*HEADER    FERREDOXIN                              15-FEB-99   1B9R              
*TITLE     TERPREDOXIN FROM PSEUDOMONAS SP.                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TERPREDOXIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.;                                
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   4 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS;                           
*SOURCE   5 EXPRESSION_SYSTEM_VECTOR: PET                                        
*KEYWDS    STRUCTURE FROM MOLMOL                                                 
*EXPDTA    NMR                                                                   
*AUTHOR    H.MO, S.S.POCHAPSKY, T.C.POCHAPSKY                                    
*REVDAT   1   11-MAY-99 1B9R    0                                                
constraints
 dihedral 
!intraresidue  phi and chi angles 
!phi angle
assign (resid 2 and name c)        (resid 3 and name n)
             (resid 3 and name ca)         (resid 3 and name c)
     1      -130.000     40.0     2
assign (resid 3 and name c)        (resid 4 and name n)
             (resid 4 and name ca)         (resid 4 and name c)
     1      -130.000     40.0     2
assign (resid 4 and name c)        (resid 5 and name n)
             (resid 5 and name ca)         (resid 5 and name c)
     1      -130.000     40.0     2
assign (resid 5 and name c)        (resid 6 and name n)
             (resid 6 and name ca)         (resid 6 and name c)
     1      -130.000     40.0     2
assign (resid 6 and name c)        (resid 7 and name n)
             (resid 7 and name ca)         (resid 7 and name c)
     1      -130.000     40.0     2
assign (resid 8 and name c)        (resid 9 and name n)
             (resid 9 and name ca)         (resid 9 and name c)
     1      -130.000     40.0     2
assign (resid 9 and name c)        (resid 10 and name n)
             (resid 10 and name ca)        (resid 10 and name c)
     1      -130.000     40.0     2
assign (resid 11 and name c)       (resid 12 and name n)
             (resid 12 and name ca)        (resid 12 and name c)
     1      -130.000     60.0     2
assign (resid 12 and name c)       (resid 13 and name n)
             (resid 13 and name ca)        (resid 13 and name c)
     1      -130.000     40.0     2
assign (resid 14 and name c)       (resid 15 and name n)
             (resid 15 and name ca)        (resid 15 and name c)
     1      -130.000     40.0     2
assign (resid 15 and name c)       (resid 16 and name n)
             (resid 16 and name ca)        (resid 16 and name c)
     1      -130.000     40.0     2
assign (resid 16 and name c)       (resid 17 and name n)
             (resid 17 and name ca)        (resid 17 and name c)
     1      -130.000     40.0     2
assign (resid 17 and name c)       (resid 18 and name n)
             (resid 18 and name ca)        (resid 18 and name c)
     1      -130.000     40.0     2
assign (resid 20 and name c)       (resid 21 and name n)
             (resid 21 and name ca)        (resid 21 and name c)
     1      -130.000     40.0     2
assign (resid 21 and name c)       (resid 22 and name n)
             (resid 22 and name ca)        (resid 22 and name c)
     1      -130.000     40.0     2
assign (resid 24 and name c)       (resid 25 and name n)
             (resid 25 and name ca)        (resid 25 and name c)
     1      -70.000      20.0     2
assign (resid 25 and name c)       (resid 26 and name n)
             (resid 26 and name ca)        (resid 26 and name c)
     1      -70.000      20.0     2
assign (resid 26 and name c)       (resid 27 and name n)
             (resid 27 and name ca)        (resid 27 and name c)
     1      -70.000      40.0     2
assign (resid 27 and name c)       (resid 28 and name n)
             (resid 28 and name ca)        (resid 28 and name c)
     1      -70.000      20.0     2
assign (resid 28 and name c)       (resid 29 and name n)
             (resid 29 and name ca)        (resid 29 and name c)
     1      -70.000      20.0     2
assign (resid 29 and name c)       (resid 30 and name n)
             (resid 30 and name ca)        (resid 30 and name c)
     1      -130.000      40.0     2
assign (resid 31 and name c)       (resid 32 and name n)
             (resid 32 and name ca)        (resid 32 and name c)
     1      -70.000      20.0     2
assign (resid 50 and name c)       (resid 51 and name n)
             (resid 51 and name ca)        (resid 51 and name c)
     1      -130.000      40.0     2
assign (resid 51 and name c)       (resid 52 and name n)
             (resid 52 and name ca)        (resid 52 and name c)
     1      -130.000      60.0     2
assign (resid 52 and name c)       (resid 53 and name n)
             (resid 53 and name ca)        (resid 53 and name c)
     1      -70.000      20.0     2
assign (resid 53 and name c)       (resid 54 and name n)
             (resid 54 and name ca)        (resid 54 and name c)
     1      -70.000      20.0     2
assign (resid 54 and name c)       (resid 55 and name n)
             (resid 55 and name ca)        (resid 55 and name c)
     1      -70.000      40.0     2
assign (resid 55 and name c)       (resid 56 and name n)
             (resid 56 and name ca)        (resid 56 and name c)
     1      -130.000      40.0     2
assign (resid 56 and name c)       (resid 57 and name n)
             (resid 57 and name ca)        (resid 57 and name c)
     1      -70.000      20.0     2
assign (resid 57 and name c)       (resid 58 and name n)
             (resid 58 and name ca)        (resid 58 and name c)
     1      -70.000      20.0     2
assign (resid 58 and name c)       (resid 59 and name n)
             (resid 59 and name ca)        (resid 59 and name c)
     1      -130.000      40.0     2
assign (resid 59 and name c)       (resid 60 and name n)
             (resid 60 and name ca)        (resid 60 and name c)
     1      -70.000      20.0     2
assign (resid 61 and name c)       (resid 62 and name n)
             (resid 62 and name ca)        (resid 62 and name c)
     1      -70.000      20.0     2
assign (resid 62 and name c)       (resid 63 and name n)
             (resid 63 and name ca)        (resid 63 and name c)
     1      -70.000      20.0     2
assign (resid 63 and name c)       (resid 64 and name n)
             (resid 64 and name ca)        (resid 64 and name c)
     1      -70.000      20.0     2
assign (resid 65 and name c)       (resid 66 and name n)
             (resid 66 and name ca)        (resid 66 and name c)
     1      -70.000      20.0     2
assign (resid 67 and name c)       (resid 68 and name n)
             (resid 68 and name ca)        (resid 68 and name c)
     1      -70.000      20.0     2
assign (resid 68 and name c)       (resid 69 and name n)
             (resid 69 and name ca)        (resid 69 and name c)
     1      -70.000      20.0     2
assign (resid 69 and name c)       (resid 70 and name n)
             (resid 70 and name ca)        (resid 70 and name c)
     1      -70.000      20.0     2
assign (resid 70 and name c)       (resid 71 and name n)
             (resid 71 and name ca)        (resid 71 and name c)
     1      -70.000      20.0     2
assign (resid 71 and name c)       (resid 72 and name n)
             (resid 72 and name ca)        (resid 72 and name c)
     1      -70.000      20.0     2
assign (resid 72 and name c)       (resid 73 and name n)
             (resid 73 and name ca)        (resid 73 and name c)
     1      -70.000      20.0     2
assign (resid 73 and name c)       (resid 74 and name n)
             (resid 74 and name ca)        (resid 74 and name c)
     1      -70.000      20.0     2
assign (resid 75 and name c)       (resid 76 and name n)
             (resid 76 and name ca)        (resid 76 and name c)
     1      -130.000      40.0     2
assign (resid 77 and name c)       (resid 78 and name n)
             (resid 78 and name ca)        (resid 78 and name c)
     1      -130.000      40.0     2
assign (resid 78 and name c)       (resid 79 and name n)
             (resid 79 and name ca)        (resid 79 and name c)
     1      -130.000      40.0     2
assign (resid 81 and name c)       (resid 82 and name n)
             (resid 82 and name ca)        (resid 82 and name c)
     1      -70.000      20.0     2
assign (resid 82 and name c)       (resid 83 and name n)
             (resid 83 and name ca)        (resid 83 and name c)
     1      -130.000      40.0     2
assign (resid 87 and name c)       (resid 88 and name n)
             (resid 88 and name ca)        (resid 88 and name c)
     1      -130.000      40.0     2
assign (resid 88 and name c)       (resid 89 and name n)
             (resid 89 and name ca)        (resid 89 and name c)
     1      -130.000      60.0     2
assign (resid 89 and name c)       (resid 90 and name n)
             (resid 90 and name ca)        (resid 90 and name c)
     1      -70.000      40.0     2
assign (resid 90 and name c)       (resid 91 and name n)
             (resid 91 and name ca)        (resid 91 and name c)
     1      -130.000      60.0     2
assign (resid 92 and name c)       (resid 93 and name n)
             (resid 93 and name ca)        (resid 93 and name c)
     1      -130.000      60.0     2
assign (resid 93 and name c)       (resid 94 and name n)
             (resid 94 and name ca)        (resid 94 and name c)
     1      -130.000      40.0     2
assign (resid 94 and name c)       (resid 95 and name n)
             (resid 95 and name ca)        (resid 95 and name c)
     1      -70.000      20.0     2
assign (resid 96 and name c)       (resid 97 and name n)
             (resid 97 and name ca)        (resid 97 and name c)
     1      -70.000      20.0     2
assign (resid 98 and name c)       (resid 99 and name n)
             (resid 99 and name ca)        (resid 99 and name c)
     1      -130.000      40.0     2
assign (resid 99 and name c)       (resid 100 and name n)
             (resid 100 and name ca)       (resid 100 and name c)
     1      -130.000      40.0     2
assign (resid 100 and name c)      (resid 101 and name n)
             (resid 101 and name ca)       (resid 101 and name c)
     1      -130.000      40.0     2
assign (resid 102 and name c)      (resid 103 and name n)
             (resid 103 and name ca)       (resid 103 and name c)
     1      -130.000      60.0     2
assign (resid 104 and name c)      (resid 104 and name n)
             (resid 105 and name ca)       (resid 105 and name c)
     1      -130.000      60.0     2

!chi angle
assign (resid 3 and name ha)       (resid 3 and name ca)
             (resid 3 and name cb)         (resid 3 and name hb)
     1      180.000     40.0     2
assign (resid 4 and name ha)       (resid 4 and name ca)
             (resid 4 and name cb)         (resid 4 and name hb)
     1      180.000     40.0     2
assign (resid 5 and name ha)       (resid 5 and name ca)
             (resid 5 and name cb)         (resid 5 and name hb2)
     1      180.000     40.0     2
assign (resid 6 and name ha)       (resid 6 and name ca)
             (resid 6 and name cb)         (resid 6 and name hb)
     1      180.000     40.0     2
assign (resid 9 and name ha)       (resid 9 and name ca)
             (resid 9 and name cb)         (resid 9 and name hb2)
     1      180.000     40.0     2
assign (resid 13 and name ha)      (resid 13 and name ca)
             (resid 13 and name cb)        (resid 13 and name hb2)
     1      180.000     40.0     2
assign (resid 15 and name ha)      (resid 15 and name ca)
             (resid 15 and name cb)        (resid 15 and name cg1)
     1      180.000     40.0     2
assign (resid 16 and name ha)      (resid 16 and name ca)
             (resid 16 and name cb)        (resid 16 and name hb2)
     1      180.000     40.0     2
assign (resid 18 and name ha)      (resid 18 and name ca)
             (resid 18 and name cb)        (resid 18 and name hb2)
     1      180.000     40.0     2
assign (resid 19 and name ha)      (resid 19 and name ca)
             (resid 19 and name cb)        (resid 19 and name hb2)
     1      180.000     40.0     2
assign (resid 21 and name ha)      (resid 21 and name ca)
             (resid 21 and name cb)        (resid 21 and name hb2)
     1      180.000     40.0     2
assign (resid 22 and name n)       (resid 22 and name ca)
             (resid 22 and name cb)        (resid 22 and name hb2)
     1      180.000     40.0     2
assign (resid 26 and name ha)      (resid 26 and name ca)
             (resid 26 and name cb)        (resid 26 and name hb)
     1      180.000     40.0     2
assign (resid 28 and name n)       (resid 28 and name ca)
             (resid 28 and name cb)        (resid 28 and name hb)
     1      180.000     40.0     2
assign (resid 29 and name ha)      (resid 29 and name ca)
             (resid 29 and name cb)        (resid 29 and name hb2)
     1      180.000     40.0     2
assign (resid 30 and name ha)      (resid 30 and name ca)
             (resid 30 and name cb)        (resid 30 and name hb2)
     1      180.000     40.0     2
assign (resid 32 and name ha)      (resid 32 and name ca)
             (resid 32 and name cb)        (resid 32 and name hb)
     1      180.000     40.0     2
assign (resid 35 and name ha)      (resid 35 and name ca)
             (resid 35 and name cb)        (resid 35 and name hb)
     1      180.000     40.0     2
assign (resid 51 and name ha)      (resid 51 and name ca)
             (resid 51 and name cb)        (resid 51 and name hb2)
     1      180.000     40.0     2
assign (resid 52 and name ha)      (resid 52 and name ca)
             (resid 52 and name cb)        (resid 52 and name hb)
     1      180.000     40.0     2
assign (resid 53 and name ha)      (resid 53 and name ca)
             (resid 53 and name cb)        (resid 53 and name cg)
     1      180.000     40.0     2
assign (resid 56 and name ha)      (resid 56 and name ca)
             (resid 56 and name cb)        (resid 56 and name hb2)
     1      180.000     40.0     2
assign (resid 57 and name ha)      (resid 57 and name ca)
             (resid 57 and name cb)        (resid 57 and name hb)
     1      180.000     40.0     2
assign (resid 58 and name ha)      (resid 58 and name ca)
             (resid 58 and name cb)        (resid 58 and name hb2)
     1      180.000     40.0     2
assign (resid 59 and name ha)      (resid 59 and name ca)
             (resid 59 and name cb)        (resid 59 and name hb)
     1      180.000     40.0     2
assign (resid 60 and name ha)      (resid 60 and name ca)
             (resid 60 and name cb)        (resid 60 and name hb)
     1      180.000     40.0     2
assign (resid 62 and name ha)      (resid 62 and name ca)
             (resid 62 and name cb)        (resid 62 and name hb2)
     1      180.000     40.0     2
assign (resid 64 and name ha)      (resid 64 and name ca)
             (resid 64 and name cb)        (resid 64 and name cg)
     1      180.000     40.0     2
assign (resid 66 and name ha)      (resid 66 and name ca)
             (resid 66 and name cb)        (resid 66 and name hb2)
     1      180.000     40.0     2
assign (resid 72 and name ha)      (resid 72 and name ca)
             (resid 72 and name cb)        (resid 72 and name hb2)
     1      180.000     40.0     2
assign (resid 74 and name n)       (resid 74 and name ca)
             (resid 74 and name cb)        (resid 74 and name hb)
     1      180.000     40.0     2
assign (resid 76 and name ha)      (resid 76 and name ca)
             (resid 76 and name cb)        (resid 76 and name hb2)
     1      180.000     40.0     2
assign (resid 78 and name ha)      (resid 78 and name ca)
             (resid 78 and name cb)        (resid 78 and name hb2)
     1      180.000     40.0     2
assign (resid 79 and name n)       (resid 79 and name ca)
             (resid 79 and name cb)        (resid 79 and name hb)
     1      180.000     40.0     2
assign (resid 82 and name ha)      (resid 82 and name ca)
             (resid 82 and name cb)        (resid 82 and name hb)
     1      180.000     40.0     2
assign (resid 88 and name ha)      (resid 88 and name ca)
             (resid 88 and name cb)        (resid 88 and name hb)
     1      180.000     40.0     2
assign (resid 89 and name ha)      (resid 89 and name ca)
             (resid 89 and name cb)        (resid 89 and name hb2)
     1      180.000     40.0     2
assign (resid 90 and name ha)      (resid 90 and name ca)
             (resid 90 and name cb)        (resid 90 and name hb)
     1      180.000     40.0     2
assign (resid 91 and name n)       (resid 91 and name ca)
             (resid 91 and name cb)        (resid 91 and name hb2)
     1      180.000     40.0     2
assign (resid 93 and name n)       (resid 93 and name ca)
             (resid 93 and name cb)        (resid 93 and name hb2)
     1      180.000     40.0     2
assign (resid 94 and name n)       (resid 94 and name ca)
             (resid 94 and name cb)        (resid 94 and name hb1)
     1      180.000     40.0     2
assign (resid 95 and name ha)      (resid 95 and name ca)
             (resid 95 and name cb)        (resid 95 and name hb2)
     1      180.000     40.0     2
assign (resid 98 and name ha)      (resid 98 and name ca)
             (resid 98 and name cb)        (resid 98 and name hb)
     1      180.000     40.0     2
assign (resid 99 and name ha)      (resid 99 and name ca)
             (resid 99 and name cb)        (resid 99 and name hb)
     1      180.000     40.0     2
assign (resid 100 and name ha)     (resid 100 and name ca)
             (resid 100 and name cb)       (resid 100 and name hb2)
     1      180.000     40.0     2
assign (resid 101 and name ha)     (resid 101 and name ca)
             (resid 101 and name cb)       (resid 101 and name hb)
     1      180.000     40.0     2
assign (resid 10 and name c)       (resid 11 and name n)
             (resid 11 and name ca)        (resid 11 and name c)
     1      50.000     30.0     2
assign (resid 11 and name n)       (resid 11 and name ca)
             (resid 11 and name c)         (resid 12 and name n)
     1      50.000     30.0     2
assign (resid 18 and name c)       (resid 19 and name n)
             (resid 19 and name ca)        (resid 19 and name c)
     1      -60.000     30.0     2
assign (resid 19 and name n)       (resid 19 and name ca)
             (resid 19 and name c)         (resid 20 and name n)
     1      120.000     30.0     2
assign (resid 19 and name c)       (resid 20 and name n)
             (resid 20 and name ca)        (resid 20 and name c)
     1      90.000     30.0     2
assign (resid 20 and name n)       (resid 20 and name ca)
             (resid 20 and name c)         (resid 21 and name n)
     1      0.000     30.0     2
assign (resid 33 and name c)       (resid 34 and name n)
             (resid 34 and name ca)        (resid 34 and name c)
     1      50.000     30.0     2
assign (resid 34 and name n)       (resid 34 and name ca)
             (resid 34 and name c)         (resid 35 and name n)
     1      50.000     30.0     2
assign (resid 60 and name c)       (resid 61 and name n)
             (resid 61 and name ca)        (resid 61 and name c)
     1      50.000     30.0     2
assign (resid 61 and name n)       (resid 61 and name ca)
             (resid 61 and name c)         (resid 62 and name n)
     1      50.000     30.0     2
assign (resid 79 and name c)       (resid 80 and name n)
             (resid 80 and name ca)        (resid 80 and name c)
     1      -60.000     30.0     2
assign (resid 80 and name n)       (resid 80 and name ca)
             (resid 80 and name c)         (resid 81 and name n)
     1      120.000     30.0     2
assign (resid 80 and name c)       (resid 81 and name n)
             (resid 81 and name ca)        (resid 81 and name c)
     1      90.000     30.0     2
assign (resid 81 and name n)       (resid 81 and name ca)
             (resid 81 and name c)         (resid 82 and name n)
     1      0.000     30.0     2
assign (resid 95 and name c)       (resid 96 and name n)
             (resid 96 and name ca)        (resid 96 and name c)
     1      50.000     30.0     2
assign (resid 96 and name n)       (resid 96 and name ca)
             (resid 96 and name c)         (resid 97 and name n)
     1      50.000     30.0     2

        end
end
#####
 constraints
   dihedral    
!for fe2s2 loops modeled from ADX
     assign (resid 39 and name n)          (resid 39 and name ca)
             (resid 39 and name cb)        (resid 39 and name sg)
     1      92.000     20.0     2
      assign (resid 45 and name n)         (resid 45 and name ca)
             (resid 45 and name cb)        (resid 45 and name sg)
     1      76.000     20.0     2
      assign (resid 48 and name n)         (resid 48 and name ca)
             (resid 48 and name cb)        (resid 48 and name sg)
     1      64.000     20.0     2
      assign (resid 86 and name n)         (resid 86 and name ca)
             (resid 86 and name cb)        (resid 86 and name sg)
     1      67.000     20.0     2
      assign (resid 39 and name ca)        (resid 39 and name cb)
             (resid 39 and name sg)        (resid 106 and name fe1)
     1      -85.000    20.0     2
      assign (resid 45 and name ca)        (resid 45 and name cb)
             (resid 45 and name sg)        (resid 106 and name fe1)
     1      -48.000     20.0     2
      assign (resid 48 and name ca)        (resid 48 and name cb)
             (resid 48 and name sg)        (resid 106 and name fe2)
     1      -134.000     20.0     2
      assign (resid 86 and name ca)        (resid 86 and name cb)
             (resid 86 and name sg)        (resid 106 and name fe2)
     1      -116.000     20.0     2

       assign (resid 37 and name c)        (resid 38 and name n)
             (resid 38 and name ca)        (resid 38 and name c)
     1     -55.000     40.0     2
      assign (resid 38 and name n)         (resid 38 and name ca)
             (resid 38 and name c)         (resid 39 and name n)
     1     -41.000     40.0     2
       assign (resid 38 and name c)        (resid 39 and name n)
             (resid 39 and name ca)        (resid 39 and name c)
     1     -81.000     40.0     2
      assign (resid 39 and name n)         (resid 39 and name ca)
             (resid 39 and name c)         (resid 40 and name n)
     1     4.000     40.0     2
      assign (resid 39 and name c)         (resid 40 and name n)
             (resid 40 and name ca)        (resid 40 and name c)
     1     63.000     40.0     2
      assign (resid 40 and name n)         (resid 40 and name ca)
             (resid 40 and name c)         (resid 41 and name n)
     1     37.000     40.0     2
      assign (resid 40 and name c)         (resid 41 and name n)
             (resid 41 and name ca)        (resid 41 and name c)
     1     77.000     40.0     2
      assign (resid 41 and name n)         (resid 41 and name ca)
             (resid 41 and name c)         (resid 42 and name n)
     1     24.000     40.0     2
      assign (resid 41 and name c)         (resid 42 and name n)
             (resid 42 and name ca)        (resid 42 and name c)
     1     -99.000     40.0     2
      assign (resid 42 and name n)         (resid 42 and name ca)
             (resid 42 and name c)         (resid 43 and name n)
     1     12.000     40.0     2
      assign (resid 42 and name c)         (resid 43 and name n)
             (resid 43 and name ca)        (resid 43 and name c)
     1     61.000     40.0     2
      assign (resid 43 and name n)         (resid 43 and name ca)
             (resid 43 and name c)         (resid 44 and name n)
     1     40.000     40.0     2
      assign (resid 43 and name c)         (resid 44 and name n)
             (resid 44 and name ca)        (resid 44 and name c)
     1     -125.000     40.0     2
      assign (resid 44 and name n)         (resid 44 and name ca)
             (resid 44 and name c)         (resid 45 and name n)
     1     13.000     40.0     2
      assign (resid 44 and name c)         (resid 45 and name n)
             (resid 45 and name ca)        (resid 45 and name c)
     1     -151.000     40.0     2
      assign (resid 45 and name n)         (resid 45 and name ca)
             (resid 45 and name c)         (resid 46 and name n)
     1     -173.000     40.0     2
      assign (resid 45 and name c)         (resid 46 and name n)
             (resid 46 and name ca)        (resid 46 and name c)
     1     -136.000     40.0     2
      assign (resid 46 and name n)         (resid 46 and name ca)
             (resid 46 and name c)         (resid 47 and name n)
     1     28.000     40.0     2
      assign (resid 46 and name c)         (resid 47 and name n)
             (resid 47 and name ca)        (resid 47 and name c)
     1      -73.000     40.0     2
      assign (resid 47 and name n)         (resid 47 and name ca)
             (resid 47 and name c)         (resid 48 and name n)
     1      -14.000     40.0     2
      assign (resid 47 and name c)         (resid 48 and name n)
             (resid 48 and name ca)        (resid 48 and name c)
     1      -96.000     40.0     2
      assign (resid 48 and name n)         (resid 48 and name ca)
             (resid 48 and name c)         (resid 49 and name n)
     1      12.000     40.0     2
      assign (resid 48 and name c)         (resid 49 and name n)
             (resid 49 and name ca)        (resid 49 and name c)
     1      -52.000     40.0     2

     assign (resid 83 and name c)          (resid 84 and name n)
             (resid 84 and name ca)        (resid 84 and name c)
     1      -83.000     40.0     2
      assign (resid 84 and name n)         (resid 84 and name ca)
             (resid 84 and name c)         (resid 85 and name n)
     1      114.000     40.0     2
      assign (resid 84 and name c)         (resid 85 and name n)
             (resid 85 and name ca)        (resid 85 and name c)
     1      -52.000      40.0     2
      assign (resid 85 and name n)         (resid 85 and name ca)
             (resid 85 and name c)         (resid 86 and name n)
     1      -31.000     40.0     2
      assign (resid 85 and name c)         (resid 86 and name n)
             (resid 86 and name ca)        (resid 86 and name c)
     1      -74.000     40.0     2
      assign (resid 86 and name n)         (resid 86 and name ca)
             (resid 86 and name c)         (resid 87 and name n)
     1      -10.000     40.0     2
      assign (resid 86 and name c)         (resid 87 and name n)
             (resid 87 and name ca)        (resid 87 and name c)
     1     -99.000     40.0     2
      assign (resid 87 and name n)         (resid 87 and name ca)
             (resid 87 and name c)         (resid 88 and name n)
     1       -1.000     40.0     2
 end
end
####
!NOE table for oxidized Tdx.
!Table is set up in order of first residue of the constraint,
! all constraints have (N->C).  N,ha,hb1,hb2,hg.... order of restraints.  
!Use sums of van der waals radii (1.8 A) for inner limit.  Use a range of 
!1.8-2.5 A for very strong, 1.8-3.0 A for strong, 1.8-4.0 for medium and 1.8-5.0 for weak NOEs.
!
!Interresidue constraints
!
assign (resid 1 and name ha)
 (resid 2 and name hn)
    2.20     0.40     0.30
assign (resid 1 and name ha)
 (resid 2 and name hb*)
    5.00     2.20     0.30
assign (resid 1 and name hb*)
 (resid 2 and name hn)
    4.00     2.20     0.30
assign (resid 1 and name hg*)
 (resid 2 and name hn)
    4.00     2.20     0.30
assign (resid 1 and name hd1)
 (resid 18 and name ha)
    5.00     3.20     0.30
assign (resid 1 and name hd2)
 (resid 18 and name ha)
    5.00     3.20     0.30
assign (resid 1 and name hd1)
 (resid 19 and name hn)
    5.00     3.20     0.30
assign (resid 1 and name hd2)
 (resid 19 and name hn)
    5.00     3.20     0.30
assign (resid 1 and name hd1)
 (resid 19 and name ha)
    5.00     3.20     0.30
assign (resid 1 and name hd2)
 (resid 19 and name ha)
    5.00     3.20     0.30
assign (resid 1 and name hb1)
 (resid 90 and name hg2*)
    4.00     2.20     0.30
assign (resid 1 and name hb1)
 (resid 90 and name hd1*)
    4.00     2.20     0.30
assign (resid 1 and name hb2)
 (resid 90 and name hg2*)
    4.00     2.20     0.30
assign (resid 1 and name hb2)
 (resid 90 and name hd1*)
    4.00     2.20     0.30
assign (resid 1 and name hg*)
 (resid 90 and name hg2*)
    4.00     2.20     0.30
assign (resid 1 and name hg*)
 (resid 90 and name hd1*)
    4.00     2.20     0.30
assign (resid 1 and name hd1)
 (resid 90 and name hg2*)
    4.00     2.20     0.30
assign (resid 1 and name hd2)
 (resid 90 and name hg2*)
    4.00     2.20     0.30
assign (resid 1 and name hd1)
 (resid 90 and name hd1*)
    4.00     2.20     0.30
assign (resid 1 and name hd2)
 (resid 90 and name hd1*)
    4.00     2.20     0.30
assign (resid 1 and name hb*)
 (resid 95 and name hn)
    4.00     2.20     0.30
assign (resid 1 and name hb*)
 (resid 95 and name hb1)
    4.00     2.20     0.30
assign (resid 1 and name hb*)
 (resid 95 and name hb2)
    4.00     2.20     0.30
assign (resid 1 and name hg*)
 (resid 95 and name hn)
    5.00     3.20     0.30
assign (resid 1 and name hg*)
 (resid 95 and name hb1)
    4.00     2.20     0.30
assign (resid 1 and name hg*)
 (resid 95 and name hb2)
    4.00     2.20     0.30
assign (resid 1 and name hb1)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 1 and name hb2)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 1 and name hg*)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name ha)
(resid 3 and name hn)
    2.20     0.40     0.30
assign (resid 2 and name hb*)
(resid 3 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hg1)
 (resid 3 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hg2)
 (resid 3 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hd*)
(resid 3 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name ha)
(resid 16 and name hb2)
    5.00     3.20     0.30
assign (resid 2 and name ha)
 (resid 17 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hn)
 (resid 95 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name hn)
 (resid 95 and name ha)
    3.00     1.20     0.30
assign (resid 2 and name hn)
 (resid 95 and name hb1)
    5.00     3.20     0.30
assign (resid 2 and name hn)
 (resid 95 and name hb2)
    5.00     3.20     0.30 
assign (resid 2 and name hn)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hb*)
 (resid 96 and name hn)
    4.00     2.20     0.30
assign (resid 2 and name hg1)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name hg2)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 2 and name hn)
 (resid 97 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name ha)
 (resid 4 and name hn)
    2.20     0.40     0.30
assign (resid 3 and name hg1*)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name hg2*)
 (resid 4 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name hb)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name ha)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name hd*)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 5 and name he*)
    4.00     2.20     0.30
assign (resid 3 and name hg2*)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 5 and name he*)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 3 and name hn)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 15 and name hb)
    5.00     3.20     0.30
assign (resid 3 and name hn)
 (resid 15 and name hg1*)
    4.00     2.20     0.30
assign (resid 3 and name hb)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hb)
 (resid 15 and name hg1*)
    3.00     1.20     0.30
assign (resid 3 and name hb)
 (resid 15 and name hg2*)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hb)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 15 and name hg1*)
    4.00     2.20     0.30
assign (resid 3 and name hg2*)
 (resid 15 and name hg1*)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 16 and name ha)
    3.00     1.20     0.30
assign (resid 3 and name hg2*)
 (resid 16 and name ha)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 16 and name ha)
    5.00     3.20     0.30
assign (resid 3 and name hn)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg1*)
 (resid 17 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 17 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg2*)
 (resid 17 and name hb*)
    3.00     1.20     0.30
assign (resid 3 and name hg1*)
 (resid 17 and name hb*)
    4.00     2.20     0.30
