HB   HIS  11          2HB       HIS  11  -2.207 -15.057  -1.035
   74   2HB   HIS  11          1HB       HIS  11  -1.179 -13.986  -0.088
   75    HD2  HIS  11           2HD      HIS  11  -1.129 -14.794  -3.965
   76    HE1  HIS  11           1HE      HIS  11  -1.149 -10.613  -3.316
   77    HE2  HIS  11           2HE      HIS  11  -0.929 -12.448  -5.051
   78    H    ILE  12           H        ILE  12   0.690 -13.207  -0.816
   79    HA   ILE  12           HA       ILE  12   3.312 -13.720   0.155
   80    HB   ILE  12           HB       ILE  12   2.605 -11.686  -1.134
   81   1HG1  ILE  12          2HG1      ILE  12   4.175 -10.247   0.001
   82   2HG1  ILE  12          1HG1      ILE  12   4.016 -11.175   1.478
   83   1HG2  ILE  12          1HG2      ILE  12   1.823 -10.409   1.431
   84   2HG2  ILE  12          2HG2      ILE  12   0.621 -11.371   0.573
   85   3HG2  ILE  12          3HG2      ILE  12   1.377  -9.990  -0.223
   86   1HD1  ILE  12          1HD1      ILE  12   6.047 -11.517  -0.139
   87   2HD1  ILE  12          2HD1      ILE  12   4.909 -12.556  -0.997
   88   3HD1  ILE  12          3HD1      ILE  12   5.310 -12.887   0.687
   89    H    SER  13           H        SER  13   4.172 -13.458   2.201
   90    HA   SER  13           HA       SER  13   2.537 -14.139   4.389
   91   1HB   SER  13          2HB       SER  13   5.241 -14.127   3.929
   92   2HB   SER  13          1HB       SER  13   5.064 -12.783   5.055
   93    HG   SER  13           HG       SER  13   3.632 -15.021   5.746
   94    H    LYS  14           H        LYS  14   3.985 -11.078   3.338
   95    HA   LYS  14           HA       LYS  14   1.835  -9.557   4.418
   96   1HB   LYS  14          2HB       LYS  14   3.533  -8.213   5.926
   97   2HB   LYS  14          1HB       LYS  14   2.678  -9.618   6.548
   98   1HG   LYS  14          2HG       LYS  14   4.970 -10.687   5.434
   99   2HG   LYS  14          1HG       LYS  14   5.517  -9.183   6.178
  100   1HD   LYS  14          2HD       LYS  14   3.919 -10.137   8.133
  101   2HD   LYS  14          1HD       LYS  14   4.479 -11.650   7.420
  102   1HE   LYS  14          2HE       LYS  14   6.448  -9.492   8.044
  103   2HE   LYS  14          1HE       LYS  14   5.834 -10.511   9.346
  104   1HZ   LYS  14          1HZ       LYS  14   6.893 -12.335   8.547
  105   2HZ   LYS  14          2HZ       LYS  14   7.961 -11.161   7.962
  106   3HZ   LYS  14          3HZ       LYS  14   6.804 -11.839   6.931
  107    H    TYR  15           H        TYR  15   1.815  -7.450   3.686
  108    HA   TYR  15           HA       TYR  15   3.822  -6.791   1.649
  109   1HB   TYR  15          2HB       TYR  15   0.942  -6.287   1.990
  110   2HB   TYR  15          1HB       TYR  15   1.845  -4.878   1.463
  111    HD1  TYR  15           1HD      TYR  15   0.118  -7.759   0.411
  112    HD2  TYR  15           2HD      TYR  15   3.429  -5.277  -0.600
  113    HE1  TYR  15           1HE      TYR  15   0.002  -8.557  -1.908
  114    HE2  TYR  15           2HE      TYR  15   3.321  -6.073  -2.924
  115    HH   TYR  15           HH       TYR  15   2.478  -7.886  -4.214
  116    H    ILE  16           H        ILE  16   4.904  -4.803   1.685
  117    HA   ILE  16           HA       ILE  16   4.663  -3.301   4.204
  118    HB   ILE  16           HB       ILE  16   7.028  -4.341   2.838
  119   1HG1  ILE  16          2HG1      ILE  16   6.410  -4.778   5.193
  120   2HG1  ILE  16          1HG1      ILE  16   8.010  -4.056   5.055
  121   1HG2  ILE  16          1HG2      ILE  16   7.240  -2.050   2.031
  122   2HG2  ILE  16          2HG2      ILE  16   8.479  -2.411   3.233
  123   3HG2  ILE  16          3HG2      ILE  16   7.072  -1.443   3.679
  124   1HD1  ILE  16          1HD1      ILE  16   5.708  -2.237   5.488
  125   2HD1  ILE  16          2HD1      ILE  16   7.372  -2.120   6.062
  126   3HD1  ILE  16          3HD1      ILE  16   6.248  -3.233   6.840
  127    H    LEU  17           H        LEU  17   3.892  -1.329   3.995
  128    HA   LEU  17           HA       LEU  17   4.082  -0.050   1.356
  129   1HB   LEU  17          2HB       LEU  17   1.815  -0.583   2.432
  130   2HB   LEU  17          1HB       LEU  17   2.170   0.731   3.535
  131    HG   LEU  17           HG       LEU  17   2.598   1.695   0.895
  132   1HD1  LEU  17          1HD1      LEU  17   1.003  -0.350   0.501
  133   2HD1  LEU  17          2HD1      LEU  17   0.719   1.190  -0.313
  134   3HD1  LEU  17          3HD1      LEU  17  -0.220   0.760   1.118
  135   1HD2  LEU  17          1HD2      LEU  17   1.473   2.517   3.290
  136   2HD2  LEU  17          2HD2      LEU  17   0.130   2.541   2.148
  137   3HD2  LEU  17          3HD2      LEU  17   1.596   3.460   1.805
  138    H    ARG  18           H        ARG  18   5.605   1.421   1.238
  139    HA   ARG  18           HA       ARG  18   6.163   3.057   3.615
  140   1HB   ARG  18          2HB       ARG  18   7.987   2.151   1.389
  141   2HB   ARG  18          1HB       ARG  18   8.414   3.449   2.496
  142   1HG   ARG  18          2HG       ARG  18   8.891   2.031   4.160
  143   2HG   ARG  18          1HG       ARG  18   7.533   0.968   3.782
  144   1HD   ARG  18          2HD       ARG  18   9.879   0.035   3.445
  145   2HD   ARG  18          1HD       ARG  18   8.734  -0.168   2.124
  146    HE   ARG  18           HE       ARG  18  10.106   1.106   0.824
  147   1HH1  ARG  18          1HH1      ARG  18  10.850   1.750   4.166
  148   2HH1  ARG  18          2HH1      ARG  18  12.207   2.765   3.803
  149   1HH2  ARG  18          1HH2      ARG  18  11.887   2.442   0.336
  150   2HH2  ARG  18          2HH2      ARG  18  12.796   3.159   1.624