assign (resid 3 and name ha)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 96 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name ha)
 (resid 97 and name hn)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 97 and name hn)
    5.00     3.20     0.30
assign (resid 3 and name hg2*)
 (resid 97 and name hn)
    3.00     1.20     0.30
assign (resid 3 and name hg2*)
 (resid 97 and name ha)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 98 and name ha)
    4.00     2.20     0.30
assign (resid 3 and name hg1*)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hn)
 (resid 5 and name hd*)
    5.00     3.20     0.30
assign (resid 4 and name ha)
 (resid 5 and name hn)
    2.20     0.40     0.30
assign (resid 4 and name ha)
 (resid 5 and name hd*)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 5 and name hn)
    3.00     1.20     0.30
assign (resid 4 and name hg2*)
 (resid 5 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 5 and name ha)
    5.00     3.20     0.30
assign (resid 4 and name ha)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name ha)
 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name ha)
 (resid 14 and name hb*)
    4.00     2.20     0.30
assign (resid 4 and name hb)
 (resid 14 and name ha)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 14 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hg2*)
 (resid 14 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hg1*)
 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hg2*)
 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hg1*)
 (resid 14 and name hb*)
    4.00     2.20     0.30
assign (resid 4 and name hg2*)
 (resid 14 and name hb*)
    4.00     2.20     0.30
assign (resid 4 and name ha)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hg2*)
 (resid 15 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hn)
 (resid 97 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hn)
 (resid 98 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hn)
 (resid 98 and name hb*)
    5.00     2.20     0.30
assign (resid 4 and name hb)
 (resid 98 and name ha)
    3.00     1.20     0.30
assign (resid 4 and name hn)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 4 and name hn)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 4 and name hb)
 (resid 99 and name hn)
    4.00     2.20     0.30
assign (resid 4 and name hg1*)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name ha)
 (resid 6 and name hn)
    2.20     0.40     0.30
assign (resid 5 and name ha)
 (resid 6 and name hb)
    5.00     3.20     0.30
assign (resid 5 and name ha)
 (resid 6 and name hd1*)
    5.00     3.20     0.30
assign (resid 5 and name hb1)
 (resid 6 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hb2)
 (resid 6 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hb1)
 (resid 6 and name hg1*)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 6 and name hg1*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 6 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 12 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 13 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 13 and name hb1)
    5.00     3.20     0.30
assign (resid 5 and name hn)
(resid 13 and name hb2)
    4.00     2.20     0.30
assign (resid 5 and name ha)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hb1)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hb2)
 (resid 13 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hb2)
 (resid 13 and name hb1)
    4.00     2.20     0.30
assign (resid 5 and name hb1)
 (resid 13 and name hb2)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 14 and name ha)
    3.00     1.20     0.30
assign (resid 5 and name hd*)
 (resid 14 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 15 and name hg1*)
    3.00     1.20     0.30
assign (resid 5 and name he*)
 (resid 15 and name hg1*)
    3.00     1.20     0.30
assign (resid 5 and name hd*)
 (resid 23 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 23 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 23 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 23 and name hb*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 23 and name hg)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 23 and name hg)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 26 and name hb)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 26 and name hb)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 26 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 26 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 27 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name hn)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 27 and name ha)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name ha)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 27 and name hb*)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 27 and name hb*)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 32 and name hb)
    5.00     3.20     0.30
assign (resid 5 and name he*)
 (resid 32 and name hb)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 32 and name hg1*)
    4.00     2.20     0.30
assign (resid 5 and name hd*)
 (resid 32 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 32 and name hg1*)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 32 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 5 and name hn)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name ha)
 (resid 99 and name hn)
    3.00     1.20     0.30
assign (resid 5 and name ha)
 (resid 99 and name hb)
    3.00     1.20     0.30
assign (resid 5 and name ha)
 (resid 99 and name hg1*)
    4.00     2.20     0.30
assign (resid 5 and name ha)
 (resid 99 and name hg2*)
    4.00     2.20     0.30
assign (resid 5 and name hb1)
 (resid 99 and name hg2*)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name ha)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name hb)
    4.00     2.20     0.30
assign (resid 5 and name he*)
 (resid 99 and name hb)
    5.00     3.20     0.30
assign (resid 5 and name hd*)
 (resid 99 and name hg2*)
    3.00     1.20     0.30
assign (resid 5 and name he*)
 (resid 99 and name hg2*)
    3.00     1.20     0.30
assign (resid 6 and name ha)
 (resid 7 and name hn)
    2.20     0.40     0.30
assign (resid 6 and name hb)
 (resid 7 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hb)
 (resid 7 and name hb*)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 7 and name hn)
    3.00     1.20     0.30
assign (resid 6 and name hg2*)
 (resid 7 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name ha)
 (resid 12 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name ha)
 (resid 12 and name hb*)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 12 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 12 and name ha)
    4.00     2.20     0.30
assign (resid 6 and name hd1*)
 (resid 12 and name ha)
    4.00     2.20     0.30
assign (resid 6 and name ha)
 (resid 13 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg1*)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 13 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hd1*)
 (resid 13 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hb)
    5.00     3.20     0.30
assign (resid 6 and name hn)
 (resid 99 and name hg1*)
    5.00     3.20     0.30
assign (resid 6 and name hd1*)
 (resid 99 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hn)
 (resid 100 and name ha)
    3.00     1.20     0.30
assign (resid 6 and name hb)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hg1*)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hg2*)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hd1*)
 (resid 100 and name ha)
    5.00     3.20     0.30
assign (resid 6 and name hn)
 (resid 101 and name hn)
    5.00     3.20     0.30
assign (resid 6 and name hb)
 (resid 101 and name hn)
    4.00     2.20     0.30
assign (resid 6 and name hg2*)
 (resid 101 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 8 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name ha)
 (resid 8 and name hn)
    3.00     1.20     0.30
assign (resid 7 and name ha)
 (resid 8 and name ha)
    5.00     3.20     0.30
assign (resid 7 and name ha)
 (resid 8 and name hb1)
    5.00     3.20     0.30
assign (resid 7 and name ha)
 (resid 8 and name hb2)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 8 and name hn)
    3.00     1.20     0.30
assign (resid 7 and name hn)
 (resid 9 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name ha)
 (resid 9 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 9 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hb*)
 (resid 9 and name hb*)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 10 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hb*)
 (resid 10 and name hb*)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 11 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hn)
 (resid 11 and name ha*)
    4.00     2.20     0.30
assign (resid 7 and name ha)
 (resid 11 and name hn)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 11 and name hn)
    4.00     2.20     0.30
assign (resid 7 and name hn)
 (resid 12 and name ha)
    4.00     2.20     0.30
assign (resid 7 and name hn)
 (resid 12 and name hb*)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 13 and name hd*)
    5.00     3.20     0.30
assign (resid 7 and name hn)
 (resid 13 and name he*)
    5.00     3.20     0.30
assign (resid 7 and name ha)
 (resid 13 and name he*)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 13 and name hd*)
    5.00     3.20     0.30
assign (resid 7 and name hb*)
 (resid 13 and name he*)
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 (resid 105 and name hn)
    2.20     0.40     0.30
assign (resid 104 and name hd*)
 (resid 105 and name hn)
    5.00     3.20     0.30

!constraints for line broadening for paramagnetic peaks

assign (resid 67 and name ha) (resid 106 and name FE1) 8 3 3
assign (resid 67 and name ha) (resid 106 and name FE2) 8 3 3
assign (resid 70 and name hd1*) (resid 106 and name FE1) 8 3 3
assign (resid 70 and name hd1*) (resid 106 and name FE2) 8 3 3
assign (resid 70 and name hd2*) (resid 106 and name FE1) 8 3 3
assign (resid 70 and name hd2*) (resid 106 and name FE2) 8 3 3
assign (resid 71 and name hd1*) (resid 106 and name FE1) 8 3 3
assign (resid 71 and name hd1*) (resid 106 and name FE2) 8 3 3
assign (resid 71 and name hd2*) (resid 106 and name FE1) 8 3 3
assign (resid 71 and name hd2*) (resid 106 and name FE2) 8 3 3
assign (resid 24 and name hn) (resid 106 and name FE1) 8 3 3
assign (resid 24 and name hn) (resid 106 and name FE2) 8 3 3
assign (resid 24 and name he*) (resid 106 and name FE1) 8 3 3
assign (resid 24 and name he*) (resid 106 and name FE2) 8 3 3
assign (resid 25 and name hn) (resid 106 and name FE1) 8 3 3
assign (resid 25 and name hn) (resid 106 and name FE2) 8 3 3

!Constraints for metal center modeling modeled from ADX

assign (resid 39 and name ca)
 (resid 45 and name ca)
    6.0    0.70     0.70
assign (resid 45 and name ca)
 (resid 48 and name ca)
    7.7     0.70     0.70
assign (resid 48 and name ca)
 (resid 86 and name ca)
    6.3     0.70     0.70
assign (resid 86 and name ca)
 (resid 39 and name ca)
    9.6     0.70     0.70
assign (resid 39 and name ca)
 (resid 48 and name ca)
    8.9     0.70     0.70
assign (resid 45 and name ca)
 (resid 86 and name ca)
    10.1     0.70     0.70 
######
!intraresidue noe of oxidized TDX
! 1.8-3.3, 1.8-4.3 and 1.8-5.3A
!correspond to strong, medium and weak noe

assign (resid 2 and name hn)
 (resid 2 and name hb*)
    3.00     1.20     0.30
assign (resid 2 and name hn)
 (resid 2 and name hg1)
    5.00     3.20     0.30
assign (resid 2 and name hn)
 (resid 2 and name hg2)
    5.00     3.20     0.30
assign (resid 2 and name hn)
 (resid 2 and name hd*)
    5.00     3.20     0.30
assign (resid 3 and name hn)
 (resid 3 and name hb)
    3.00     1.20     0.30
assign (resid 3 and name hn)
 (resid 3 and name hg2*)
    4.00     2.20     0.30
assign (resid 3 and name hn)
 (resid 3 and name hg1*)
    5.00     3.20     0.30
assign (resid 3 and name ha)
 (resid 3 and name hg2*)
    3.00     1.20     0.30
assign (resid 3 and name ha)
 (resid 3 and name hg1*)
    3.00     1.20     0.30
assign (resid 4 and name hn)
 (resid 4 and name hb)
    3.00     1.20     0.30
assign (resid 4 and name hn)
 (resid 4 and name hg2*)
    4.00     2.20     0.30
assign (resid 4 and name hn)
 (resid 4 and name hg1*)
    5.00     3.20     0.30
assign (resid 4 and name ha)
 (resid 4 and name hg2*)
    3.00     1.20     0.30
assign (resid 4 and name ha)
 (resid 4 and name hg1*)
    3.00     1.20     0.30
assign (resid 5 and name hn)
 (resid 5 and name hb2)
    3.00     1.20     0.30
assign (resid 5 and name hn)
 (resid 5 and name hb1)
    4.00     2.20     0.30
assign (resid 5 and name hn)
 (resid 5 and name hd*)
    3.00     1.20     0.30
assign (resid 5 and name hn)
 (resid 5 and name he*)
    5.00     3.20     0.30
assign (resid 5 and name ha)
 (resid 5 and name hd*)
    3.00     1.20     0.30
assign (resid 5 and name ha)
 (resid 5 and name he*)
    5.00     3.20     0.30
assign (resid 6 and name hn)
 (resid 6 and name hb)
    3.00     1.20     0.30
assign (resid 6 and name hn)
 (resid 6 and name hg11)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 6 and name hg12)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 6 and name hg2*)
    4.00     2.20     0.30
assign (resid 6 and name hn)
 (resid 6 and name hd1*)
    4.00     2.20     0.30
assign (resid 6 and name ha)
 (resid 6 and name hg1*)
    3.00     1.20     0.30
assign (resid 6 and name ha)
 (resid 6 and name hg2*)
    3.00     1.20     0.30
assign (resid 6 and name ha)
 (resid 6 and name hd1*)
    4.00     2.20     0.30
assign (resid 6 and name hb)
 (resid 6 and name hd1*)
    4.00     2.20     0.30
assign (resid 7 and name hn)
 (resid 7 and name hb*)
    3.00     1.20     0.30
assign (resid 8 and name hn)
 (resid 8 and name hb1)
    3.00     1.20     0.30
assign (resid 8 and name hn)
 (resid 8 and name hg1)
    4.00     2.20     0.30
assign (resid 8 and name hn)
 (resid 8 and name hg2)
    4.00     2.20     0.30
assign (resid 8 and name ha)
 (resid 8 and name hg1)
    4.00     2.20     0.30
assign (resid 8 and name ha)
 (resid 8 and name hg2)
    4.00     2.20     0.30
assign (resid 9 and name hn)
 (resid 9 and name hb2)
    3.00     1.20     0.30
assign (resid 9 and name hn)
 (resid 9 and name hb1)
    4.00     2.20     0.30
assign (resid 10 and name hn)
 (resid 10 and name hb2)
    4.00     2.20     0.30
assign (resid 10 and name hn)
 (resid 10 and name hb1)
    3.00     1.20     0.30
assign (resid 13 and name hn)
 (resid 13 and name hb1)
    4.00     2.20     0.30
assign (resid 13 and name hn)
 (resid 13 and name hb2)
    3.00     1.20     0.30
assign (resid 13 and name hn)
 (resid 13 and name hd*)
    3.00     1.20     0.30
assign (resid 13 and name ha)
 (resid 13 and name hd*)
    3.00     1.20     0.30
assign (resid 13 and name ha)
 (resid 13 and name he*)
    5.00     3.20     0.30
assign (resid 15 and name hn)
 (resid 15 and name hb)
    4.00     2.20     0.30
assign (resid 15 and name hn)
 (resid 15 and name hg1*)
    3.00     1.20     0.30
assign (resid 15 and name ha)
 (resid 15 and name hg2*)
    3.00     1.20     0.30
assign (resid 16 and name hn)
 (resid 16 and name hb2)
    3.00     1.20     0.30
assign (resid 18 and name hn)
 (resid 18 and name hb2)
    3.00     1.20     0.30
assign (resid 18 and name hn)
 (resid 18 and name hg*)
    3.00     1.20     0.30
assign (resid 18 and name ha)
 (resid 18 and name hg*)
    3.00     1.20     0.30
assign (resid 19 and name hn)
 (resid 19 and name hb1)
    4.00     2.20     0.30
assign (resid 19 and name hn)
 (resid 19 and name hb2)
    3.00     1.20     0.30
assign (resid 21 and name hn)
 (resid 21 and name hb*)
    3.00     1.20     0.30
assign (resid 21 and name hn)
 (resid 21 and name hg*)
    3.00     1.20     0.30
assign (resid 21 and name hn)
 (resid 21 and name he22)
    5.00     3.20     0.30
assign (resid 21 and name ha)
 (resid 21 and name hg1)
    3.00     1.20     0.30
assign (resid 21 and name ha)
 (resid 21 and name hg2)
    3.00     1.20     0.30
assign (resid 21 and name hb*)
 (resid 21 and name he21)
    4.00     2.20     0.30
assign (resid 21 and name hb*)
 (resid 21 and name he22)
    5.00     3.20     0.30
assign (resid 21 and name hg1)
 (resid 21 and name he21)
    3.00     1.20     0.30
assign (resid 21 and name hg2)
 (resid 21 and name he21)
    3.00     1.20     0.30
assign (resid 21 and name hg1)
 (resid 21 and name he22)
    4.00     2.20     0.30
assign (resid 21 and name hg2)
 (resid 21 and name he22)
    4.00     2.20     0.30
assign (resid 22 and name hn)
 (resid 22 and name hb1)
    3.00     2.20     0.30
assign (resid 22 and name hn)
 (resid 22 and name hb2)
    4.00     2.20     0.30
assign (resid 22 and name hn)
 (resid 22 and name og)
    5.00     3.20     0.30
assign (resid 26 and name hn)
 (resid 26 and name hb)
    3.00     1.20     0.30
assign (resid 26 and name hn)
 (resid 26 and name hg2*)
    3.00     1.20     0.30
assign (resid 26 and name hn)
 (resid 26 and name hg1*)
    4.00     2.20     0.30
assign (resid 26 and name ha)
 (resid 26 and name hg1*)
    3.00     1.20     0.30
assign (resid 26 and name ha)
 (resid 26 and name hg2*)
    3.00     1.20     0.30
assign (resid 28 and name hn)
 (resid 28 and name hg2*)
    3.00     1.20     0.30
assign (resid 29 and name hn)
 (resid 29 and name hg*)
    3.00     1.20     0.30
assign (resid 29 and name hn)
 (resid 29 and name he21)
    5.00     3.20     0.30
assign (resid 29 and name ha)
 (resid 29 and name hg*)
    3.00     1.20     0.30
assign (resid 30 and name hn)
 (resid 30 and name hb2)
    3.00     1.20     0.30
assign (resid 30 and name hn)
 (resid 30 and name hb1)
    4.00     2.20     0.30
assign (resid 30 and name hn)
 (resid 30 and name hd21)
    4.00     2.20     0.30
assign (resid 30 and name hn)
 (resid 30 and name hd22)
    4.00     2.20     0.30
assign (resid 32 and name hn)
 (resid 32 and name hb)
    3.00     1.20     0.30
assign (resid 32 and name hn)
 (resid 32 and name hg2*)
    3.00     1.20     0.30
assign (resid 32 and name hn)
 (resid 32 and name hg1*)
    4.00     2.20     0.30
assign (resid 32 and name ha)
 (resid 32 and name hg1*)
    3.00     1.20     0.30
assign (resid 32 and name ha)
 (resid 32 and name hg2*)
    3.00     1.20     0.30
assign (resid 35 and name hn)
 (resid 35 and name hb)
    3.00     1.20     0.30
assign (resid 50 and name hn)
 (resid 50 and name hb)
    3.00     1.20     0.30
assign (resid 51 and name hn)
 (resid 51 and name hb1)
    4.00     2.20     0.30
assign (resid 51 and name hn)
 (resid 51 and name hb2)
    3.00     1.20     0.30
assign (resid 51 and name hn)
 (resid 51 and name hg*)
    4.00     2.20     0.30
assign (resid 52 and name hn)
 (resid 52 and name hb)
    3.00     1.20     0.30
assign (resid 52 and name hn)
 (resid 52 and name hg1*)
    3.00     1.20     0.30
assign (resid 52 and name hn)
 (resid 52 and name hd1*)
    4.00     2.20     0.30
assign (resid 52 and name ha)
 (resid 52 and name hg11)
    4.00     2.20     0.30
assign (resid 52 and name ha)
 (resid 52 and name hg12)
    4.00     2.20     0.30
assign (resid 52 and name ha)
 (resid 52 and name hg2*)
    3.00     1.20     0.30
assign (resid 53 and name hn)
 (resid 53 and name hb1)
    3.00     1.20     0.30
assign (resid 53 and name hn)
 (resid 53 and name hb2)
    4.00     2.20     0.30
assign (resid 56 and name hn)
 (resid 56 and name hb2)
    3.00     1.20     0.30
assign (resid 56 and name hn)
 (resid 56 and name hb1)
    4.00     2.20     0.30
assign (resid 56 and name hn)
 (resid 56 and name hd1)
    4.00     2.20     0.30
assign (resid 56 and name hn)
 (resid 56 and name he1)
    5.00     3.20     0.30
assign (resid 56 and name hb1)
 (resid 56 and name hd1)
    5.00     3.20     0.30
assign (resid 56 and name hb2)
 (resid 56 and name hd1)
    3.00     1.20     0.30
assign (resid 56 and name hb1)
 (resid 56 and name he1)
    5.00     3.20     0.30
assign (resid 56 and name hb2)
 (resid 56 and name he1)
    5.00     3.20     0.30
assign (resid 57 and name hn)
 (resid 57 and name hg2*)
    3.00     1.20     0.30
assign (resid 57 and name hn)
 (resid 57 and name hg1*)
    4.00     2.20     0.30
assign (resid 57 and name hn)
 (resid 57 and name hb)
    3.00     1.20     0.30
assign (resid 57 and name ha)
 (resid 57 and name hg1*)
    3.00     1.20     0.30
assign (resid 57 and name ha)
 (resid 57 and name hg2*)
    3.00     1.20     0.30
assign (resid 58 and name hn)
 (resid 58 and name hb*)
    3.00     1.20     0.30
assign (resid 58 and name hn)
 (resid 58 and name hg*)
    5.00     3.20     0.30
assign (resid 59 and name hn)
 (resid 59 and name hb)
    3.00     1.20     0.30
assign (resid 59 and name hn)
 (resid 59 and name hg11)
    4.00     2.20     0.30
assign (resid 59 and name hn)
 (resid 59 and name hg12)
    4.00     2.20     0.30
assign (resid 59 and name hn)
 (resid 59 and name hd1*)
    4.00     2.20     0.30
assign (resid 59 and name ha)
 (resid 59 and name hg11)
    4.00     2.20     0.30
assign (resid 59 and name ha)
 (resid 59 and name hg12)
    4.00     2.20     0.30
assign (resid 59 and name ha)
 (resid 59 and name hg2*)
    4.00     2.20     0.30
assign (resid 59 and name ha)
 (resid 59 and name hd1*)
    4.00     2.20     0.30
assign (resid 60 and name hn)
 (resid 60 and name hb)
    3.00     1.20     0.30
assign (resid 60 and name hn)
 (resid 60 and name hg2*)
    3.00     1.20     0.30
assign (resid 60 and name ha)
 (resid 60 and name hg2*)
    3.00     1.20     0.30
assign (resid 60 and name ha)
 (resid 60 and name hg1*)
    3.00     1.20     0.30
assign (resid 62 and name hn)
 (resid 62 and name hb2)
    3.00     1.20     0.30
assign (resid 62 and name hn)
 (resid 62 and name hb1)
    4.00     2.20     0.30
assign (resid 62 and name hn)
 (resid 62 and name hg*)
    3.00     1.20     0.30
assign (resid 64 and name hn)
 (resid 64 and name hb1)
    4.00     2.20     0.30
assign (resid 64 and name hn)
 (resid 64 and name hb2)
    4.00     2.20     0.30
assign (resid 64 and name hd21)
 (resid 64 and name hn)
    5.00     3.20     0.30
assign (resid 64 and name hd22)
 (resid 64 and name hn)
    5.00     3.20     0.30
assign (resid 64 and name hd21)
 (resid 64 and name hb1)
    4.00     2.20     0.30
assign (resid 64 and name hd21)
 (resid 64 and name hb2)
    4.00     2.20     0.30
assign (resid 66 and name hn)
 (resid 66 and name hb1)
    4.00     2.20     0.30
assign (resid 66 and name hn)
 (resid 66 and name hb2)
    4.00     2.20     0.30
assign (resid 68 and name hn)
 (resid 68 and name hb1)
    3.00     1.20     0.30
assign (resid 68 and name hn)
 (resid 68 and name hb2)
    3.00     1.20     0.30
assign (resid 68 and name hd21)
 (resid 68 and name hb*)
    3.00     1.20     0.30
assign (resid 68 and name hd21)
 (resid 68 and name hb1)
    4.00     2.20     0.30
assign (resid 68 and name hd21)
 (resid 68 and name hb2)
    4.00     2.20     0.30
assign (resid 69 and name hn)
 (resid 69 and name hb*)
    3.00     1.20     0.30
assign (resid 72 and name hn)
 (resid 72 and name hb1)
    4.00     2.20     0.30
assign (resid 72 and name hn)
 (resid 72 and name hb2)
    3.00     1.20     0.30
assign (resid 72 and name hn)
 (resid 72 and name hg1)
    4.00     2.20     0.30
assign (resid 72 and name hn)
 (resid 72 and name hg2)
    4.00     2.20     0.30
assign (resid 72 and name hn)
 (resid 72 and name he21)
    5.00     3.20     0.30
assign (resid 72 and name ha)
 (resid 72 and name he21)
    5.00     3.20     0.30
assign (resid 72 and name ha)
 (resid 72 and name he22)
    5.00     3.20     0.30
assign (resid 72 and name hb1)
 (resid 72 and name he22)
    5.00     3.20     0.30
assign (resid 72 and name hb2)
 (resid 72 and name he22)
    5.00     3.20     0.30
assign (resid 73 and name hn)
 (resid 73 and name hb1)
    3.00     1.20     0.30
assign (resid 73 and name hn)
 (resid 73 and name hb2)
    4.00     2.20     0.30
assign (resid 74 and name hn)
 (resid 74 and name hg2*)
    4.00     2.20     0.30
assign (resid 74 and name ha)
 (resid 74 and name hg2*)
    3.00     1.20     0.30
assign (resid 76 and name hn)
 (resid 76 and name hb2)
    3.00     1.20     0.30
assign (resid 76 and name hn)
 (resid 76 and name hb1)
    4.00     2.20     0.30
assign (resid 76 and name hn)
 (resid 76 and name hg1)
    4.00     2.20     0.30
assign (resid 76 and name hn)
 (resid 76 and name hg2)
    4.00     2.20     0.30
assign (resid 76 and name ha)
 (resid 76 and name hg*)
    3.00     1.20     0.30
assign (resid 78 and name hn)
 (resid 78 and name hb1)
    4.00     2.20     0.30
assign (resid 78 and name hn)
 (resid 78 and name hb2)
    3.00     1.20     0.30
assign (resid 78 and name hn)
 (resid 78 and name hg*)
    4.00     2.20     0.30
assign (resid 79 and name hn)
 (resid 79 and name hg2*)
    4.00     2.20     0.30
assign (resid 79 and name ha)
 (resid 79 and name hg2*)
    3.00     1.20     0.30
assign (resid 82 and name hn)
 (resid 82 and name hg2*)
    4.00     2.20     0.30
assign (resid 82 and name ha)
 (resid 82 and name hg2*)
    3.00     1.20     0.30
assign (resid 88 and name hn)
 (resid 88 and name hb)
    3.00     1.20     0.30
assign (resid 88 and name hn)
 (resid 88 and name hg2*)
    3.00     1.20     0.30
assign (resid 88 and name hn)
 (resid 88 and name hg1*)
    4.00     2.20     0.30
assign (resid 88 and name ha)
 (resid 88 and name hg1*)
    3.00     1.20     0.30
assign (resid 88 and name ha)
 (resid 88 and name hg2*)
    3.00     1.20     0.30
assign (resid 89 and name hn)
 (resid 89 and name hb2)
    3.00     1.20     0.30
assign (resid 89 and name hn)
 (resid 89 and name hb1)
    4.00     2.20     0.30
assign (resid 89 and name hn)
 (resid 89 and name hd*)
    3.00     1.20     0.30
assign (resid 89 and name hn)
 (resid 89 and name he*)
    5.00    3.20     0.30
assign (resid 89 and name ha)
 (resid 89 and name hd*)
    4.00     4.60     0.30
assign (resid 90 and name hn)
 (resid 90 and name hb)
    3.00     1.20     0.30
assign (resid 90 and name hn)
 (resid 90 and name hg11)
    3.00     1.20     0.30
assign (resid 90 and name hn)
 (resid 90 and name hg12)
    3.00     1.20     0.30
assign (resid 90 and name hn)
 (resid 90 and name hg2*)
    4.00     2.20     0.30
assign (resid 90 and name hn)
 (resid 90 and name hd1*)
    4.00     2.20     0.30
assign (resid 90 and name ha)
 (resid 90 and name hg1*)
    4.00     2.20     0.30
assign (resid 90 and name ha)
 (resid 90 and name hg2*)
    3.00     1.20     0.30
assign (resid 90 and name ha)
 (resid 90 and name hd1*)
    3.00     1.20     0.30
assign (resid 91 and name hn)
 (resid 91 and name hb1)
    3.00     1.20     0.30
assign (resid 93 and name hn)
 (resid 93 and name hb1)
    3.00     1.20     0.30
assign (resid 93 and name hn)
 (resid 93 and name hb2)
    4.00     2.20     0.30
assign (resid 94 and name hn)
 (resid 94 and name hb2)
    3.00     1.20     0.30
assign (resid 94 and name hn)
 (resid 94 and name hb1)
    4.00     2.20     0.30
assign (resid 94 and name hn)
 (resid 94 and name hg1)
    4.00     2.20     0.30
assign (resid 94 and name hn)
 (resid 94 and name hg2)
    4.00     2.20     0.30
assign (resid 94 and name ha)
 (resid 94 and name hg1)
    3.00     1.20     0.30
assign (resid 94 and name ha)
 (resid 94 and name hg2)
    3.00     1.20     0.30
assign (resid 95 and name hn)
 (resid 95 and name hb1)
    4.00     2.20     0.30
assign (resid 95 and name hn)
 (resid 95 and name hb2)
    3.00     1.20     0.30
assign (resid 99 and name hn)
 (resid 99 and name hb)
    3.00     1.20     0.30
assign (resid 99 and name hn)
 (resid 99 and name hg2*)
    3.00     1.20     0.30
assign (resid 99 and name ha)
 (resid 99 and name hg1*)
    3.00     1.20     0.30
assign (resid 99 and name ha)
 (resid 99 and name hg2*)
    3.00     1.20     0.30
assign (resid 100 and name hn)
 (resid 100 and name hb1)
    4.00     2.20     0.30
assign (resid 100 and name hn)
 (resid 100 and name hb2)
    3.00     1.20     0.30
assign (resid 100 and name hn)
 (resid 100 and name hg1)
    5.00     3.20     0.30
assign (resid 100 and name hn)
 (resid 100 and name hg2)
    5.00     3.20     0.30
assign (resid 100 and name hn)
 (resid 100 and name hd*)
    5.00     3.20     0.30
assign (resid 100 and name ha)
 (resid 100 and name hg1)
    4.00     2.20     0.30
assign (resid 100 and name ha)
 (resid 100 and name hg2)
    4.00     2.20     0.30
assign (resid 100 and name hb1)
 (resid 100 and name hd1)
    4.00     2.20     0.30
assign (resid 100 and name hb1)
 (resid 100 and name hd2)
    4.00     2.20     0.30
assign (resid 100 and name hb2)
 (resid 100 and name hd1)
    4.00     2.20     0.30
assign (resid 100 and name hb2)
 (resid 100 and name hd2)
    4.00     2.20     0.30
assign (resid 101 and name hn)
 (resid 101 and name hb)
    3.00     1.20     0.30
assign (resid 101 and name hn)
 (resid 101 and name hg2*)
    3.00     1.20     0.30
assign (resid 101 and name ha)
 (resid 101 and name hg1*)
    3.00     1.20     0.30
assign (resid 101 and name ha)
 (resid 101 and name hg2*)
    3.00     1.20     0.30
assign (resid 103 and name hn)
 (resid 103 and name hb*)
    3.00     1.20     0.30
assign (resid 103 and name hn)
 (resid 103 and name hg)
    4.00     2.20     0.30
######
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   2H    PRO   1          2H        PRO   1   4.198  15.038  -5.250
    2   1H    PRO   1          1H        PRO   1   4.941  13.585  -5.489
    3    HA   PRO   1           HA       PRO   1   4.741  15.066  -3.249
    4   1HB   PRO   1          1HB       PRO   1   3.784  12.327  -2.633
    5   2HB   PRO   1          2HB       PRO   1   3.470  13.835  -1.807
    6   1HG   PRO   1          1HG       PRO   1   1.596  12.880  -3.272
    7   2HG   PRO   1          2HG       PRO   1   2.009  14.595  -3.466
    8   1HD   PRO   1          1HD       PRO   1   2.991  12.260  -5.117
    9   2HD   PRO   1          2HD       PRO   1   2.167  13.713  -5.685
   10    H    ARG   2           H        ARG   2   5.483  13.339  -1.426
   11    HA   ARG   2           HA       ARG   2   7.939  12.064  -2.493
   12   1HB   ARG   2          1HB       ARG   2   8.592  13.892  -1.102
   13   2HB   ARG   2          2HB       ARG   2   7.375  13.500   0.103
   14   1HG   ARG   2          1HG       ARG   2   9.445  11.462  -0.458
   15   2HG   ARG   2          2HG       ARG   2   9.917  12.916   0.406
   16   1HD   ARG   2          1HD       ARG   2   7.872  12.435   1.894
   17   2HD   ARG   2          2HD       ARG   2   7.966  10.810   1.215
   18    HE   ARG   2           HE       ARG   2  10.488  11.256   2.061
   19   1HH1  ARG   2          1HH1      ARG   2   7.379  11.570   3.597
   20   2HH1  ARG   2          2HH1      ARG   2   7.982  11.210   5.180
   21   1HH2  ARG   2          1HH2      ARG   2  11.291  10.788   4.140
   22   2HH2  ARG   2          2HH2      ARG   2  10.205  10.767   5.489
   23    H    VAL   3           H        VAL   3   8.560   9.980  -1.244
   24    HA   VAL   3           HA       VAL   3   6.406   9.010   0.403
   25    HB   VAL   3           HB       VAL   3   6.666   8.305  -2.419
   26   1HG1  VAL   3          1HG1      VAL   3   7.438   6.230  -1.090
   27   2HG1  VAL   3          2HG1      VAL   3   5.736   6.119  -0.646
   28   3HG1  VAL   3          3HG1      VAL   3   6.210   6.101  -2.354
   29   1HG2  VAL   3          1HG2      VAL   3   4.705   8.808  -0.393
   30   2HG2  VAL   3          2HG2      VAL   3   4.601   8.987  -2.149
   31   3HG2  VAL   3          3HG2      VAL   3   4.304   7.415  -1.400
   32    H    VAL   4           H        VAL   4   6.754   6.736   1.083
   33    HA   VAL   4           HA       VAL   4   9.485   5.842   0.969
   34    HB   VAL   4           HB       VAL   4   8.395   6.977   3.514
   35   1HG1  VAL   4          1HG1      VAL   4   9.939   4.527   3.198
   36   2HG1  VAL   4          2HG1      VAL   4  10.774   5.731   4.184
   37   3HG1  VAL   4          3HG1      VAL   4   9.157   5.189   4.637
   38   1HG2  VAL   4          1HG2      VAL   4  10.723   7.342   1.721
   39   2HG2  VAL   4          2HG2      VAL   4   9.762   8.547   2.584
   40   3HG2  VAL   4          3HG2      VAL   4  10.979   7.604   3.447
   41    H    PHE   5           H        PHE   5   9.244   3.911   0.451
   42    HA   PHE   5           HA       PHE   5   7.051   2.247   1.440
   43   1HB   PHE   5          1HB       PHE   5   9.207   1.937  -0.623
   44   2HB   PHE   5          2HB       PHE   5   8.221   0.578  -0.123
   45    HD1  PHE   5           HD1      PHE   5   6.837   4.026  -0.550
   46    HD2  PHE   5           HD2      PHE   5   7.350   0.143  -2.205
   47    HE1  PHE   5           HE1      PHE   5   5.281   4.577  -2.351
   48    HE2  PHE   5           HE2      PHE   5   5.779   0.665  -3.964
   49    HZ   PHE   5           HZ       PHE   5   4.713   2.882  -4.056
   50    H    ILE   6           H        ILE   6   7.738  -0.060   1.940
   51    HA   ILE   6           HA       ILE   6  10.301  -0.397   3.194
   52    HB   ILE   6           HB       ILE   6   7.872  -1.050   4.803
   53   1HG1  ILE   6          1HG1      ILE   6   7.921   1.409   4.126
   54   2HG1  ILE   6          2HG1      ILE   6   7.889   1.082   5.854
   55   1HG2  ILE   6          1HG2      ILE   6  10.792  -0.798   5.180
   56   2HG2  ILE   6          2HG2      ILE   6   9.733  -0.520   6.563
   57   3HG2  ILE   6          3HG2      ILE   6   9.692  -2.064   5.710
   58   1HD1  ILE   6          1HD1      ILE   6  10.577   1.265   4.849
   59   2HD1  ILE   6          2HD1      ILE   6   9.642   2.715   4.496
   60   3HD1  ILE   6          3HD1      ILE   6   9.800   2.149   6.160
   61    H    ASP   7           H        ASP   7  10.590  -2.704   3.886
   62    HA   ASP   7           HA       ASP   7   8.713  -4.676   3.163
   63   1HB   ASP   7          1HB       ASP   7   9.026  -4.442   0.926
   64   2HB   ASP   7          2HB       ASP   7  10.664  -3.836   1.095
   65    H    GLU   8           H        GLU   8   9.770  -6.867   3.051
   66    HA   GLU   8           HA       GLU   8  11.547  -7.058   5.335
   67   1HB   GLU   8          1HB       GLU   8   9.343  -8.490   4.509
   68   2HB   GLU   8          2HB       GLU   8  10.678  -9.568   4.138
   69   1HG   GLU   8          1HG       GLU   8  10.785  -8.311   6.789
   70   2HG   GLU   8          2HG       GLU   8   9.441  -9.422   6.531
   71    H    GLN   9           H        GLN   9  12.327  -6.508   2.346
   72    HA   GLN   9           HA       GLN   9  14.455  -8.541   2.231
   73   1HB   GLN   9          1HB       GLN   9  13.398  -6.863  -0.055
   74   2HB   GLN   9          2HB       GLN   9  14.607  -8.131  -0.163
   75   1HG   GLN   9          1HG       GLN   9  11.943  -8.829   0.944
   76   2HG   GLN   9          2HG       GLN   9  12.090  -8.561  -0.792
   77   1HE2  GLN   9          2HE2      GLN   9  11.330 -10.977  -0.153
   78   2HE2  GLN   9          1HE2      GLN   9  12.609 -12.130  -0.292
   79    H    SER  10           H        SER  10  13.643  -5.154   2.086
   80    HA   SER  10           HA       SER  10  16.499  -4.503   2.400
   81   1HB   SER  10          1HB       SER  10  15.216  -3.806   0.195
   82   2HB   SER  10          2HB       SER  10  14.620  -2.499   1.219
   83    HG   SER  10           HG       SER  10  17.299  -2.865   1.492
   84    H    GLY  11           H        GLY  11  13.343  -4.317   3.674
   85   1HA   GLY  11          1HA       GLY  11  12.558  -3.411   5.632
   86   2HA   GLY  11          2HA       GLY  11  14.225  -3.092   6.060
   87    H    GLU  12           H        GLU  12  13.161  -1.757   3.119
   88    HA   GLU  12           HA       GLU  12  11.855   0.543   3.771
   89   1HB   GLU  12          1HB       GLU  12  13.374   1.452   5.222
   90   2HB   GLU  12          2HB       GLU  12  14.754   0.714   4.419
   91   1HG   GLU  12          1HG       GLU  12  14.516   2.317   2.573
   92   2HG   GLU  12          2HG       GLU  12  13.170   3.074   3.422
   93    H    TYR  13           H        TYR  13  11.539   1.869   2.086
   94    HA   TYR  13           HA       TYR  13  13.197   1.669  -0.279
   95   1HB   TYR  13          1HB       TYR  13  10.370   0.695  -0.109
   96   2HB   TYR  13          2HB       TYR  13  11.098   1.167  -1.643
   97    HD1  TYR  13           HD1      TYR  13  11.486  -1.087   1.261
   98    HD2  TYR  13           HD2      TYR  13  12.469  -0.319  -2.795
   99    HE1  TYR  13           HE1      TYR  13  12.492  -3.336   1.096
  100    HE2  TYR  13           HE2      TYR  13  13.461  -2.545  -3.001
  101    HH   TYR  13           HH       TYR  13  13.060  -4.975  -0.631
  102    H    ALA  14           H        ALA  14  13.268   3.887   0.938
  103    HA   ALA  14           HA       ALA  14  11.228   5.746   0.827
  104   1HB   ALA  14          1HB       ALA  14  14.200   6.136   0.531
  105   2HB   ALA  14          2HB       ALA  14  13.051   7.463   0.709
  106   3HB   ALA  14          3HB       ALA  14  13.234   6.275   2.000
  107    H    VAL  15           H        VAL  15  10.287   6.942  -0.684
  108    HA   VAL  15           HA       VAL  15  11.468   7.322  -3.286
  109    HB   VAL  15           HB       VAL  15  10.376   5.034  -3.228
  110   1HG1  VAL  15          1HG1      VAL  15   7.895   6.716  -3.143
  111   2HG1  VAL  15          2HG1      VAL  15   7.929   5.102  -3.888
  112   3HG1  VAL  15          3HG1      VAL  15   8.326   5.292  -2.186
  113   1HG2  VAL  15          1HG2      VAL  15  10.447   7.043  -5.260
  114   2HG2  VAL  15          2HG2      VAL  15  10.681   5.302  -5.403
  115   3HG2  VAL  15          3HG2      VAL  15   9.054   5.980  -5.491
  116    H    ASP  16           H        ASP  16   9.033   7.828  -4.549
  117    HA   ASP  16           HA       ASP  16   7.640   9.862  -3.109
  118   1HB   ASP  16          1HB       ASP  16   8.904  10.624  -5.679
  119   2HB   ASP  16          2HB       ASP  16   8.264  11.670  -4.419
  120    H    ALA  17           H        ALA  17   5.935  10.720  -4.443
  121    HA   ALA  17           HA       ALA  17   5.294   9.090  -6.773
  122   1HB   ALA  17          1HB       ALA  17   4.423   8.423  -4.330
  123   2HB   ALA  17          2HB       ALA  17   3.119   9.513  -4.868
  124   3HB   ALA  17          3HB       ALA  17   3.538   8.082  -5.834
  125    H    GLN  18           H        GLN  18   2.957   9.897  -7.502
  126    HA   GLN  18           HA       GLN  18   2.855  12.824  -7.353
  127   1HB   GLN  18          1HB       GLN  18   2.695  11.206  -9.903
  128   2HB   GLN  18          2HB       GLN  18   2.440  12.942  -9.779
  129   1HG   GLN  18          1HG       GLN  18   5.000  11.607  -8.967
  130   2HG   GLN  18          2HG       GLN  18   4.695  12.201 -10.598
  131   1HE2  GLN  18          2HE2      GLN  18   6.624  13.504 -10.074
  132   2HE2  GLN  18          1HE2      GLN  18   6.389  15.019  -9.277
  133    H    ASP  19           H        ASP  19   0.820  13.634  -7.187
  134    HA   ASP  19           HA       ASP  19  -1.258  12.110  -6.350
  135   1HB   ASP  19          1HB       ASP  19  -1.840  14.511  -8.012
  136   2HB   ASP  19          2HB       ASP  19  -2.684  13.941  -6.596
  137    H    GLY  20           H        GLY  20  -2.124  10.427  -7.174
  138   1HA   GLY  20          1HA       GLY  20  -3.787   9.719  -8.883
  139   2HA   GLY  20          2HA       GLY  20  -2.671  10.381 -10.072
  140    H    GLN  21           H        GLN  21  -0.637   9.177  -7.859
  141    HA   GLN  21           HA       GLN  21  -0.538   6.562  -9.210
  142   1HB   GLN  21          1HB       GLN  21   1.621   8.225  -7.915
  143   2HB   GLN  21          2HB       GLN  21   1.860   6.552  -8.401
  144   1HG   GLN  21          1HG       GLN  21   1.727   7.052 -10.656
  145   2HG   GLN  21          2HG       GLN  21   0.880   8.567 -10.367
  146   1HE2  GLN  21          2HE2      GLN  21   3.478   7.994  -8.273
  147   2HE2  GLN  21          1HE2      GLN  21   4.622   9.034  -9.026
  148    H    SER  22           H        SER  22  -0.213   4.693  -7.991
  149    HA   SER  22           HA       SER  22  -1.164   4.912  -5.245
  150   1HB   SER  22          1HB       SER  22  -2.038   2.823  -5.541
  151   2HB   SER  22          2HB       SER  22  -1.804   3.179  -7.250
  152    HG   SER  22           HG       SER  22  -0.737   1.334  -7.061
  153    H    LEU  23           H        LEU  23  -0.151   3.213  -3.689
  154    HA   LEU  23           HA       LEU  23   2.719   3.755  -3.613
  155   1HB   LEU  23          1HB       LEU  23   0.867   2.410  -1.642
  156   2HB   LEU  23          2HB       LEU  23   2.583   2.644  -1.377
  157    HG   LEU  23           HG       LEU  23   2.052   4.563  -0.374
  158   1HD1  LEU  23          1HD1      LEU  23   2.775   5.414  -2.592
  159   2HD1  LEU  23          2HD1      LEU  23   1.079   5.514  -3.063
  160   3HD1  LEU  23          3HD1      LEU  23   1.685   6.503  -1.734
  161   1HD2  LEU  23          1HD2      LEU  23  -0.456   3.550  -0.756
  162   2HD2  LEU  23          2HD2      LEU  23  -0.075   5.007   0.160
  163   3HD2  LEU  23          3HD2      LEU  23  -0.574   5.132  -1.527
  164    H    MET  24           H        MET  24   1.052   1.625  -5.263
  165    HA   MET  24           HA       MET  24   2.785  -0.666  -4.668
  166   1HB   MET  24          1HB       MET  24   1.021  -1.975  -5.123
  167   2HB   MET  24          2HB       MET  24   0.042  -0.519  -5.185
  168   1HG   MET  24          1HG       MET  24  -0.474  -1.542  -7.175
  169   2HG   MET  24          2HG       MET  24   0.794  -0.417  -7.661
  170   1HE   MET  24          1HE       MET  24  -0.271  -2.501  -9.286
  171   2HE   MET  24          2HE       MET  24   1.017  -3.532  -9.908
  172   3HE   MET  24          3HE       MET  24  -0.088  -4.146  -8.678
  173    H    GLU  25           H        GLU  25   1.934   1.739  -6.994
  174    HA   GLU  25           HA       GLU  25   3.533   0.584  -9.114
  175   1HB   GLU  25          1HB       GLU  25   2.406   3.374  -9.097
  176   2HB   GLU  25          2HB       GLU  25   2.769   2.351 -10.480
  177   1HG   GLU  25          1HG       GLU  25   0.742   1.320  -8.610
  178   2HG   GLU  25          2HG       GLU  25   0.298   2.758  -9.527
  179    H    VAL  26           H        VAL  26   3.839   3.234  -6.754
  180    HA   VAL  26           HA       VAL  26   6.110   4.409  -7.817
  181    HB   VAL  26           HB       VAL  26   6.407   3.914  -4.931
  182   1HG1  VAL  26          1HG1      VAL  26   7.627   5.479  -6.461
  183   2HG1  VAL  26          2HG1      VAL  26   6.173   6.461  -6.472
  184   3HG1  VAL  26          3HG1      VAL  26   7.023   6.174  -4.963
  185   1HG2  VAL  26          1HG2      VAL  26   3.923   4.047  -5.185
  186   2HG2  VAL  26          2HG2      VAL  26   4.687   5.272  -4.173
  187   3HG2  VAL  26          3HG2      VAL  26   4.168   5.680  -5.808
  188    H    ALA  27           H        ALA  27   5.843   1.768  -5.569
  189    HA   ALA  27           HA       ALA  27   8.192   0.816  -5.032
  190   1HB   ALA  27          1HB       ALA  27   5.696  -0.425  -5.466
  191   2HB   ALA  27          2HB       ALA  27   6.929  -1.447  -6.207
  192   3HB   ALA  27          3HB       ALA  27   7.048  -1.015  -4.498
  193    H    THR  28           H        THR  28   6.773  -0.547  -7.947
  194    HA   THR  28           HA       THR  28   9.049  -1.595  -9.037
  195    HB   THR  28           HB       THR  28   7.800  -2.059 -10.859
  196    HG1  THR  28           HG1      THR  28   8.034  -0.031 -11.796
  197   1HG2  THR  28          1HG2      THR  28   6.154  -2.090  -8.875
  198   2HG2  THR  28          2HG2      THR  28   5.455  -0.673  -9.659
  199   3HG2  THR  28          3HG2      THR  28   5.534  -2.210 -10.522
  200    H    GLN  29           H        GLN  29   7.934   1.704  -9.052
  201    HA   GLN  29           HA       GLN  29   9.917   2.609 -10.927
  202   1HB   GLN  29          1HB       GLN  29   8.351   4.263  -8.944
  203   2HB   GLN  29          2HB       GLN  29   9.197   4.854 -10.366
  204   1HG   GLN  29          1HG       GLN  29   7.595   3.180 -11.607
  205   2HG   GLN  29          2HG       GLN  29   6.614   3.404 -10.159
  206   1HE2  GLN  29          2HE2      GLN  29   6.565   5.854  -9.506
  207   2HE2  GLN  29          1HE2      GLN  29   6.135   6.922 -10.794
  208    H    ASN  30           H        ASN  30   9.679   2.262  -7.480
  209    HA   ASN  30           HA       ASN  30  12.185   3.646  -6.990
  210   1HB   ASN  30          1HB       ASN  30  11.035   2.107  -4.780
  211   2HB   ASN  30          2HB       ASN  30  11.475   3.796  -4.840
  212   1HD2  ASN  30          2HD2      ASN  30   9.039   2.359  -3.841
  213   2HD2  ASN  30          1HD2      ASN  30   7.729   3.096  -4.618
  214    H    GLY  31           H        GLY  31  11.570   0.739  -8.248
  215   1HA   GLY  31          1HA       GLY  31  12.951  -1.105  -8.541
  216   2HA   GLY  31          2HA       GLY  31  14.103  -0.368  -7.434
  217    H    VAL  32           H        VAL  32  11.150  -0.314  -6.002
  218    HA   VAL  32           HA       VAL  32  11.710  -1.997  -3.897
  219    HB   VAL  32           HB       VAL  32   8.968  -1.369  -4.918
  220   1HG1  VAL  32          1HG1      VAL  32   9.208  -2.851  -2.907
  221   2HG1  VAL  32          2HG1      VAL  32   9.856  -1.433  -2.072
  222   3HG1  VAL  32          3HG1      VAL  32   8.211  -1.402  -2.721
  223   1HG2  VAL  32          1HG2      VAL  32  10.962   0.401  -3.586
  224   2HG2  VAL  32          2HG2      VAL  32   9.981   0.713  -5.020
  225   3HG2  VAL  32          3HG2      VAL  32   9.228   0.685  -3.424
  226    HA   PRO  33           HA       PRO  33  11.294  -6.238  -4.884
  227   1HB   PRO  33          1HB       PRO  33   9.031  -6.444  -3.043
  228   2HB   PRO  33          2HB       PRO  33  10.627  -7.186  -2.932
  229   1HG   PRO  33          1HG       PRO  33   9.646  -4.788  -1.626
  230   2HG   PRO  33          2HG       PRO  33  11.174  -5.634  -1.369
  231   1HD   PRO  33          1HD       PRO  33  10.971  -3.164  -2.498
  232   2HD   PRO  33          2HD       PRO  33  12.298  -4.281  -2.818
  233    H    GLY  34           H        GLY  34   8.510  -4.139  -4.867
  234   1HA   GLY  34          1HA       GLY  34   6.527  -4.190  -6.048
  235   2HA   GLY  34          2HA       GLY  34   7.556  -4.758  -7.358
  236    H    ILE  35           H        ILE  35   7.068  -6.472  -4.374
  237    HA   ILE  35           HA       ILE  35   6.434  -8.901  -5.657
  238    HB   ILE  35           HB       ILE  35   5.995  -8.069  -2.789
  239   1HG1  ILE  35          1HG1      ILE  35   8.151  -9.791  -4.029
  240   2HG1  ILE  35          2HG1      ILE  35   8.349  -8.087  -3.635
  241   1HG2  ILE  35          1HG2      ILE  35   5.779 -10.773  -4.096
  242   2HG2  ILE  35          2HG2      ILE  35   5.912 -10.529  -2.354
  243   3HG2  ILE  35          3HG2      ILE  35   4.520  -9.891  -3.230
  244   1HD1  ILE  35          1HD1      ILE  35   7.747  -8.735  -1.253
  245   2HD1  ILE  35          2HD1      ILE  35   7.990 -10.403  -1.771
  246   3HD1  ILE  35          3HD1      ILE  35   9.321  -9.250  -1.859
  247    H    VAL  36           H        VAL  36   4.723  -8.200  -7.104
  248    HA   VAL  36           HA       VAL  36   2.139  -8.813  -6.021
  249    HB   VAL  36           HB       VAL  36   1.824  -6.601  -5.462
  250   1HG1  VAL  36          1HG1      VAL  36   4.020  -6.125  -7.118
  251   2HG1  VAL  36          2HG1      VAL  36   2.721  -5.118  -7.755
  252   3HG1  VAL  36          3HG1      VAL  36   3.201  -4.973  -6.064
  253   1HG2  VAL  36          1HG2      VAL  36   0.383  -7.519  -7.583
  254   2HG2  VAL  36          2HG2      VAL  36   0.040  -6.035  -6.695
  255   3HG2  VAL  36          3HG2      VAL  36   0.970  -5.971  -8.192
  256    H    ALA  37           H        ALA  37   2.586  -6.774  -8.858
  257    HA   ALA  37           HA       ALA  37   1.921  -7.165 -11.024
  258   1HB   ALA  37          1HB       ALA  37   4.337  -8.168 -10.607
  259   2HB   ALA  37          2HB       ALA  37   3.512  -9.674 -11.008
  260   3HB   ALA  37          3HB       ALA  37   3.516  -8.339 -12.159
  261    H    GLU  38           H        GLU  38  -0.104  -7.976  -9.461
  262    HA   GLU  38           HA       GLU  38  -0.830 -10.697 -10.230
  263   1HB   GLU  38          1HB       GLU  38  -2.161  -8.706  -8.389
  264   2HB   GLU  38          2HB       GLU  38  -2.789 -10.313  -8.726
  265   1HG   GLU  38          1HG       GLU  38  -1.447 -11.232  -7.225
  266   2HG   GLU  38          2HG       GLU  38  -0.031 -10.446  -7.919
  267    H    CYS  39           H        CYS  39  -2.938  -7.859  -9.936
  268    HA   CYS  39           HA       CYS  39  -4.063  -8.544 -12.564
  269   1HB   CYS  39          1HB       CYS  39  -6.123  -7.592 -11.858
  270   2HB   CYS  39          2HB       CYS  39  -5.553  -8.577 -10.515
  271    H    GLY  40           H        GLY  40  -2.221  -6.209 -10.925
  272   1HA   GLY  40          1HA       GLY  40  -1.210  -4.297 -11.727
  273   2HA   GLY  40          2HA       GLY  40  -1.957  -4.614 -13.285
  274    H    GLY  41           H        GLY  41  -3.902  -4.386 -10.409
  275   1HA   GLY  41          1HA       GLY  41  -5.102  -2.551  -9.562
  276   2HA   GLY  41          2HA       GLY  41  -4.556  -1.592 -10.929
  277    H    SER  42           H        SER  42  -5.565  -4.419 -12.232
  278    HA   SER  42           HA       SER  42  -7.813  -3.330 -13.484
  279   1HB   SER  42          1HB       SER  42  -6.341  -5.483 -14.001
  280   2HB   SER  42          2HB       SER  42  -7.649  -6.290 -13.136
  281    HG   SER  42           HG       SER  42  -7.649  -5.589 -15.639
  282    H    CYS  43           H        CYS  43  -7.457  -4.599 -10.353
  283    HA   CYS  43           HA       CYS  43  -8.924  -4.765  -8.616
  284   1HB   CYS  43          1HB       CYS  43 -10.118  -2.899 -10.222
  285   2HB   CYS  43          2HB       CYS  43 -11.368  -4.135 -10.127
  286    HG   CYS  43           HG       CYS  43 -10.224  -3.090  -7.458
  287    H    VAL  44           H        VAL  44  -8.258  -7.024 -10.030
  288    HA   VAL  44           HA       VAL  44 -10.771  -8.562  -9.956
  289    HB   VAL  44           HB       VAL  44  -9.770  -8.334 -12.257
  290   1HG1  VAL  44          1HG1      VAL  44  -7.444  -9.261 -10.829
  291   2HG1  VAL  44          2HG1      VAL  44  -7.823 -10.333 -12.177
  292   3HG1  VAL  44          3HG1      VAL  44  -7.573  -8.611 -12.463
  293   1HG2  VAL  44          1HG2      VAL  44 -11.108 -10.378 -11.147
  294   2HG2  VAL  44          2HG2      VAL  44 -10.598 -10.361 -12.835
  295   3HG2  VAL  44          3HG2      VAL  44  -9.635 -11.219 -11.631
  296    H    CYS  45           H        CYS  45  -7.750  -8.086  -8.578
  297    HA   CYS  45           HA       CYS  45  -7.812 -10.783  -7.401
  298   1HB   CYS  45          1HB       CYS  45  -5.557 -11.027  -7.579
  299   2HB   CYS  45          2HB       CYS  45  -5.787  -9.931  -8.934
  300    H    ALA  46           H        ALA  46  -6.638 -10.839  -5.232
  301    HA   ALA  46           HA       ALA  46  -6.907  -8.374  -3.700
  302   1HB   ALA  46          1HB       ALA  46  -9.022 -10.099  -3.748
  303   2HB   ALA  46          2HB       ALA  46  -8.138 -10.641  -2.321
  304   3HB   ALA  46          3HB       ALA  46  -8.667  -8.963  -2.446
  305    H    THR  47           H        THR  47  -4.590  -9.721  -4.447
  306    HA   THR  47           HA       THR  47  -3.720 -10.991  -1.938
  307    HB   THR  47           HB       THR  47  -1.729 -11.631  -3.611
  308    HG1  THR  47           HG1      THR  47  -2.268 -11.145  -5.566
  309   1HG2  THR  47          1HG2      THR  47  -4.046 -12.983  -2.648
  310   2HG2  THR  47          2HG2      THR  47  -3.701 -13.506  -4.295
  311   3HG2  THR  47          3HG2      THR  47  -2.458 -13.636  -3.050
  312    H    CYS  48           H        CYS  48  -3.535  -8.166  -3.703
  313    HA   CYS  48           HA       CYS  48  -0.822  -7.425  -3.136
  314   1HB   CYS  48          1HB       CYS  48  -1.624  -5.141  -3.839
  315   2HB   CYS  48          2HB       CYS  48  -1.882  -6.411  -5.033
  316    H    ARG  49           H        ARG  49  -1.668  -8.293  -0.778
  317    HA   ARG  49           HA       ARG  49  -2.935  -6.365   0.864
  318   1HB   ARG  49          1HB       ARG  49  -2.618  -8.930   1.203
  319   2HB   ARG  49          2HB       ARG  49  -1.093  -8.466   1.946
  320   1HG   ARG  49          1HG       ARG  49  -2.334  -8.413   3.815
  321   2HG   ARG  49          2HG       ARG  49  -2.760  -6.800   3.237
  322   1HD   ARG  49          1HD       ARG  49  -4.581  -8.302   1.918
  323   2HD   ARG  49          2HD       ARG  49  -4.382  -9.255   3.388
  324    HE   ARG  49           HE       ARG  49  -5.354  -7.545   4.608
  325   1HH1  ARG  49          1HH1      ARG  49  -4.810  -6.543   1.318
  326   2HH1  ARG  49          2HH1      ARG  49  -5.783  -5.116   1.454
  327   1HH2  ARG  49          1HH2      ARG  49  -6.637  -5.669   4.799
  328   2HH2  ARG  49          2HH2      ARG  49  -6.822  -4.619   3.434
  329    H    ILE  50           H        ILE  50  -1.622  -4.482   0.190
  330    HA   ILE  50           HA       ILE  50   1.071  -4.349   1.287
  331    HB   ILE  50           HB       ILE  50  -0.422  -2.021   0.107
  332   1HG1  ILE  50          1HG1      ILE  50  -0.704  -3.688  -1.566
  333   2HG1  ILE  50          2HG1      ILE  50   0.667  -2.713  -2.083
  334   1HG2  ILE  50          1HG2      ILE  50   2.448  -2.763   0.531
  335   2HG2  ILE  50          2HG2      ILE  50   1.993  -1.564  -0.678
  336   3HG2  ILE  50          3HG2      ILE  50   1.591  -1.301   1.019
  337   1HD1  ILE  50          1HD1      ILE  50   1.379  -5.033  -0.451
  338   2HD1  ILE  50          2HD1      ILE  50   0.628  -5.419  -2.000
  339   3HD1  ILE  50          3HD1      ILE  50   2.089  -4.431  -1.949
  340    H    GLU  51           H        GLU  51   1.586  -2.306   2.638
  341    HA   GLU  51           HA       GLU  51  -0.669  -1.598   4.364
  342   1HB   GLU  51          1HB       GLU  51   1.787  -3.069   5.188
  343   2HB   GLU  51          2HB       GLU  51   1.088  -1.908   6.309
  344   1HG   GLU  51          1HG       GLU  51  -0.934  -3.101   6.444
  345   2HG   GLU  51          2HG       GLU  51  -0.530  -4.092   5.042
  346    H    ILE  52           H        ILE  52  -0.780   0.502   4.477
  347    HA   ILE  52           HA       ILE  52   1.349   2.294   3.844
  348    HB   ILE  52           HB       ILE  52  -1.302   2.748   5.235
  349   1HG1  ILE  52          1HG1      ILE  52  -1.206   1.886   2.806
  350   2HG1  ILE  52          2HG1      ILE  52  -2.207   3.295   3.150
  351   1HG2  ILE  52          1HG2      ILE  52   0.517   4.471   5.644
  352   2HG2  ILE  52          2HG2      ILE  52   0.386   4.861   3.930
  353   3HG2  ILE  52          3HG2      ILE  52  -1.010   5.065   4.991
  354   1HD1  ILE  52          1HD1      ILE  52   0.589   3.398   2.067
  355   2HD1  ILE  52          2HD1      ILE  52  -0.886   3.525   1.102
  356   3HD1  ILE  52          3HD1      ILE  52  -0.513   4.759   2.308
  357    H    GLU  53           H        GLU  53   2.611   3.627   5.361
  358    HA   GLU  53           HA       GLU  53   3.169   2.284   7.773
  359   1HB   GLU  53          1HB       GLU  53   4.777   3.836   8.087
  360   2HB   GLU  53          2HB       GLU  53   4.308   4.433   6.506
  361   1HG   GLU  53          1HG       GLU  53   4.125   6.383   7.584
  362   2HG   GLU  53          2HG       GLU  53   2.565   5.743   8.050
  363    H    ASP  54           H        ASP  54   2.635   3.114  10.060
  364    HA   ASP  54           HA       ASP  54  -0.213   3.460  10.185
  365   1HB   ASP  54          1HB       ASP  54   1.277   2.056  11.749
  366   2HB   ASP  54          2HB       ASP  54   1.606   3.577  12.574
  367    H    ALA  55           H        ALA  55   1.464   5.733   9.219
  368    HA   ALA  55           HA       ALA  55   0.545   7.806  11.077
  369   1HB   ALA  55          1HB       ALA  55   2.832   7.770   9.119
  370   2HB   ALA  55          2HB       ALA  55   2.241   9.246   9.877
  371   3HB   ALA  55          3HB       ALA  55   2.914   7.953  10.874
  372    H    TRP  56           H        TRP  56   0.498   6.530   7.875
  373    HA   TRP  56           HA       TRP  56  -0.982   8.844   6.890
  374   1HB   TRP  56          1HB       TRP  56   0.387   6.632   5.405
  375   2HB   TRP  56          2HB       TRP  56  -0.363   8.051   4.683
  376    HD1  TRP  56           HD1      TRP  56   2.332   7.242   7.269
  377    HE1  TRP  56           HE1      TRP  56   4.117   9.062   7.202
  378    HE3  TRP  56           HE3      TRP  56   0.211  10.223   3.685
  379    HZ2  TRP  56           HZ2      TRP  56   4.606  11.412   5.787
  380    HZ3  TRP  56           HZ3      TRP  56   1.477  12.235   3.009
  381    HH2  TRP  56           HH2      TRP  56   3.607  12.799   4.034
  382    H    VAL  57           H        VAL  57  -1.814   5.956   8.149
  383    HA   VAL  57           HA       VAL  57  -3.595   5.029   6.156
  384    HB   VAL  57           HB       VAL  57  -3.842   4.715   9.144
  385   1HG1  VAL  57          1HG1      VAL  57  -5.831   4.217   7.814
  386   2HG1  VAL  57          2HG1      VAL  57  -4.888   3.081   6.852
  387   3HG1  VAL  57          3HG1      VAL  57  -5.155   2.768   8.568
  388   1HG2  VAL  57          1HG2      VAL  57  -1.659   4.117   7.916
  389   2HG2  VAL  57          2HG2      VAL  57  -2.368   2.945   9.031
  390   3HG2  VAL  57          3HG2      VAL  57  -2.585   2.753   7.289
  391    H    GLU  58           H        GLU  58  -3.721   7.292   8.786
  392    HA   GLU  58           HA       GLU  58  -6.524   7.883   8.419
  393   1HB   GLU  58          1HB       GLU  58  -4.384   9.242  10.078
  394   2HB   GLU  58          2HB       GLU  58  -6.080   9.705  10.080
  395   1HG   GLU  58          1HG       GLU  58  -6.519   7.256  10.747
  396   2HG   GLU  58          2HG       GLU  58  -4.804   7.224  11.154
  397    H    ILE  59           H        ILE  59  -3.750   8.499   6.775
  398    HA   ILE  59           HA       ILE  59  -4.571  11.181   5.833
  399    HB   ILE  59           HB       ILE  59  -1.996   9.660   5.668
  400   1HG1  ILE  59          1HG1      ILE  59  -2.168  12.557   6.194
  401   2HG1  ILE  59          2HG1      ILE  59  -2.811  11.489   7.436
  402   1HG2  ILE  59          1HG2      ILE  59  -3.060  11.469   3.649
  403   2HG2  ILE  59          2HG2      ILE  59  -1.484  11.961   4.271
  404   3HG2  ILE  59          3HG2      ILE  59  -1.694  10.356   3.569
  405   1HD1  ILE  59          1HD1      ILE  59  -0.254  10.585   6.506
  406   2HD1  ILE  59          2HD1      ILE  59  -0.179  12.257   7.066
  407   3HD1  ILE  59          3HD1      ILE  59  -0.784  10.995   8.136
  408    H    VAL  60           H        VAL  60  -3.931   7.909   4.938
  409    HA   VAL  60           HA       VAL  60  -4.445   8.341   2.130
  410    HB   VAL  60           HB       VAL  60  -3.823   5.831   3.671
  411   1HG1  VAL  60          1HG1      VAL  60  -4.948   5.752   1.322
  412   2HG1  VAL  60          2HG1      VAL  60  -3.335   6.182   0.751
  413   3HG1  VAL  60          3HG1      VAL  60  -3.577   4.704   1.683
  414   1HG2  VAL  60          1HG2      VAL  60  -2.179   8.000   3.365
  415   2HG2  VAL  60          2HG2      VAL  60  -1.636   6.330   3.568
  416   3HG2  VAL  60          3HG2      VAL  60  -1.765   7.020   1.954
  417    H    GLY  61           H        GLY  61  -5.902   6.659   4.870
  418   1HA   GLY  61          1HA       GLY  61  -8.170   6.221   5.215
  419   2HA   GLY  61          2HA       GLY  61  -8.506   6.923   3.640
  420    H    GLU  62           H        GLU  62  -7.498   3.992   5.311
  421    HA   GLU  62           HA       GLU  62  -7.081   2.250   3.291
  422   1HB   GLU  62          1HB       GLU  62  -8.825   1.480   5.614
  423   2HB   GLU  62          2HB       GLU  62  -7.634   0.502   4.768
  424   1HG   GLU  62          1HG       GLU  62  -5.864   1.996   5.683
  425   2HG   GLU  62          2HG       GLU  62  -7.108   2.789   6.649
  426    H    ALA  63           H        ALA  63  -8.580   0.472   2.625
  427    HA   ALA  63           HA       ALA  63 -10.646   1.563   1.046
  428   1HB   ALA  63          1HB       ALA  63  -9.560  -1.140   1.518
  429   2HB   ALA  63          2HB       ALA  63 -11.205  -1.045   0.880
  430   3HB   ALA  63          3HB       ALA  63  -9.871  -0.285   0.006
  431    H    ASN  64           H        ASN  64 -12.840   1.357   1.121
  432    HA   ASN  64           HA       ASN  64 -14.158   1.599   3.511
  433   1HB   ASN  64          1HB       ASN  64 -16.196   0.976   2.025
  434   2HB   ASN  64          2HB       ASN  64 -15.268   2.403   1.598
  435   1HD2  ASN  64          1HD2      ASN  64 -16.873   1.196  -0.238
  436   2HD2  ASN  64          2HD2      ASN  64 -15.908   0.435  -1.453
  437    HA   PRO  65           HA       PRO  65 -15.061  -2.427   5.015
  438   1HB   PRO  65          1HB       PRO  65 -17.965  -2.014   4.887
  439   2HB   PRO  65          2HB       PRO  65 -16.914  -2.144   6.300
  440   1HG   PRO  65          1HG       PRO  65 -18.052   0.193   5.588
  441   2HG   PRO  65          2HG       PRO  65 -16.436   0.120   6.318
  442   1HD   PRO  65          1HD       PRO  65 -17.191   0.424   3.429
  443   2HD   PRO  65          2HD       PRO  65 -15.937   1.286   4.346
  444    H    ASP  66           H        ASP  66 -15.779  -1.712   1.888
  445    HA   ASP  66           HA       ASP  66 -17.274  -4.136   1.292
  446   1HB   ASP  66          1HB       ASP  66 -16.260  -1.908  -0.489
  447   2HB   ASP  66          2HB       ASP  66 -17.190  -3.291  -1.058
  448    H    GLU  67           H        GLU  67 -14.202  -2.638   0.280
  449    HA   GLU  67           HA       GLU  67 -13.246  -5.087  -0.887
  450   1HB   GLU  67          1HB       GLU  67 -11.430  -2.799  -0.254
  451   2HB   GLU  67          2HB       GLU  67 -11.441  -3.862  -1.655
  452   1HG   GLU  67          1HG       GLU  67 -13.154  -1.481  -1.083
  453   2HG   GLU  67          2HG       GLU  67 -12.165  -1.832  -2.500
  454    H    ASN  68           H        ASN  68 -13.172  -3.632   2.218
  455    HA   ASN  68           HA       ASN  68 -10.865  -5.135   3.132
  456   1HB   ASN  68          1HB       ASN  68 -11.500  -2.788   3.924
  457   2HB   ASN  68          2HB       ASN  68 -12.778  -3.563   4.854
  458   1HD2  ASN  68          2HD2      ASN  68 -12.260  -4.777   6.644
  459   2HD2  ASN  68          1HD2      ASN  68 -10.684  -4.774   7.352
  460    H    ASP  69           H        ASP  69 -14.299  -5.456   3.037
  461    HA   ASP  69           HA       ASP  69 -14.502  -7.377   5.158
  462   1HB   ASP  69          1HB       ASP  69 -16.441  -6.039   4.614
  463   2HB   ASP  69          2HB       ASP  69 -16.415  -6.605   2.946
  464    H    LEU  70           H        LEU  70 -14.747  -7.590   1.609
  465    HA   LEU  70           HA       LEU  70 -15.013 -10.324   1.357
  466   1HB   LEU  70          1HB       LEU  70 -14.617 -10.031  -0.868
  467   2HB   LEU  70          2HB       LEU  70 -14.929  -8.367  -0.411
  468    HG   LEU  70           HG       LEU  70 -12.348  -8.218  -0.117
  469   1HD1  LEU  70          1HD1      LEU  70 -12.722 -10.820  -1.486
  470   2HD1  LEU  70          2HD1      LEU  70 -11.410  -9.781  -2.043
  471   3HD1  LEU  70          3HD1      LEU  70 -11.470 -10.300  -0.358
  472   1HD2  LEU  70          1HD2      LEU  70 -14.098  -7.944  -2.417
  473   2HD2  LEU  70          2HD2      LEU  70 -12.828  -6.873  -1.827
  474   3HD2  LEU  70          3HD2      LEU  70 -12.420  -8.230  -2.877
  475    H    LEU  71           H        LEU  71 -12.102  -8.425   1.887
  476    HA   LEU  71           HA       LEU  71 -10.315 -10.645   1.557
  477   1HB   LEU  71          1HB       LEU  71 -10.068  -7.868   1.692
  478   2HB   LEU  71          2HB       LEU  71  -9.253  -8.454   3.130
  479    HG   LEU  71           HG       LEU  71  -7.870  -8.115   0.985
  480   1HD1  LEU  71          1HD1      LEU  71  -7.580  -9.745   3.177
  481   2HD1  LEU  71          2HD1      LEU  71  -7.311 -10.846   1.826
  482   3HD1  LEU  71          3HD1      LEU  71  -6.333  -9.387   1.983
  483   1HD2  LEU  71          1HD2      LEU  71  -9.636  -9.436  -0.346
  484   2HD2  LEU  71          2HD2      LEU  71  -7.930  -9.735  -0.681
  485   3HD2  LEU  71          3HD2      LEU  71  -8.846 -10.867   0.315
  486    H    GLN  72           H        GLN  72 -12.012  -9.135   4.208
  487    HA   GLN  72           HA       GLN  72 -10.532 -10.491   6.263
  488   1HB   GLN  72          1HB       GLN  72 -12.949  -8.731   6.179
  489   2HB   GLN  72          2HB       GLN  72 -12.646  -9.693   7.620
  490   1HG   GLN  72          1HG       GLN  72 -10.206  -8.479   6.999
  491   2HG   GLN  72          2HG       GLN  72 -11.434  -7.234   6.776
  492   1HE2  GLN  72          2HE2      GLN  72  -9.845  -9.327   9.030
  493   2HE2  GLN  72          1HE2      GLN  72 -10.472  -8.600  10.467