  151    H    TRP  19           H        TRP  19   5.792   5.183   3.455
  152    HA   TRP  19           HA       TRP  19   5.799   6.406   0.817
  153   1HB   TRP  19          2HB       TRP  19   3.614   7.267   0.891
  154   2HB   TRP  19          1HB       TRP  19   3.457   5.581   1.360
  155    HD1  TRP  19           HD       TRP  19   2.791   9.077   2.570
  156    HE1  TRP  19           1HE      TRP  19   1.638   8.979   4.873
  157    HE3  TRP  19           3HE      TRP  19   3.455   4.112   3.608
  158    HZ2  TRP  19           2HZ      TRP  19   1.093   7.056   6.865
  159    HZ3  TRP  19           3HZ      TRP  19   2.590   3.225   5.734
  160    HH2  TRP  19           HH       TRP  19   1.433   4.669   7.327
  161    H    ARG  20           H        ARG  20   6.152   8.561   0.742
  162    HA   ARG  20           HA       ARG  20   6.379  10.100   3.193
  163   1HB   ARG  20          2HB       ARG  20   8.562   9.639   3.463
  164   2HB   ARG  20          1HB       ARG  20   8.682   8.894   1.877
  165   1HG   ARG  20          2HG       ARG  20   8.537  11.845   1.948
  166   2HG   ARG  20          1HG       ARG  20  10.015  11.098   2.557
  167   1HD   ARG  20          2HD       ARG  20   9.163   9.867   0.090
  168   2HD   ARG  20          1HD       ARG  20   9.354  11.609  -0.105
  169    HE   ARG  20           HE       ARG  20  11.483   9.843   0.919
  170   1HH1  ARG  20          1HH1      ARG  20  10.395  12.559  -0.972
  171   2HH1  ARG  20          2HH1      ARG  20  11.984  12.982  -1.514
  172   1HH2  ARG  20          1HH2      ARG  20  13.579  10.395   0.215
  173   2HH2  ARG  20          2HH2      ARG  20  13.794  11.752  -0.840
  174    HA   PRO  21           HA       PRO  21   5.010  13.346   0.535
  175   1HB   PRO  21          2HB       PRO  21   6.781  15.133   2.119
  176   2HB   PRO  21          1HB       PRO  21   5.044  15.251   1.813
  177   1HG   PRO  21          2HG       PRO  21   5.927  14.477   4.194
  178   2HG   PRO  21          1HG       PRO  21   4.518  13.691   3.455
  179   1HD   PRO  21          2HD       PRO  21   7.348  12.725   3.620
  180   2HD   PRO  21          1HD       PRO  21   5.835  11.824   3.861
  181    H    LYS  22           H        LYS  22   5.822  13.240  -1.471
  182    HA   LYS  22           HA       LYS  22   8.608  13.407  -2.064
  183   1HB   LYS  22          2HB       LYS  22   6.097  13.118  -3.599
  184   2HB   LYS  22          1HB       LYS  22   7.438  13.857  -4.462
  185   1HG   LYS  22          2HG       LYS  22   7.574  11.202  -3.048
  186   2HG   LYS  22          1HG       LYS  22   7.282  11.411  -4.775
  187   1HD   LYS  22          2HD       LYS  22   9.440  12.444  -5.066
  188   2HD   LYS  22          1HD       LYS  22   9.727  12.423  -3.325
  189   1HE   LYS  22          2HE       LYS  22   9.086   9.808  -4.488
  190   2HE   LYS  22          1HE       LYS  22  10.588  10.520  -5.076
  191   1HZ   LYS  22          1HZ       LYS  22  11.558  10.384  -3.043
  192   2HZ   LYS  22          2HZ       LYS  22  10.507   9.067  -2.903
  193   3HZ   LYS  22          3HZ       LYS  22  10.105  10.547  -2.191
  194    H    ASN  23           H        ASN  23   6.251  15.758  -1.425
  195    HA   ASN  23           HA       ASN  23   7.607  17.818  -2.994
  196   1HB   ASN  23          2HB       ASN  23   5.730  19.270  -2.310
  197   2HB   ASN  23          1HB       ASN  23   5.176  17.798  -3.101
  198   1HD2  ASN  23          1HD2      ASN  23   3.752  16.557  -2.086
  199   2HD2  ASN  23          2HD2      ASN  23   3.253  16.746  -0.443
  200    H    SER  24           H        SER  24   7.250  16.729   0.287
  201    HA   SER  24           HA       SER  24   8.659  19.121   1.254
  202   1HB   SER  24          2HB       SER  24   6.554  17.474   2.357
  203   2HB   SER  24          1HB       SER  24   7.926  17.549   3.463
  204    HG   SER  24           HG       SER  24   6.494  19.729   2.347
  205    H    VAL  25           H        VAL  25   9.141  15.882   0.450
  206    HA   VAL  25           HA       VAL  25  10.822  14.383   0.808
  207    HB   VAL  25           HB       VAL  25  12.616  16.675   1.386
  208   1HG1  VAL  25          1HG1      VAL  25  14.244  15.374   0.154
  209   2HG1  VAL  25          2HG1      VAL  25  13.014  14.167  -0.223
  210   3HG1  VAL  25          3HG1      VAL  25  13.537  14.402   1.445
  211   1HG2  VAL  25          1HG2      VAL  25  11.647  15.899  -1.353
  212   2HG2  VAL  25          2HG2      VAL  25  12.803  17.173  -0.965
  213   3HG2  VAL  25          3HG2      VAL  25  11.119  17.330  -0.468
  214    H    GLY  26           H        GLY  26   9.606  13.875   2.862
  215   1HA   GLY  26          2HA       GLY  26  11.244  14.547   5.227
  216   2HA   GLY  26          1HA       GLY  26   9.531  14.160   5.286
  217    H    ARG  27           H        ARG  27   9.963  12.543   6.853
  218    HA   ARG  27           HA       ARG  27  11.595  10.272   6.053
  219   1HB   ARG  27          2HB       ARG  27  10.315  11.186   8.581
  220   2HB   ARG  27          1HB       ARG  27  10.582   9.458   8.384
  221   1HG   ARG  27          2HG       ARG  27  12.763   9.651   8.772
  222   2HG   ARG  27          1HG       ARG  27  12.920  11.021   7.671
  223   1HD   ARG  27          2HD       ARG  27  12.672  12.553   9.322
  224   2HD   ARG  27          1HD       ARG  27  11.549  11.545  10.234
  225    HE   ARG  27           HE       ARG  27  13.358  10.504  11.283
  226   1HH1  ARG  27          1HH1      ARG  27  14.410  12.861   8.940
  227   2HH1  ARG  27          2HH1      ARG  27  16.033  12.924   9.541
  228   1HH2  ARG  27          1HH2      ARG  27  15.492  10.586  12.084
  229   2HH2  ARG  27          2HH2      ARG  27  16.647  11.633  11.329
  230    H    TRP  28           H        TRP  28  10.835   8.250   5.581
  231    HA   TRP  28           HA       TRP  28   8.183   8.078   4.542
  232   1HB   TRP  28          2HB       TRP  28  10.266   5.923   4.947
  233   2HB   TRP  28          1HB       TRP  28   8.783   5.737   4.019
  234    HD1  TRP  28           HD       TRP  28  11.949   7.994   3.932
  235    HE1  TRP  28           1HE      TRP  28  12.528   8.432   1.462
  236    HE3  TRP  28           3HE      TRP  28   8.026   5.560   1.736
  237    HZ2  TRP  28           2HZ      TRP  28  11.459   7.826  -1.082
  238    HZ3  TRP  28           3HZ      TRP  28   7.876   5.538  -0.720
  239    HH2  TRP  28           HH       TRP  28   9.558   6.647  -2.098
  240    H    LYS  29           H        LYS  29   6.991   5.884   5.059
  241    HA   LYS  29           HA       LYS  29   6.927   5.370   7.939
  242   1HB   LYS  29          2HB       LYS  29   4.805   6.667   6.353
  243   2HB   LYS  29          1HB       LYS  29   4.260   5.318   7.341
  244   1HG   LYS  29          2HG       LYS  29   4.758   6.381   9.315
  245   2HG   LYS  29          1HG       LYS  29   5.976   7.419   8.572
  246   1HD   LYS  29          2HD       LYS  29   4.396   9.007   8.649
  247   2HD   LYS  29          1HD       LYS  29   3.701   8.174   7.256
  248   1HE   LYS  29          2HE       LYS  29   2.096   8.670   9.127
  249   2HE   LYS  29          1HE       LYS  29   2.169   6.982   8.624
  250   1HZ   LYS  29          1HZ       LYS  29   3.395   8.199  11.036
  251   2HZ   LYS  29          2HZ       LYS  29   3.750   6.633  10.505
  252   3HZ   LYS  29          3HZ       LYS  29   2.175   7.027  10.978
  253    H    GLU  30           H        GLU  30   6.141   3.274   8.458
  254    HA   GLU  30           HA       GLU  30   5.842   1.527   6.102
  255   1HB   GLU  30          2HB       GLU  30   7.178   0.918   8.740
  256   2HB   GLU  30          1HB       GLU  30   6.900  -0.260   7.465
  257   1HG   GLU  30          2HG       GLU  30   8.547   0.567   6.144
  258   2HG   GLU  30          1HG       GLU  30   8.349   2.215   6.737
  259    H    ALA  31           H        ALA  31   4.250   0.091   6.027
  260    HA   ALA  31           HA       ALA  31   2.643  -0.458   8.407
  261   1HB   ALA  31          1HB       ALA  31   1.578   0.678   5.830
  262   2HB   ALA  31          2HB       ALA  31   1.417   1.338   7.457
  263   3HB   ALA  31          3HB       ALA  31   0.562  -0.141   7.017
  264    H    THR  32           H        THR  32   2.401  -2.592   8.574
  265    HA   THR  32           HA       THR  32   2.883  -4.241   6.214
  266    HB   THR  32           HB       THR  32   2.489  -5.566   8.824
  267    HG1  THR  32           1HG      THR  32   4.951  -4.857   8.986
  268   1HG2  THR  32          1HG2      THR  32   3.552  -6.216   6.340
  269   2HG2  THR  32          2HG2      THR  32   3.687  -7.168   7.819
  270   3HG2  THR  32          3HG2      THR  32   4.965  -6.034   7.380
  271    H    ILE  33           H        ILE  33   1.269  -4.969   5.094
  272    HA   ILE  33           HA       ILE  33  -1.151  -5.939   6.442
  273    HB   ILE  33           HB       ILE  33  -1.494  -4.583   3.808
  274   1HG1  ILE  33          2HG1      ILE  33  -1.928  -2.810   6.120
  275   2HG1  ILE  33          1HG1      ILE  33  -0.233  -3.154   5.773
  276   1HG2  ILE  33          1HG2      ILE  33  -3.391  -4.158   6.013
  277   2HG2  ILE  33          2HG2      ILE  33  -3.181  -5.843   5.509
  278   3HG2  ILE  33          3HG2      ILE  33  -3.676  -4.626   4.333
  279   1HD1  ILE  33          1HD1      ILE  33  -1.652  -2.530   3.354
  280   2HD1  ILE  33          2HD1      ILE  33  -0.241  -1.749   4.066
  281   3HD1  ILE  33          3HD1      ILE  33  -1.863  -1.256   4.557
  282    HA   PRO  34           HA       PRO  34   0.444  -9.319   3.882
  283   1HB   PRO  34          2HB       PRO  34  -1.876 -10.737   5.051
  284   2HB   PRO  34          1HB       PRO  34  -0.171 -11.190   5.023
  285   1HG   PRO  34          2HG       PRO  34  -1.323 -10.312   7.265
  286   2HG   PRO  34          1HG       PRO  34   0.348  -9.880   6.858
  287   1HD   PRO  34          2HD       PRO  34  -2.148  -8.243   6.617
  288   2HD   PRO  34          1HD       PRO  34  -0.523  -7.750   7.137
  289    H    GLY  35           H        GLY  35  -1.299 -11.280   2.946
  290   1HA   GLY  35          2HA       GLY  35  -2.143 -10.148   0.523
  291   2HA   GLY  35          1HA       GLY  35  -2.524 -11.766   1.078
  292    H    HIS  36           H        HIS  36  -3.718  -8.783   0.269
  293    HA   HIS  36           HA       HIS  36  -5.680  -7.648   1.159
  294   1HB   HIS  36          2HB       HIS  36  -7.366  -8.446  -0.557
  295   2HB   HIS  36          1HB       HIS  36  -5.792  -7.947  -1.175
  296    HD2  HIS  36           2HD      HIS  36  -4.198  -9.975  -2.216
  297    HE1  HIS  36           1HE      HIS  36  -7.251 -12.901  -2.096
  298    HE2  HIS  36           2HE      HIS  36  -5.004 -12.278  -3.092
  299    H    LEU  37           H        LEU  37  -5.698  -8.683   3.338
  300    HA   LEU  37           HA       LEU  37  -7.587 -10.825   3.774
  301   1HB   LEU  37          2HB       LEU  37  -7.084  -9.811   6.258
  302   2HB   LEU  37          1HB       LEU  37  -6.175 -11.096   5.494
  303    HG   LEU  37           HG       LEU  37  -5.336  -8.258   5.077
  304   1HD1  LEU  37          1HD1      LEU  37  -3.884  -9.478   7.230
  305   2HD1  LEU  37          2HD1      LEU  37  -5.596  -9.355   7.638
  306   3HD1  LEU  37          3HD1      LEU  37  -4.694  -7.909   7.172
  307   1HD2  LEU  37          1HD2      LEU  37  -3.873  -9.426   3.863