  494    H    SER  73           H        SER  73 -13.093 -11.306   4.174
  495    HA   SER  73           HA       SER  73 -14.656 -13.031   5.677
  496   1HB   SER  73          1HB       SER  73 -14.970 -12.299   3.245
  497   2HB   SER  73          2HB       SER  73 -13.862 -13.604   2.824
  498    HG   SER  73           HG       SER  73 -16.417 -13.820   3.157
  499    H    THR  74           H        THR  74 -11.487 -13.531   4.260
  500    HA   THR  74           HA       THR  74 -11.296 -16.303   4.448
  501    HB   THR  74           HB       THR  74  -8.855 -15.959   4.519
  502    HG1  THR  74           HG1      THR  74  -8.284 -13.598   4.396
  503   1HG2  THR  74          1HG2      THR  74 -10.479 -15.253   2.453
  504   2HG2  THR  74          2HG2      THR  74  -9.517 -13.793   2.681
  505   3HG2  THR  74          3HG2      THR  74  -8.719 -15.338   2.385
  506    H    GLY  75           H        GLY  75 -10.301 -13.848   6.834
  507   1HA   GLY  75          1HA       GLY  75 -10.919 -14.245   9.174
  508   2HA   GLY  75          2HA       GLY  75 -10.548 -15.941   8.905
  509    H    GLU  76           H        GLU  76  -8.457 -13.608   7.479
  510    HA   GLU  76           HA       GLU  76  -6.325 -14.433   9.294
  511   1HB   GLU  76          1HB       GLU  76  -6.346 -13.041   6.622
  512   2HB   GLU  76          2HB       GLU  76  -4.889 -13.162   7.598
  513   1HG   GLU  76          1HG       GLU  76  -5.212 -15.652   7.585
  514   2HG   GLU  76          2HG       GLU  76  -6.487 -15.403   6.394
  515    HA   PRO  77           HA       PRO  77  -6.307 -10.684  11.605
  516   1HB   PRO  77          1HB       PRO  77  -3.641 -10.516  12.197
  517   2HB   PRO  77          2HB       PRO  77  -4.763 -11.608  13.016
  518   1HG   PRO  77          1HG       PRO  77  -2.834 -12.178  10.803
  519   2HG   PRO  77          2HG       PRO  77  -3.222 -13.154  12.233
  520   1HD   PRO  77          1HD       PRO  77  -4.233 -13.709   9.792
  521   2HD   PRO  77          2HD       PRO  77  -5.147 -14.006  11.285
  522    H    MET  78           H        MET  78  -5.734  -8.497  11.490
  523    HA   MET  78           HA       MET  78  -3.978  -7.615   9.342
  524   1HB   MET  78          1HB       MET  78  -6.939  -7.155   9.409
  525   2HB   MET  78          2HB       MET  78  -5.884  -5.937   8.707
  526   1HG   MET  78          1HG       MET  78  -5.208  -7.331   6.982
  527   2HG   MET  78          2HG       MET  78  -5.704  -8.790   7.837
  528   1HE   MET  78          1HE       MET  78  -7.156  -5.407   7.140
  529   2HE   MET  78          2HE       MET  78  -8.624  -5.681   6.203
  530   3HE   MET  78          3HE       MET  78  -8.625  -5.960   7.944
  531    H    THR  79           H        THR  79  -3.306  -5.431   9.543
  532    HA   THR  79           HA       THR  79  -3.697  -4.358  12.252
  533    HB   THR  79           HB       THR  79  -1.552  -3.417  12.143
  534    HG1  THR  79           HG1      THR  79  -1.321  -3.986   9.392
  535   1HG2  THR  79          1HG2      THR  79  -1.785  -6.149  11.347
  536   2HG2  THR  79          2HG2      THR  79  -0.376  -5.419  10.579
  537   3HG2  THR  79          3HG2      THR  79  -0.547  -5.371  12.334
  538    H    ALA  80           H        ALA  80  -2.955  -1.803  12.032
  539    HA   ALA  80           HA       ALA  80  -5.184  -0.626  10.619
  540   1HB   ALA  80          1HB       ALA  80  -4.629   0.111  12.884
  541   2HB   ALA  80          2HB       ALA  80  -3.059   0.678  12.315
  542   3HB   ALA  80          3HB       ALA  80  -4.537   1.443  11.732
  543    H    GLY  81           H        GLY  81  -4.996  -0.232   8.514
  544   1HA   GLY  81          1HA       GLY  81  -4.023   1.441   6.968
  545   2HA   GLY  81          2HA       GLY  81  -2.451   0.918   7.548
  546    H    THR  82           H        THR  82  -4.262  -1.801   7.409
  547    HA   THR  82           HA       THR  82  -2.949  -2.715   5.030
  548    HB   THR  82           HB       THR  82  -5.076  -4.411   6.145
  549    HG1  THR  82           HG1      THR  82  -4.425  -4.450   8.145
  550   1HG2  THR  82          1HG2      THR  82  -2.284  -4.691   5.256
  551   2HG2  THR  82          2HG2      THR  82  -2.818  -5.782   6.534
  552   3HG2  THR  82          3HG2      THR  82  -3.674  -5.743   4.993
  553    H    ARG  83           H        ARG  83  -3.696  -2.062   3.102
  554    HA   ARG  83           HA       ARG  83  -6.375  -2.756   2.320
  555   1HB   ARG  83          1HB       ARG  83  -6.861  -0.415   1.470
  556   2HB   ARG  83          2HB       ARG  83  -6.984  -0.651   3.207
  557   1HG   ARG  83          1HG       ARG  83  -5.571   1.016   3.527
  558   2HG   ARG  83          2HG       ARG  83  -4.325   0.129   2.647
  559   1HD   ARG  83          1HD       ARG  83  -4.827   2.424   1.766
  560   2HD   ARG  83          2HD       ARG  83  -4.954   1.125   0.583
  561    HE   ARG  83           HE       ARG  83  -7.484   1.331   1.361
  562   1HH1  ARG  83          1HH1      ARG  83  -5.184   3.825   0.589
  563   2HH1  ARG  83          2HH1      ARG  83  -6.383   4.929   0.005
  564   1HH2  ARG  83          1HH2      ARG  83  -9.069   2.770   0.595
  565   2HH2  ARG  83          2HH2      ARG  83  -8.594   4.332   0.015
  566    H    LEU  84           H        LEU  84  -6.689  -2.721   0.060
  567    HA   LEU  84           HA       LEU  84  -4.539  -3.478  -1.492
  568   1HB   LEU  84          1HB       LEU  84  -7.130  -2.211  -2.380
  569   2HB   LEU  84          2HB       LEU  84  -6.006  -3.030  -3.447
  570    HG   LEU  84           HG       LEU  84  -6.383  -5.032  -1.757
  571   1HD1  LEU  84          1HD1      LEU  84  -8.322  -3.092  -0.923
  572   2HD1  LEU  84          2HD1      LEU  84  -9.132  -4.534  -1.536
  573   3HD1  LEU  84          3HD1      LEU  84  -7.952  -4.673  -0.233
  574   1HD2  LEU  84          1HD2      LEU  84  -7.574  -4.183  -4.243
  575   2HD2  LEU  84          2HD2      LEU  84  -7.088  -5.796  -3.721
  576   3HD2  LEU  84          3HD2      LEU  84  -8.690  -5.182  -3.311
  577    H    SER  85           H        SER  85  -2.791  -2.093  -1.301
  578    HA   SER  85           HA       SER  85  -2.782   0.665  -1.552
  579   1HB   SER  85          1HB       SER  85  -0.759  -0.218  -0.815
  580   2HB   SER  85          2HB       SER  85  -0.723  -1.452  -2.075
  581    HG   SER  85           HG       SER  85   0.732   0.044  -2.717
  582    H    CYS  86           H        CYS  86  -2.446  -1.798  -4.089
  583    HA   CYS  86           HA       CYS  86  -1.922  -0.182  -6.259
  584   1HB   CYS  86          1HB       CYS  86  -2.478  -1.982  -7.597
  585   2HB   CYS  86          2HB       CYS  86  -2.218  -2.790  -6.055
  586    H    GLN  87           H        GLN  87  -4.848  -0.517  -4.453
  587    HA   GLN  87           HA       GLN  87  -6.454   0.813  -6.480
  588   1HB   GLN  87          1HB       GLN  87  -7.520  -1.001  -5.321
  589   2HB   GLN  87          2HB       GLN  87  -7.126  -0.302  -3.758
  590   1HG   GLN  87          1HG       GLN  87  -8.856   1.131  -3.809
  591   2HG   GLN  87          2HG       GLN  87  -8.721   1.403  -5.545
  592   1HE2  GLN  87          2HE2      GLN  87 -10.509  -0.033  -3.126
  593   2HE2  GLN  87          1HE2      GLN  87 -11.480  -1.081  -4.097
  594    H    VAL  88           H        VAL  88  -4.311   1.855  -4.203
  595    HA   VAL  88           HA       VAL  88  -5.884   4.182  -3.417
  596    HB   VAL  88           HB       VAL  88  -3.097   3.443  -2.549
  597   1HG1  VAL  88          1HG1      VAL  88  -5.046   5.548  -1.921
  598   2HG1  VAL  88          2HG1      VAL  88  -4.165   4.861  -0.558
  599   3HG1  VAL  88          3HG1      VAL  88  -3.285   5.584  -1.901
  600   1HG2  VAL  88          1HG2      VAL  88  -5.758   2.721  -1.327
  601   2HG2  VAL  88          2HG2      VAL  88  -4.497   1.623  -1.886
  602   3HG2  VAL  88          3HG2      VAL  88  -4.223   2.626  -0.463
  603    H    PHE  89           H        PHE  89  -4.852   6.341  -3.596
  604    HA   PHE  89           HA       PHE  89  -2.706   6.531  -5.522
  605   1HB   PHE  89          1HB       PHE  89  -5.382   7.740  -6.172
  606   2HB   PHE  89          2HB       PHE  89  -3.928   7.744  -7.181
  607    HD1  PHE  89           HD1      PHE  89  -3.116   5.717  -8.202
  608    HD2  PHE  89           HD2      PHE  89  -6.710   5.774  -5.925
  609    HE1  PHE  89           HE1      PHE  89  -3.718   3.502  -9.114
  610    HE2  PHE  89           HE2      PHE  89  -7.342   3.573  -6.848
  611    HZ   PHE  89           HZ       PHE  89  -5.842   2.430  -8.445
  612    H    ILE  90           H        ILE  90  -1.578   8.277  -5.521
  613    HA   ILE  90           HA       ILE  90  -1.456   9.927  -3.299
  614    HB   ILE  90           HB       ILE  90  -0.273  10.203  -6.056
  615   1HG1  ILE  90          1HG1      ILE  90   0.176   8.247  -4.291
  616   2HG1  ILE  90          2HG1      ILE  90   1.451   8.899  -5.318
  617   1HG2  ILE  90          1HG2      ILE  90   0.105  11.818  -3.588
  618   2HG2  ILE  90          2HG2      ILE  90   1.479  11.493  -4.643
  619   3HG2  ILE  90          3HG2      ILE  90   0.071  12.337  -5.269
  620   1HD1  ILE  90          1HD1      ILE  90   0.862   9.744  -2.499
  621   2HD1  ILE  90          2HD1      ILE  90   2.182   8.693  -3.005
  622   3HD1  ILE  90          3HD1      ILE  90   2.155  10.391  -3.512
  623    H    ASP  91           H        ASP  91  -1.886  12.072  -2.941
  624    HA   ASP  91           HA       ASP  91  -3.066  13.828  -4.811
  625   1HB   ASP  91          1HB       ASP  91  -5.007  14.024  -2.940
  626   2HB   ASP  91          2HB       ASP  91  -5.129  12.977  -4.339
  627    HA   PRO  92           HA       PRO  92  -0.884  16.594  -2.103
  628   1HB   PRO  92          1HB       PRO  92  -3.257  18.393  -2.105
  629   2HB   PRO  92          2HB       PRO  92  -1.583  18.738  -2.558
  630   1HG   PRO  92          1HG       PRO  92  -3.422  18.467  -4.448
  631   2HG   PRO  92          2HG       PRO  92  -1.814  17.747  -4.665
  632   1HD   PRO  92          1HD       PRO  92  -4.382  16.432  -3.857
  633   2HD   PRO  92          2HD       PRO  92  -3.154  15.862  -5.009
  634    H    SER  93           H        SER  93  -2.903  14.631  -0.982
  635    HA   SER  93           HA       SER  93  -3.382  15.783   1.648
  636   1HB   SER  93          1HB       SER  93  -4.847  13.464   1.443
  637   2HB   SER  93          2HB       SER  93  -5.475  15.079   1.142
  638    HG   SER  93           HG       SER  93  -4.293  13.434  -0.823
  639    H    MET  94           H        MET  94  -1.958  13.264  -0.234
  640    HA   MET  94           HA       MET  94  -0.837  11.990   2.155
  641   1HB   MET  94          1HB       MET  94  -1.757  10.750  -0.445
  642   2HB   MET  94          2HB       MET  94  -0.901   9.888   0.814
  643   1HG   MET  94          1HG       MET  94  -2.732   9.627   2.048
  644   2HG   MET  94          2HG       MET  94  -3.252  11.288   1.788
  645   1HE   MET  94          1HE       MET  94  -2.748   7.925  -0.149
  646   2HE   MET  94          2HE       MET  94  -3.911   8.090  -1.464
  647   3HE   MET  94          3HE       MET  94  -2.496   9.142  -1.401
  648    H    ASP  95           H        ASP  95   0.536  14.017   1.151
  649    HA   ASP  95           HA       ASP  95   2.387  13.089  -0.815
  650   1HB   ASP  95          1HB       ASP  95   2.781  15.721   0.479
  651   2HB   ASP  95          2HB       ASP  95   2.855  15.312  -1.219
  652    H    GLY  96           H        GLY  96   4.419  12.352  -0.333
  653   1HA   GLY  96          1HA       GLY  96   6.316  12.002   0.956
  654   2HA   GLY  96          2HA       GLY  96   5.621  13.015   2.213
  655    H    LEU  97           H        LEU  97   3.957  10.385   0.655
  656    HA   LEU  97           HA       LEU  97   3.079   9.219   3.043
  657   1HB   LEU  97          1HB       LEU  97   3.134   8.255   0.212
  658   2HB   LEU  97          2HB       LEU  97   2.579   7.219   1.501
  659    HG   LEU  97           HG       LEU  97   1.301   9.876   1.347
  660   1HD1  LEU  97          1HD1      LEU  97   1.696   8.974  -1.032
  661   2HD1  LEU  97          2HD1      LEU  97   0.501   7.749  -0.610
  662   3HD1  LEU  97          3HD1      LEU  97   0.061   9.454  -0.591
  663   1HD2  LEU  97          1HD2      LEU  97   0.799   7.868   2.901
  664   2HD2  LEU  97          2HD2      LEU  97  -0.556   8.701   2.143
  665   3HD2  LEU  97          3HD2      LEU  97   0.016   7.169   1.485
  666    H    ILE  98           H        ILE  98   3.442   7.188   3.897
  667    HA   ILE  98           HA       ILE  98   6.058   6.009   3.302
  668    HB   ILE  98           HB       ILE  98   4.872   6.149   6.052
  669   1HG1  ILE  98          1HG1      ILE  98   6.664   7.711   6.604
  670   2HG1  ILE  98          2HG1      ILE  98   7.246   7.643   4.941
  671   1HG2  ILE  98          1HG2      ILE  98   7.128   4.695   4.879
  672   2HG2  ILE  98          2HG2      ILE  98   7.469   5.511   6.405
  673   3HG2  ILE  98          3HG2      ILE  98   6.161   4.333   6.309
  674   1HD1  ILE  98          1HD1      ILE  98   4.442   8.300   5.123
  675   2HD1  ILE  98          2HD1      ILE  98   5.474   9.467   5.958
  676   3HD1  ILE  98          3HD1      ILE  98   5.743   9.104   4.255
  677    H    VAL  99           H        VAL  99   5.781   4.045   2.502
  678    HA   VAL  99           HA       VAL  99   3.357   2.634   3.160
  679    HB   VAL  99           HB       VAL  99   5.174   1.419   1.227
  680   1HG1  VAL  99          1HG1      VAL  99   2.340   1.656   1.923
  681   2HG1  VAL  99          2HG1      VAL  99   2.675   1.624   0.185
  682   3HG1  VAL  99          3HG1      VAL  99   3.233   0.301   1.209
  683   1HG2  VAL  99          1HG2      VAL  99   3.685   3.994   0.697
  684   2HG2  VAL  99          2HG2      VAL  99   5.432   3.763   0.633
  685   3HG2  VAL  99          3HG2      VAL  99   4.390   2.959  -0.542
  686    H    ARG 100           H        ARG 100   3.756   0.089   2.981
  687    HA   ARG 100           HA       ARG 100   6.091  -0.895   4.302
  688   1HB   ARG 100          1HB       ARG 100   3.737  -0.134   5.896
  689   2HB   ARG 100          2HB       ARG 100   4.323  -1.764   6.197
  690   1HG   ARG 100          1HG       ARG 100   6.403  -1.006   6.939
  691   2HG   ARG 100          2HG       ARG 100   6.170   0.590   6.226
  692   1HD   ARG 100          1HD       ARG 100   5.006   1.350   7.991
  693   2HD   ARG 100          2HD       ARG 100   4.143  -0.173   8.202
  694    HE   ARG 100           HE       ARG 100   6.863  -0.414   8.987
  695   1HH1  ARG 100          1HH1      ARG 100   3.788   0.855  10.011
  696   2HH1  ARG 100          2HH1      ARG 100   4.149   0.727  11.700
  697   1HH2  ARG 100          1HH2      ARG 100   7.351  -0.591  11.212
  698   2HH2  ARG 100          2HH2      ARG 100   6.175  -0.095  12.383
  699    H    VAL 101           H        VAL 101   6.142  -3.186   4.438
  700    HA   VAL 101           HA       VAL 101   3.953  -4.520   2.977
  701    HB   VAL 101           HB       VAL 101   6.876  -5.286   3.010
  702   1HG1  VAL 101          1HG1      VAL 101   5.374  -7.212   2.839
  703   2HG1  VAL 101          2HG1      VAL 101   4.568  -6.460   1.462
  704   3HG1  VAL 101          3HG1      VAL 101   6.259  -6.946   1.337
  705   1HG2  VAL 101          1HG2      VAL 101   6.060  -3.199   1.687
  706   2HG2  VAL 101          2HG2      VAL 101   7.113  -4.375   0.900
  707   3HG2  VAL 101          3HG2      VAL 101   5.378  -4.393   0.582
  708    HA   PRO 102           HA       PRO 102   3.478  -6.906   6.698
  709   1HB   PRO 102          1HB       PRO 102   1.751  -8.747   5.756
  710   2HB   PRO 102          2HB       PRO 102   1.269  -7.071   6.053
  711   1HG   PRO 102          1HG       PRO 102   2.032  -8.392   3.474
  712   2HG   PRO 102          2HG       PRO 102   0.677  -7.296   3.808
  713   1HD   PRO 102          1HD       PRO 102   2.984  -6.459   2.651
  714   2HD   PRO 102          2HD       PRO 102   2.009  -5.417   3.705
  715    H    LEU 103           H        LEU 103   3.339  -9.390   7.179
  716    HA   LEU 103           HA       LEU 103   5.850 -10.502   6.316
  717   1HB   LEU 103          1HB       LEU 103   5.733 -11.776   8.170
  718   2HB   LEU 103          2HB       LEU 103   4.480 -10.641   8.635
  719    HG   LEU 103           HG       LEU 103   3.968 -13.301   7.298
  720   1HD1  LEU 103          1HD1      LEU 103   3.740 -12.490  10.191
  721   2HD1  LEU 103          2HD1      LEU 103   3.129 -13.997   9.508
  722   3HD1  LEU 103          3HD1      LEU 103   4.861 -13.666   9.506
  723   1HD2  LEU 103          1HD2      LEU 103   2.163 -11.171   8.416
  724   2HD2  LEU 103          2HD2      LEU 103   2.189 -11.836   6.783
  725   3HD2  LEU 103          3HD2      LEU 103   1.630 -12.827   8.129
  726    HA   PRO 104           HA       PRO 104   4.836 -13.629   3.384
  727   1HB   PRO 104          1HB       PRO 104   4.944 -15.779   5.446
  728   2HB   PRO 104          2HB       PRO 104   5.794 -15.659   3.901
  729   1HG   PRO 104          1HG       PRO 104   7.078 -15.212   6.189
  730   2HG   PRO 104          2HG       PRO 104   7.412 -14.228   4.752
  731   1HD   PRO 104          1HD       PRO 104   5.828 -13.549   7.192
  732   2HD   PRO 104          2HD       PRO 104   6.884 -12.517   6.206
  733    H    ALA 105           H        ALA 105   2.661 -12.947   3.110
  734    HA   ALA 105           HA       ALA 105   0.690 -14.760   4.344
  735   1HB   ALA 105          1HB       ALA 105   0.825 -12.059   4.804
  736   2HB   ALA 105          2HB       ALA 105  -0.385 -12.176   3.527
  737   3HB   ALA 105          3HB       ALA 105  -0.601 -13.072   5.031
  Start of MODEL    2
    1   2H    PRO   1          2H        PRO   1   4.020  15.017  -5.177
    2   1H    PRO   1          1H        PRO   1   4.735  13.553  -5.424
    3    HA   PRO   1           HA       PRO   1   4.654  15.059  -3.201
    4   1HB   PRO   1          1HB       PRO   1   3.643  12.371  -2.482
    5   2HB   PRO   1          2HB       PRO   1   3.372  13.916  -1.703
    6   1HG   PRO   1          1HG       PRO   1   1.451  12.918  -3.101
    7   2HG   PRO   1          2HG       PRO   1   1.865  14.627  -3.337
    8   1HD   PRO   1          1HD       PRO   1   2.777  12.256  -4.967
    9   2HD   PRO   1          2HD       PRO   1   1.961  13.715  -5.536
   10    H    ARG   2           H        ARG   2   5.419  13.298  -1.373
   11    HA   ARG   2           HA       ARG   2   7.752  11.909  -2.579
   12   1HB   ARG   2          1HB       ARG   2   8.731  13.607  -1.275
   13   2HB   ARG   2          2HB       ARG   2   7.492  13.492  -0.031
   14   1HG   ARG   2          1HG       ARG   2   8.416  11.531   0.866
   15   2HG   ARG   2          2HG       ARG   2   9.415  11.255  -0.561
   16   1HD   ARG   2          1HD       ARG   2  10.663  13.322  -0.015
   17   2HD   ARG   2          2HD       ARG   2   9.739  13.436   1.481
   18    HE   ARG   2           HE       ARG   2  11.210  10.967   1.005
   19   1HH1  ARG   2          1HH1      ARG   2  11.050  14.045   2.639
   20   2HH1  ARG   2          2HH1      ARG   2  12.202  13.601   3.852
   21   1HH2  ARG   2          1HH2      ARG   2  12.729  10.383   2.595
   22   2HH2  ARG   2          2HH2      ARG   2  13.158  11.523   3.827
   23    H    VAL   3           H        VAL   3   8.421   9.898  -1.197
   24    HA   VAL   3           HA       VAL   3   6.331   8.965   0.527
   25    HB   VAL   3           HB       VAL   3   6.348   8.324  -2.318
   26   1HG1  VAL   3          1HG1      VAL   3   7.123   6.179  -1.023
   27   2HG1  VAL   3          2HG1      VAL   3   5.406   6.102  -0.647
   28   3HG1  VAL   3          3HG1      VAL   3   5.940   6.147  -2.333
   29   1HG2  VAL   3          1HG2      VAL   3   4.495   8.548  -0.059
   30   2HG2  VAL   3          2HG2      VAL   3   4.402   9.217  -1.702
   31   3HG2  VAL   3          3HG2      VAL   3   4.034   7.514  -1.414
   32    H    VAL   4           H        VAL   4   6.648   6.716   1.212
   33    HA   VAL   4           HA       VAL   4   9.337   5.730   0.868
   34    HB   VAL   4           HB       VAL   4   8.420   6.809   3.499
   35   1HG1  VAL   4          1HG1      VAL   4   9.914   4.346   3.026
   36   2HG1  VAL   4          2HG1      VAL   4  10.776   5.499   4.048
   37   3HG1  VAL   4          3HG1      VAL   4   9.166   4.946   4.508
   38   1HG2  VAL   4          1HG2      VAL   4  10.669   7.174   1.611
   39   2HG2  VAL   4          2HG2      VAL   4   9.766   8.376   2.536
   40   3HG2  VAL   4          3HG2      VAL   4  10.998   7.392   3.330
   41    H    PHE   5           H        PHE   5   9.048   3.811   0.338
   42    HA   PHE   5           HA       PHE   5   6.859   2.182   1.385
   43   1HB   PHE   5          1HB       PHE   5   8.923   1.852  -0.770
   44   2HB   PHE   5          2HB       PHE   5   7.921   0.512  -0.247
   45    HD1  PHE   5           HD1      PHE   5   6.591   3.991  -0.531
   46    HD2  PHE   5           HD2      PHE   5   6.975   0.147  -2.321
   47    HE1  PHE   5           HE1      PHE   5   4.972   4.612  -2.250
   48    HE2  PHE   5           HE2      PHE   5   5.345   0.736  -3.993
   49    HZ   PHE   5           HZ       PHE   5   4.302   2.967  -3.971
   50    H    ILE   6           H        ILE   6   7.535  -0.164   1.774
   51    HA   ILE   6           HA       ILE   6  10.120  -0.596   2.918
   52    HB   ILE   6           HB       ILE   6   7.877  -1.302   4.717
   53   1HG1  ILE   6          1HG1      ILE   6   7.650   1.154   3.926
   54   2HG1  ILE   6          2HG1      ILE   6   7.625   0.827   5.651
   55   1HG2  ILE   6          1HG2      ILE   6  10.180  -1.976   5.103
   56   2HG2  ILE   6          2HG2      ILE   6  10.662  -0.284   5.139
   57   3HG2  ILE   6          3HG2      ILE   6   9.588  -0.920   6.384
   58   1HD1  ILE   6          1HD1      ILE   6  10.248   1.404   4.448
   59   2HD1  ILE   6          2HD1      ILE   6   9.101   2.737   4.537
   60   3HD1  ILE   6          3HD1      ILE   6   9.580   1.889   6.008
   61    H    ASP   7           H        ASP   7  10.388  -2.932   3.514
   62    HA   ASP   7           HA       ASP   7   8.363  -4.796   2.911
   63   1HB   ASP   7          1HB       ASP   7   9.063  -3.883   0.607
   64   2HB   ASP   7          2HB       ASP   7  10.530  -4.828   0.839
   65    H    GLU   8           H        GLU   8   9.282  -7.036   2.642
   66    HA   GLU   8           HA       GLU   8  11.133  -7.460   4.807
   67   1HB   GLU   8          1HB       GLU   8   9.646  -9.141   5.002
   68   2HB   GLU   8          2HB       GLU   8   9.175  -9.046   3.315
   69   1HG   GLU   8          1HG       GLU   8  10.050 -11.189   3.584
   70   2HG   GLU   8          2HG       GLU   8  11.337 -10.278   2.799
   71    H    GLN   9           H        GLN   9  11.414  -7.112   1.445
   72    HA   GLN   9           HA       GLN   9  13.799  -8.766   1.233
   73   1HB   GLN   9          1HB       GLN   9  12.686  -6.942  -0.890
   74   2HB   GLN   9          2HB       GLN   9  13.734  -8.339  -1.101
   75   1HG   GLN   9          1HG       GLN   9  11.582  -9.465   0.110
   76   2HG   GLN   9          2HG       GLN   9  10.825  -8.183  -0.834
   77   1HE2  GLN   9          2HE2      GLN   9  12.250 -11.263  -0.892
   78   2HE2  GLN   9          1HE2      GLN   9  12.193 -11.520  -2.599
   79    H    SER  10           H        SER  10  13.312  -5.924   2.604
   80    HA   SER  10           HA       SER  10  16.019  -5.111   2.434
   81   1HB   SER  10          1HB       SER  10  15.160  -4.278   0.221
   82   2HB   SER  10          2HB       SER  10  14.071  -3.216   1.111
   83    HG   SER  10           HG       SER  10  16.513  -2.906   2.103
   84    H    GLY  11           H        GLY  11  12.700  -4.382   3.303
   85   1HA   GLY  11          1HA       GLY  11  11.914  -3.670   5.366
   86   2HA   GLY  11          2HA       GLY  11  13.573  -3.463   5.892
   87    H    GLU  12           H        GLU  12  12.710  -2.015   2.934
   88    HA   GLU  12           HA       GLU  12  11.551   0.370   3.633
   89   1HB   GLU  12          1HB       GLU  12  13.215   1.070   5.085
   90   2HB   GLU  12          2HB       GLU  12  14.501   0.345   4.129
   91   1HG   GLU  12          1HG       GLU  12  14.241   2.064   2.433
   92   2HG   GLU  12          2HG       GLU  12  12.908   2.777   3.339
   93    H    TYR  13           H        TYR  13  11.258   1.675   1.945
   94    HA   TYR  13           HA       TYR  13  12.888   1.445  -0.435
   95   1HB   TYR  13          1HB       TYR  13  10.040   0.547  -0.244
   96   2HB   TYR  13          2HB       TYR  13  10.751   1.032  -1.781
   97    HD1  TYR  13           HD1      TYR  13  11.132  -1.285   1.069
   98    HD2  TYR  13           HD2      TYR  13  12.067  -0.461  -2.989
   99    HE1  TYR  13           HE1      TYR  13  12.058  -3.566   0.833
  100    HE2  TYR  13           HE2      TYR  13  12.969  -2.716  -3.268
  101    HH   TYR  13           HH       TYR  13  14.059  -4.515  -1.281
  102    H    ALA  14           H        ALA  14  13.045   3.657   0.778
  103    HA   ALA  14           HA       ALA  14  11.073   5.578   0.754
  104   1HB   ALA  14          1HB       ALA  14  14.044   5.715   0.505
  105   2HB   ALA  14          2HB       ALA  14  13.087   7.183   0.304
  106   3HB   ALA  14          3HB       ALA  14  12.999   6.272   1.811
  107    H    VAL  15           H        VAL  15  10.174   6.937  -0.702
  108    HA   VAL  15           HA       VAL  15  11.215   7.224  -3.356
  109    HB   VAL  15           HB       VAL  15  10.074   4.968  -3.249
  110   1HG1  VAL  15          1HG1      VAL  15   7.618   6.698  -3.110
  111   2HG1  VAL  15          2HG1      VAL  15   7.612   5.047  -3.769
  112   3HG1  VAL  15          3HG1      VAL  15   8.084   5.324  -2.099
  113   1HG2  VAL  15          1HG2      VAL  15  10.108   6.977  -5.284
  114   2HG2  VAL  15          2HG2      VAL  15  10.312   5.234  -5.429
  115   3HG2  VAL  15          3HG2      VAL  15   8.693   5.934  -5.463
  116    H    ASP  16           H        ASP  16   8.736   7.778  -4.522
  117    HA   ASP  16           HA       ASP  16   7.456   9.867  -3.065
  118   1HB   ASP  16          1HB       ASP  16   8.675  10.582  -5.672
  119   2HB   ASP  16          2HB       ASP  16   8.102  11.650  -4.400
  120    H    ALA  17           H        ALA  17   5.745  10.780  -4.390
  121    HA   ALA  17           HA       ALA  17   5.000   9.134  -6.678
  122   1HB   ALA  17          1HB       ALA  17   4.163   8.576  -4.167
  123   2HB   ALA  17          2HB       ALA  17   2.845   9.604  -4.801
  124   3HB   ALA  17          3HB       ALA  17   3.315   8.124  -5.661
  125    H    GLN  18           H        GLN  18   2.544   9.967  -7.152
  126    HA   GLN  18           HA       GLN  18   2.486  12.883  -7.114
  127   1HB   GLN  18          1HB       GLN  18   2.171  11.333  -9.686
  128   2HB   GLN  18          2HB       GLN  18   2.180  13.080  -9.493
  129   1HG   GLN  18          1HG       GLN  18   4.546  12.862  -8.665
  130   2HG   GLN  18          2HG       GLN  18   4.484  11.180  -9.188
  131   1HE2  GLN  18          2HE2      GLN  18   2.882  11.620 -11.493
  132   2HE2  GLN  18          1HE2      GLN  18   3.859  12.435 -12.661
  133    H    ASP  19           H        ASP  19   0.477  13.601  -6.707
  134    HA   ASP  19           HA       ASP  19  -1.633  12.167  -5.915
  135   1HB   ASP  19          1HB       ASP  19  -1.889  14.620  -7.636
  136   2HB   ASP  19          2HB       ASP  19  -3.115  14.000  -6.544
  137    H    GLY  20           H        GLY  20  -2.385  10.382  -6.737
  138   1HA   GLY  20          1HA       GLY  20  -4.094   9.626  -8.375
  139   2HA   GLY  20          2HA       GLY  20  -3.074  10.357  -9.606
  140    H    GLN  21           H        GLN  21  -0.973   9.086  -7.392
  141    HA   GLN  21           HA       GLN  21  -0.816   6.566  -8.915
  142   1HB   GLN  21          1HB       GLN  21   1.341   8.165  -7.536
  143   2HB   GLN  21          2HB       GLN  21   1.590   6.554  -8.195
  144   1HG   GLN  21          1HG       GLN  21   1.393   7.274 -10.383
  145   2HG   GLN  21          2HG       GLN  21   0.518   8.732  -9.925
  146   1HE2  GLN  21          2HE2      GLN  21   3.173   8.065  -7.942
  147   2HE2  GLN  21          1HE2      GLN  21   4.273   9.193  -8.633
  148    H    SER  22           H        SER  22  -0.623   4.638  -7.840
  149    HA   SER  22           HA       SER  22  -1.445   4.672  -5.051
  150   1HB   SER  22          1HB       SER  22  -2.281   2.564  -5.421
  151   2HB   SER  22          2HB       SER  22  -2.236   3.109  -7.095
  152    HG   SER  22           HG       SER  22  -0.487   1.898  -7.464
  153    H    LEU  23           H        LEU  23  -0.419   2.818  -3.671
  154    HA   LEU  23           HA       LEU  23   2.450   3.355  -3.632
  155   1HB   LEU  23          1HB       LEU  23   0.620   1.869  -1.753
  156   2HB   LEU  23          2HB       LEU  23   2.362   1.890  -1.551
  157    HG   LEU  23           HG       LEU  23   1.775   3.586  -0.138
  158   1HD1  LEU  23          1HD1      LEU  23   3.113   4.376  -2.282
  159   2HD1  LEU  23          2HD1      LEU  23   1.686   5.391  -2.488
  160   3HD1  LEU  23          3HD1      LEU  23   2.641   5.496  -1.010
  161   1HD2  LEU  23          1HD2      LEU  23  -0.518   4.068  -2.008
  162   2HD2  LEU  23          2HD2      LEU  23  -0.551   3.623  -0.302
  163   3HD2  LEU  23          3HD2      LEU  23  -0.071   5.251  -0.780
  164    H    MET  24           H        MET  24   0.784   1.445  -5.484
  165    HA   MET  24           HA       MET  24   2.529  -0.897  -5.193
  166   1HB   MET  24          1HB       MET  24   0.867  -2.207  -6.039
  167   2HB   MET  24          2HB       MET  24  -0.152  -0.911  -5.433
  168   1HG   MET  24          1HG       MET  24  -0.999  -1.144  -7.530
  169   2HG   MET  24          2HG       MET  24   0.234   0.081  -7.832
  170   1HE   MET  24          1HE       MET  24  -0.815  -0.880 -10.042
  171   2HE   MET  24          2HE       MET  24   0.324  -1.746 -11.073
  172   3HE   MET  24          3HE       MET  24  -0.946  -2.629 -10.226
  173    H    GLU  25           H        GLU  25   1.670   1.799  -7.153
  174    HA   GLU  25           HA       GLU  25   3.199   0.877  -9.434
  175   1HB   GLU  25          1HB       GLU  25   1.134   2.166  -9.826
  176   2HB   GLU  25          2HB       GLU  25   1.820   3.525  -8.948
  177   1HG   GLU  25          1HG       GLU  25   3.737   3.168 -10.787
  178   2HG   GLU  25          2HG       GLU  25   2.340   2.579 -11.688
  179    H    VAL  26           H        VAL  26   3.497   3.307  -6.853
  180    HA   VAL  26           HA       VAL  26   5.815   4.505  -7.807
  181    HB   VAL  26           HB       VAL  26   6.025   3.876  -4.948
  182   1HG1  VAL  26          1HG1      VAL  26   7.260   5.517  -6.424
  183   2HG1  VAL  26          2HG1      VAL  26   5.818   6.514  -6.324
  184   3HG1  VAL  26          3HG1      VAL  26   6.698   6.101  -4.863
  185   1HG2  VAL  26          1HG2      VAL  26   3.552   4.031  -5.247
  186   2HG2  VAL  26          2HG2      VAL  26   4.302   5.197  -4.157
  187   3HG2  VAL  26          3HG2      VAL  26   3.815   5.693  -5.782
  188    H    ALA  27           H        ALA  27   5.419   1.805  -5.648
  189    HA   ALA  27           HA       ALA  27   7.739   0.783  -5.086
  190   1HB   ALA  27          1HB       ALA  27   5.222  -0.354  -5.459
  191   2HB   ALA  27          2HB       ALA  27   6.335  -1.380  -6.365
  192   3HB   ALA  27          3HB       ALA  27   6.606  -1.085  -4.644
  193    H    THR  28           H        THR  28   6.328  -0.497  -8.049
  194    HA   THR  28           HA       THR  28   8.607  -1.579  -9.096
  195    HB   THR  28           HB       THR  28   7.391  -2.015 -10.946
  196    HG1  THR  28           HG1      THR  28   7.657  -0.065 -11.941
  197   1HG2  THR  28          1HG2      THR  28   5.693  -2.111  -9.064
  198   2HG2  THR  28          2HG2      THR  28   5.082  -0.583  -9.699
  199   3HG2  THR  28          3HG2      THR  28   5.073  -2.027 -10.713
  200    H    GLN  29           H        GLN  29   7.589   1.757  -9.092
  201    HA   GLN  29           HA       GLN  29   9.637   2.591 -10.932
  202   1HB   GLN  29          1HB       GLN  29   7.742   4.097  -9.150
  203   2HB   GLN  29          2HB       GLN  29   9.025   4.917 -10.024