  308   2HD2  LEU  37          2HD2      LEU  37  -4.275 -10.943   4.666
  309   3HD2  LEU  37          3HD2      LEU  37  -3.136  -9.825   5.414
  310    H    ASN  38           H        ASN  38  -7.981  -7.680   3.061
  311    HA   ASN  38           HA       ASN  38  -9.837  -6.303   3.139
  312   1HB   ASN  38          2HB       ASN  38 -11.229  -8.425   3.704
  313   2HB   ASN  38          1HB       ASN  38 -11.009  -7.953   5.387
  314   1HD2  ASN  38          1HD2      ASN  38 -10.996  -5.053   4.269
  315   2HD2  ASN  38          2HD2      ASN  38 -12.683  -4.695   4.141
  316    H    SER  39           H        SER  39  -7.428  -6.631   4.485
  317    HA   SER  39           HA       SER  39  -7.479  -5.642   7.126
  318   1HB   SER  39          2HB       SER  39  -5.742  -7.128   6.037
  319   2HB   SER  39          1HB       SER  39  -5.117  -5.664   5.290
  320    HG   SER  39           HG       SER  39  -5.349  -6.224   8.059
  321    H    TYR  40           H        TYR  40  -5.861  -3.871   7.583
  322    HA   TYR  40           HA       TYR  40  -7.067  -1.443   6.824
  323   1HB   TYR  40          2HB       TYR  40  -6.169  -1.646   8.990
  324   2HB   TYR  40          1HB       TYR  40  -4.656  -2.280   8.401
  325    HD1  TYR  40           1HD      TYR  40  -2.834  -0.926   8.084
  326    HD2  TYR  40           2HD      TYR  40  -6.679   0.853   8.445
  327    HE1  TYR  40           1HE      TYR  40  -1.788   1.304   8.139
  328    HE2  TYR  40           2HE      TYR  40  -5.648   3.088   8.503
  329    HH   TYR  40           HH       TYR  40  -3.730   4.242   8.130
  330    H    THR  41           H        THR  41  -6.809  -0.650   4.849
  331    HA   THR  41           HA       THR  41  -4.144  -0.626   3.598
  332    HB   THR  41           HB       THR  41  -5.245  -0.198   1.494
  333    HG1  THR  41           1HG      THR  41  -7.012   0.978   1.733
  334   1HG2  THR  41          1HG2      THR  41  -5.678  -2.373   1.273
  335   2HG2  THR  41          2HG2      THR  41  -7.181  -2.197   2.179
  336   3HG2  THR  41          3HG2      THR  41  -5.671  -2.524   3.030
  337    H    ILE  42           H        ILE  42  -3.181   1.312   3.016
  338    HA   ILE  42           HA       ILE  42  -4.125   3.644   4.432
  339    HB   ILE  42           HB       ILE  42  -1.636   2.999   2.901
  340   1HG1  ILE  42          2HG1      ILE  42  -1.193   4.296   5.381
  341   2HG1  ILE  42          1HG1      ILE  42  -2.473   3.113   5.635
  342   1HG2  ILE  42          1HG2      ILE  42  -1.962   5.181   2.104
  343   2HG2  ILE  42          2HG2      ILE  42  -0.891   5.367   3.493
  344   3HG2  ILE  42          3HG2      ILE  42  -2.608   5.741   3.647
  345   1HD1  ILE  42          1HD1      ILE  42   0.373   2.732   5.138
  346   2HD1  ILE  42          2HD1      ILE  42  -0.677   1.681   4.188
  347   3HD1  ILE  42          3HD1      ILE  42  -0.793   1.687   5.948
  348    H    LYS  43           H        LYS  43  -5.185   5.322   3.648
  349    HA   LYS  43           HA       LYS  43  -5.002   6.318   1.019
  350   1HB   LYS  43          2HB       LYS  43  -7.324   5.776   0.274
  351   2HB   LYS  43          1HB       LYS  43  -6.260   4.378   0.344
  352   1HG   LYS  43          2HG       LYS  43  -7.259   3.628   2.376
  353   2HG   LYS  43          1HG       LYS  43  -8.187   5.122   2.528
  354   1HD   LYS  43          2HD       LYS  43  -9.708   4.497   0.943
  355   2HD   LYS  43          1HD       LYS  43  -8.536   3.531   0.046
  356   1HE   LYS  43          2HE       LYS  43 -10.142   2.050   1.036
  357   2HE   LYS  43          1HE       LYS  43  -8.606   1.853   1.879
  358   1HZ   LYS  43          1HZ       LYS  43  -9.742   2.196   3.738
  359   2HZ   LYS  43          2HZ       LYS  43 -11.132   2.678   2.904
  360   3HZ   LYS  43          3HZ       LYS  43  -9.929   3.811   3.268
  361    H    GLY  44           H        GLY  44  -7.358   7.601   0.669
  362   1HA   GLY  44          2HA       GLY  44  -8.509   9.467   1.343
  363   2HA   GLY  44          1HA       GLY  44  -8.662   8.649   2.889
  364    H    LEU  45           H        LEU  45  -6.705  10.862   0.997
  365    HA   LEU  45           HA       LEU  45  -5.458  11.799   3.494
  366   1HB   LEU  45          2HB       LEU  45  -4.377  12.023   0.672
  367   2HB   LEU  45          1HB       LEU  45  -3.579  12.587   2.131
  368    HG   LEU  45           HG       LEU  45  -2.481  10.587   1.649
  369   1HD1  LEU  45          1HD1      LEU  45  -4.502   9.269   3.360
  370   2HD1  LEU  45          2HD1      LEU  45  -3.758  10.745   3.981
  371   3HD1  LEU  45          3HD1      LEU  45  -2.747   9.370   3.535
  372   1HD2  LEU  45          1HD2      LEU  45  -4.907   8.916   1.337
  373   2HD2  LEU  45          2HD2      LEU  45  -3.328   8.784   0.562
  374   3HD2  LEU  45          3HD2      LEU  45  -4.482   9.998   0.011
  375    H    LYS  46           H        LYS  46  -4.855  14.218   3.389
  376    HA   LYS  46           HA       LYS  46  -7.228  15.632   2.440
  377   1HB   LYS  46          2HB       LYS  46  -6.493  17.449   3.942
  378   2HB   LYS  46          1HB       LYS  46  -6.700  15.918   4.777
  379   1HG   LYS  46          2HG       LYS  46  -4.586  15.892   5.436
  380   2HG   LYS  46          1HG       LYS  46  -3.990  16.276   3.823
  381   1HD   LYS  46          2HD       LYS  46  -3.326  18.018   5.333
  382   2HD   LYS  46          1HD       LYS  46  -4.562  18.657   4.248
  383   1HE   LYS  46          2HE       LYS  46  -5.897  19.148   5.960
  384   2HE   LYS  46          1HE       LYS  46  -5.769  17.508   6.595
  385   1HZ   LYS  46          1HZ       LYS  46  -3.556  18.246   7.530
  386   2HZ   LYS  46          2HZ       LYS  46  -4.933  18.903   8.261
  387   3HZ   LYS  46          3HZ       LYS  46  -4.030  19.832   7.173
  388    HA   PRO  47           HA       PRO  47  -5.585  17.327  -1.299
  389   1HB   PRO  47          2HB       PRO  47  -6.699  19.877  -0.407
  390   2HB   PRO  47          1HB       PRO  47  -7.141  18.881  -1.792
  391   1HG   PRO  47          2HG       PRO  47  -8.395  19.035   0.819
  392   2HG   PRO  47          1HG       PRO  47  -8.964  18.211  -0.640
  393   1HD   PRO  47          2HD       PRO  47  -8.146  16.904   1.609
  394   2HD   PRO  47          1HD       PRO  47  -8.025  16.214  -0.022
  395    H    GLY  48           H        GLY  48  -3.755  18.267  -1.914
  396   1HA   GLY  48          2HA       GLY  48  -2.167  20.032  -1.892
  397   2HA   GLY  48          1HA       GLY  48  -2.530  20.304  -0.200
  398    H    VAL  49           H        VAL  49  -2.209  17.038  -0.376
  399    HA   VAL  49           HA       VAL  49   0.705  17.225   0.055
  400    HB   VAL  49           HB       VAL  49  -0.643  15.048   1.488
  401   1HG1  VAL  49          1HG1      VAL  49   1.499  17.071   2.042
  402   2HG1  VAL  49          2HG1      VAL  49   1.633  15.316   1.926
  403   3HG1  VAL  49          3HG1      VAL  49   0.845  16.050   3.323
  404   1HG2  VAL  49          1HG2      VAL  49  -1.894  17.536   1.620
  405   2HG2  VAL  49          2HG2      VAL  49  -0.906  17.444   3.077
  406   3HG2  VAL  49          3HG2      VAL  49  -2.093  16.185   2.737
  407    H    VAL  50           H        VAL  50   1.954  15.925  -1.118
  408    HA   VAL  50           HA       VAL  50   0.682  13.648  -2.487
  409    HB   VAL  50           HB       VAL  50   2.347  15.640  -3.562
  410   1HG1  VAL  50          1HG1      VAL  50   3.828  13.030  -3.670
  411   2HG1  VAL  50          2HG1      VAL  50   4.232  14.297  -2.509
  412   3HG1  VAL  50          3HG1      VAL  50   4.356  14.613  -4.240
  413   1HG2  VAL  50          1HG2      VAL  50   1.430  14.809  -5.410
  414   2HG2  VAL  50          2HG2      VAL  50   0.743  13.515  -4.429
  415   3HG2  VAL  50          3HG2      VAL  50   2.305  13.288  -5.214
  416    H    TYR  51           H        TYR  51   1.663  11.608  -2.383
  417    HA   TYR  51           HA       TYR  51   3.925  11.338  -0.538
  418   1HB   TYR  51          2HB       TYR  51   1.297   9.862  -0.345
  419   2HB   TYR  51          1HB       TYR  51   2.760   9.351   0.490
  420    HD1  TYR  51           1HD      TYR  51   3.875  11.176   2.015
  421    HD2  TYR  51           2HD      TYR  51  -0.184  11.273   0.743
  422    HE1  TYR  51           1HE      TYR  51   3.327  12.658   3.897
  423    HE2  TYR  51           2HE      TYR  51  -0.743  12.759   2.622
  424    HH   TYR  51           HH       TYR  51   1.134  13.177   5.253
  425    H    GLU  52           H        GLU  52   5.427   9.931  -1.219
  426    HA   GLU  52           HA       GLU  52   4.987   8.540  -3.715
  427   1HB   GLU  52          2HB       GLU  52   7.170   9.649  -3.089
  428   2HB   GLU  52          1HB       GLU  52   7.395   8.388  -1.887
  429   1HG   GLU  52          2HG       GLU  52   8.617   8.030  -4.028
  430   2HG   GLU  52          1HG       GLU  52   7.556   6.707  -3.550
  431    H    GLY  53           H        GLY  53   4.399   6.437  -3.904
  432   1HA   GLY  53          2HA       GLY  53   4.312   4.879  -1.399
  433   2HA   GLY  53          1HA       GLY  53   3.122   4.744  -2.679
  434    H    GLN  54           H        GLN  54   5.402   3.090  -1.244
  435    HA   GLN  54           HA       GLN  54   6.056   1.560  -3.659
  436   1HB   GLN  54          2HB       GLN  54   8.033   1.993  -1.417
  437   2HB   GLN  54          1HB       GLN  54   8.321   1.213  -2.967
  438   1HG   GLN  54          2HG       GLN  54   7.704   3.502  -3.976
  439   2HG   GLN  54          1HG       GLN  54   7.998   4.118  -2.352
  440   1HE2  GLN  54          1HE2      GLN  54   9.671   1.488  -3.986
  441   2HE2  GLN  54          2HE2      GLN  54  11.220   2.251  -4.025
  442    H    LEU  55           H        LEU  55   5.092  -0.363  -3.400
  443    HA   LEU  55           HA       LEU  55   4.776  -1.405  -0.676
  444   1HB   LEU  55          2HB       LEU  55   3.143  -1.431  -3.050
  445   2HB   LEU  55          1HB       LEU  55   3.408  -3.064  -2.478
  446    HG   LEU  55           HG       LEU  55   2.295  -0.809  -0.803
  447   1HD1  LEU  55          1HD1      LEU  55   1.029  -2.277  -2.804
  448   2HD1  LEU  55          2HD1      LEU  55   0.265  -1.301  -1.548
  449   3HD1  LEU  55          3HD1      LEU  55   0.523  -3.026  -1.289
  450   1HD2  LEU  55          1HD2      LEU  55   3.600  -2.933   0.159
  451   2HD2  LEU  55          2HD2      LEU  55   2.005  -3.657  -0.044
  452   3HD2  LEU  55          3HD2      LEU  55   2.201  -2.226   0.967
  453    H    ILE  56           H        ILE  56   6.449  -2.613  -0.090
  454    HA   ILE  56           HA       ILE  56   7.582  -4.523  -2.016
  455    HB   ILE  56           HB       ILE  56   8.742  -3.681   0.652
  456   1HG1  ILE  56          2HG1      ILE  56  10.412  -2.701  -1.302
  457   2HG1  ILE  56          1HG1      ILE  56   8.828  -2.446  -2.012
  458   1HG2  ILE  56          1HG2      ILE  56  10.542  -4.998   0.178
  459   2HG2  ILE  56          2HG2      ILE  56  10.343  -4.812  -1.566
  460   3HG2  ILE  56          3HG2      ILE  56   9.299  -5.919  -0.672
  461   1HD1  ILE  56          1HD1      ILE  56  10.111  -0.762  -0.261
  462   2HD1  ILE  56          2HD1      ILE  56   8.934  -1.592   0.757
  463   3HD1  ILE  56          3HD1      ILE  56   8.399  -0.718  -0.678
  464    H    SER  57           H        SER  57   7.115  -6.637  -1.781