  204   1HG   GLN  29          1HG       GLN  29   6.812   3.285 -11.243
  205   2HG   GLN  29          2HG       GLN  29   6.930   5.044 -11.232
  206   1HE2  GLN  29          2HE2      GLN  29   9.264   5.730 -12.032
  207   2HE2  GLN  29          1HE2      GLN  29   9.706   5.041 -13.554
  208    H    ASN  30           H        ASN  30   9.294   2.259  -7.491
  209    HA   ASN  30           HA       ASN  30  11.826   3.562  -6.949
  210   1HB   ASN  30          1HB       ASN  30  10.614   2.042  -4.764
  211   2HB   ASN  30          2HB       ASN  30  11.076   3.726  -4.811
  212   1HD2  ASN  30          2HD2      ASN  30   8.625   2.300  -3.849
  213   2HD2  ASN  30          1HD2      ASN  30   7.324   3.050  -4.628
  214    H    GLY  31           H        GLY  31  11.148   0.721  -8.277
  215   1HA   GLY  31          1HA       GLY  31  12.397  -1.202  -8.568
  216   2HA   GLY  31          2HA       GLY  31  13.621  -0.505  -7.512
  217    H    VAL  32           H        VAL  32  10.492  -0.509  -6.248
  218    HA   VAL  32           HA       VAL  32  11.128  -2.154  -4.048
  219    HB   VAL  32           HB       VAL  32   8.425  -1.321  -4.982
  220   1HG1  VAL  32          1HG1      VAL  32   8.672  -2.943  -3.053
  221   2HG1  VAL  32          2HG1      VAL  32   9.309  -1.550  -2.151
  222   3HG1  VAL  32          3HG1      VAL  32   7.668  -1.498  -2.814
  223   1HG2  VAL  32          1HG2      VAL  32  10.524   0.280  -3.603
  224   2HG2  VAL  32          2HG2      VAL  32   9.545   0.694  -5.011
  225   3HG2  VAL  32          3HG2      VAL  32   8.809   0.641  -3.408
  226    HA   PRO  33           HA       PRO  33  10.009  -6.219  -5.393
  227   1HB   PRO  33          1HB       PRO  33   8.948  -7.042  -2.952
  228   2HB   PRO  33          2HB       PRO  33  10.657  -7.113  -3.383
  229   1HG   PRO  33          1HG       PRO  33   9.191  -5.074  -1.766
  230   2HG   PRO  33          2HG       PRO  33  10.817  -5.736  -1.531
  231   1HD   PRO  33          1HD       PRO  33  10.441  -3.311  -2.582
  232   2HD   PRO  33          2HD       PRO  33  11.742  -4.376  -3.144
  233    H    GLY  34           H        GLY  34   7.788  -7.546  -4.217
  234   1HA   GLY  34          1HA       GLY  34   5.584  -7.862  -4.835
  235   2HA   GLY  34          2HA       GLY  34   5.392  -6.368  -3.936
  236    H    ILE  35           H        ILE  35   7.241  -6.267  -6.879
  237    HA   ILE  35           HA       ILE  35   6.000  -4.225  -8.111
  238    HB   ILE  35           HB       ILE  35   6.585  -6.496  -9.943
  239   1HG1  ILE  35          1HG1      ILE  35   8.647  -5.215  -8.146
  240   2HG1  ILE  35          2HG1      ILE  35   8.311  -6.931  -8.350
  241   1HG2  ILE  35          1HG2      ILE  35   6.185  -3.870 -10.323
  242   2HG2  ILE  35          2HG2      ILE  35   7.939  -3.885 -10.156
  243   3HG2  ILE  35          3HG2      ILE  35   7.163  -4.869 -11.397
  244   1HD1  ILE  35          1HD1      ILE  35   9.064  -6.638 -10.752
  245   2HD1  ILE  35          2HD1      ILE  35   9.678  -5.063 -10.254
  246   3HD1  ILE  35          3HD1      ILE  35  10.308  -6.531  -9.507
  247    H    VAL  36           H        VAL  36   4.424  -4.090  -9.885
  248    HA   VAL  36           HA       VAL  36   1.911  -4.639  -9.427
  249    HB   VAL  36           HB       VAL  36   2.907  -3.669 -11.576
  250   1HG1  VAL  36          1HG1      VAL  36   3.903  -6.081 -12.043
  251   2HG1  VAL  36          2HG1      VAL  36   2.350  -6.293 -12.852
  252   3HG1  VAL  36          3HG1      VAL  36   3.437  -4.997 -13.353
  253   1HG2  VAL  36          1HG2      VAL  36   0.440  -4.060 -10.944
  254   2HG2  VAL  36          2HG2      VAL  36   0.836  -3.748 -12.634
  255   3HG2  VAL  36          3HG2      VAL  36   0.514  -5.396 -12.094
  256    H    ALA  37           H        ALA  37   0.556  -6.282  -9.099
  257    HA   ALA  37           HA       ALA  37   1.561  -8.974  -9.115
  258   1HB   ALA  37          1HB       ALA  37  -0.401  -7.606  -7.704
  259   2HB   ALA  37          2HB       ALA  37  -1.290  -8.773  -8.683
  260   3HB   ALA  37          3HB       ALA  37  -0.019  -9.324  -7.591
  261    H    GLU  38           H        GLU  38  -0.839 -10.352  -9.747
  262    HA   GLU  38           HA       GLU  38  -0.488 -10.682 -12.536
  263   1HB   GLU  38          1HB       GLU  38  -2.400 -12.258 -12.359
  264   2HB   GLU  38          2HB       GLU  38  -1.131 -12.565 -11.182
  265   1HG   GLU  38          1HG       GLU  38  -2.645 -11.022  -9.671
  266   2HG   GLU  38          2HG       GLU  38  -3.898 -11.579 -10.780
  267    H    CYS  39           H        CYS  39  -3.318  -9.525 -10.681
  268    HA   CYS  39           HA       CYS  39  -4.805  -8.757 -12.943
  269   1HB   CYS  39          1HB       CYS  39  -6.392  -8.036 -11.459
  270   2HB   CYS  39          2HB       CYS  39  -5.439  -9.031 -10.368
  271    H    GLY  40           H        GLY  40  -2.461  -7.062 -10.961
  272   1HA   GLY  40          1HA       GLY  40  -1.743  -4.840 -11.054
  273   2HA   GLY  40          2HA       GLY  40  -1.298  -5.407 -12.655
  274    H    GLY  41           H        GLY  41  -3.914  -3.854 -10.828
  275   1HA   GLY  41          1HA       GLY  41  -4.932  -1.833 -11.536
  276   2HA   GLY  41          2HA       GLY  41  -4.434  -2.186 -13.181
  277    H    SER  42           H        SER  42  -5.900  -4.730 -11.364
  278    HA   SER  42           HA       SER  42  -8.486  -4.205 -12.656
  279   1HB   SER  42          1HB       SER  42  -6.858  -6.034 -13.721
  280   2HB   SER  42          2HB       SER  42  -7.588  -7.036 -12.467
  281    HG   SER  42           HG       SER  42  -8.700  -6.981 -14.555
  282    H    CYS  43           H        CYS  43  -6.945  -4.550  -9.828
  283    HA   CYS  43           HA       CYS  43  -7.460  -5.405  -7.746
  284   1HB   CYS  43          1HB       CYS  43  -9.620  -4.503  -6.943
  285   2HB   CYS  43          2HB       CYS  43  -8.689  -3.310  -7.843
  286    HG   CYS  43           HG       CYS  43 -11.117  -4.776  -9.125
  287    H    VAL  44           H        VAL  44  -7.757  -7.409  -9.767
  288    HA   VAL  44           HA       VAL  44 -10.164  -8.864  -8.937
  289    HB   VAL  44           HB       VAL  44  -8.206  -9.507 -11.147
  290   1HG1  VAL  44          1HG1      VAL  44 -10.570 -10.906 -10.041
  291   2HG1  VAL  44          2HG1      VAL  44 -10.393 -10.884 -11.796
  292   3HG1  VAL  44          3HG1      VAL  44  -9.111 -11.558 -10.789
  293   1HG2  VAL  44          1HG2      VAL  44 -10.756  -7.967 -11.063
  294   2HG2  VAL  44          2HG2      VAL  44  -9.277  -7.646 -11.966
  295   3HG2  VAL  44          3HG2      VAL  44 -10.377  -8.918 -12.499
  296    H    CYS  45           H        CYS  45  -6.910  -8.638  -8.170
  297    HA   CYS  45           HA       CYS  45  -6.876 -11.389  -7.119
  298   1HB   CYS  45          1HB       CYS  45  -4.633 -11.585  -7.580
  299   2HB   CYS  45          2HB       CYS  45  -5.118 -10.519  -8.892
  300    H    ALA  46           H        ALA  46  -4.698 -11.100  -5.402
  301    HA   ALA  46           HA       ALA  46  -5.172  -8.893  -3.608
  302   1HB   ALA  46          1HB       ALA  46  -6.087 -11.667  -2.919
  303   2HB   ALA  46          2HB       ALA  46  -5.675 -10.486  -1.679
  304   3HB   ALA  46          3HB       ALA  46  -6.982 -10.152  -2.813
  305    H    THR  47           H        THR  47  -2.997 -10.376  -5.117
  306    HA   THR  47           HA       THR  47  -1.272 -11.317  -2.982
  307    HB   THR  47           HB       THR  47   0.263 -11.196  -5.285
  308    HG1  THR  47           HG1      THR  47  -1.078 -11.990  -6.910
  309   1HG2  THR  47          1HG2      THR  47  -1.092 -13.265  -3.758
  310   2HG2  THR  47          2HG2      THR  47  -0.861 -13.679  -5.456
  311   3HG2  THR  47          3HG2      THR  47   0.527 -13.241  -4.460
  312    H    CYS  48           H        CYS  48  -2.151  -8.357  -3.860
  313    HA   CYS  48           HA       CYS  48   0.512  -7.155  -3.885
  314   1HB   CYS  48          1HB       CYS  48  -0.814  -5.012  -4.191
  315   2HB   CYS  48          2HB       CYS  48  -0.949  -6.189  -5.493
  316    H    ARG  49           H        ARG  49  -0.181  -8.455  -1.502
  317    HA   ARG  49           HA       ARG  49  -1.353  -6.948   0.489
  318   1HB   ARG  49          1HB       ARG  49  -0.533  -9.313   0.678
  319   2HB   ARG  49          2HB       ARG  49   1.097  -8.677   0.856
  320   1HG   ARG  49          1HG       ARG  49   0.784  -8.321   3.019
  321   2HG   ARG  49          2HG       ARG  49  -0.678  -7.382   2.705
  322   1HD   ARG  49          1HD       ARG  49  -1.827  -9.654   2.386
  323   2HD   ARG  49          2HD       ARG  49  -0.402 -10.336   3.167
  324    HE   ARG  49           HE       ARG  49  -2.549  -8.976   4.434
  325   1HH1  ARG  49          1HH1      ARG  49   0.897  -9.458   4.585
  326   2HH1  ARG  49          2HH1      ARG  49   0.996  -9.151   6.287
  327   1HH2  ARG  49          1HH2      ARG  49  -2.432  -8.576   6.675
  328   2HH2  ARG  49          2HH2      ARG  49  -0.899  -8.650   7.476
  329    H    ILE  50           H        ILE  50  -0.961  -4.918   1.033
  330    HA   ILE  50           HA       ILE  50   1.763  -4.107   1.670
  331    HB   ILE  50           HB       ILE  50   0.066  -2.737  -0.408
  332   1HG1  ILE  50          1HG1      ILE  50   2.861  -2.770  -0.965
  333   2HG1  ILE  50          2HG1      ILE  50   2.391  -4.384  -0.441
  334   1HG2  ILE  50          1HG2      ILE  50   0.742  -1.059   1.257
  335   2HG2  ILE  50          2HG2      ILE  50   2.425  -1.535   1.035
  336   3HG2  ILE  50          3HG2      ILE  50   1.530  -0.808  -0.300
  337   1HD1  ILE  50          1HD1      ILE  50   0.397  -3.684  -2.201
  338   2HD1  ILE  50          2HD1      ILE  50   1.853  -3.002  -2.928
  339   3HD1  ILE  50          3HD1      ILE  50   1.780  -4.722  -2.547
  340    H    GLU  51           H        GLU  51   1.842  -2.263   3.080
  341    HA   GLU  51           HA       GLU  51  -0.743  -1.378   4.135
  342   1HB   GLU  51          1HB       GLU  51   1.466  -2.654   5.737
  343   2HB   GLU  51          2HB       GLU  51   0.204  -1.670   6.470
  344   1HG   GLU  51          1HG       GLU  51  -1.054  -3.474   6.597
  345   2HG   GLU  51          2HG       GLU  51  -1.121  -3.495   4.836
  346    H    ILE  52           H        ILE  52  -0.811   0.699   4.682
  347    HA   ILE  52           HA       ILE  52   1.346   2.455   4.066
  348    HB   ILE  52           HB       ILE  52  -1.224   2.939   5.584
  349   1HG1  ILE  52          1HG1      ILE  52  -1.263   2.183   3.115
  350   2HG1  ILE  52          2HG1      ILE  52  -2.195   3.610   3.562
  351   1HG2  ILE  52          1HG2      ILE  52   0.612   4.579   6.038
  352   2HG2  ILE  52          2HG2      ILE  52   0.565   5.007   4.329
  353   3HG2  ILE  52          3HG2      ILE  52  -0.853   5.272   5.344
  354   1HD1  ILE  52          1HD1      ILE  52  -0.406   5.034   2.750
  355   2HD1  ILE  52          2HD1      ILE  52   0.529   3.602   2.295
  356   3HD1  ILE  52          3HD1      ILE  52  -1.002   3.956   1.489
  357    H    GLU  53           H        GLU  53   2.679   3.723   5.555
  358    HA   GLU  53           HA       GLU  53   3.367   2.303   7.886
  359   1HB   GLU  53          1HB       GLU  53   5.021   3.826   8.122
  360   2HB   GLU  53          2HB       GLU  53   4.457   4.460   6.588
  361   1HG   GLU  53          1HG       GLU  53   4.378   6.388   7.710
  362   2HG   GLU  53          2HG       GLU  53   2.848   5.763   8.285
  363    H    ASP  54           H        ASP  54   3.024   3.125  10.222
  364    HA   ASP  54           HA       ASP  54   0.195   3.503  10.559
  365   1HB   ASP  54          1HB       ASP  54   2.308   2.432  12.113
  366   2HB   ASP  54          2HB       ASP  54   1.564   3.717  13.060
  367    H    ALA  55           H        ALA  55   1.886   5.768   9.556
  368    HA   ALA  55           HA       ALA  55   1.082   7.803  11.509
  369   1HB   ALA  55          1HB       ALA  55   3.564   7.550  10.753
  370   2HB   ALA  55          2HB       ALA  55   3.004   8.339   9.276
  371   3HB   ALA  55          3HB       ALA  55   2.842   9.156  10.831
  372    H    TRP  56           H        TRP  56   0.857   6.595   8.290
  373    HA   TRP  56           HA       TRP  56  -0.686   8.925   7.448
  374   1HB   TRP  56          1HB       TRP  56   0.589   6.765   5.814
  375   2HB   TRP  56          2HB       TRP  56  -0.193   8.214   5.194
  376    HD1  TRP  56           HD1      TRP  56   2.653   7.352   7.614
  377    HE1  TRP  56           HE1      TRP  56   4.457   9.150   7.411
  378    HE3  TRP  56           HE3      TRP  56   0.336  10.291   4.172
  379    HZ2  TRP  56           HZ2      TRP  56   4.855  11.518   5.939
  380    HZ3  TRP  56           HZ3      TRP  56   1.537  12.299   3.373
  381    HH2  TRP  56           HH2      TRP  56   3.718  12.900   4.229
  382    H    VAL  57           H        VAL  57  -1.472   6.033   8.697
  383    HA   VAL  57           HA       VAL  57  -3.303   5.102   6.758
  384    HB   VAL  57           HB       VAL  57  -3.475   4.791   9.753
  385   1HG1  VAL  57          1HG1      VAL  57  -5.477   4.305   8.320
  386   2HG1  VAL  57          2HG1      VAL  57  -4.525   3.026   7.568
  387   3HG1  VAL  57          3HG1      VAL  57  -4.888   2.951   9.294
  388   1HG2  VAL  57          1HG2      VAL  57  -1.316   4.196   8.580
  389   2HG2  VAL  57          2HG2      VAL  57  -2.077   2.924   9.548
  390   3HG2  VAL  57          3HG2      VAL  57  -2.228   2.915   7.788
  391    H    GLU  58           H        GLU  58  -3.379   7.374   9.384
  392    HA   GLU  58           HA       GLU  58  -6.185   7.960   9.041
  393   1HB   GLU  58          1HB       GLU  58  -4.011   9.195  10.737
  394   2HB   GLU  58          2HB       GLU  58  -5.639   9.857  10.662
  395   1HG   GLU  58          1HG       GLU  58  -6.576   7.964  11.677
  396   2HG   GLU  58          2HG       GLU  58  -5.125   6.998  11.405
  397    H    ILE  59           H        ILE  59  -3.463   8.561   7.340
  398    HA   ILE  59           HA       ILE  59  -4.305  11.241   6.413
  399    HB   ILE  59           HB       ILE  59  -1.710   9.756   6.254
  400   1HG1  ILE  59          1HG1      ILE  59  -1.943  12.645   6.796
  401   2HG1  ILE  59          2HG1      ILE  59  -2.538  11.548   8.038
  402   1HG2  ILE  59          1HG2      ILE  59  -2.783  11.657   4.295
  403   2HG2  ILE  59          2HG2      ILE  59  -1.150  12.000   4.867
  404   3HG2  ILE  59          3HG2      ILE  59  -1.518  10.441   4.126
  405   1HD1  ILE  59          1HD1      ILE  59   0.057  10.804   6.991
  406   2HD1  ILE  59          2HD1      ILE  59   0.035  12.403   7.738
  407   3HD1  ILE  59          3HD1      ILE  59  -0.490  10.996   8.658
  408    H    VAL  60           H        VAL  60  -3.608   7.973   5.502
  409    HA   VAL  60           HA       VAL  60  -4.028   8.424   2.684
  410    HB   VAL  60           HB       VAL  60  -3.420   5.970   4.316
  411   1HG1  VAL  60          1HG1      VAL  60  -3.866   6.246   1.354
  412   2HG1  VAL  60          2HG1      VAL  60  -2.962   4.909   2.065
  413   3HG1  VAL  60          3HG1      VAL  60  -4.663   5.143   2.482
  414   1HG2  VAL  60          1HG2      VAL  60  -1.753   7.997   3.690
  415   2HG2  VAL  60          2HG2      VAL  60  -1.240   6.314   3.851
  416   3HG2  VAL  60          3HG2      VAL  60  -1.568   6.981   2.254
  417    H    GLY  61           H        GLY  61  -5.458   6.253   5.110
  418   1HA   GLY  61          1HA       GLY  61  -7.534   5.199   5.089
  419   2HA   GLY  61          2HA       GLY  61  -8.133   6.769   4.546
  420    H    GLU  62           H        GLU  62  -6.370   3.966   3.342
  421    HA   GLU  62           HA       GLU  62  -6.582   4.311   0.663
  422   1HB   GLU  62          1HB       GLU  62  -6.598   1.810   2.327
  423   2HB   GLU  62          2HB       GLU  62  -6.556   1.749   0.572
  424   1HG   GLU  62          1HG       GLU  62  -4.528   3.342   0.819
  425   2HG   GLU  62          2HG       GLU  62  -4.493   2.752   2.480
  426    H    ALA  63           H        ALA  63  -8.306   1.463   0.906
  427    HA   ALA  63           HA       ALA  63 -10.548   2.707  -0.334
  428   1HB   ALA  63          1HB       ALA  63  -9.456   0.007  -0.232
  429   2HB   ALA  63          2HB       ALA  63 -11.221   0.075  -0.227
  430   3HB   ALA  63          3HB       ALA  63 -10.311   0.834  -1.536
  431    H    ASN  64           H        ASN  64 -12.673   1.292   0.206
  432    HA   ASN  64           HA       ASN  64 -13.371   2.074   2.895
  433   1HB   ASN  64          1HB       ASN  64 -15.657   1.072   1.747
  434   2HB   ASN  64          2HB       ASN  64 -15.172   2.758   1.701
  435   1HD2  ASN  64          2HD2      ASN  64 -14.381  -0.247  -0.019
  436   2HD2  ASN  64          1HD2      ASN  64 -14.518   0.426  -1.605
  437    HA   PRO  65           HA       PRO  65 -13.907  -1.877   4.709
  438   1HB   PRO  65          1HB       PRO  65 -16.834  -1.599   4.925
  439   2HB   PRO  65          2HB       PRO  65 -15.617  -1.675   6.202
  440   1HG   PRO  65          1HG       PRO  65 -16.893   0.613   5.628
  441   2HG   PRO  65          2HG       PRO  65 -15.184   0.602   6.107
  442   1HD   PRO  65          1HD       PRO  65 -16.375   0.826   3.363
  443   2HD   PRO  65          2HD       PRO  65 -15.026   1.740   4.066
  444    H    ASP  66           H        ASP  66 -15.268  -1.312   1.713
  445    HA   ASP  66           HA       ASP  66 -16.522  -3.924   1.438
  446   1HB   ASP  66          1HB       ASP  66 -16.059  -1.877  -0.737
  447   2HB   ASP  66          2HB       ASP  66 -17.221  -3.201  -0.733
  448    H    GLU  67           H        GLU  67 -13.865  -2.107  -0.093
  449    HA   GLU  67           HA       GLU  67 -12.836  -4.245  -1.604
  450   1HB   GLU  67          1HB       GLU  67 -11.188  -2.016  -0.405
  451   2HB   GLU  67          2HB       GLU  67 -10.864  -2.920  -1.878
  452   1HG   GLU  67          1HG       GLU  67 -13.413  -1.438  -1.768
  453   2HG   GLU  67          2HG       GLU  67 -11.937  -0.479  -1.862
  454    H    ASN  68           H        ASN  68 -12.652  -3.437   1.734
  455    HA   ASN  68           HA       ASN  68 -10.480  -5.297   2.283
  456   1HB   ASN  68          1HB       ASN  68 -10.369  -3.321   3.595
  457   2HB   ASN  68          2HB       ASN  68 -12.081  -3.399   3.995
  458   1HD2  ASN  68          2HD2      ASN  68  -9.582  -5.900   4.099
  459   2HD2  ASN  68          1HD2      ASN  68  -9.734  -6.225   5.789
  460    H    ASP  69           H        ASP  69 -13.950  -5.092   2.463
  461    HA   ASP  69           HA       ASP  69 -14.533  -7.106   4.279
  462   1HB   ASP  69          1HB       ASP  69 -16.295  -5.721   3.374
  463   2HB   ASP  69          2HB       ASP  69 -15.988  -6.319   1.746
  464    H    LEU  70           H        LEU  70 -13.950  -7.352   0.785
  465    HA   LEU  70           HA       LEU  70 -14.351 -10.059   0.430
  466   1HB   LEU  70          1HB       LEU  70 -12.703  -9.896  -1.428
  467   2HB   LEU  70          2HB       LEU  70 -13.939  -8.652  -1.460
  468    HG   LEU  70           HG       LEU  70 -12.014  -7.340  -0.103
  469   1HD1  LEU  70          1HD1      LEU  70 -10.713  -9.629  -1.288
  470   2HD1  LEU  70          2HD1      LEU  70 -10.058  -8.116  -1.914
  471   3HD1  LEU  70          3HD1      LEU  70 -10.075  -8.419  -0.177
  472   1HD2  LEU  70          1HD2      LEU  70 -13.236  -7.161  -2.560
  473   2HD2  LEU  70          2HD2      LEU  70 -12.119  -5.982  -1.872
  474   3HD2  LEU  70          3HD2      LEU  70 -11.522  -7.225  -2.971
  475    H    LEU  71           H        LEU  71 -11.514  -8.384   1.696
  476    HA   LEU  71           HA       LEU  71  -9.885 -10.725   1.872
  477   1HB   LEU  71          1HB       LEU  71  -9.707  -7.908   2.816
  478   2HB   LEU  71          2HB       LEU  71  -8.714  -9.094   3.639
  479    HG   LEU  71           HG       LEU  71  -8.536  -8.104   0.825
  480   1HD1  LEU  71          1HD1      LEU  71  -6.793  -8.331   3.212
  481   2HD1  LEU  71          2HD1      LEU  71  -6.036  -8.454   1.624
  482   3HD1  LEU  71          3HD1      LEU  71  -6.964  -7.016   2.050
  483   1HD2  LEU  71          1HD2      LEU  71  -7.921 -10.857   1.774
  484   2HD2  LEU  71          2HD2      LEU  71  -8.521 -10.309   0.209
  485   3HD2  LEU  71          3HD2      LEU  71  -6.822 -10.089   0.628
  486    H    GLN  72           H        GLN  72 -11.949  -8.938   4.104
  487    HA   GLN  72           HA       GLN  72 -11.326 -10.230   6.477
  488   1HB   GLN  72          1HB       GLN  72 -13.825  -8.931   5.447
  489   2HB   GLN  72          2HB       GLN  72 -13.828  -9.730   7.013
  490   1HG   GLN  72          1HG       GLN  72 -11.554  -7.992   6.781
  491   2HG   GLN  72          2HG       GLN  72 -13.045  -7.116   6.434
  492   1HE2  GLN  72          2HE2      GLN  72 -11.081  -8.524   8.831
  493   2HE2  GLN  72          1HE2      GLN  72 -12.096  -8.196  10.190
  494    H    SER  73           H        SER  73 -13.546 -11.210   3.913
  495    HA   SER  73           HA       SER  73 -14.800 -13.342   5.182
  496   1HB   SER  73          1HB       SER  73 -15.742 -13.716   3.161
  497   2HB   SER  73          2HB       SER  73 -14.912 -12.237   2.681
  498    HG   SER  73           HG       SER  73 -14.461 -14.812   1.918
  499    H    THR  74           H        THR  74 -11.587 -13.095   3.890
  500    HA   THR  74           HA       THR  74 -10.895 -15.707   3.393
  501    HB   THR  74           HB       THR  74  -8.605 -15.082   3.888
  502    HG1  THR  74           HG1      THR  74  -8.099 -13.503   5.214
  503   1HG2  THR  74          1HG2      THR  74 -10.320 -13.123   2.488
  504   2HG2  THR  74          2HG2      THR  74  -8.665 -12.641   2.867
  505   3HG2  THR  74          3HG2      THR  74  -8.964 -14.081   1.893
  506    H    GLY  75           H        GLY  75 -10.778 -14.038   6.535
  507   1HA   GLY  75          1HA       GLY  75 -11.690 -15.487   8.397
  508   2HA   GLY  75          2HA       GLY  75 -10.539 -16.685   7.823
  509    H    GLU  76           H        GLU  76  -8.516 -14.633   7.230
  510    HA   GLU  76           HA       GLU  76  -7.612 -14.183   9.990
  511   1HB   GLU  76          1HB       GLU  76  -6.176 -14.707   7.413
  512   2HB   GLU  76          2HB       GLU  76  -5.352 -13.834   8.698
  513   1HG   GLU  76          1HG       GLU  76  -6.386 -15.971  10.040
  514   2HG   GLU  76          2HG       GLU  76  -6.005 -16.670   8.467
  515    HA   PRO  77           HA       PRO  77  -8.353  -9.852   9.244
  516   1HB   PRO  77          1HB       PRO  77  -7.105  -8.943  11.497
  517   2HB   PRO  77          2HB       PRO  77  -8.734  -9.630  11.491
  518   1HG   PRO  77          1HG       PRO  77  -6.133 -10.931  12.201
  519   2HG   PRO  77          2HG       PRO  77  -7.703 -11.046  13.019
  520   1HD   PRO  77          1HD       PRO  77  -6.808 -12.985  11.379
  521   2HD   PRO  77          2HD       PRO  77  -8.531 -12.570  11.489
  522    H    MET  78           H        MET  78  -6.755  -7.813   9.847
  523    HA   MET  78           HA       MET  78  -4.178  -8.415   8.555
  524   1HB   MET  78          1HB       MET  78  -5.825  -5.916   8.142
  525   2HB   MET  78          2HB       MET  78  -4.310  -6.318   7.345
  526   1HG   MET  78          1HG       MET  78  -5.310  -8.030   6.080
  527   2HG   MET  78          2HG       MET  78  -6.765  -8.019   7.075
  528   1HE   MET  78          1HE       MET  78  -8.233  -5.800   7.323
  529   2HE   MET  78          2HE       MET  78  -6.946  -4.598   7.230
  530   3HE   MET  78          3HE       MET  78  -8.303  -4.524   6.107
  531    H    THR  79           H        THR  79  -3.056  -5.903   8.699
  532    HA   THR  79           HA       THR  79  -2.736  -5.582  11.605
  533    HB   THR  79           HB       THR  79  -0.514  -4.916  11.238
  534    HG1  THR  79           HG1      THR  79  -0.720  -4.806   8.460
  535   1HG2  THR  79          1HG2      THR  79  -1.313  -7.331  10.170
  536   2HG2  THR  79          2HG2      THR  79  -0.299  -6.618   8.914
  537   3HG2  THR  79          3HG2      THR  79   0.339  -6.837  10.544
  538    H    ALA  80           H        ALA  80  -1.368  -3.105  11.478
  539    HA   ALA  80           HA       ALA  80  -3.646  -1.336  11.273
  540   1HB   ALA  80          1HB       ALA  80  -0.850  -1.046  12.304
  541   2HB   ALA  80          2HB       ALA  80  -1.864   0.374  12.037
  542   3HB   ALA  80          3HB       ALA  80  -2.380  -0.881  13.165
  543    H    GLY  81           H        GLY  81  -4.076   0.042   9.655
  544   1HA   GLY  81          1HA       GLY  81  -3.764   1.355   7.785
  545   2HA   GLY  81          2HA       GLY  81  -2.033   1.123   7.970
  546    H    THR  82           H        THR  82  -3.750  -1.786   7.913
  547    HA   THR  82           HA       THR  82  -2.579  -2.523   5.408
  548    HB   THR  82           HB       THR  82  -4.615  -4.274   6.661
  549    HG1  THR  82           HG1      THR  82  -2.375  -3.281   7.999
  550   1HG2  THR  82          1HG2      THR  82  -2.585  -4.643   4.861
  551   2HG2  THR  82          2HG2      THR  82  -1.907  -5.259   6.366
  552   3HG2  THR  82          3HG2      THR  82  -3.426  -5.910   5.754
  553    H    ARG  83           H        ARG  83  -3.438  -2.312   3.460
  554    HA   ARG  83           HA       ARG  83  -6.156  -2.840   2.876
  555   1HB   ARG  83          1HB       ARG  83  -5.408  -0.063   3.478
  556   2HB   ARG  83          2HB       ARG  83  -6.256  -0.269   1.952
  557   1HG   ARG  83          1HG       ARG  83  -7.695  -1.803   3.767
  558   2HG   ARG  83          2HG       ARG  83  -7.275  -0.333   4.648
  559   1HD   ARG  83          1HD       ARG  83  -8.280  -0.062   1.869
  560   2HD   ARG  83          2HD       ARG  83  -9.437  -0.493   3.124
  561    HE   ARG  83           HE       ARG  83  -8.400   2.077   2.660
  562   1HH1  ARG  83          1HH1      ARG  83  -9.026  -0.126   5.290
  563   2HH1  ARG  83          2HH1      ARG  83  -9.280   1.130   6.456
  564   1HH2  ARG  83          1HH2      ARG  83  -8.740   3.739   4.196
  565   2HH2  ARG  83          2HH2      ARG  83  -9.115   3.327   5.835
  566    H    LEU  84           H        LEU  84  -6.628  -2.701   0.603
  567    HA   LEU  84           HA       LEU  84  -4.672  -3.578  -1.085
  568   1HB   LEU  84          1HB       LEU  84  -7.171  -2.010  -1.674
  569   2HB   LEU  84          2HB       LEU  84  -6.132  -2.609  -2.953
  570    HG   LEU  84           HG       LEU  84  -7.454  -4.361  -0.881
  571   1HD1  LEU  84          1HD1      LEU  84  -8.442  -3.218  -3.376
  572   2HD1  LEU  84          2HD1      LEU  84  -8.578  -4.973  -3.296
  573   3HD1  LEU  84          3HD1      LEU  84  -9.319  -3.974  -2.046
  574   1HD2  LEU  84          1HD2      LEU  84  -5.962  -5.001  -3.423
  575   2HD2  LEU  84          2HD2      LEU  84  -5.426  -5.332  -1.776
  576   3HD2  LEU  84          3HD2      LEU  84  -6.830  -6.173  -2.431
  577    H    SER  85           H        SER  85  -2.947  -2.727  -2.050
  578    HA   SER  85           HA       SER  85  -2.440   0.118  -1.743
  579   1HB   SER  85          1HB       SER  85  -0.394  -0.709  -1.332
  580   2HB   SER  85          2HB       SER  85  -0.827  -2.286  -1.991
  581    HG   SER  85           HG       SER  85  -0.135  -0.030  -3.565
  582    H    CYS  86           H        CYS  86  -3.071  -2.214  -4.284
  583    HA   CYS  86           HA       CYS  86  -2.475  -0.298  -6.379
  584   1HB   CYS  86          1HB       CYS  86  -2.664  -2.046  -7.881
  585   2HB   CYS  86          2HB       CYS  86  -2.148  -2.895  -6.429
  586    H    GLN  87           H        GLN  87  -4.721   0.063  -4.377
  587    HA   GLN  87           HA       GLN  87  -6.839   0.510  -6.369
  588   1HB   GLN  87          1HB       GLN  87  -6.947  -0.975  -3.868
  589   2HB   GLN  87          2HB       GLN  87  -8.160   0.295  -3.941
  590   1HG   GLN  87          1HG       GLN  87  -7.822  -1.548  -6.259
  591   2HG   GLN  87          2HG       GLN  87  -8.695  -2.092  -4.828
  592   1HE2  GLN  87          2HE2      GLN  87  -9.908  -1.897  -7.298
  593   2HE2  GLN  87          1HE2      GLN  87 -11.081  -0.629  -7.259
  594    H    VAL  88           H        VAL  88  -4.776   1.886  -4.058
  595    HA   VAL  88           HA       VAL  88  -6.516   4.232  -3.800
  596    HB   VAL  88           HB       VAL  88  -4.139   3.490  -2.101
  597   1HG1  VAL  88          1HG1      VAL  88  -6.054   5.729  -2.205
  598   2HG1  VAL  88          2HG1      VAL  88  -5.571   5.154  -0.610
  599   3HG1  VAL  88          3HG1      VAL  88  -4.352   5.708  -1.755
  600   1HG2  VAL  88          1HG2      VAL  88  -6.511   2.135  -2.140
  601   2HG2  VAL  88          2HG2      VAL  88  -5.439   2.257  -0.750
  602   3HG2  VAL  88          3HG2      VAL  88  -6.814   3.349  -0.899
  603    H    PHE  89           H        PHE  89  -5.375   6.347  -3.862
  604    HA   PHE  89           HA       PHE  89  -2.798   6.278  -5.203
  605   1HB   PHE  89          1HB       PHE  89  -5.192   7.611  -6.457
  606   2HB   PHE  89          2HB       PHE  89  -3.547   7.584  -7.096
  607    HD1  PHE  89           HD1      PHE  89  -6.554   5.606  -6.452
  608    HD2  PHE  89           HD2      PHE  89  -2.626   5.623  -8.098
  609    HE1  PHE  89           HE1      PHE  89  -7.020   3.460  -7.557
  610    HE2  PHE  89           HE2      PHE  89  -3.080   3.466  -9.215
  611    HZ   PHE  89           HZ       PHE  89  -5.284   2.382  -8.948
  612    H    ILE  90           H        ILE  90  -1.580   8.031  -5.088
  613    HA   ILE  90           HA       ILE  90  -1.611   9.675  -2.936
  614    HB   ILE  90           HB       ILE  90  -0.424  10.056  -5.672
  615   1HG1  ILE  90          1HG1      ILE  90   0.101   8.194  -3.764
  616   2HG1  ILE  90          2HG1      ILE  90   1.272   8.756  -4.951
  617   1HG2  ILE  90          1HG2      ILE  90   0.024  11.647  -3.169
  618   2HG2  ILE  90          2HG2      ILE  90   1.201  11.549  -4.477
  619   3HG2  ILE  90          3HG2      ILE  90  -0.391  12.239  -4.773
  620   1HD1  ILE  90          1HD1      ILE  90   2.015  10.475  -3.300
  621   2HD1  ILE  90          2HD1      ILE  90   0.944   9.702  -2.124
  622   3HD1  ILE  90          3HD1      ILE  90   2.294   8.797  -2.802
  623    H    ASP  91           H        ASP  91  -1.748  12.037  -2.829
  624    HA   ASP  91           HA       ASP  91  -3.160  13.686  -4.558
  625   1HB   ASP  91          1HB       ASP  91  -5.365  13.458  -3.950
  626   2HB   ASP  91          2HB       ASP  91  -4.869  11.877  -3.369
  627    HA   PRO  92           HA       PRO  92  -1.441  16.523  -1.588
  628   1HB   PRO  92          1HB       PRO  92  -3.932  18.105  -1.409
  629   2HB   PRO  92          2HB       PRO  92  -2.346  18.581  -2.030
  630   1HG   PRO  92          1HG       PRO  92  -4.421  18.184  -3.682
  631   2HG   PRO  92          2HG       PRO  92  -2.771  17.723  -4.145
  632   1HD   PRO  92          1HD       PRO  92  -4.999  15.999  -3.117
  633   2HD   PRO  92          2HD       PRO  92  -3.865  15.684  -4.449
  634    H    SER  93           H        SER  93  -2.500  14.260  -0.490
  635    HA   SER  93           HA       SER  93  -3.281  15.125   2.182
  636   1HB   SER  93          1HB       SER  93  -5.222  13.935   2.195
  637   2HB   SER  93          2HB       SER  93  -5.101  14.032   0.432
  638    HG   SER  93           HG       SER  93  -5.372  11.872   1.460
  639    H    MET  94           H        MET  94  -2.050  12.660   0.009
  640    HA   MET  94           HA       MET  94  -0.663  11.308   2.210
  641   1HB   MET  94          1HB       MET  94  -1.639  10.350  -0.482
  642   2HB   MET  94          2HB       MET  94  -0.520   9.423   0.497
  643   1HG   MET  94          1HG       MET  94  -2.106   8.950   2.098
  644   2HG   MET  94          2HG       MET  94  -3.099  10.339   1.671
  645   1HE   MET  94          1HE       MET  94  -1.357   7.476   0.158
  646   2HE   MET  94          2HE       MET  94  -2.641   6.302  -0.132
  647   3HE   MET  94          3HE       MET  94  -2.163   7.418  -1.411
  648    H    ASP  95           H        ASP  95   0.427  13.639   1.255
  649    HA   ASP  95           HA       ASP  95   2.337  12.987  -0.742
  650   1HB   ASP  95          1HB       ASP  95   2.414  15.577   0.709