  465    HA   SER  57           HA       SER  57   5.495  -7.447   0.453
  466   1HB   SER  57          2HB       SER  57   6.156  -8.575  -2.186
  467   2HB   SER  57          1HB       SER  57   5.908  -9.755  -0.900
  468    HG   SER  57           HG       SER  57   3.903  -9.426  -1.572
  469    H    ILE  58           H        ILE  58   5.911  -9.101   1.816
  470    HA   ILE  58           HA       ILE  58   8.758  -9.656   2.295
  471    HB   ILE  58           HB       ILE  58   6.554  -9.365   4.330
  472   1HG1  ILE  58          2HG1      ILE  58   8.969  -7.671   3.678
  473   2HG1  ILE  58          1HG1      ILE  58   7.287  -7.237   3.398
  474   1HG2  ILE  58          1HG2      ILE  58   9.478  -9.747   4.904
  475   2HG2  ILE  58          2HG2      ILE  58   8.358 -11.104   4.796
  476   3HG2  ILE  58          3HG2      ILE  58   8.116  -9.856   6.018
  477   1HD1  ILE  58          1HD1      ILE  58   6.862  -6.955   5.680
  478   2HD1  ILE  58          2HD1      ILE  58   8.438  -6.210   5.413
  479   3HD1  ILE  58          3HD1      ILE  58   8.333  -7.810   6.147
  480    H    GLN  59           H        GLN  59   9.426 -11.670   2.480
  481    HA   GLN  59           HA       GLN  59   7.426 -13.827   2.476
  482   1HB   GLN  59          2HB       GLN  59   9.309 -13.482   0.628
  483   2HB   GLN  59          1HB       GLN  59  10.241 -14.412   1.792
  484   1HG   GLN  59          2HG       GLN  59   8.520 -15.393  -0.132
  485   2HG   GLN  59          1HG       GLN  59   9.254 -16.293   1.192
  486   1HE2  GLN  59          1HE2      GLN  59   7.947 -17.207   2.625
  487   2HE2  GLN  59          2HE2      GLN  59   6.252 -16.909   2.776
  488    H    GLN  60           H        GLN  60   8.813 -15.958   3.256
  489    HA   GLN  60           HA       GLN  60   8.952 -15.695   6.030
  490   1HB   GLN  60          2HB       GLN  60   9.072 -17.801   4.169
  491   2HB   GLN  60          1HB       GLN  60  10.541 -17.923   5.127
  492   1HG   GLN  60          2HG       GLN  60   7.825 -17.657   6.375
  493   2HG   GLN  60          1HG       GLN  60   8.525 -19.216   5.943
  494   1HE2  GLN  60          1HE2      GLN  60  11.020 -19.172   6.675
  495   2HE2  GLN  60          2HE2      GLN  60  11.215 -18.824   8.355
  496    H    TYR  61           H        TYR  61  11.368 -15.385   3.536
  497    HA   TYR  61           HA       TYR  61  13.460 -15.001   5.561
  498   1HB   TYR  61          2HB       TYR  61  15.078 -15.338   3.804
  499   2HB   TYR  61          1HB       TYR  61  13.898 -16.644   3.733
  500    HD1  TYR  61           1HD      TYR  61  11.962 -16.356   2.034
  501    HD2  TYR  61           2HD      TYR  61  15.578 -14.121   1.886
  502    HE1  TYR  61           1HE      TYR  61  11.548 -15.855  -0.337
  503    HE2  TYR  61           2HE      TYR  61  15.175 -13.613  -0.486
  504    HH   TYR  61           HH       TYR  61  13.523 -15.090  -2.429
  505    H    GLY  62           H        GLY  62  11.298 -13.219   3.781
  506   1HA   GLY  62          2HA       GLY  62  11.196 -10.847   3.954
  507   2HA   GLY  62          1HA       GLY  62  12.943 -10.812   4.121
  508    H    HIS  63           H        HIS  63  11.386  -9.179   2.375
  509    HA   HIS  63           HA       HIS  63  11.453  -8.340   0.263
  510   1HB   HIS  63          2HB       HIS  63  13.954  -9.171   0.658
  511   2HB   HIS  63          1HB       HIS  63  13.522 -10.288  -0.632
  512    HD2  HIS  63           2HD      HIS  63  13.352  -9.213  -3.147
  513    HE1  HIS  63           1HE      HIS  63  14.336  -5.264  -1.984
  514    HE2  HIS  63           2HE      HIS  63  13.821  -6.789  -3.944
  515    H    GLN  64           H        GLN  64  10.180  -8.670  -1.509
  516    HA   GLN  64           HA       GLN  64   9.928 -11.279  -2.679
  517   1HB   GLN  64          2HB       GLN  64   7.996 -10.363  -0.689
  518   2HB   GLN  64          1HB       GLN  64   7.266 -10.889  -2.200
  519   1HG   GLN  64          2HG       GLN  64   8.881 -12.445  -0.237
  520   2HG   GLN  64          1HG       GLN  64   7.303 -12.813  -0.931
  521   1HE2  GLN  64          1HE2      GLN  64  10.331 -13.856  -0.881
  522   2HE2  GLN  64          2HE2      GLN  64  10.475 -14.528  -2.466
  523    H    GLU  65           H        GLU  65   7.702  -8.495  -2.418
  524    HA   GLU  65           HA       GLU  65   8.007  -8.080  -5.318
  525   1HB   GLU  65          2HB       GLU  65   5.930  -9.441  -4.290
  526   2HB   GLU  65          1HB       GLU  65   5.300  -7.807  -4.148
  527   1HG   GLU  65          2HG       GLU  65   4.998  -7.591  -6.362
  528   2HG   GLU  65          1HG       GLU  65   6.500  -8.428  -6.751
  529    H    VAL  66           H        VAL  66   8.637  -6.001  -5.621
  530    HA   VAL  66           HA       VAL  66   7.307  -3.969  -3.966
  531    HB   VAL  66           HB       VAL  66   9.379  -3.694  -3.099
  532   1HG1  VAL  66          1HG1      VAL  66  10.855  -4.147  -5.655
  533   2HG1  VAL  66          2HG1      VAL  66  10.318  -5.496  -4.652
  534   3HG1  VAL  66          3HG1      VAL  66  11.420  -4.290  -3.989
  535   1HG2  VAL  66          1HG2      VAL  66   8.636  -1.733  -4.822
  536   2HG2  VAL  66          2HG2      VAL  66  10.278  -2.075  -5.368
  537   3HG2  VAL  66          3HG2      VAL  66   9.983  -1.621  -3.690
  538    H    THR  67           H        THR  67   6.301  -2.401  -4.958
  539    HA   THR  67           HA       THR  67   6.872  -1.872  -7.797
  540    HB   THR  67           HB       THR  67   4.072  -1.662  -6.740
  541    HG1  THR  67           1HG      THR  67   4.794  -3.816  -6.302
  542   1HG2  THR  67          1HG2      THR  67   3.767  -0.993  -8.849
  543   2HG2  THR  67          2HG2      THR  67   4.135  -2.641  -9.357
  544   3HG2  THR  67          3HG2      THR  67   5.418  -1.433  -9.287
  545    H    ARG  68           H        ARG  68   6.802   0.277  -8.410
  546    HA   ARG  68           HA       ARG  68   6.523   2.191  -6.200
  547   1HB   ARG  68          2HB       ARG  68   7.872   2.654  -8.859
  548   2HB   ARG  68          1HB       ARG  68   7.957   3.673  -7.428
  549   1HG   ARG  68          2HG       ARG  68   8.874   1.335  -6.431
  550   2HG   ARG  68          1HG       ARG  68   9.435   1.231  -8.100
  551   1HD   ARG  68          2HD       ARG  68  10.081   3.293  -6.020
  552   2HD   ARG  68          1HD       ARG  68  11.184   2.287  -6.957
  553    HE   ARG  68           HE       ARG  68   9.735   4.641  -7.954
  554   1HH1  ARG  68          1HH1      ARG  68  12.228   2.230  -8.309
  555   2HH1  ARG  68          2HH1      ARG  68  12.986   3.027  -9.648
  556   1HH2  ARG  68          1HH2      ARG  68  10.726   5.694  -9.715
  557   2HH2  ARG  68          2HH2      ARG  68  12.133   4.996 -10.447
  558    H    PHE  69           H        PHE  69   5.060   3.765  -6.220
  559    HA   PHE  69           HA       PHE  69   3.792   4.660  -8.647
  560   1HB   PHE  69          2HB       PHE  69   1.477   4.218  -7.428
  561   2HB   PHE  69          1HB       PHE  69   2.206   3.023  -8.492
  562    HD1  PHE  69           1HD      PHE  69   2.270   4.011  -4.888
  563    HD2  PHE  69           2HD      PHE  69   2.299   0.862  -7.752
  564    HE1  PHE  69           1HE      PHE  69   2.202   2.360  -3.067
  565    HE2  PHE  69           2HE      PHE  69   2.237  -0.795  -5.935
  566    HZ   PHE  69           HZ       PHE  69   2.186  -0.045  -3.590
  567    H    ASP  70           H        ASP  70   3.088   6.712  -8.493
  568    HA   ASP  70           HA       ASP  70   3.450   8.032  -5.908
  569   1HB   ASP  70          2HB       ASP  70   3.431  10.128  -7.165
  570   2HB   ASP  70          1HB       ASP  70   4.587   9.006  -7.882
  571    H    PHE  71           H        PHE  71   1.810   9.171  -4.884
  572    HA   PHE  71           HA       PHE  71  -0.785   9.288  -6.166
  573   1HB   PHE  71          2HB       PHE  71  -1.964   8.031  -4.518
  574   2HB   PHE  71          1HB       PHE  71  -0.616   7.038  -5.069
  575    HD1  PHE  71           1HD      PHE  71  -2.086   8.827  -2.259
  576    HD2  PHE  71           2HD      PHE  71   1.295   6.624  -3.613
  577    HE1  PHE  71           1HE      PHE  71  -1.365   8.505   0.072
  578    HE2  PHE  71           2HE      PHE  71   2.021   6.301  -1.284
  579    HZ   PHE  71           HZ       PHE  71   0.690   7.239   0.562
  580    H    THR  72           H        THR  72  -2.361  10.488  -4.909
  581    HA   THR  72           HA       THR  72  -1.236  12.316  -2.935
  582    HB   THR  72           HB       THR  72  -3.113  13.632  -4.741
  583    HG1  THR  72           1HG      THR  72  -0.525  13.115  -5.789
  584   1HG2  THR  72          1HG2      THR  72  -0.676  14.984  -4.675
  585   2HG2  THR  72          2HG2      THR  72  -0.836  14.232  -3.088
  586   3HG2  THR  72          3HG2      THR  72  -2.102  15.304  -3.687
  587    H    THR  73           H        THR  73  -2.990  13.695  -2.021
  588    HA   THR  73           HA       THR  73  -4.898  12.144  -0.726
  589    HB   THR  73           HB       THR  73  -5.630  14.153   0.259
  590    HG1  THR  73           1HG      THR  73  -6.159  15.592  -1.236
  591   1HG2  THR  73          1HG2      THR  73  -2.946  13.586   0.053
  592   2HG2  THR  73          2HG2      THR  73  -3.661  14.754   1.164
  593   3HG2  THR  73          3HG2      THR  73  -3.018  15.292  -0.388
  594    H    THR  74           H        THR  74  -7.018  14.340  -1.127
  595    HA   THR  74           HA       THR  74  -8.661  12.874  -2.937
  596    HB   THR  74           HB       THR  74 -10.402  14.344  -2.371
  597    HG1  THR  74           1HG      THR  74  -9.965  16.408  -2.469
  598   1HG2  THR  74          1HG2      THR  74  -8.657  14.568   0.075
  599   2HG2  THR  74          2HG2      THR  74  -9.364  13.037  -0.439
  600   3HG2  THR  74          3HG2      THR  74 -10.410  14.390  -0.013
  601    H    SER  75           H        SER  75  -6.126  14.540  -3.763
  602    HA   SER  75           HA       SER  75  -7.303  16.196  -5.857
  603   1HB   SER  75          2HB       SER  75  -5.371  16.987  -4.414
  604   2HB   SER  75          1HB       SER  75  -4.367  15.806  -5.254
  605    HG   SER  75           HG       SER  75  -5.079  18.252  -6.049
  606    H    THR  76           H        THR  76  -5.415  13.272  -5.427
  607    HA   THR  76           HA       THR  76  -4.977  11.517  -6.802
  608    HB   THR  76           HB       THR  76  -6.642  12.665  -9.009
  609    HG1  THR  76           1HG      THR  76  -8.439  11.579  -7.770
  610   1HG2  THR  76          1HG2      THR  76  -7.374  10.211  -9.033
  611   2HG2  THR  76          2HG2      THR  76  -6.028   9.927  -7.928
  612   3HG2  THR  76          3HG2      THR  76  -5.724  10.569  -9.543
  613    H    SER  77           H        SER  77  -3.430  10.977  -8.280
  614    HA   SER  77           HA       SER  77  -2.519  12.929 -10.232
  615   1HB   SER  77          2HB       SER  77  -0.197  12.892  -9.451
  616   2HB   SER  77          1HB       SER  77  -1.258  13.510  -8.184
  617    HG   SER  77           HG       SER  77  -1.087  10.862  -7.943
  618    H    THR  78           H        THR  78  -3.632  10.102  -9.965
  619    HA   THR  78           HA       THR  78  -1.503   8.667 -11.402
  620    HB   THR  78           HB       THR  78  -2.730   6.600 -10.859
  621    HG1  THR  78           1HG      THR  78  -4.626   6.657  -9.829