  651   2HB   ASP  95          2HB       ASP  95   2.608  15.269  -1.001
  652    H    GLY  96           H        GLY  96   4.328  12.279  -0.292
  653   1HA   GLY  96          1HA       GLY  96   6.265  11.910   0.957
  654   2HA   GLY  96          2HA       GLY  96   5.639  13.024   2.169
  655    H    LEU  97           H        LEU  97   3.721  10.455   0.883
  656    HA   LEU  97           HA       LEU  97   3.168   9.446   3.467
  657   1HB   LEU  97          1HB       LEU  97   1.434   8.360   2.528
  658   2HB   LEU  97          2HB       LEU  97   1.739   9.519   1.250
  659    HG   LEU  97           HG       LEU  97   3.346   7.280   0.665
  660   1HD1  LEU  97          1HD1      LEU  97   1.828   6.107   2.302
  661   2HD1  LEU  97          2HD1      LEU  97   0.507   6.430   1.180
  662   3HD1  LEU  97          3HD1      LEU  97   1.869   5.430   0.676
  663   1HD2  LEU  97          1HD2      LEU  97   2.293   8.839  -0.911
  664   2HD2  LEU  97          2HD2      LEU  97   1.929   7.160  -1.304
  665   3HD2  LEU  97          3HD2      LEU  97   0.714   8.164  -0.512
  666    H    ILE  98           H        ILE  98   3.508   7.437   4.326
  667    HA   ILE  98           HA       ILE  98   5.875   6.079   3.254
  668    HB   ILE  98           HB       ILE  98   4.974   6.172   6.110
  669   1HG1  ILE  98          1HG1      ILE  98   6.954   7.571   6.493
  670   2HG1  ILE  98          2HG1      ILE  98   7.306   7.537   4.766
  671   1HG2  ILE  98          1HG2      ILE  98   6.507   4.252   4.883
  672   2HG2  ILE  98          2HG2      ILE  98   7.701   5.334   5.600
  673   3HG2  ILE  98          3HG2      ILE  98   6.460   4.597   6.612
  674   1HD1  ILE  98          1HD1      ILE  98   4.609   8.363   5.370
  675   2HD1  ILE  98          2HD1      ILE  98   5.831   9.437   6.053
  676   3HD1  ILE  98          3HD1      ILE  98   5.807   9.104   4.321
  677    H    VAL  99           H        VAL  99   5.689   4.048   2.633
  678    HA   VAL  99           HA       VAL  99   3.250   2.669   3.343
  679    HB   VAL  99           HB       VAL  99   4.989   1.381   1.389
  680   1HG1  VAL  99          1HG1      VAL  99   2.161   1.770   2.114
  681   2HG1  VAL  99          2HG1      VAL  99   2.497   1.586   0.381
  682   3HG1  VAL  99          3HG1      VAL  99   2.995   0.328   1.515
  683   1HG2  VAL  99          1HG2      VAL  99   3.549   3.978   0.823
  684   2HG2  VAL  99          2HG2      VAL  99   5.289   3.711   0.740
  685   3HG2  VAL  99          3HG2      VAL  99   4.216   2.899  -0.401
  686    H    ARG 100           H        ARG 100   3.680   0.113   3.286
  687    HA   ARG 100           HA       ARG 100   6.087  -0.729   4.623
  688   1HB   ARG 100          1HB       ARG 100   3.621  -0.096   6.156
  689   2HB   ARG 100          2HB       ARG 100   4.447  -1.585   6.583
  690   1HG   ARG 100          1HG       ARG 100   5.963   0.984   6.425
  691   2HG   ARG 100          2HG       ARG 100   5.004   0.597   7.846
  692   1HD   ARG 100          1HD       ARG 100   6.762  -1.558   6.894
  693   2HD   ARG 100          2HD       ARG 100   7.592  -0.123   7.497
  694    HE   ARG 100           HE       ARG 100   6.182  -2.063   9.041
  695   1HH1  ARG 100          1HH1      ARG 100   7.055   1.307   8.891
  696   2HH1  ARG 100          2HH1      ARG 100   6.938   1.546  10.602
  697   1HH2  ARG 100          1HH2      ARG 100   6.023  -1.754  11.294
  698   2HH2  ARG 100          2HH2      ARG 100   6.352  -0.193  11.968
  699    H    VAL 101           H        VAL 101   6.316  -2.982   4.628
  700    HA   VAL 101           HA       VAL 101   3.999  -4.589   3.825
  701    HB   VAL 101           HB       VAL 101   6.643  -5.112   2.516
  702   1HG1  VAL 101          1HG1      VAL 101   3.791  -5.837   1.942
  703   2HG1  VAL 101          2HG1      VAL 101   5.089  -6.064   0.769
  704   3HG1  VAL 101          3HG1      VAL 101   5.141  -6.909   2.315
  705   1HG2  VAL 101          1HG2      VAL 101   5.560  -2.713   2.133
  706   2HG2  VAL 101          2HG2      VAL 101   6.357  -3.613   0.844
  707   3HG2  VAL 101          3HG2      VAL 101   4.598  -3.632   0.977
  708    HA   PRO 102           HA       PRO 102   6.414  -6.551   7.238
  709   1HB   PRO 102          1HB       PRO 102   4.319  -7.071   8.835
  710   2HB   PRO 102          2HB       PRO 102   5.075  -5.474   8.777
  711   1HG   PRO 102          1HG       PRO 102   2.580  -6.437   7.431
  712   2HG   PRO 102          2HG       PRO 102   2.871  -4.910   8.285
  713   1HD   PRO 102          1HD       PRO 102   2.949  -5.145   5.568
  714   2HD   PRO 102          2HD       PRO 102   3.899  -3.948   6.470
  715    H    LEU 103           H        LEU 103   5.801  -8.704   8.410
  716    HA   LEU 103           HA       LEU 103   5.396 -10.662   6.338
  717   1HB   LEU 103          1HB       LEU 103   5.519 -11.554   9.147
  718   2HB   LEU 103          2HB       LEU 103   6.384 -12.143   7.741
  719    HG   LEU 103           HG       LEU 103   7.066  -9.705   9.383
  720   1HD1  LEU 103          1HD1      LEU 103   8.205 -12.457   9.115
  721   2HD1  LEU 103          2HD1      LEU 103   9.243 -11.102   9.560
  722   3HD1  LEU 103          3HD1      LEU 103   7.861 -11.524  10.572
  723   1HD2  LEU 103          1HD2      LEU 103   7.813 -10.495   6.660
  724   2HD2  LEU 103          2HD2      LEU 103   7.900  -8.921   7.452
  725   3HD2  LEU 103          3HD2      LEU 103   9.173 -10.112   7.714
  726    HA   PRO 104           HA       PRO 104   0.984 -10.995   6.815
  727   1HB   PRO 104          1HB       PRO 104   1.535 -13.717   5.740
  728   2HB   PRO 104          2HB       PRO 104   0.385 -12.497   5.180
  729   1HG   PRO 104          1HG       PRO 104   2.636 -12.949   3.839
  730   2HG   PRO 104          2HG       PRO 104   2.014 -11.300   4.037
  731   1HD   PRO 104          1HD       PRO 104   4.273 -12.656   5.447
  732   2HD   PRO 104          2HD       PRO 104   4.127 -10.969   4.909
  733    H    ALA 105           H        ALA 105   0.740 -11.108   9.043
  734    HA   ALA 105           HA       ALA 105   0.512 -13.819  10.116
  735   1HB   ALA 105          1HB       ALA 105   2.632 -12.125  10.801
  736   2HB   ALA 105          2HB       ALA 105   1.524 -12.085  12.172
  737   3HB   ALA 105          3HB       ALA 105   2.156 -13.625  11.595
  Start of MODEL    3
    1   2H    PRO   1          2H        PRO   1   4.218  14.960  -5.372
    2   1H    PRO   1          1H        PRO   1   4.943  13.494  -5.578
    3    HA   PRO   1           HA       PRO   1   4.831  15.037  -3.394
    4   1HB   PRO   1          1HB       PRO   1   3.769  12.398  -2.595
    5   2HB   PRO   1          2HB       PRO   1   3.474  13.980  -1.906
    6   1HG   PRO   1          1HG       PRO   1   1.609  12.902  -3.318
    7   2HG   PRO   1          2HG       PRO   1   2.010  14.606  -3.595
    8   1HD   PRO   1          1HD       PRO   1   2.982  12.198  -5.127
    9   2HD   PRO   1          2HD       PRO   1   2.177  13.634  -5.763
   10    H    ARG   2           H        ARG   2   5.527  13.270  -1.510
   11    HA   ARG   2           HA       ARG   2   7.887  11.865  -2.642
   12   1HB   ARG   2          1HB       ARG   2   8.893  13.535  -1.380
   13   2HB   ARG   2          2HB       ARG   2   7.575  13.594  -0.218
   14   1HG   ARG   2          1HG       ARG   2   8.329  11.592   0.845
   15   2HG   ARG   2          2HG       ARG   2   9.530  11.316  -0.419
   16   1HD   ARG   2          1HD       ARG   2  11.006  12.658   0.574
   17   2HD   ARG   2          2HD       ARG   2   9.812  13.940   0.765
   18    HE   ARG   2           HE       ARG   2   9.367  13.187   2.911
   19   1HH1  ARG   2          1HH1      ARG   2  11.537  11.011   1.270
   20   2HH1  ARG   2          2HH1      ARG   2  11.974  10.154   2.710
   21   1HH2  ARG   2          1HH2      ARG   2   9.937  12.064   4.813
   22   2HH2  ARG   2          2HH2      ARG   2  11.063  10.752   4.723
   23    H    VAL   3           H        VAL   3   8.560   9.894  -1.180
   24    HA   VAL   3           HA       VAL   3   6.445   8.978   0.525
   25    HB   VAL   3           HB       VAL   3   6.505   8.286  -2.304
   26   1HG1  VAL   3          1HG1      VAL   3   7.292   6.171  -0.968
   27   2HG1  VAL   3          2HG1      VAL   3   5.575   6.079  -0.601
   28   3HG1  VAL   3          3HG1      VAL   3   6.113   6.100  -2.283
   29   1HG2  VAL   3          1HG2      VAL   3   4.641   8.574  -0.067
   30   2HG2  VAL   3          2HG2      VAL   3   4.542   9.157  -1.740
   31   3HG2  VAL   3          3HG2      VAL   3   4.196   7.464  -1.374
   32    H    VAL   4           H        VAL   4   6.759   6.796   1.299
   33    HA   VAL   4           HA       VAL   4   9.433   5.763   1.004
   34    HB   VAL   4           HB       VAL   4   8.524   6.968   3.589
   35   1HG1  VAL   4          1HG1      VAL   4  10.046   4.485   3.199
   36   2HG1  VAL   4          2HG1      VAL   4  10.831   5.670   4.248
   37   3HG1  VAL   4          3HG1      VAL   4   9.209   5.087   4.632
   38   1HG2  VAL   4          1HG2      VAL   4  10.821   7.184   1.714
   39   2HG2  VAL   4          2HG2      VAL   4   9.893   8.460   2.508
   40   3HG2  VAL   4          3HG2      VAL   4  11.088   7.537   3.422
   41    H    PHE   5           H        PHE   5   9.121   3.819   0.563
   42    HA   PHE   5           HA       PHE   5   6.883   2.274   1.629
   43   1HB   PHE   5          1HB       PHE   5   9.040   1.789  -0.399
   44   2HB   PHE   5          2HB       PHE   5   7.984   0.502   0.141
   45    HD1  PHE   5           HD1      PHE   5   6.734   3.984  -0.424
   46    HD2  PHE   5           HD2      PHE   5   7.134   0.045  -1.968
   47    HE1  PHE   5           HE1      PHE   5   5.188   4.523  -2.233
   48    HE2  PHE   5           HE2      PHE   5   5.600   0.553  -3.748
   49    HZ   PHE   5           HZ       PHE   5   4.577   2.798  -3.896
   50    H    ILE   6           H        ILE   6   7.570  -0.067   2.218
   51    HA   ILE   6           HA       ILE   6  10.126  -0.358   3.491
   52    HB   ILE   6           HB       ILE   6   7.631  -0.790   5.097
   53   1HG1  ILE   6          1HG1      ILE   6   7.987   1.638   4.493
   54   2HG1  ILE   6          2HG1      ILE   6   8.030   1.306   6.220
   55   1HG2  ILE   6          1HG2      ILE   6  10.512  -1.130   5.443
   56   2HG2  ILE   6          2HG2      ILE   6   9.642  -0.477   6.832
   57   3HG2  ILE   6          3HG2      ILE   6   9.166  -2.027   6.139
   58   1HD1  ILE   6          1HD1      ILE   6  10.618   1.140   4.939
   59   2HD1  ILE   6          2HD1      ILE   6   9.862   2.719   4.781
   60   3HD1  ILE   6          3HD1      ILE   6  10.124   2.024   6.382
   61    H    ASP   7           H        ASP   7  10.398  -2.616   4.314
   62    HA   ASP   7           HA       ASP   7   8.515  -4.624   3.673
   63   1HB   ASP   7          1HB       ASP   7   9.557  -3.720   1.421
   64   2HB   ASP   7          2HB       ASP   7  10.864  -4.820   1.852
   65    H    GLU   8           H        GLU   8  10.144  -6.787   3.203
   66    HA   GLU   8           HA       GLU   8  11.774  -6.834   5.647
   67   1HB   GLU   8          1HB       GLU   8  10.392  -8.524   6.175
   68   2HB   GLU   8          2HB       GLU   8   9.776  -8.638   4.535
   69   1HG   GLU   8          1HG       GLU   8  10.695 -10.723   4.935
   70   2HG   GLU   8          2HG       GLU   8  11.944  -9.896   4.010
   71    H    GLN   9           H        GLN   9  12.104  -6.665   2.376
   72    HA   GLN   9           HA       GLN   9  14.371  -8.479   2.167
   73   1HB   GLN   9          1HB       GLN   9  12.832  -6.789   0.232
   74   2HB   GLN   9          2HB       GLN   9  14.436  -7.361  -0.201
   75   1HG   GLN   9          1HG       GLN   9  13.666  -9.679   0.268
   76   2HG   GLN   9          2HG       GLN   9  12.041  -9.036   0.501
   77   1HE2  GLN   9          2HE2      GLN   9  14.657  -8.621  -1.867
   78   2HE2  GLN   9          1HE2      GLN   9  13.662  -8.846  -3.261
   79    H    SER  10           H        SER  10  13.690  -5.024   2.209
   80    HA   SER  10           HA       SER  10  16.564  -4.538   2.624
   81   1HB   SER  10          1HB       SER  10  15.734  -3.836   0.328
   82   2HB   SER  10          2HB       SER  10  14.744  -2.631   1.149
   83    HG   SER  10           HG       SER  10  17.471  -2.694   0.723
   84    H    GLY  11           H        GLY  11  13.565  -4.428   3.950
   85   1HA   GLY  11          1HA       GLY  11  12.690  -3.431   5.809
   86   2HA   GLY  11          2HA       GLY  11  14.341  -3.011   6.226
   87    H    GLU  12           H        GLU  12  13.198  -1.868   3.229
   88    HA   GLU  12           HA       GLU  12  11.804   0.410   3.798
   89   1HB   GLU  12          1HB       GLU  12  13.400   1.351   5.205
   90   2HB   GLU  12          2HB       GLU  12  14.745   0.777   4.225
   91   1HG   GLU  12          1HG       GLU  12  14.204   2.390   2.494
   92   2HG   GLU  12          2HG       GLU  12  12.811   2.941   3.423
   93    H    TYR  13           H        TYR  13  11.389   1.635   2.065
   94    HA   TYR  13           HA       TYR  13  12.981   1.329  -0.341
   95   1HB   TYR  13          1HB       TYR  13  10.140   0.399  -0.038
   96   2HB   TYR  13          2HB       TYR  13  10.831   0.789  -1.612
   97    HD1  TYR  13           HD1      TYR  13  11.431  -1.308   1.403
   98    HD2  TYR  13           HD2      TYR  13  12.014  -0.836  -2.771
   99    HE1  TYR  13           HE1      TYR  13  12.447  -3.553   1.307
  100    HE2  TYR  13           HE2      TYR  13  13.012  -3.056  -2.913
  101    HH   TYR  13           HH       TYR  13  13.981  -4.730  -1.624
  102    H    ALA  14           H        ALA  14  13.077   3.554   0.899
  103    HA   ALA  14           HA       ALA  14  11.157   5.508   0.816
  104   1HB   ALA  14          1HB       ALA  14  14.116   5.757   0.333
  105   2HB   ALA  14          2HB       ALA  14  13.036   7.131   0.581
  106   3HB   ALA  14          3HB       ALA  14  13.253   5.937   1.862
  107    H    VAL  15           H        VAL  15  10.379   6.981  -0.639
  108    HA   VAL  15           HA       VAL  15  11.399   7.225  -3.284
  109    HB   VAL  15           HB       VAL  15  10.280   4.968  -3.203
  110   1HG1  VAL  15          1HG1      VAL  15   7.788   6.666  -3.096
  111   2HG1  VAL  15          2HG1      VAL  15   7.823   4.989  -3.681
  112   3HG1  VAL  15          3HG1      VAL  15   8.284   5.346  -2.028
  113   1HG2  VAL  15          1HG2      VAL  15  10.392   6.976  -5.205
  114   2HG2  VAL  15          2HG2      VAL  15  10.499   5.235  -5.392
  115   3HG2  VAL  15          3HG2      VAL  15   8.927   6.026  -5.435
  116    H    ASP  16           H        ASP  16   8.929   7.735  -4.489
  117    HA   ASP  16           HA       ASP  16   7.601   9.826  -3.080
  118   1HB   ASP  16          1HB       ASP  16   8.767  10.512  -5.716
  119   2HB   ASP  16          2HB       ASP  16   8.233  11.585  -4.435
  120    H    ALA  17           H        ALA  17   5.882  10.677  -4.456
  121    HA   ALA  17           HA       ALA  17   5.147   8.936  -6.678
  122   1HB   ALA  17          1HB       ALA  17   4.303   8.467  -4.154
  123   2HB   ALA  17          2HB       ALA  17   2.996   9.487  -4.806
  124   3HB   ALA  17          3HB       ALA  17   3.443   7.978  -5.629
  125    H    GLN  18           H        GLN  18   2.743   9.754  -7.300
  126    HA   GLN  18           HA       GLN  18   2.738  12.684  -7.313
  127   1HB   GLN  18          1HB       GLN  18   2.226  11.111  -9.825
  128   2HB   GLN  18          2HB       GLN  18   2.446  12.847  -9.658
  129   1HG   GLN  18          1HG       GLN  18   4.591  10.844  -9.046
  130   2HG   GLN  18          2HG       GLN  18   4.379  11.599 -10.622
  131   1HE2  GLN  18          2HE2      GLN  18   6.377  11.704  -8.245
  132   2HE2  GLN  18          1HE2      GLN  18   6.701  13.395  -8.099
  133    H    ASP  19           H        ASP  19   0.750  13.593  -7.200
  134    HA   ASP  19           HA       ASP  19  -1.404  12.277  -6.190
  135   1HB   ASP  19          1HB       ASP  19  -1.685  14.609  -8.056
  136   2HB   ASP  19          2HB       ASP  19  -2.773  14.153  -6.759
  137    H    GLY  20           H        GLY  20  -2.259  10.497  -6.903
  138   1HA   GLY  20          1HA       GLY  20  -4.039   9.762  -8.472
  139   2HA   GLY  20          2HA       GLY  20  -3.005  10.370  -9.754
  140    H    GLN  21           H        GLN  21  -0.931   9.053  -7.528
  141    HA   GLN  21           HA       GLN  21  -1.053   6.438  -8.893
  142   1HB   GLN  21          1HB       GLN  21   1.374   7.848  -7.778
  143   2HB   GLN  21          2HB       GLN  21   1.374   6.286  -8.586
  144   1HG   GLN  21          1HG       GLN  21   1.010   7.213 -10.666
  145   2HG   GLN  21          2HG       GLN  21   0.324   8.689  -9.997
  146   1HE2  GLN  21          2HE2      GLN  21   3.098   7.728  -8.344
  147   2HE2  GLN  21          1HE2      GLN  21   4.213   8.793  -9.104
  148    H    SER  22           H        SER  22  -0.469   4.581  -7.679
  149    HA   SER  22           HA       SER  22  -1.067   4.943  -4.847
  150   1HB   SER  22          1HB       SER  22  -1.968   2.787  -4.807
  151   2HB   SER  22          2HB       SER  22  -2.390   3.343  -6.426
  152    HG   SER  22           HG       SER  22  -1.487   1.421  -6.808
  153    H    LEU  23           H        LEU  23  -0.093   3.052  -3.480
  154    HA   LEU  23           HA       LEU  23   2.769   3.435  -3.603
  155   1HB   LEU  23          1HB       LEU  23   1.083   1.825  -1.688
  156   2HB   LEU  23          2HB       LEU  23   2.788   2.187  -1.490
  157    HG   LEU  23           HG       LEU  23   1.926   3.818  -0.155
  158   1HD1  LEU  23          1HD1      LEU  23   1.824   4.995  -2.922
  159   2HD1  LEU  23          2HD1      LEU  23   1.664   5.959  -1.453
  160   3HD1  LEU  23          3HD1      LEU  23   3.149   5.060  -1.762
  161   1HD2  LEU  23          1HD2      LEU  23  -0.417   3.068  -0.600
  162   2HD2  LEU  23          2HD2      LEU  23  -0.237   4.804  -0.341
  163   3HD2  LEU  23          3HD2      LEU  23  -0.447   4.173  -1.975
  164    H    MET  24           H        MET  24   0.861   1.503  -5.302
  165    HA   MET  24           HA       MET  24   2.457  -0.931  -5.078
  166   1HB   MET  24          1HB       MET  24  -0.163  -0.723  -5.443
  167   2HB   MET  24          2HB       MET  24   0.312  -0.576  -7.129
  168   1HG   MET  24          1HG       MET  24   1.761  -2.741  -6.318
  169   2HG   MET  24          2HG       MET  24   0.277  -2.913  -5.382
  170   1HE   MET  24          1HE       MET  24   2.024  -2.487  -8.518
  171   2HE   MET  24          2HE       MET  24   1.389  -3.877  -9.399
  172   3HE   MET  24          3HE       MET  24   0.775  -2.260  -9.742
  173    H    GLU  25           H        GLU  25   1.780   1.754  -7.212
  174    HA   GLU  25           HA       GLU  25   3.474   0.722  -9.308
  175   1HB   GLU  25          1HB       GLU  25   2.897   2.706 -10.549
  176   2HB   GLU  25          2HB       GLU  25   1.433   2.060  -9.822
  177   1HG   GLU  25          1HG       GLU  25   1.256   4.337  -9.463
  178   2HG   GLU  25          2HG       GLU  25   1.876   3.732  -7.928
  179    H    VAL  26           H        VAL  26   3.704   3.228  -6.796
  180    HA   VAL  26           HA       VAL  26   6.056   4.404  -7.656
  181    HB   VAL  26           HB       VAL  26   6.148   3.679  -4.806
  182   1HG1  VAL  26          1HG1      VAL  26   6.559   6.046  -6.532
  183   2HG1  VAL  26          2HG1      VAL  26   6.371   6.244  -4.789
  184   3HG1  VAL  26          3HG1      VAL  26   7.647   5.227  -5.428
  185   1HG2  VAL  26          1HG2      VAL  26   3.731   3.930  -5.117
  186   2HG2  VAL  26          2HG2      VAL  26   4.479   5.141  -4.072
  187   3HG2  VAL  26          3HG2      VAL  26   4.032   5.562  -5.731
  188    H    ALA  27           H        ALA  27   5.666   1.663  -5.490
  189    HA   ALA  27           HA       ALA  27   8.008   0.709  -4.949
  190   1HB   ALA  27          1HB       ALA  27   5.513  -0.475  -5.282
  191   2HB   ALA  27          2HB       ALA  27   6.629  -1.493  -6.195
  192   3HB   ALA  27          3HB       ALA  27   6.920  -1.180  -4.481
  193    H    THR  28           H        THR  28   6.601  -0.573  -7.915
  194    HA   THR  28           HA       THR  28   8.878  -1.650  -8.980
  195    HB   THR  28           HB       THR  28   7.651  -2.073 -10.822
  196    HG1  THR  28           HG1      THR  28   6.725  -0.524 -12.070
  197   1HG2  THR  28          1HG2      THR  28   5.973  -2.206  -8.933
  198   2HG2  THR  28          2HG2      THR  28   5.352  -0.665  -9.527
  199   3HG2  THR  28          3HG2      THR  28   5.331  -2.087 -10.571
  200    H    GLN  29           H        GLN  29   7.850   1.684  -8.976
  201    HA   GLN  29           HA       GLN  29   9.869   2.549 -10.833
  202   1HB   GLN  29          1HB       GLN  29   8.114   4.101  -8.934
  203   2HB   GLN  29          2HB       GLN  29   9.221   4.845 -10.078
  204   1HG   GLN  29          1HG       GLN  29   7.535   2.960 -11.427
  205   2HG   GLN  29          2HG       GLN  29   6.561   4.103 -10.502
  206   1HE2  GLN  29          2HE2      GLN  29   8.856   3.721 -13.089
  207   2HE2  GLN  29          1HE2      GLN  29   8.635   5.286 -13.787
  208    H    ASN  30           H        ASN  30   9.590   2.235  -7.388
  209    HA   ASN  30           HA       ASN  30  12.067   3.650  -6.861
  210   1HB   ASN  30          1HB       ASN  30  10.900   2.061  -4.690
  211   2HB   ASN  30          2HB       ASN  30  11.323   3.751  -4.716
  212   1HD2  ASN  30          2HD2      ASN  30   8.882   2.333  -3.759
  213   2HD2  ASN  30          1HD2      ASN  30   7.589   3.082  -4.564
  214    H    GLY  31           H        GLY  31  11.509   0.723  -8.121
  215   1HA   GLY  31          1HA       GLY  31  13.039  -1.021  -8.438
  216   2HA   GLY  31          2HA       GLY  31  14.031  -0.351  -7.148
  217    H    VAL  32           H        VAL  32  11.151  -0.266  -5.826
  218    HA   VAL  32           HA       VAL  32  11.447  -2.209  -3.924
  219    HB   VAL  32           HB       VAL  32   8.768  -1.357  -4.950
  220   1HG1  VAL  32          1HG1      VAL  32   9.820  -2.155  -2.296
  221   2HG1  VAL  32          2HG1      VAL  32   8.438  -1.069  -2.411
  222   3HG1  VAL  32          3HG1      VAL  32   8.353  -2.672  -3.133
  223   1HG2  VAL  32          1HG2      VAL  32  10.806   0.323  -3.566
  224   2HG2  VAL  32          2HG2      VAL  32   9.814   0.702  -4.976
  225   3HG2  VAL  32          3HG2      VAL  32   9.077   0.631  -3.373
  226    HA   PRO  33           HA       PRO  33  10.371  -6.063  -5.784
  227   1HB   PRO  33          1HB       PRO  33   8.995  -6.895  -3.330
  228   2HB   PRO  33          2HB       PRO  33  10.540  -7.449  -3.985
  229   1HG   PRO  33          1HG       PRO  33  10.438  -5.934  -1.750
  230   2HG   PRO  33          2HG       PRO  33  11.742  -5.750  -2.940
  231   1HD   PRO  33          1HD       PRO  33   9.218  -4.160  -2.648
  232   2HD   PRO  33          2HD       PRO  33  10.882  -3.580  -2.771
  233    H    GLY  34           H        GLY  34   8.087  -3.802  -5.298
  234   1HA   GLY  34          1HA       GLY  34   5.771  -3.703  -5.544
  235   2HA   GLY  34          2HA       GLY  34   6.220  -4.479  -7.053
  236    H    ILE  35           H        ILE  35   6.507  -5.992  -3.901
  237    HA   ILE  35           HA       ILE  35   5.768  -8.088  -3.284
  238    HB   ILE  35           HB       ILE  35   3.215  -6.555  -3.749
  239   1HG1  ILE  35          1HG1      ILE  35   3.402  -6.287  -1.224
  240   2HG1  ILE  35          2HG1      ILE  35   5.051  -6.883  -1.379
  241   1HG2  ILE  35          1HG2      ILE  35   3.731  -9.243  -2.612
  242   2HG2  ILE  35          2HG2      ILE  35   2.545  -8.227  -1.795
  243   3HG2  ILE  35          3HG2      ILE  35   2.332  -8.635  -3.498
  244   1HD1  ILE  35          1HD1      ILE  35   4.435  -4.708  -3.213
  245   2HD1  ILE  35          2HD1      ILE  35   4.279  -4.268  -1.512
  246   3HD1  ILE  35          3HD1      ILE  35   5.801  -4.922  -2.118
  247    H    VAL  36           H        VAL  36   2.913  -7.574  -5.257
  248    HA   VAL  36           HA       VAL  36   3.737  -9.114  -7.488
  249    HB   VAL  36           HB       VAL  36   1.881 -10.944  -6.767
  250   1HG1  VAL  36          1HG1      VAL  36   4.778 -10.811  -6.910
  251   2HG1  VAL  36          2HG1      VAL  36   4.213 -12.062  -5.802
  252   3HG1  VAL  36          3HG1      VAL  36   3.673 -12.061  -7.481
  253   1HG2  VAL  36          1HG2      VAL  36   1.626 -10.034  -4.523
  254   2HG2  VAL  36          2HG2      VAL  36   2.335 -11.647  -4.463
  255   3HG2  VAL  36          3HG2      VAL  36   3.355 -10.227  -4.235
  256    H    ALA  37           H        ALA  37   2.454  -8.582  -9.126
  257    HA   ALA  37           HA       ALA  37  -0.235  -7.543  -8.517
  258   1HB   ALA  37          1HB       ALA  37   1.906  -6.587 -10.248
  259   2HB   ALA  37          2HB       ALA  37   0.343  -6.676 -11.059
  260   3HB   ALA  37          3HB       ALA  37   0.517  -5.727  -9.582
  261    H    GLU  38           H        GLU  38  -1.732  -9.033  -8.924
  262    HA   GLU  38           HA       GLU  38  -1.322 -10.951 -11.087
  263   1HB   GLU  38          1HB       GLU  38  -2.028 -11.659  -8.766
  264   2HB   GLU  38          2HB       GLU  38  -3.576 -10.890  -9.085
  265   1HG   GLU  38          1HG       GLU  38  -3.367 -13.413  -9.451
  266   2HG   GLU  38          2HG       GLU  38  -4.168 -12.451 -10.691
  267    H    CYS  39           H        CYS  39  -4.144  -9.120  -9.885
  268    HA   CYS  39           HA       CYS  39  -5.621  -9.322 -12.244
  269   1HB   CYS  39          1HB       CYS  39  -7.078  -7.660 -11.324
  270   2HB   CYS  39          2HB       CYS  39  -6.507  -8.663  -9.995
  271    H    GLY  40           H        GLY  40  -3.230  -6.927 -11.250
  272   1HA   GLY  40          1HA       GLY  40  -1.911  -5.691 -12.753
  273   2HA   GLY  40          2HA       GLY  40  -3.065  -6.048 -14.026
  274    H    GLY  41           H        GLY  41  -4.073  -4.762 -10.923
  275   1HA   GLY  41          1HA       GLY  41  -4.670  -2.595 -10.317
  276   2HA   GLY  41          2HA       GLY  41  -4.112  -2.032 -11.884
  277    H    SER  42           H        SER  42  -6.559  -4.453 -11.025
  278    HA   SER  42           HA       SER  42  -8.637  -2.729 -12.147
  279   1HB   SER  42          1HB       SER  42  -9.563  -4.844 -13.292
  280   2HB   SER  42          2HB       SER  42  -8.175  -4.057 -14.043
  281    HG   SER  42           HG       SER  42  -7.867  -6.308 -13.895
  282    H    CYS  43           H        CYS  43  -7.786  -3.749  -9.460
  283    HA   CYS  43           HA       CYS  43  -8.645  -4.767  -7.594
  284   1HB   CYS  43          1HB       CYS  43 -11.310  -4.118  -7.627
  285   2HB   CYS  43          2HB       CYS  43 -10.016  -3.058  -7.081
  286    HG   CYS  43           HG       CYS  43 -11.611  -1.894  -8.871
  287    H    VAL  44           H        VAL  44  -8.284  -6.851  -8.953
  288    HA   VAL  44           HA       VAL  44 -10.801  -8.358  -8.840
  289    HB   VAL  44           HB       VAL  44  -8.786  -8.924 -10.994
  290   1HG1  VAL  44          1HG1      VAL  44 -10.980 -10.303 -10.086
  291   2HG1  VAL  44          2HG1      VAL  44 -11.617  -9.425 -11.477
  292   3HG1  VAL  44          3HG1      VAL  44 -10.227 -10.493 -11.670
  293   1HG2  VAL  44          1HG2      VAL  44 -10.944  -6.858 -10.964
  294   2HG2  VAL  44          2HG2      VAL  44  -9.316  -6.772 -11.635
  295   3HG2  VAL  44          3HG2      VAL  44 -10.563  -7.704 -12.463
  296    H    CYS  45           H        CYS  45  -7.854  -8.016  -7.566
  297    HA   CYS  45           HA       CYS  45  -7.713 -10.847  -6.843
  298   1HB   CYS  45          1HB       CYS  45  -5.525 -11.168  -7.452
  299   2HB   CYS  45          2HB       CYS  45  -6.014 -10.040  -8.709
  300    H    ALA  46           H        ALA  46  -5.628 -10.890  -5.154
  301    HA   ALA  46           HA       ALA  46  -5.860  -8.636  -3.316
  302   1HB   ALA  46          1HB       ALA  46  -7.614 -10.557  -2.892
  303   2HB   ALA  46          2HB       ALA  46  -6.235 -11.330  -2.110
  304   3HB   ALA  46          3HB       ALA  46  -6.795  -9.753  -1.552
  305    H    THR  47           H        THR  47  -3.801 -10.105  -5.008
  306    HA   THR  47           HA       THR  47  -1.960 -11.194  -3.076
  307    HB   THR  47           HB       THR  47  -2.100 -12.066  -5.394
  308    HG1  THR  47           HG1      THR  47  -0.188 -12.517  -4.476
  309   1HG2  THR  47          1HG2      THR  47  -1.334  -9.289  -6.070
  310   2HG2  THR  47          2HG2      THR  47  -0.617 -10.597  -7.012
  311   3HG2  THR  47          3HG2      THR  47  -2.371 -10.427  -6.931
  312    H    CYS  48           H        CYS  48  -2.678  -8.110  -4.367
  313    HA   CYS  48           HA       CYS  48  -0.075  -6.958  -3.913
  314   1HB   CYS  48          1HB       CYS  48  -1.142  -4.832  -4.472
  315   2HB   CYS  48          2HB       CYS  48  -1.569  -6.065  -5.654
  316    H    ARG  49           H        ARG  49  -0.614  -8.180  -1.628
  317    HA   ARG  49           HA       ARG  49  -2.043  -6.611   0.266
  318   1HB   ARG  49          1HB       ARG  49  -1.286  -9.147   0.290
  319   2HB   ARG  49          2HB       ARG  49   0.117  -8.484   1.119
  320   1HG   ARG  49          1HG       ARG  49  -1.232  -7.618   2.877
  321   2HG   ARG  49          2HG       ARG  49  -2.716  -7.992   1.998
  322   1HD   ARG  49          1HD       ARG  49  -1.803 -10.432   2.061
  323   2HD   ARG  49          2HD       ARG  49  -0.818  -9.831   3.394
  324    HE   ARG  49           HE       ARG  49  -3.568  -9.157   3.714
  325   1HH1  ARG  49          1HH1      ARG  49  -1.262 -11.743   4.065
  326   2HH1  ARG  49          2HH1      ARG  49  -2.157 -12.545   5.312
  327   1HH2  ARG  49          1HH2      ARG  49  -4.755 -10.205   5.353
  328   2HH2  ARG  49          2HH2      ARG  49  -4.144 -11.670   6.044
  329    H    ILE  50           H        ILE  50  -1.322  -4.529   0.376
  330    HA   ILE  50           HA       ILE  50   1.477  -4.138   1.222
  331    HB   ILE  50           HB       ILE  50   0.780  -3.060  -0.967
  332   1HG1  ILE  50          1HG1      ILE  50   1.510  -0.807   0.797
  333   2HG1  ILE  50          2HG1      ILE  50   2.522  -2.241   0.949
  334   1HG2  ILE  50          1HG2      ILE  50  -0.974  -1.539   0.932
  335   2HG2  ILE  50          2HG2      ILE  50  -0.432  -0.833  -0.589
  336   3HG2  ILE  50          3HG2      ILE  50  -1.399  -2.307  -0.597
  337   1HD1  ILE  50          1HD1      ILE  50   2.130  -1.687  -1.812
  338   2HD1  ILE  50          2HD1      ILE  50   2.646  -0.213  -0.994
  339   3HD1  ILE  50          3HD1      ILE  50   3.623  -1.676  -0.874
  340    H    GLU  51           H        GLU  51   1.698  -2.057   2.597
  341    HA   GLU  51           HA       GLU  51  -0.646  -1.539   4.238
  342   1HB   GLU  51          1HB       GLU  51   1.716  -3.090   5.117
  343   2HB   GLU  51          2HB       GLU  51   1.111  -1.884   6.245
  344   1HG   GLU  51          1HG       GLU  51  -1.167  -2.946   5.938
  345   2HG   GLU  51          2HG       GLU  51  -0.326  -4.268   5.128
  346    H    ILE  52           H        ILE  52  -0.781   0.586   4.398
  347    HA   ILE  52           HA       ILE  52   1.361   2.391   3.909
  348    HB   ILE  52           HB       ILE  52  -1.340   2.795   5.213
  349   1HG1  ILE  52          1HG1      ILE  52  -1.091   2.061   2.735
  350   2HG1  ILE  52          2HG1      ILE  52  -2.164   3.403   3.127
  351   1HG2  ILE  52          1HG2      ILE  52   0.265   4.524   5.891
  352   2HG2  ILE  52          2HG2      ILE  52   0.570   4.889   4.192
  353   3HG2  ILE  52          3HG2      ILE  52  -1.030   5.169   4.882
  354   1HD1  ILE  52          1HD1      ILE  52  -0.392   4.970   2.528
  355   2HD1  ILE  52          2HD1      ILE  52   0.640   3.607   2.084
  356   3HD1  ILE  52          3HD1      ILE  52  -0.847   3.919   1.184
  357    H    GLU  53           H        GLU  53   2.632   3.611   5.449
  358    HA   GLU  53           HA       GLU  53   3.099   2.253   7.869
  359   1HB   GLU  53          1HB       GLU  53   4.746   3.753   8.216
  360   2HB   GLU  53          2HB       GLU  53   4.321   4.366   6.630
  361   1HG   GLU  53          1HG       GLU  53   4.187   6.317   7.709
  362   2HG   GLU  53          2HG       GLU  53   2.598   5.727   8.156
  363    H    ASP  54           H        ASP  54   2.566   3.041  10.146
  364    HA   ASP  54           HA       ASP  54  -0.264   3.463  10.278
  365   1HB   ASP  54          1HB       ASP  54   1.755   3.315  12.521
  366   2HB   ASP  54          2HB       ASP  54   0.006   3.221  12.705
  367    H    ALA  55           H        ALA  55   1.490   5.735   9.371
  368    HA   ALA  55           HA       ALA  55   0.572   7.770  11.274
  369   1HB   ALA  55          1HB       ALA  55   3.087   7.518  10.688
  370   2HB   ALA  55          2HB       ALA  55   2.633   8.275   9.157
  371   3HB   ALA  55          3HB       ALA  55   2.369   9.127  10.680
  372    H    TRP  56           H        TRP  56   0.519   6.577   8.054
  373    HA   TRP  56           HA       TRP  56  -0.869   8.946   7.093
  374   1HB   TRP  56          1HB       TRP  56   0.394   6.660   5.626
  375   2HB   TRP  56          2HB       TRP  56  -0.317   8.089   4.880
  376    HD1  TRP  56           HD1      TRP  56   2.378   7.269   7.477
  377    HE1  TRP  56           HE1      TRP  56   4.214   9.036   7.341
  378    HE3  TRP  56           HE3      TRP  56   0.313  10.164   3.827
  379    HZ2  TRP  56           HZ2      TRP  56   4.738  11.350   5.850
  380    HZ3  TRP  56           HZ3      TRP  56   1.600  12.137   3.069
  381    HH2  TRP  56           HH2      TRP  56   3.740  12.717   4.049
  382    H    VAL  57           H        VAL  57  -1.667   5.842   8.098
  383    HA   VAL  57           HA       VAL  57  -3.548   5.051   6.242
  384    HB   VAL  57           HB       VAL  57  -3.975   4.884   9.211
  385   1HG1  VAL  57          1HG1      VAL  57  -4.926   3.432   6.792
  386   2HG1  VAL  57          2HG1      VAL  57  -4.960   2.664   8.382
  387   3HG1  VAL  57          3HG1      VAL  57  -5.862   4.160   8.094
  388   1HG2  VAL  57          1HG2      VAL  57  -1.863   3.855   7.552
  389   2HG2  VAL  57          2HG2      VAL  57  -2.018   3.859   9.307
  390   3HG2  VAL  57          3HG2      VAL  57  -2.749   2.560   8.362
  391    H    GLU  58           H        GLU  58  -3.795   7.297   8.924
  392    HA   GLU  58           HA       GLU  58  -6.543   7.928   8.361
  393   1HB   GLU  58          1HB       GLU  58  -4.920   9.808   9.985
  394   2HB   GLU  58          2HB       GLU  58  -6.518   9.145  10.299
  395   1HG   GLU  58          1HG       GLU  58  -4.977   6.929  10.545
  396   2HG   GLU  58          2HG       GLU  58  -3.877   8.182  11.120
  397    H    ILE  59           H        ILE  59  -3.723   8.554   6.864
  398    HA   ILE  59           HA       ILE  59  -4.428  11.264   5.950
  399    HB   ILE  59           HB       ILE  59  -1.925   9.638   5.848
  400   1HG1  ILE  59          1HG1      ILE  59  -2.026  12.558   6.301
  401   2HG1  ILE  59          2HG1      ILE  59  -2.694  11.521   7.555
  402   1HG2  ILE  59          1HG2      ILE  59  -2.841  11.456   3.759
  403   2HG2  ILE  59          2HG2      ILE  59  -1.252  11.858   4.408
  404   3HG2  ILE  59          3HG2      ILE  59  -1.550  10.255   3.734
  405   1HD1  ILE  59          1HD1      ILE  59  -0.131  10.594   6.630
  406   2HD1  ILE  59          2HD1      ILE  59  -0.062  12.249   7.236
  407   3HD1  ILE  59          3HD1      ILE  59  -0.687  10.960   8.263
  408    H    VAL  60           H        VAL  60  -3.836   7.985   4.942
  409    HA   VAL  60           HA       VAL  60  -4.396   8.564   2.158
  410    HB   VAL  60           HB       VAL  60  -3.857   5.921   3.504
  411   1HG1  VAL  60          1HG1      VAL  60  -4.908   6.114   1.141
  412   2HG1  VAL  60          2HG1      VAL  60  -3.276   6.574   0.650
  413   3HG1  VAL  60          3HG1      VAL  60  -3.561   5.008   1.410
  414   1HG2  VAL  60          1HG2      VAL  60  -2.122   8.106   3.324
  415   2HG2  VAL  60          2HG2      VAL  60  -1.688   6.422   3.632
  416   3HG2  VAL  60          3HG2      VAL  60  -1.658   7.048   1.987
  417    H    GLY  61           H        GLY  61  -5.837   6.910   4.895
  418   1HA   GLY  61          1HA       GLY  61  -8.103   6.569   5.309
  419   2HA   GLY  61          2HA       GLY  61  -8.459   7.249   3.731
  420    H    GLU  62           H        GLU  62  -7.524   4.319   5.443
  421    HA   GLU  62           HA       GLU  62  -7.325   2.499   3.440
  422   1HB   GLU  62          1HB       GLU  62  -8.166   2.420   6.260
  423   2HB   GLU  62          2HB       GLU  62  -8.770   1.088   5.284
  424   1HG   GLU  62          1HG       GLU  62  -6.425   0.661   4.553
  425   2HG   GLU  62          2HG       GLU  62  -5.905   1.878   5.717
  426    H    ALA  63           H        ALA  63  -8.731   1.154   2.407
  427    HA   ALA  63           HA       ALA  63 -10.919   2.249   1.173
  428   1HB   ALA  63          1HB       ALA  63 -10.001  -0.561   1.538
  429   2HB   ALA  63          2HB       ALA  63 -11.566  -0.251   0.785
  430   3HB   ALA  63          3HB       ALA  63 -10.095   0.416   0.072
  431    H    ASN  64           H        ASN  64 -13.188   1.606   1.225
  432    HA   ASN  64           HA       ASN  64 -14.285   1.874   3.820
  433   1HB   ASN  64          1HB       ASN  64 -16.283   2.298   2.693
  434   2HB   ASN  64          2HB       ASN  64 -15.090   2.775   1.502
  435   1HD2  ASN  64          2HD2      ASN  64 -15.158   1.890  -0.440
  436   2HD2  ASN  64          1HD2      ASN  64 -16.129   0.532  -0.888
  437    HA   PRO  65           HA       PRO  65 -15.690  -2.137   5.001
  438   1HB   PRO  65          1HB       PRO  65 -18.409  -1.792   3.853
  439   2HB   PRO  65          2HB       PRO  65 -17.925  -2.190   5.505
  440   1HG   PRO  65          1HG       PRO  65 -18.816   0.252   4.882
  441   2HG   PRO  65          2HG       PRO  65 -17.510   0.021   6.059
  442   1HD   PRO  65          1HD       PRO  65 -17.358   0.935   3.219
  443   2HD   PRO  65          2HD       PRO  65 -16.396   1.449   4.613
  444    H    ASP  66           H        ASP  66 -16.027  -1.250   1.712
  445    HA   ASP  66           HA       ASP  66 -16.813  -3.786   0.675
  446   1HB   ASP  66          1HB       ASP  66 -15.547  -1.356  -0.599
  447   2HB   ASP  66          2HB       ASP  66 -15.978  -2.800  -1.510
  448    H    GLU  67           H        GLU  67 -13.725  -2.138   1.167
  449    HA   GLU  67           HA       GLU  67 -12.172  -4.236  -0.025
  450   1HB   GLU  67          1HB       GLU  67 -11.338  -1.941   0.035
  451   2HB   GLU  67          2HB       GLU  67 -11.357  -1.960   1.792
  452   1HG   GLU  67          1HG       GLU  67  -9.770  -4.054   0.433
  453   2HG   GLU  67          2HG       GLU  67  -9.161  -2.401   0.371
  454    H    ASN  68           H        ASN  68 -12.566  -3.102   3.333
  455    HA   ASN  68           HA       ASN  68 -11.145  -5.074   4.629
  456   1HB   ASN  68          1HB       ASN  68 -12.030  -3.157   5.827
  457   2HB   ASN  68          2HB       ASN  68 -13.682  -3.688   5.525
  458   1HD2  ASN  68          2HD2      ASN  68 -11.113  -5.900   6.309
  459   2HD2  ASN  68          1HD2      ASN  68 -11.680  -6.312   7.889
  460    H    ASP  69           H        ASP  69 -14.390  -5.180   3.307
  461    HA   ASP  69           HA       ASP  69 -15.108  -7.688   4.455
  462   1HB   ASP  69          1HB       ASP  69 -16.792  -6.063   3.655
  463   2HB   ASP  69          2HB       ASP  69 -16.229  -6.303   2.004
  464    H    LEU  70           H        LEU  70 -13.685  -6.660   1.398
  465    HA   LEU  70           HA       LEU  70 -13.750  -9.119   0.055
  466   1HB   LEU  70          1HB       LEU  70 -12.782  -6.558  -0.455
  467   2HB   LEU  70          2HB       LEU  70 -11.355  -7.575  -0.503
  468    HG   LEU  70           HG       LEU  70 -12.067  -7.539  -2.717
  469   1HD1  LEU  70          1HD1      LEU  70 -11.890  -9.872  -1.546
  470   2HD1  LEU  70          2HD1      LEU  70 -13.616  -9.951  -1.903
  471   3HD1  LEU  70          3HD1      LEU  70 -12.452  -9.744  -3.212
  472   1HD2  LEU  70          1HD2      LEU  70 -14.554  -6.879  -1.616
  473   2HD2  LEU  70          2HD2      LEU  70 -14.113  -6.929  -3.323
  474   3HD2  LEU  70          3HD2      LEU  70 -14.818  -8.350  -2.553
  475    H    LEU  71           H        LEU  71 -11.306  -7.690   2.182
  476    HA   LEU  71           HA       LEU  71  -9.566  -9.972   1.997
  477   1HB   LEU  71          1HB       LEU  71  -9.566  -7.382   3.460
  478   2HB   LEU  71          2HB       LEU  71  -8.589  -8.682   4.115
  479    HG   LEU  71           HG       LEU  71  -7.259  -8.797   2.129
  480   1HD1  LEU  71          1HD1      LEU  71  -9.394  -8.170   0.708
  481   2HD1  LEU  71          2HD1      LEU  71  -8.689  -6.556   0.803
  482   3HD1  LEU  71          3HD1      LEU  71  -7.764  -7.884   0.103
  483   1HD2  LEU  71          1HD2      LEU  71  -7.579  -6.359   3.634
  484   2HD2  LEU  71          2HD2      LEU  71  -6.106  -7.131   3.043
  485   3HD2  LEU  71          3HD2      LEU  71  -7.000  -6.023   2.002
  486    H    GLN  72           H        GLN  72 -12.003  -8.772   4.222
  487    HA   GLN  72           HA       GLN  72 -11.481 -10.480   6.387
  488   1HB   GLN  72          1HB       GLN  72 -13.844  -8.917   5.448
  489   2HB   GLN  72          2HB       GLN  72 -14.091 -10.127   6.702
  490   1HG   GLN  72          1HG       GLN  72 -11.802  -8.488   7.301
  491   2HG   GLN  72          2HG       GLN  72 -13.234  -7.498   7.026
  492   1HE2  GLN  72          2HE2      GLN  72 -15.263  -8.770   8.050
  493   2HE2  GLN  72          1HE2      GLN  72 -15.043  -9.133   9.724
  494    H    SER  73           H        SER  73 -12.917 -11.055   3.314
  495    HA   SER  73           HA       SER  73 -14.463 -13.338   3.962
  496   1HB   SER  73          1HB       SER  73 -15.112 -12.705   1.886
  497   2HB   SER  73          2HB       SER  73 -13.546 -11.984   1.514
  498    HG   SER  73           HG       SER  73 -12.762 -14.018   1.003
  499    H    THR  74           H        THR  74 -11.102 -12.859   3.064
  500    HA   THR  74           HA       THR  74 -10.385 -15.500   2.525
  501    HB   THR  74           HB       THR  74  -8.105 -14.812   2.915
  502    HG1  THR  74           HG1      THR  74  -8.842 -12.320   3.911
  503   1HG2  THR  74          1HG2      THR  74  -9.661 -12.477   1.830
  504   2HG2  THR  74          2HG2      THR  74  -7.931 -12.755   1.628
  505   3HG2  THR  74          3HG2      THR  74  -9.093 -13.868   0.908
  506    H    GLY  75           H        GLY  75 -10.102 -13.711   5.603
  507   1HA   GLY  75          1HA       GLY  75 -10.906 -14.895   7.615
  508   2HA   GLY  75          2HA       GLY  75 -10.119 -16.330   6.974
  509    H    GLU  76           H        GLU  76  -8.192 -13.726   6.281
  510    HA   GLU  76           HA       GLU  76  -6.408 -14.390   8.496
  511   1HB   GLU  76          1HB       GLU  76  -5.970 -12.862   5.928
  512   2HB   GLU  76          2HB       GLU  76  -4.739 -13.049   7.169
  513   1HG   GLU  76          1HG       GLU  76  -4.200 -14.728   5.700
  514   2HG   GLU  76          2HG       GLU  76  -5.190 -15.582   6.883
  515    HA   PRO  77           HA       PRO  77  -7.096 -10.744  10.847
  516   1HB   PRO  77          1HB       PRO  77  -4.497 -10.090  11.521
  517   2HB   PRO  77          2HB       PRO  77  -5.476 -11.307  12.347
  518   1HG   PRO  77          1HG       PRO  77  -3.383 -11.662  10.243
  519   2HG   PRO  77          2HG       PRO  77  -3.707 -12.644  11.684
  520   1HD   PRO  77          1HD       PRO  77  -4.487 -13.431   9.237
  521   2HD   PRO  77          2HD       PRO  77  -5.470 -13.764  10.678
  522    H    MET  78           H        MET  78  -5.834  -8.456  11.145
  523    HA   MET  78           HA       MET  78  -4.828  -7.396   8.660
  524   1HB   MET  78          1HB       MET  78  -7.603  -6.793   9.626
  525   2HB   MET  78          2HB       MET  78  -6.697  -5.580   8.732
  526   1HG   MET  78          1HG       MET  78  -6.431  -7.923   7.250
  527   2HG   MET  78          2HG       MET  78  -8.114  -7.893   7.776
  528   1HE   MET  78          1HE       MET  78  -8.850  -5.291   8.181
  529   2HE   MET  78          2HE       MET  78  -7.875  -4.014   7.453
  530   3HE   MET  78          3HE       MET  78  -9.375  -4.529   6.680
  531    H    THR  79           H        THR  79  -4.376  -5.018   8.859
  532    HA   THR  79           HA       THR  79  -3.993  -4.181  11.647
  533    HB   THR  79           HB       THR  79  -1.749  -3.173  10.556
  534    HG1  THR  79           HG1      THR  79  -2.032  -5.693   9.298
  535   1HG2  THR  79          1HG2      THR  79  -2.183  -5.843  11.829
  536   2HG2  THR  79          2HG2      THR  79  -0.576  -5.309  11.335
  537   3HG2  THR  79          3HG2      THR  79  -1.489  -4.377  12.522
  538    H    ALA  80           H        ALA  80  -2.858  -1.790  11.380
  539    HA   ALA  80           HA       ALA  80  -4.971  -0.213  10.235
  540   1HB   ALA  80          1HB       ALA  80  -2.495   0.436  11.797
  541   2HB   ALA  80          2HB       ALA  80  -3.486   1.702  11.072
  542   3HB   ALA  80          3HB       ALA  80  -4.184   0.613  12.271
  543    H    GLY  81           H        GLY  81  -5.030   0.644   8.265
  544   1HA   GLY  81          1HA       GLY  81  -4.204   1.774   6.390
  545   2HA   GLY  81          2HA       GLY  81  -2.571   1.425   6.922
  546    H    THR  82           H        THR  82  -4.316  -1.395   7.092
  547    HA   THR  82           HA       THR  82  -2.958  -2.518   4.843
  548    HB   THR  82           HB       THR  82  -5.164  -4.052   6.068
  549    HG1  THR  82           HG1      THR  82  -2.882  -3.396   7.609
  550   1HG2  THR  82          1HG2      THR  82  -2.465  -4.531   5.067
  551   2HG2  THR  82          2HG2      THR  82  -2.873  -5.425   6.532
  552   3HG2  THR  82          3HG2      THR  82  -3.877  -5.586   5.092
  553    H    ARG  83           H        ARG  83  -3.631  -1.880   2.870
  554    HA   ARG  83           HA       ARG  83  -6.285  -2.665   2.024
  555   1HB   ARG  83          1HB       ARG  83  -6.632  -0.360   2.841
  556   2HB   ARG  83          2HB       ARG  83  -5.384   0.209   1.742
  557   1HG   ARG  83          1HG       ARG  83  -7.247  -1.250   0.203
  558   2HG   ARG  83          2HG       ARG  83  -8.161  -0.172   1.254
  559   1HD   ARG  83          1HD       ARG  83  -5.824   1.074   0.008
  560   2HD   ARG  83          2HD       ARG  83  -7.040   0.518  -1.140
  561    HE   ARG  83           HE       ARG  83  -7.898   2.172   1.116
  562   1HH1  ARG  83          1HH1      ARG  83  -7.293   1.883  -2.313
  563   2HH1  ARG  83          2HH1      ARG  83  -8.215   3.290  -2.716
  564   1HH2  ARG  83          1HH2      ARG  83  -9.100   4.020   0.584
  565   2HH2  ARG  83          2HH2      ARG  83  -9.238   4.505  -1.073
  566    H    LEU  84           H        LEU  84  -6.488  -2.856  -0.251
  567    HA   LEU  84           HA       LEU  84  -4.402  -3.862  -1.653
  568   1HB   LEU  84          1HB       LEU  84  -6.582  -2.181  -2.892
  569   2HB   LEU  84          2HB       LEU  84  -5.635  -3.420  -3.693
  570    HG   LEU  84           HG       LEU  84  -7.808  -3.764  -1.647
  571   1HD1  LEU  84          1HD1      LEU  84  -8.209  -3.651  -4.169
  572   2HD1  LEU  84          2HD1      LEU  84  -7.409  -5.222  -4.238
  573   3HD1  LEU  84          3HD1      LEU  84  -8.886  -5.024  -3.294
  574   1HD2  LEU  84          1HD2      LEU  84  -5.548  -5.601  -2.308
  575   2HD2  LEU  84          2HD2      LEU  84  -6.295  -5.254  -0.748
  576   3HD2  LEU  84          3HD2      LEU  84  -7.136  -6.265  -1.925
  577    H    SER  85           H        SER  85  -2.537  -3.117  -2.354
  578    HA   SER  85           HA       SER  85  -1.758  -0.419  -2.109
  579   1HB   SER  85          1HB       SER  85  -0.024  -1.779  -3.922
  580   2HB   SER  85          2HB       SER  85   0.254  -1.393  -2.226
  581    HG   SER  85           HG       SER  85   0.083  -3.751  -3.164
  582    H    CYS  86           H        CYS  86  -3.311  -2.136  -4.657
  583    HA   CYS  86           HA       CYS  86  -2.615  -0.074  -6.616
  584   1HB   CYS  86          1HB       CYS  86  -3.287  -1.558  -8.299
  585   2HB   CYS  86          2HB       CYS  86  -2.518  -2.599  -7.104
  586    H    GLN  87           H        GLN  87  -4.432   0.473  -4.380
  587    HA   GLN  87           HA       GLN  87  -6.773   1.249  -5.977
  588   1HB   GLN  87          1HB       GLN  87  -6.724  -0.099  -3.301
  589   2HB   GLN  87          2HB       GLN  87  -8.066   0.949  -3.740
  590   1HG   GLN  87          1HG       GLN  87  -7.357  -1.039  -5.770
  591   2HG   GLN  87          2HG       GLN  87  -7.939  -1.710  -4.247
  592   1HE2  GLN  87          2HE2      GLN  87  -8.712   0.676  -6.736
  593   2HE2  GLN  87          1HE2      GLN  87 -10.427   0.525  -6.600
  594    H    VAL  88           H        VAL  88  -4.406   2.118  -3.605
  595    HA   VAL  88           HA       VAL  88  -5.809   4.588  -2.947
  596    HB   VAL  88           HB       VAL  88  -3.439   3.149  -1.801
  597   1HG1  VAL  88          1HG1      VAL  88  -2.891   5.582  -2.051
  598   2HG1  VAL  88          2HG1      VAL  88  -4.237   5.923  -0.963
  599   3HG1  VAL  88          3HG1      VAL  88  -2.865   4.967  -0.402
  600   1HG2  VAL  88          1HG2      VAL  88  -5.845   2.700  -1.134
  601   2HG2  VAL  88          2HG2      VAL  88  -4.702   3.031   0.169
  602   3HG2  VAL  88          3HG2      VAL  88  -5.816   4.289  -0.368
  603    H    PHE  89           H        PHE  89  -5.447   6.310  -4.233
  604    HA   PHE  89           HA       PHE  89  -2.826   6.502  -5.545
  605   1HB   PHE  89          1HB       PHE  89  -5.390   7.823  -6.400
  606   2HB   PHE  89          2HB       PHE  89  -3.879   7.768  -7.301
  607    HD1  PHE  89           HD1      PHE  89  -3.540   4.801  -6.164
  608    HD2  PHE  89           HD2      PHE  89  -6.448   6.864  -8.479
  609    HE1  PHE  89           HE1      PHE  89  -4.242   2.657  -7.172
  610    HE2  PHE  89           HE2      PHE  89  -7.157   4.737  -9.509
  611    HZ   PHE  89           HZ       PHE  89  -6.053   2.626  -8.856
  612    H    ILE  90           H        ILE  90  -1.561   8.132  -5.276
  613    HA   ILE  90           HA       ILE  90  -1.554   9.830  -3.164
  614    HB   ILE  90           HB       ILE  90  -0.275  10.024  -5.878
  615   1HG1  ILE  90          1HG1      ILE  90   0.116   8.242  -3.880
  616   2HG1  ILE  90          2HG1      ILE  90   1.364   8.722  -5.026
  617   1HG2  ILE  90          1HG2      ILE  90   0.176  11.743  -3.463
  618   2HG2  ILE  90          2HG2      ILE  90   1.396  11.493  -4.703
  619   3HG2  ILE  90          3HG2      ILE  90  -0.138  12.250  -5.116
  620   1HD1  ILE  90          1HD1      ILE  90   2.089  10.474  -3.413
  621   2HD1  ILE  90          2HD1      ILE  90   0.915   9.814  -2.270
  622   3HD1  ILE  90          3HD1      ILE  90   2.260   8.816  -2.815
  623    H    ASP  91           H        ASP  91  -1.567  12.172  -3.118
  624    HA   ASP  91           HA       ASP  91  -2.782  13.897  -4.905
  625   1HB   ASP  91          1HB       ASP  91  -5.023  13.856  -4.396
  626   2HB   ASP  91          2HB       ASP  91  -4.689  12.233  -3.812
  627    HA   PRO  92           HA       PRO  92  -0.954  16.578  -1.863
  628   1HB   PRO  92          1HB       PRO  92  -3.312  18.359  -1.767
  629   2HB   PRO  92          2HB       PRO  92  -1.665  18.707  -2.304
  630   1HG   PRO  92          1HG       PRO  92  -3.674  18.504  -4.064
  631   2HG   PRO  92          2HG       PRO  92  -2.051  17.898  -4.447
  632   1HD   PRO  92          1HD       PRO  92  -4.473  16.375  -3.550
  633   2HD   PRO  92          2HD       PRO  92  -3.306  15.967  -4.828
  634    H    SER  93           H        SER  93  -2.313  14.406  -0.831
  635    HA   SER  93           HA       SER  93  -3.102  15.330   1.821
  636   1HB   SER  93          1HB       SER  93  -5.136  14.310   1.738
  637   2HB   SER  93          2HB       SER  93  -4.924  14.416  -0.016
  638    HG   SER  93           HG       SER  93  -4.892  12.332  -0.037
  639    H    MET  94           H        MET  94  -1.756  12.903  -0.291
  640    HA   MET  94           HA       MET  94  -0.666  11.401   1.973
  641   1HB   MET  94          1HB       MET  94  -1.581  10.510  -0.769
  642   2HB   MET  94          2HB       MET  94  -0.604   9.500   0.278
  643   1HG   MET  94          1HG       MET  94  -2.324   9.042   1.666
  644   2HG   MET  94          2HG       MET  94  -3.064  10.622   1.448
  645   1HE   MET  94          1HE       MET  94  -1.872   8.805  -1.601
  646   2HE   MET  94          2HE       MET  94  -2.313   7.299  -0.795
  647   3HE   MET  94          3HE       MET  94  -3.243   7.862  -2.184
  648    H    ASP  95           H        ASP  95   0.559  13.658   1.050
  649    HA   ASP  95           HA       ASP  95   2.518  12.919  -0.883
  650   1HB   ASP  95          1HB       ASP  95   1.909  15.494   0.564
  651   2HB   ASP  95          2HB       ASP  95   3.242  15.313  -0.552
  652    H    GLY  96           H        GLY  96   4.486  12.208  -0.381
  653   1HA   GLY  96          1HA       GLY  96   6.373  11.795   0.918
  654   2HA   GLY  96          2HA       GLY  96   5.751  12.949   2.091
  655    H    LEU  97           H        LEU  97   3.743  10.367   0.897
  656    HA   LEU  97           HA       LEU  97   3.380   9.495   3.558
  657   1HB   LEU  97          1HB       LEU  97   1.599   8.188   2.894
  658   2HB   LEU  97          2HB       LEU  97   1.552   9.571   1.834
  659    HG   LEU  97           HG       LEU  97   1.013   7.274   0.869
  660   1HD1  LEU  97          1HD1      LEU  97   2.824   9.300  -0.329
  661   2HD1  LEU  97          2HD1      LEU  97   2.407   7.845  -1.234
  662   3HD1  LEU  97          3HD1      LEU  97   1.135   8.928  -0.678
  663   1HD2  LEU  97          1HD2      LEU  97   3.073   6.203   1.902
  664   2HD2  LEU  97          2HD2      LEU  97   2.718   5.817   0.221
  665   3HD2  LEU  97          3HD2      LEU  97   3.985   6.976   0.607
  666    H    ILE  98           H        ILE  98   3.410   7.277   4.241
  667    HA   ILE  98           HA       ILE  98   5.866   6.018   3.283
  668    HB   ILE  98           HB       ILE  98   4.756   6.047   6.062
  669   1HG1  ILE  98          1HG1      ILE  98   6.783   7.355   6.589
  670   2HG1  ILE  98          2HG1      ILE  98   7.216   7.340   4.878
  671   1HG2  ILE  98          1HG2      ILE  98   5.949   3.933   5.319
  672   2HG2  ILE  98          2HG2      ILE  98   7.408   4.921   5.239
  673   3HG2  ILE  98          3HG2      ILE  98   6.555   4.728   6.772
  674   1HD1  ILE  98          1HD1      ILE  98   4.523   8.256   5.310
  675   2HD1  ILE  98          2HD1      ILE  98   5.698   9.244   6.172
  676   3HD1  ILE  98          3HD1      ILE  98   5.836   9.021   4.428
  677    H    VAL  99           H        VAL  99   5.829   3.964   2.672
  678    HA   VAL  99           HA       VAL  99   3.394   2.468   3.250
  679    HB   VAL  99           HB       VAL  99   4.909   1.611   0.927
  680   1HG1  VAL  99          1HG1      VAL  99   2.234   1.655   2.041
  681   2HG1  VAL  99          2HG1      VAL  99   2.272   1.958   0.303
  682   3HG1  VAL  99          3HG1      VAL  99   2.998   0.489   0.950
  683   1HG2  VAL  99          1HG2      VAL  99   3.403   4.227   0.934
  684   2HG2  VAL  99          2HG2      VAL  99   5.120   4.007   0.601
  685   3HG2  VAL  99          3HG2      VAL  99   3.917   3.365  -0.516
  686    H    ARG 100           H        ARG 100   3.537   0.227   3.637
  687    HA   ARG 100           HA       ARG 100   6.233  -0.858   3.935
  688   1HB   ARG 100          1HB       ARG 100   4.431  -1.574   6.144
  689   2HB   ARG 100          2HB       ARG 100   6.148  -1.196   6.166
  690   1HG   ARG 100          1HG       ARG 100   5.538   1.214   5.924
  691   2HG   ARG 100          2HG       ARG 100   3.851   0.744   6.137
  692   1HD   ARG 100          1HD       ARG 100   5.757   1.314   8.124
  693   2HD   ARG 100          2HD       ARG 100   4.104   0.747   8.342
  694    HE   ARG 100           HE       ARG 100   5.264  -1.564   7.996
  695   1HH1  ARG 100          1HH1      ARG 100   6.486   1.173   9.788
  696   2HH1  ARG 100          2HH1      ARG 100   7.438   0.200  10.855
  697   1HH2  ARG 100          1HH2      ARG 100   6.511  -2.836   9.400
  698   2HH2  ARG 100          2HH2      ARG 100   7.453  -2.075  10.638
  699    H    VAL 101           H        VAL 101   6.363  -3.128   3.985
  700    HA   VAL 101           HA       VAL 101   4.041  -4.439   2.748
  701    HB   VAL 101           HB       VAL 101   6.965  -5.209   2.722
  702   1HG1  VAL 101          1HG1      VAL 101   4.913  -6.968   2.580
  703   2HG1  VAL 101          2HG1      VAL 101   5.104  -6.542   0.879
  704   3HG1  VAL 101          3HG1      VAL 101   6.471  -7.191   1.784
  705   1HG2  VAL 101          1HG2      VAL 101   5.311  -3.563   0.989
  706   2HG2  VAL 101          2HG2      VAL 101   7.066  -3.726   1.062
  707   3HG2  VAL 101          3HG2      VAL 101   6.113  -4.874   0.125
  708    HA   PRO 102           HA       PRO 102   3.182  -6.589   6.555
  709   1HB   PRO 102          1HB       PRO 102   2.317  -8.649   4.578
  710   2HB   PRO 102          2HB       PRO 102   1.477  -8.037   6.009
  711   1HG   PRO 102          1HG       PRO 102   0.764  -7.218   3.597
  712   2HG   PRO 102          2HG       PRO 102   0.828  -6.083   4.956
  713   1HD   PRO 102          1HD       PRO 102   2.707  -6.397   2.661
  714   2HD   PRO 102          2HD       PRO 102   2.235  -4.930   3.542
  715    H    LEU 103           H        LEU 103   3.184  -9.164   6.949
  716    HA   LEU 103           HA       LEU 103   6.004  -9.927   6.613
  717   1HB   LEU 103          1HB       LEU 103   3.978 -11.005   8.572
  718   2HB   LEU 103          2HB       LEU 103   5.691 -11.375   8.541
  719    HG   LEU 103           HG       LEU 103   4.537  -8.642   9.094
  720   1HD1  LEU 103          1HD1      LEU 103   4.157 -10.537  10.802
  721   2HD1  LEU 103          2HD1      LEU 103   5.887 -10.395  11.108
  722   3HD1  LEU 103          3HD1      LEU 103   4.829  -9.007  11.364
  723   1HD2  LEU 103          1HD2      LEU 103   7.024  -9.247   8.164
  724   2HD2  LEU 103          2HD2      LEU 103   6.626  -7.834   9.141
  725   3HD2  LEU 103          3HD2      LEU 103   7.273  -9.282   9.910
  726    HA   PRO 104           HA       PRO 104   5.053 -13.250   3.879
  727   1HB   PRO 104          1HB       PRO 104   6.949 -15.056   4.692
  728   2HB   PRO 104          2HB       PRO 104   7.293 -13.668   3.656
  729   1HG   PRO 104          1HG       PRO 104   7.660 -13.961   6.613
  730   2HG   PRO 104          2HG       PRO 104   8.754 -13.241   5.416
  731   1HD   PRO 104          1HD       PRO 104   7.219 -11.710   6.984
  732   2HD   PRO 104          2HD       PRO 104   7.519 -11.276   5.288
  733    H    ALA 105           H        ALA 105   5.123 -15.831   4.130
  734    HA   ALA 105           HA       ALA 105   2.831 -16.518   5.569
  735   1HB   ALA 105          1HB       ALA 105   3.864 -17.732   3.592
  736   2HB   ALA 105          2HB       ALA 105   4.938 -18.503   4.760
  737   3HB   ALA 105          3HB       ALA 105   3.195 -18.738   4.875
  Start of MODEL    4
    1   2H    PRO   1          2H        PRO   1   3.714  14.868  -5.422
    2   1H    PRO   1          1H        PRO   1   4.447  13.405  -5.618
    3    HA   PRO   1           HA       PRO   1   4.364  15.011  -3.455
    4   1HB   PRO   1          1HB       PRO   1   3.464  12.307  -2.638
    5   2HB   PRO   1          2HB       PRO   1   3.180  13.859  -1.881
    6   1HG   PRO   1          1HG       PRO   1   1.240  12.803  -3.186
    7   2HG   PRO   1          2HG       PRO   1   1.618  14.510  -3.490
    8   1HD   PRO   1          1HD       PRO   1   2.517  12.102  -5.073
    9   2HD   PRO   1          2HD       PRO   1   1.662  13.527  -5.665
   10    H    ARG   2           H        ARG   2   5.218  13.334  -1.587
   11    HA   ARG   2           HA       ARG   2   7.623  12.039  -2.750
   12   1HB   ARG   2          1HB       ARG   2   8.328  13.959  -1.480
   13   2HB   ARG   2          2HB       ARG   2   7.233  13.569  -0.165
   14   1HG   ARG   2          1HG       ARG   2   9.064  12.751   0.814
   15   2HG   ARG   2          2HG       ARG   2   8.794  11.351  -0.218
   16   1HD   ARG   2          1HD       ARG   2  10.589  11.787  -1.491
   17   2HD   ARG   2          2HD       ARG   2  10.275  13.522  -1.502
   18    HE   ARG   2           HE       ARG   2  12.012  12.084   0.281
   19   1HH1  ARG   2          1HH1      ARG   2  10.097  14.958  -0.159
   20   2HH1  ARG   2          2HH1      ARG   2  10.994  15.890   0.991
   21   1HH2  ARG   2          1HH2      ARG   2  13.204  13.304   1.798
   22   2HH2  ARG   2          2HH2      ARG   2  12.761  14.950   2.104
   23    H    VAL   3           H        VAL   3   8.326  10.012  -1.441
   24    HA   VAL   3           HA       VAL   3   6.305   9.082   0.373
   25    HB   VAL   3           HB       VAL   3   6.284   8.344  -2.451
   26   1HG1  VAL   3          1HG1      VAL   3   7.122   6.260  -1.075
   27   2HG1  VAL   3          2HG1      VAL   3   5.411   6.170  -0.677
   28   3HG1  VAL   3          3HG1      VAL   3   5.925   6.152  -2.369
   29   1HG2  VAL   3          1HG2      VAL   3   4.479   8.617  -0.162
   30   2HG2  VAL   3          2HG2      VAL   3   4.332   9.225  -1.819
   31   3HG2  VAL   3          3HG2      VAL   3   4.009   7.524  -1.470
   32    H    VAL   4           H        VAL   4   6.695   6.906   1.155
   33    HA   VAL   4           HA       VAL   4   9.381   5.932   0.774
   34    HB   VAL   4           HB       VAL   4   8.539   7.157   3.366
   35   1HG1  VAL   4          1HG1      VAL   4  10.002   4.650   3.006
   36   2HG1  VAL   4          2HG1      VAL   4  10.882   5.850   3.956
   37   3HG1  VAL   4          3HG1      VAL   4   9.272   5.333   4.462
   38   1HG2  VAL   4          1HG2      VAL   4  10.781   7.353   1.432
   39   2HG2  VAL   4          2HG2      VAL   4   9.886   8.633   2.253
   40   3HG2  VAL   4          3HG2      VAL   4  11.107   7.707   3.130
   41    H    PHE   5           H        PHE   5   9.085   3.974   0.350
   42    HA   PHE   5           HA       PHE   5   6.920   2.388   1.517
   43   1HB   PHE   5          1HB       PHE   5   8.993   1.955  -0.611
   44   2HB   PHE   5          2HB       PHE   5   8.007   0.635  -0.020
   45    HD1  PHE   5           HD1      PHE   5   6.642   4.079  -0.530
   46    HD2  PHE   5           HD2      PHE   5   7.065   0.137  -2.095
   47    HE1  PHE   5           HE1      PHE   5   4.996   4.575  -2.259
   48    HE2  PHE   5           HE2      PHE   5   5.413   0.616  -3.798
   49    HZ   PHE   5           HZ       PHE   5   4.341   2.831  -3.884
   50    H    ILE   6           H        ILE   6   7.684   0.066   2.054
   51    HA   ILE   6           HA       ILE   6  10.293  -0.176   3.225
   52    HB   ILE   6           HB       ILE   6   7.846  -0.602   4.908
   53   1HG1  ILE   6          1HG1      ILE   6   8.224   1.818   4.345
   54   2HG1  ILE   6          2HG1      ILE   6   8.368   1.464   6.063
   55   1HG2  ILE   6          1HG2      ILE   6  10.781  -0.624   5.464
   56   2HG2  ILE   6          2HG2      ILE   6   9.536  -0.705   6.709
   57   3HG2  ILE   6          3HG2      ILE   6   9.665  -1.985   5.502
   58   1HD1  ILE   6          1HD1      ILE   6  10.756   1.498   4.305
   59   2HD1  ILE   6          2HD1      ILE   6  10.073   2.999   4.920
   60   3HD1  ILE   6          3HD1      ILE   6  10.651   1.763   6.042
   61    H    ASP   7           H        ASP   7  10.680  -2.435   3.943
   62    HA   ASP   7           HA       ASP   7   8.794  -4.483   3.432
   63   1HB   ASP   7          1HB       ASP   7   9.591  -3.515   1.115
   64   2HB   ASP   7          2HB       ASP   7  10.977  -4.564   1.405
   65    H    GLU   8           H        GLU   8  10.283  -6.624   2.894
   66    HA   GLU   8           HA       GLU   8  12.148  -6.688   5.146
   67   1HB   GLU   8          1HB       GLU   8   9.972  -8.251   4.595
   68   2HB   GLU   8          2HB       GLU   8  11.288  -9.233   3.977
   69   1HG   GLU   8          1HG       GLU   8  12.134  -8.291   6.467
   70   2HG   GLU   8          2HG       GLU   8  10.456  -8.787   6.673