  622   1HG2  THR  78          1HG2      THR  78  -1.139   6.845  -9.247
  623   2HG2  THR  78          2HG2      THR  78  -2.565   7.001  -8.222
  624   3HG2  THR  78          3HG2      THR  78  -1.712   8.444  -8.771
  625    HA   PRO  79           HA       PRO  79  -4.289   9.342 -14.878
  626   1HB   PRO  79          2HB       PRO  79  -2.530   8.839 -16.827
  627   2HB   PRO  79          1HB       PRO  79  -2.445  10.326 -15.873
  628   1HG   PRO  79          2HG       PRO  79  -0.839   7.813 -15.605
  629   2HG   PRO  79          1HG       PRO  79  -0.294   9.499 -15.537
  630   1HD   PRO  79          2HD       PRO  79  -0.775   7.950 -13.321
  631   2HD   PRO  79          1HD       PRO  79  -0.881   9.723 -13.335
  632    H    GLY  80           H        GLY  80  -2.832   6.496 -13.756
  633   1HA   GLY  80          2HA       GLY  80  -4.611   4.640 -14.257
  634   2HA   GLY  80          1HA       GLY  80  -3.980   4.840 -15.885
  635    H    SER  81           H        SER  81  -3.363   3.640 -12.688
  636    HA   SER  81           HA       SER  81  -1.802   2.233 -11.826
  637   1HB   SER  81          2HB       SER  81  -2.753   0.829 -13.700
  638   2HB   SER  81          1HB       SER  81  -1.369   1.321 -14.675
  639    HG   SER  81           HG       SER  81  -0.230   0.518 -12.569
  640    H    ARG  82           H        ARG  82   0.060   2.106 -14.747
  641    HA   ARG  82           HA       ARG  82   1.796   4.283 -14.226
  642   1HB   ARG  82          2HB       ARG  82   2.256   2.440 -12.386
  643   2HB   ARG  82          1HB       ARG  82   3.178   1.692 -13.682
  644   1HG   ARG  82          2HG       ARG  82   4.383   3.903 -13.921
  645   2HG   ARG  82          1HG       ARG  82   3.617   4.371 -12.401
  646   1HD   ARG  82          2HD       ARG  82   5.534   3.497 -11.552
  647   2HD   ARG  82          1HD       ARG  82   4.592   2.009 -11.651
  648    HE   ARG  82           HE       ARG  82   6.617   2.845 -13.626
  649   1HH1  ARG  82          1HH1      ARG  82   4.808   0.383 -11.947
  650   2HH1  ARG  82          2HH1      ARG  82   5.663  -0.930 -12.685
  651   1HH2  ARG  82          1HH2      ARG  82   7.744   1.122 -14.605
  652   2HH2  ARG  82          2HH2      ARG  82   7.332  -0.510 -14.196
  653    H    SER  83           H        SER  83   2.958   1.085 -15.128
  654    HA   SER  83           HA       SER  83   2.791   1.758 -17.966
  655   1HB   SER  83          2HB       SER  83   5.417   0.687 -17.074
  656   2HB   SER  83          1HB       SER  83   5.041   1.810 -18.381
  657    HG   SER  83           HG       SER  83   4.652   3.399 -16.723
  658    H    HIS  84           H        HIS  84   4.576  -0.369 -18.747
  659    HA   HIS  84           HA       HIS  84   2.750  -2.522 -18.788
  660   1HB   HIS  84          2HB       HIS  84   5.485  -2.008 -19.793
  661   2HB   HIS  84          1HB       HIS  84   5.059  -3.699 -19.558
  662    HD2  HIS  84           2HD      HIS  84   2.708  -0.909 -21.045
  663    HE1  HIS  84           1HE      HIS  84   3.271  -4.007 -23.872
  664    HE2  HIS  84           2HE      HIS  84   2.186  -1.757 -23.439
  665    H    HIS  85           H        HIS  85   3.976  -4.835 -18.370
  666    HA   HIS  85           HA       HIS  85   5.071  -4.815 -15.654
  667   1HB   HIS  85          2HB       HIS  85   2.447  -5.272 -15.939
  668   2HB   HIS  85          1HB       HIS  85   3.036  -6.899 -16.259
  669    HD2  HIS  85           2HD      HIS  85   5.131  -5.116 -13.621
  670    HE1  HIS  85           1HE      HIS  85   2.311  -7.533 -11.595
  671    HE2  HIS  85           2HE      HIS  85   4.500  -6.274 -11.387
  672    H    HIS  86           H        HIS  86   5.801  -5.502 -18.596
  673    HA   HIS  86           HA       HIS  86   7.117  -6.991 -19.698
  674   1HB   HIS  86          2HB       HIS  86   8.448  -6.487 -17.523
  675   2HB   HIS  86          1HB       HIS  86   7.976  -8.115 -17.048
  676    HD2  HIS  86           2HD      HIS  86  10.268  -9.485 -17.374
  677    HE1  HIS  86           1HE      HIS  86  11.093  -8.180 -21.314
  678    HE2  HIS  86           2HE      HIS  86  11.913  -9.595 -19.376
  679    H    HIS  87           H        HIS  87   5.235  -8.108 -20.475
  680    HA   HIS  87           HA       HIS  87   4.101 -10.329 -19.138
  681   1HB   HIS  87          2HB       HIS  87   4.128  -9.957 -22.129
  682   2HB   HIS  87          1HB       HIS  87   2.900 -10.739 -21.138
  683    HD2  HIS  87           2HD      HIS  87   2.732  -7.897 -23.163
  684    HE1  HIS  87           1HE      HIS  87   1.276  -6.381 -19.488
  685    HE2  HIS  87           2HE      HIS  87   1.577  -5.908 -21.963
  686    H    HIS  88           H        HIS  88   4.939 -12.264 -18.793
  687    HA   HIS  88           HA       HIS  88   7.142 -13.178 -20.516
  688   1HB   HIS  88          2HB       HIS  88   7.590 -12.851 -18.052
  689   2HB   HIS  88          1HB       HIS  88   6.474 -14.179 -17.747
  690    HD2  HIS  88           2HD      HIS  88   7.383 -16.718 -18.515
  691    HE1  HIS  88           1HE      HIS  88  11.363 -15.432 -19.158
  692    HE2  HIS  88           2HE      HIS  88   9.860 -17.439 -18.780
  693    H    HIS  89           H        HIS  89   4.306 -14.372 -18.728
  694    HA   HIS  89           HA       HIS  89   4.305 -16.846 -20.234
  695   1HB   HIS  89          2HB       HIS  89   3.507 -16.257 -17.712
  696   2HB   HIS  89          1HB       HIS  89   1.965 -16.170 -18.557
  697    HD2  HIS  89           2HD      HIS  89   1.302 -18.516 -17.068
  698    HE1  HIS  89           1HE      HIS  89   3.735 -20.994 -19.488
  699    HE2  HIS  89           2HE      HIS  89   2.017 -20.948 -17.623