   71    H    GLN   9           H        GLN   9  12.253  -6.411   1.882
   72    HA   GLN   9           HA       GLN   9  14.471  -8.245   1.439
   73   1HB   GLN   9          1HB       GLN   9  12.824  -6.459  -0.319
   74   2HB   GLN   9          2HB       GLN   9  14.377  -7.056  -0.888
   75   1HG   GLN   9          1HG       GLN   9  12.153  -8.825   0.097
   76   2HG   GLN   9          2HG       GLN   9  12.419  -8.412  -1.597
   77   1HE2  GLN   9          2HE2      GLN   9  14.757  -8.808  -2.312
   78   2HE2  GLN   9          1HE2      GLN   9  15.442 -10.320  -1.834
   79    H    SER  10           H        SER  10  13.834  -4.788   1.624
   80    HA   SER  10           HA       SER  10  16.734  -4.332   1.858
   81   1HB   SER  10          1HB       SER  10  15.499  -3.537  -0.334
   82   2HB   SER  10          2HB       SER  10  14.976  -2.206   0.697
   83    HG   SER  10           HG       SER  10  16.880  -1.565  -0.193
   84    H    GLY  11           H        GLY  11  13.818  -4.221   3.375
   85   1HA   GLY  11          1HA       GLY  11  13.104  -3.301   5.338
   86   2HA   GLY  11          2HA       GLY  11  14.774  -2.862   5.631
   87    H    GLU  12           H        GLU  12  13.399  -1.667   2.757
   88    HA   GLU  12           HA       GLU  12  11.995   0.556   3.464
   89   1HB   GLU  12          1HB       GLU  12  13.662   1.455   4.838
   90   2HB   GLU  12          2HB       GLU  12  14.947   1.016   3.720
   91   1HG   GLU  12          1HG       GLU  12  14.218   2.709   2.159
   92   2HG   GLU  12          2HG       GLU  12  12.844   3.103   3.189
   93    H    TYR  13           H        TYR  13  11.471   1.835   1.795
   94    HA   TYR  13           HA       TYR  13  12.954   1.625  -0.689
   95   1HB   TYR  13          1HB       TYR  13  10.144   0.647  -0.280
   96   2HB   TYR  13          2HB       TYR  13  10.772   1.061  -1.874
   97    HD1  TYR  13           HD1      TYR  13  11.313  -1.123   1.067
   98    HD2  TYR  13           HD2      TYR  13  12.116  -0.440  -3.044
   99    HE1  TYR  13           HE1      TYR  13  12.317  -3.372   0.901
  100    HE2  TYR  13           HE2      TYR  13  13.094  -2.664  -3.250
  101    HH   TYR  13           HH       TYR  13  13.784  -4.634  -0.462
  102    H    ALA  14           H        ALA  14  13.103   3.847   0.522
  103    HA   ALA  14           HA       ALA  14  11.102   5.742   0.543
  104   1HB   ALA  14          1HB       ALA  14  14.040   5.816   0.378
  105   2HB   ALA  14          2HB       ALA  14  13.207   7.276  -0.154
  106   3HB   ALA  14          3HB       ALA  14  12.942   6.654   1.475
  107    H    VAL  15           H        VAL  15  10.211   7.156  -0.901
  108    HA   VAL  15           HA       VAL  15  11.129   7.385  -3.590
  109    HB   VAL  15           HB       VAL  15  10.069   5.104  -3.428
  110   1HG1  VAL  15          1HG1      VAL  15   7.534   6.739  -3.260
  111   2HG1  VAL  15          2HG1      VAL  15   7.596   5.038  -3.765
  112   3HG1  VAL  15          3HG1      VAL  15   8.119   5.490  -2.155
  113   1HG2  VAL  15          1HG2      VAL  15  10.055   7.081  -5.458
  114   2HG2  VAL  15          2HG2      VAL  15  10.175   5.336  -5.628
  115   3HG2  VAL  15          3HG2      VAL  15   8.594   6.111  -5.613
  116    H    ASP  16           H        ASP  16   8.583   7.811  -4.689
  117    HA   ASP  16           HA       ASP  16   7.274   9.896  -3.258
  118   1HB   ASP  16          1HB       ASP  16   8.321  10.599  -5.931
  119   2HB   ASP  16          2HB       ASP  16   7.848  11.660  -4.614
  120    H    ALA  17           H        ALA  17   5.486  10.699  -4.543
  121    HA   ALA  17           HA       ALA  17   4.695   8.941  -6.738
  122   1HB   ALA  17          1HB       ALA  17   3.968   8.454  -4.204
  123   2HB   ALA  17          2HB       ALA  17   2.638   9.515  -4.752
  124   3HB   ALA  17          3HB       ALA  17   3.001   8.013  -5.626
  125    H    GLN  18           H        GLN  18   2.238   9.731  -7.221
  126    HA   GLN  18           HA       GLN  18   2.153  12.653  -7.261
  127   1HB   GLN  18          1HB       GLN  18   1.708  11.072  -9.790
  128   2HB   GLN  18          2HB       GLN  18   1.837  12.817  -9.614
  129   1HG   GLN  18          1HG       GLN  18   4.216  12.416  -8.839
  130   2HG   GLN  18          2HG       GLN  18   4.012  10.764  -9.418
  131   1HE2  GLN  18          2HE2      GLN  18   5.924  12.549 -10.411
  132   2HE2  GLN  18          1HE2      GLN  18   5.545  12.894 -12.061
  133    H    ASP  19           H        ASP  19   0.168  13.388  -6.838
  134    HA   ASP  19           HA       ASP  19  -1.913  11.968  -5.929
  135   1HB   ASP  19          1HB       ASP  19  -2.436  14.319  -7.710
  136   2HB   ASP  19          2HB       ASP  19  -3.335  13.817  -6.290
  137    H    GLY  20           H        GLY  20  -2.790  10.222  -6.670
  138   1HA   GLY  20          1HA       GLY  20  -4.563   9.485  -8.244
  139   2HA   GLY  20          2HA       GLY  20  -3.544  10.136  -9.521
  140    H    GLN  21           H        GLN  21  -1.429   8.863  -7.339
  141    HA   GLN  21           HA       GLN  21  -1.485   6.239  -8.695
  142   1HB   GLN  21          1HB       GLN  21   0.901   7.778  -7.662
  143   2HB   GLN  21          2HB       GLN  21   0.963   6.179  -8.390
  144   1HG   GLN  21          1HG       GLN  21   0.570   6.979 -10.507
  145   2HG   GLN  21          2HG       GLN  21  -0.224   8.437  -9.919
  146   1HE2  GLN  21          2HE2      GLN  21   2.629   7.700  -8.258
  147   2HE2  GLN  21          1HE2      GLN  21   3.661   8.824  -9.049
  148    H    SER  22           H        SER  22  -0.811   4.419  -7.471
  149    HA   SER  22           HA       SER  22  -1.361   4.791  -4.629
  150   1HB   SER  22          1HB       SER  22  -1.803   2.338  -4.605
  151   2HB   SER  22          2HB       SER  22  -2.841   3.203  -5.737
  152    HG   SER  22           HG       SER  22  -0.518   2.393  -6.891
  153    H    LEU  23           H        LEU  23  -0.319   2.722  -3.403
  154    HA   LEU  23           HA       LEU  23   2.546   3.237  -3.573
  155   1HB   LEU  23          1HB       LEU  23   0.981   1.546  -1.621
  156   2HB   LEU  23          2HB       LEU  23   2.678   1.967  -1.483
  157    HG   LEU  23           HG       LEU  23   1.816   3.538  -0.082
  158   1HD1  LEU  23          1HD1      LEU  23   1.598   4.745  -2.822
  159   2HD1  LEU  23          2HD1      LEU  23   1.349   5.683  -1.352
  160   3HD1  LEU  23          3HD1      LEU  23   2.904   4.906  -1.647
  161   1HD2  LEU  23          1HD2      LEU  23  -0.511   2.697  -0.442
  162   2HD2  LEU  23          2HD2      LEU  23  -0.393   4.432  -0.151
  163   3HD2  LEU  23          3HD2      LEU  23  -0.647   3.828  -1.788
  164    H    MET  24           H        MET  24   0.676   1.402  -5.324
  165    HA   MET  24           HA       MET  24   2.264  -1.051  -5.190
  166   1HB   MET  24          1HB       MET  24  -0.178  -1.313  -5.321
  167   2HB   MET  24          2HB       MET  24  -0.205  -0.385  -6.813
  168   1HG   MET  24          1HG       MET  24   1.610  -2.388  -7.340
  169   2HG   MET  24          2HG       MET  24   0.377  -3.191  -6.372
  170   1HE   MET  24          1HE       MET  24  -0.319  -4.782  -8.057
  171   2HE   MET  24          2HE       MET  24  -1.028  -4.440  -9.635
  172   3HE   MET  24          3HE       MET  24   0.712  -4.272  -9.395
  173    H    GLU  25           H        GLU  25   1.596   1.749  -7.143
  174    HA   GLU  25           HA       GLU  25   3.215   0.765  -9.337
  175   1HB   GLU  25          1HB       GLU  25   2.346   3.575  -9.402
  176   2HB   GLU  25          2HB       GLU  25   2.217   2.329 -10.637
  177   1HG   GLU  25          1HG       GLU  25   0.377   1.371  -9.043
  178   2HG   GLU  25          2HG       GLU  25   0.337   3.025  -8.437
  179    H    VAL  26           H        VAL  26   3.428   3.248  -6.797
  180    HA   VAL  26           HA       VAL  26   5.736   4.493  -7.688
  181    HB   VAL  26           HB       VAL  26   5.904   3.750  -4.851
  182   1HG1  VAL  26          1HG1      VAL  26   6.207   6.136  -6.559
  183   2HG1  VAL  26          2HG1      VAL  26   6.009   6.329  -4.818
  184   3HG1  VAL  26          3HG1      VAL  26   7.325   5.365  -5.454
  185   1HG2  VAL  26          1HG2      VAL  26   3.474   3.912  -5.110
  186   2HG2  VAL  26          2HG2      VAL  26   4.196   5.137  -4.068
  187   3HG2  VAL  26          3HG2      VAL  26   3.702   5.558  -5.712
  188    H    ALA  27           H        ALA  27   5.444   1.735  -5.537
  189    HA   ALA  27           HA       ALA  27   7.805   0.812  -5.035
  190   1HB   ALA  27          1HB       ALA  27   5.326  -0.408  -5.353
  191   2HB   ALA  27          2HB       ALA  27   6.453  -1.402  -6.279
  192   3HB   ALA  27          3HB       ALA  27   6.750  -1.090  -4.565
  193    H    THR  28           H        THR  28   6.402  -0.522  -7.981
  194    HA   THR  28           HA       THR  28   8.710  -1.505  -9.069
  195    HB   THR  28           HB       THR  28   7.486  -1.979 -10.902
  196    HG1  THR  28           HG1      THR  28   6.894  -0.465 -12.223
  197   1HG2  THR  28          1HG2      THR  28   5.831  -2.178  -9.000
  198   2HG2  THR  28          2HG2      THR  28   5.144  -0.665  -9.591
  199   3HG2  THR  28          3HG2      THR  28   5.173  -2.088 -10.633
  200    H    GLN  29           H        GLN  29   7.559   1.773  -9.014
  201    HA   GLN  29           HA       GLN  29   9.509   2.743 -10.898
  202   1HB   GLN  29          1HB       GLN  29   7.888   4.333  -8.910
  203   2HB   GLN  29          2HB       GLN  29   8.710   4.956 -10.332
  204   1HG   GLN  29          1HG       GLN  29   6.875   2.848 -11.034
  205   2HG   GLN  29          2HG       GLN  29   6.065   4.135 -10.143
  206   1HE2  GLN  29          2HE2      GLN  29   8.871   4.595 -12.177
  207   2HE2  GLN  29          1HE2      GLN  29   8.075   5.521 -13.399
  208    H    ASN  30           H        ASN  30   9.279   2.352  -7.459
  209    HA   ASN  30           HA       ASN  30  11.718   3.841  -6.939
  210   1HB   ASN  30          1HB       ASN  30  10.641   2.204  -4.758
  211   2HB   ASN  30          2HB       ASN  30  10.992   3.916  -4.786
  212   1HD2  ASN  30          2HD2      ASN  30   8.646   2.368  -3.795
  213   2HD2  ASN  30          1HD2      ASN  30   7.296   3.044  -4.565
  214    H    GLY  31           H        GLY  31  11.224   0.956  -8.269
  215   1HA   GLY  31          1HA       GLY  31  12.702  -0.804  -8.622
  216   2HA   GLY  31          2HA       GLY  31  13.781  -0.092  -7.428
  217    H    VAL  32           H        VAL  32  10.765  -0.185  -6.128
  218    HA   VAL  32           HA       VAL  32  11.327  -1.998  -4.117
  219    HB   VAL  32           HB       VAL  32   8.598  -1.252  -5.074
  220   1HG1  VAL  32          1HG1      VAL  32   8.879  -2.905  -3.190
  221   2HG1  VAL  32          2HG1      VAL  32   9.501  -1.538  -2.249
  222   3HG1  VAL  32          3HG1      VAL  32   7.853  -1.496  -2.886
  223   1HG2  VAL  32          1HG2      VAL  32  10.622   0.393  -3.645
  224   2HG2  VAL  32          2HG2      VAL  32   9.616   0.819  -5.030
  225   3HG2  VAL  32          3HG2      VAL  32   8.894   0.676  -3.422
  226    HA   PRO  33           HA       PRO  33  11.022  -6.215  -5.159
  227   1HB   PRO  33          1HB       PRO  33   8.591  -6.284  -3.481
  228   2HB   PRO  33          2HB       PRO  33  10.098  -7.188  -3.325
  229   1HG   PRO  33          1HG       PRO  33   9.338  -4.772  -1.972
  230   2HG   PRO  33          2HG       PRO  33  10.835  -5.685  -1.797
  231   1HD   PRO  33          1HD       PRO  33  10.668  -3.175  -2.846
  232   2HD   PRO  33          2HD       PRO  33  11.964  -4.315  -3.216
  233    H    GLY  34           H        GLY  34  10.172  -5.027  -7.262
  234   1HA   GLY  34          1HA       GLY  34   8.431  -4.777  -8.860
  235   2HA   GLY  34          2HA       GLY  34   8.841  -6.480  -8.900
  236    H    ILE  35           H        ILE  35   6.947  -4.593  -6.538
  237    HA   ILE  35           HA       ILE  35   4.858  -4.957  -5.677
  238    HB   ILE  35           HB       ILE  35   4.458  -5.556  -8.596
  239   1HG1  ILE  35          1HG1      ILE  35   3.366  -3.248  -7.007
  240   2HG1  ILE  35          2HG1      ILE  35   4.997  -3.216  -7.671
  241   1HG2  ILE  35          1HG2      ILE  35   2.327  -5.403  -6.470
  242   2HG2  ILE  35          2HG2      ILE  35   2.029  -5.409  -8.207
  243   3HG2  ILE  35          3HG2      ILE  35   2.756  -6.816  -7.434
  244   1HD1  ILE  35          1HD1      ILE  35   4.015  -3.614  -9.919
  245   2HD1  ILE  35          2HD1      ILE  35   2.416  -3.446  -9.196
  246   3HD1  ILE  35          3HD1      ILE  35   3.537  -2.087  -9.180
  247    H    VAL  36           H        VAL  36   3.110  -6.622  -5.310
  248    HA   VAL  36           HA       VAL  36   4.273  -9.327  -5.426
  249    HB   VAL  36           HB       VAL  36   2.127  -8.737  -3.461
  250   1HG1  VAL  36          1HG1      VAL  36   4.003 -10.783  -3.981
  251   2HG1  VAL  36          2HG1      VAL  36   4.422 -10.076  -2.420
  252   3HG1  VAL  36          3HG1      VAL  36   2.799 -10.709  -2.694
  253   1HG2  VAL  36          1HG2      VAL  36   3.642  -6.769  -3.329
  254   2HG2  VAL  36          2HG2      VAL  36   3.618  -7.745  -1.860
  255   3HG2  VAL  36          3HG2      VAL  36   4.975  -7.869  -2.979
  256    H    ALA  37           H        ALA  37   1.515  -7.357  -6.148
  257    HA   ALA  37           HA       ALA  37  -0.257  -9.590  -6.632
  258   1HB   ALA  37          1HB       ALA  37  -0.528  -6.627  -7.073
  259   2HB   ALA  37          2HB       ALA  37  -1.775  -7.788  -7.530
  260   3HB   ALA  37          3HB       ALA  37  -1.303  -7.620  -5.839
  261    H    GLU  38           H        GLU  38  -0.740 -10.520  -8.554
  262    HA   GLU  38           HA       GLU  38   0.948  -9.792 -10.823
  263   1HB   GLU  38          1HB       GLU  38   0.271 -11.969 -11.756
  264   2HB   GLU  38          2HB       GLU  38   0.978 -12.128 -10.154
  265   1HG   GLU  38          1HG       GLU  38  -0.837 -13.555 -10.083
  266   2HG   GLU  38          2HG       GLU  38  -1.443 -12.095  -9.305
  267    H    CYS  39           H        CYS  39  -2.151  -9.153  -9.748
  268    HA   CYS  39           HA       CYS  39  -3.411  -9.190 -12.353
  269   1HB   CYS  39          1HB       CYS  39  -5.374  -9.067 -11.249
  270   2HB   CYS  39          2HB       CYS  39  -4.410  -9.469  -9.837
  271    H    GLY  40           H        GLY  40  -1.083  -7.353 -11.443
  272   1HA   GLY  40          1HA       GLY  40  -0.456  -5.141 -11.685
  273   2HA   GLY  40          2HA       GLY  40  -1.351  -5.302 -13.188
  274    H    GLY  41           H        GLY  41  -2.860  -5.487 -10.026
  275   1HA   GLY  41          1HA       GLY  41  -4.266  -4.035  -8.918
  276   2HA   GLY  41          2HA       GLY  41  -3.631  -2.739  -9.919
  277    H    SER  42           H        SER  42  -4.879  -5.454 -11.596
  278    HA   SER  42           HA       SER  42  -6.935  -3.869 -12.797
  279   1HB   SER  42          1HB       SER  42  -5.850  -5.472 -14.197
  280   2HB   SER  42          2HB       SER  42  -6.176  -6.780 -13.061
  281    HG   SER  42           HG       SER  42  -8.336  -5.351 -14.121
  282    H    CYS  43           H        CYS  43  -6.846  -5.270  -9.856
  283    HA   CYS  43           HA       CYS  43  -8.450  -5.687  -8.291
  284   1HB   CYS  43          1HB       CYS  43  -9.644  -3.847  -9.792
  285   2HB   CYS  43          2HB       CYS  43 -10.686  -5.204 -10.206
  286    HG   CYS  43           HG       CYS  43 -10.335  -4.416  -7.225
  287    H    VAL  44           H        VAL  44  -7.448  -7.883  -9.141
  288    HA   VAL  44           HA       VAL  44  -9.700  -9.709  -9.331
  289    HB   VAL  44           HB       VAL  44  -7.431 -10.053 -11.278
  290   1HG1  VAL  44          1HG1      VAL  44  -9.901 -11.488 -10.594
  291   2HG1  VAL  44          2HG1      VAL  44  -9.606 -11.290 -12.321
  292   3HG1  VAL  44          3HG1      VAL  44  -8.400 -12.081 -11.306
  293   1HG2  VAL  44          1HG2      VAL  44 -10.051  -8.626 -11.680
  294   2HG2  VAL  44          2HG2      VAL  44  -8.422  -8.011 -11.964
  295   3HG2  VAL  44          3HG2      VAL  44  -9.086  -9.265 -13.011
  296    H    CYS  45           H        CYS  45  -7.311  -8.892  -7.563
  297    HA   CYS  45           HA       CYS  45  -6.649 -11.623  -6.802
  298   1HB   CYS  45          1HB       CYS  45  -4.350 -11.450  -6.955
  299   2HB   CYS  45          2HB       CYS  45  -4.852 -10.542  -8.376
  300    H    ALA  46           H        ALA  46  -5.075 -11.415  -4.765
  301    HA   ALA  46           HA       ALA  46  -5.969  -9.222  -3.044
  302   1HB   ALA  46          1HB       ALA  46  -7.475 -11.247  -2.789
  303   2HB   ALA  46          2HB       ALA  46  -6.081 -12.072  -2.090
  304   3HB   ALA  46          3HB       ALA  46  -6.734 -10.630  -1.312
  305    H    THR  47           H        THR  47  -3.450 -10.410  -4.388
  306    HA   THR  47           HA       THR  47  -1.748 -11.041  -2.148
  307    HB   THR  47           HB       THR  47  -0.088 -10.519  -4.303
  308    HG1  THR  47           HG1      THR  47  -1.203 -11.624  -6.021
  309   1HG2  THR  47          1HG2      THR  47  -0.493 -12.632  -2.746
  310   2HG2  THR  47          2HG2      THR  47  -1.303 -13.210  -4.203
  311   3HG2  THR  47          3HG2      THR  47   0.392 -12.725  -4.269
  312    H    CYS  48           H        CYS  48  -2.879  -8.209  -3.600
  313    HA   CYS  48           HA       CYS  48  -0.555  -6.587  -3.085
  314   1HB   CYS  48          1HB       CYS  48  -2.137  -4.689  -3.614
  315   2HB   CYS  48          2HB       CYS  48  -1.933  -5.880  -4.894
  316    H    ARG  49           H        ARG  49  -0.975  -7.823  -0.770
  317    HA   ARG  49           HA       ARG  49  -2.664  -6.243   0.966
  318   1HB   ARG  49          1HB       ARG  49  -1.558  -8.831   1.056
  319   2HB   ARG  49          2HB       ARG  49  -0.822  -7.947   2.385
  320   1HG   ARG  49          1HG       ARG  49  -2.860  -9.140   3.053
  321   2HG   ARG  49          2HG       ARG  49  -2.992  -7.395   3.280
  322   1HD   ARG  49          1HD       ARG  49  -3.879  -8.180   0.646
  323   2HD   ARG  49          2HD       ARG  49  -4.756  -9.057   1.899
  324    HE   ARG  49           HE       ARG  49  -4.928  -6.247   1.300
  325   1HH1  ARG  49          1HH1      ARG  49  -5.405  -8.703   3.723
  326   2HH1  ARG  49          2HH1      ARG  49  -6.575  -7.784   4.609
  327   1HH2  ARG  49          1HH2      ARG  49  -6.467  -5.028   2.460
  328   2HH2  ARG  49          2HH2      ARG  49  -7.180  -5.696   3.891
  329    H    ILE  50           H        ILE  50  -1.190  -4.370   0.025
  330    HA   ILE  50           HA       ILE  50   1.327  -4.024   1.374
  331    HB   ILE  50           HB       ILE  50  -0.343  -2.105  -0.249
  332   1HG1  ILE  50          1HG1      ILE  50   1.937  -3.954  -0.829
  333   2HG1  ILE  50          2HG1      ILE  50   0.491  -3.633  -1.780
  334   1HG2  ILE  50          1HG2      ILE  50   1.100  -1.011   1.494
  335   2HG2  ILE  50          2HG2      ILE  50   2.496  -1.695   0.660
  336   3HG2  ILE  50          3HG2      ILE  50   1.449  -0.546  -0.170
  337   1HD1  ILE  50          1HD1      ILE  50   1.714  -1.227  -1.892
  338   2HD1  ILE  50          2HD1      ILE  50   3.104  -2.309  -1.803
  339   3HD1  ILE  50          3HD1      ILE  50   1.913  -2.507  -3.088
  340    H    GLU  51           H        GLU  51   1.786  -2.452   2.989
  341    HA   GLU  51           HA       GLU  51  -0.590  -1.513   4.447
  342   1HB   GLU  51          1HB       GLU  51   1.778  -3.034   5.446
  343   2HB   GLU  51          2HB       GLU  51   1.004  -1.872   6.513
  344   1HG   GLU  51          1HG       GLU  51  -1.050  -3.043   6.450
  345   2HG   GLU  51          2HG       GLU  51  -0.501  -4.067   5.123
  346    H    ILE  52           H        ILE  52  -0.636   0.582   4.730
  347    HA   ILE  52           HA       ILE  52   1.540   2.312   4.087
  348    HB   ILE  52           HB       ILE  52  -1.030   2.876   5.590
  349   1HG1  ILE  52          1HG1      ILE  52  -1.107   1.950   3.177
  350   2HG1  ILE  52          2HG1      ILE  52  -2.051   3.387   3.559
  351   1HG2  ILE  52          1HG2      ILE  52   1.239   4.525   5.110
  352   2HG2  ILE  52          2HG2      ILE  52  -0.123   5.148   4.180
  353   3HG2  ILE  52          3HG2      ILE  52  -0.276   4.927   5.922
  354   1HD1  ILE  52          1HD1      ILE  52   0.711   3.623   2.456
  355   2HD1  ILE  52          2HD1      ILE  52  -0.676   3.343   1.400
  356   3HD1  ILE  52          3HD1      ILE  52  -0.617   4.786   2.415
  357    H    GLU  53           H        GLU  53   2.861   3.578   5.603
  358    HA   GLU  53           HA       GLU  53   3.565   2.136   7.929
  359   1HB   GLU  53          1HB       GLU  53   4.828   4.033   8.653
  360   2HB   GLU  53          2HB       GLU  53   4.911   4.004   6.894
  361   1HG   GLU  53          1HG       GLU  53   3.372   5.795   8.679
  362   2HG   GLU  53          2HG       GLU  53   4.505   6.211   7.418
  363    H    ASP  54           H        ASP  54   3.355   3.446  10.264
  364    HA   ASP  54           HA       ASP  54   0.463   3.490  10.651
  365   1HB   ASP  54          1HB       ASP  54   2.694   3.421  12.692
  366   2HB   ASP  54          2HB       ASP  54   0.975   3.331  13.067
  367    H    ALA  55           H        ALA  55   1.999   5.730   9.501
  368    HA   ALA  55           HA       ALA  55   1.260   7.836  11.416
  369   1HB   ALA  55          1HB       ALA  55   3.682   7.413  10.076
  370   2HB   ALA  55          2HB       ALA  55   2.916   8.772   9.251
  371   3HB   ALA  55          3HB       ALA  55   3.206   8.843  10.992
  372    H    TRP  56           H        TRP  56   1.018   6.598   8.209
  373    HA   TRP  56           HA       TRP  56  -0.600   8.874   7.370
  374   1HB   TRP  56          1HB       TRP  56   0.755   6.728   5.781
  375   2HB   TRP  56          2HB       TRP  56  -0.083   8.119   5.121
  376    HD1  TRP  56           HD1      TRP  56   2.768   7.499   7.644
  377    HE1  TRP  56           HE1      TRP  56   4.521   9.310   7.334
  378    HE3  TRP  56           HE3      TRP  56   0.388  10.198   4.016
  379    HZ2  TRP  56           HZ2      TRP  56   4.844  11.636   5.782
  380    HZ3  TRP  56           HZ3      TRP  56   1.523  12.214   3.164
  381    HH2  TRP  56           HH2      TRP  56   3.681  12.912   4.023
  382    H    VAL  57           H        VAL  57  -1.199   5.807   8.500
  383    HA   VAL  57           HA       VAL  57  -3.067   4.873   6.651
  384    HB   VAL  57           HB       VAL  57  -3.233   4.605   9.648
  385   1HG1  VAL  57          1HG1      VAL  57  -5.216   4.023   8.226
  386   2HG1  VAL  57          2HG1      VAL  57  -4.218   2.772   7.488
  387   3HG1  VAL  57          3HG1      VAL  57  -4.579   2.707   9.215
  388   1HG2  VAL  57          1HG2      VAL  57  -1.115   4.000   8.152
  389   2HG2  VAL  57          2HG2      VAL  57  -1.589   3.069   9.577
  390   3HG2  VAL  57          3HG2      VAL  57  -2.040   2.510   7.964
  391    H    GLU  58           H        GLU  58  -3.263   7.137   9.304
  392    HA   GLU  58           HA       GLU  58  -6.079   7.616   8.929
  393   1HB   GLU  58          1HB       GLU  58  -4.274   9.491  10.422
  394   2HB   GLU  58          2HB       GLU  58  -5.951   9.078  10.749
  395   1HG   GLU  58          1HG       GLU  58  -4.108   6.822  10.967
  396   2HG   GLU  58          2HG       GLU  58  -3.792   8.127  12.109
  397    H    ILE  59           H        ILE  59  -3.379   8.342   7.242
  398    HA   ILE  59           HA       ILE  59  -4.332  10.961   6.294
  399    HB   ILE  59           HB       ILE  59  -1.700   9.543   6.099
  400   1HG1  ILE  59          1HG1      ILE  59  -2.000  12.448   6.539
  401   2HG1  ILE  59          2HG1      ILE  59  -2.566  11.391   7.825
  402   1HG2  ILE  59          1HG2      ILE  59  -2.844  11.427   4.123
  403   2HG2  ILE  59          2HG2      ILE  59  -1.166  11.684   4.602
  404   3HG2  ILE  59          3HG2      ILE  59  -1.659  10.139   3.908
  405   1HD1  ILE  59          1HD1      ILE  59   0.069  10.717   6.780
  406   2HD1  ILE  59          2HD1      ILE  59  -0.034  12.304   7.542
  407   3HD1  ILE  59          3HD1      ILE  59  -0.500  10.861   8.442
  408    H    VAL  60           H        VAL  60  -3.491   7.709   5.334
  409    HA   VAL  60           HA       VAL  60  -4.338   8.189   2.594
  410    HB   VAL  60           HB       VAL  60  -3.270   5.625   3.763
  411   1HG1  VAL  60          1HG1      VAL  60  -4.452   5.975   1.388
  412   2HG1  VAL  60          2HG1      VAL  60  -2.803   6.426   0.960
  413   3HG1  VAL  60          3HG1      VAL  60  -3.130   4.837   1.647
  414   1HG2  VAL  60          1HG2      VAL  60  -1.899   8.137   3.374
  415   2HG2  VAL  60          2HG2      VAL  60  -1.286   6.612   4.019
  416   3HG2  VAL  60          3HG2      VAL  60  -1.253   6.909   2.284
  417    H    GLY  61           H        GLY  61  -4.864   5.304   4.610
  418   1HA   GLY  61          1HA       GLY  61  -6.739   3.856   4.325
  419   2HA   GLY  61          2HA       GLY  61  -7.306   5.110   5.414
  420    H    GLU  62           H        GLU  62  -6.783   4.934   1.894
  421    HA   GLU  62           HA       GLU  62  -9.135   6.471   1.383
  422   1HB   GLU  62          1HB       GLU  62  -7.294   4.975  -0.474
  423   2HB   GLU  62          2HB       GLU  62  -8.582   6.047  -1.005
  424   1HG   GLU  62          1HG       GLU  62  -6.211   6.852   0.666
  425   2HG   GLU  62          2HG       GLU  62  -6.397   7.135  -1.064
  426    H    ALA  63           H        ALA  63  -8.490   3.125   1.686
  427    HA   ALA  63           HA       ALA  63 -10.392   1.997   0.006
  428   1HB   ALA  63          1HB       ALA  63  -9.169   1.097   2.565
  429   2HB   ALA  63          2HB       ALA  63 -10.566   0.218   1.924
  430   3HB   ALA  63          3HB       ALA  63  -9.095   0.371   0.959
  431    H    ASN  64           H        ASN  64 -12.477   1.341   0.253
  432    HA   ASN  64           HA       ASN  64 -14.111   2.911   2.051
  433   1HB   ASN  64          1HB       ASN  64 -15.825   1.384   0.534
  434   2HB   ASN  64          2HB       ASN  64 -15.302   3.003   0.114
  435   1HD2  ASN  64          2HD2      ASN  64 -14.338   3.271  -1.774
  436   2HD2  ASN  64          1HD2      ASN  64 -13.716   2.006  -2.773
  437    HA   PRO  65           HA       PRO  65 -15.276  -0.444   4.650
  438   1HB   PRO  65          1HB       PRO  65 -18.090  -0.469   3.809
  439   2HB   PRO  65          2HB       PRO  65 -17.391   0.012   5.359
  440   1HG   PRO  65          1HG       PRO  65 -18.452   1.811   3.650
  441   2HG   PRO  65          2HG       PRO  65 -17.065   2.197   4.686
  442   1HD   PRO  65          1HD       PRO  65 -17.106   1.463   1.778
  443   2HD   PRO  65          2HD       PRO  65 -16.147   2.710   2.598
  444    H    ASP  66           H        ASP  66 -15.252  -0.860   1.401
  445    HA   ASP  66           HA       ASP  66 -16.444  -3.514   1.350
  446   1HB   ASP  66          1HB       ASP  66 -15.458  -1.588  -0.711
  447   2HB   ASP  66          2HB       ASP  66 -15.498  -3.302  -1.115
  448    H    GLU  67           H        GLU  67 -13.309  -1.968   0.683
  449    HA   GLU  67           HA       GLU  67 -11.801  -4.232   0.170
  450   1HB   GLU  67          1HB       GLU  67 -10.760  -2.135  -0.162
  451   2HB   GLU  67          2HB       GLU  67 -11.087  -1.618   1.487
  452   1HG   GLU  67          1HG       GLU  67  -8.696  -2.289   0.867
  453   2HG   GLU  67          2HG       GLU  67  -9.378  -2.913   2.368
  454    H    ASN  68           H        ASN  68 -12.875  -2.911   3.232
  455    HA   ASN  68           HA       ASN  68 -11.339  -4.801   4.793
  456   1HB   ASN  68          1HB       ASN  68 -11.705  -2.607   5.744
  457   2HB   ASN  68          2HB       ASN  68 -13.448  -2.771   5.557
  458   1HD2  ASN  68          2HD2      ASN  68 -11.530  -5.471   6.566
  459   2HD2  ASN  68          1HD2      ASN  68 -12.050  -5.487   8.214
  460    H    ASP  69           H        ASP  69 -14.523  -4.511   3.450
  461    HA   ASP  69           HA       ASP  69 -15.676  -6.604   5.063
  462   1HB   ASP  69          1HB       ASP  69 -16.985  -4.682   4.098
  463   2HB   ASP  69          2HB       ASP  69 -16.767  -5.409   2.509
  464    H    LEU  70           H        LEU  70 -14.680  -6.269   1.660
  465    HA   LEU  70           HA       LEU  70 -15.337  -8.778   0.735
  466   1HB   LEU  70          1HB       LEU  70 -14.223  -6.717  -0.439
  467   2HB   LEU  70          2HB       LEU  70 -12.730  -7.558  -0.070
  468    HG   LEU  70           HG       LEU  70 -14.677  -9.317  -1.318
  469   1HD1  LEU  70          1HD1      LEU  70 -13.851  -6.815  -2.772
  470   2HD1  LEU  70          2HD1      LEU  70 -14.437  -8.270  -3.577
  471   3HD1  LEU  70          3HD1      LEU  70 -15.487  -7.395  -2.464
  472   1HD2  LEU  70          1HD2      LEU  70 -12.238  -9.723  -1.023
  473   2HD2  LEU  70          2HD2      LEU  70 -12.800  -9.910  -2.684
  474   3HD2  LEU  70          3HD2      LEU  70 -11.930  -8.452  -2.206
  475    H    LEU  71           H        LEU  71 -12.536  -7.799   2.628
  476    HA   LEU  71           HA       LEU  71 -11.294 -10.394   2.472
  477   1HB   LEU  71          1HB       LEU  71 -10.681  -7.790   3.757
  478   2HB   LEU  71          2HB       LEU  71  -9.980  -9.222   4.490
  479    HG   LEU  71           HG       LEU  71  -8.408  -8.219   2.943
  480   1HD1  LEU  71          1HD1      LEU  71  -8.533 -10.698   3.184
  481   2HD1  LEU  71          2HD1      LEU  71  -9.518 -10.738   1.722
  482   3HD1  LEU  71          3HD1      LEU  71  -7.857 -10.150   1.651
  483   1HD2  LEU  71          1HD2      LEU  71 -10.737  -8.346   1.081
  484   2HD2  LEU  71          2HD2      LEU  71  -9.593  -7.034   1.366
  485   3HD2  LEU  71          3HD2      LEU  71  -9.099  -8.447   0.436
  486    H    GLN  72           H        GLN  72 -13.129  -8.555   4.870
  487    HA   GLN  72           HA       GLN  72 -12.915 -10.481   6.941
  488   1HB   GLN  72          1HB       GLN  72 -14.785  -8.172   6.447
  489   2HB   GLN  72          2HB       GLN  72 -14.963  -9.222   7.847
  490   1HG   GLN  72          1HG       GLN  72 -12.253  -8.188   7.443
  491   2HG   GLN  72          2HG       GLN  72 -13.472  -6.958   7.773
  492   1HE2  GLN  72          2HE2      GLN  72 -14.988  -7.590   9.623
  493   2HE2  GLN  72          1HE2      GLN  72 -14.224  -8.232  11.034
  494    H    SER  73           H        SER  73 -14.934 -10.198   4.153
  495    HA   SER  73           HA       SER  73 -17.000 -11.957   5.106
  496   1HB   SER  73          1HB       SER  73 -17.964 -11.747   2.924
  497   2HB   SER  73          2HB       SER  73 -17.328 -10.159   3.354
  498    HG   SER  73           HG       SER  73 -15.344 -11.110   2.180
  499    H    THR  74           H        THR  74 -13.905 -12.327   3.701
  500    HA   THR  74           HA       THR  74 -14.430 -14.986   2.659
  501    HB   THR  74           HB       THR  74 -12.166 -14.958   1.875
  502    HG1  THR  74           HG1      THR  74 -10.679 -13.933   2.915
  503   1HG2  THR  74          1HG2      THR  74 -13.946 -12.867   1.227
  504   2HG2  THR  74          2HG2      THR  74 -12.318 -12.189   1.287
  505   3HG2  THR  74          3HG2      THR  74 -12.661 -13.565   0.240
  506    H    GLY  75           H        GLY  75 -12.849 -13.467   5.409
  507   1HA   GLY  75          1HA       GLY  75 -12.947 -14.733   7.515
  508   2HA   GLY  75          2HA       GLY  75 -12.516 -16.159   6.584
  509    H    GLU  76           H        GLU  76 -10.813 -13.547   5.413
  510    HA   GLU  76           HA       GLU  76  -8.423 -14.393   6.886
  511   1HB   GLU  76          1HB       GLU  76  -8.948 -13.390   4.164
  512   2HB   GLU  76          2HB       GLU  76  -7.491 -12.758   4.919
  513   1HG   GLU  76          1HG       GLU  76  -7.006 -15.251   5.459
  514   2HG   GLU  76          2HG       GLU  76  -8.169 -15.565   4.172
  515    HA   PRO  77           HA       PRO  77  -8.710 -10.529   9.112
  516   1HB   PRO  77          1HB       PRO  77  -6.502 -10.876  10.633
  517   2HB   PRO  77          2HB       PRO  77  -8.014 -11.736  10.945
  518   1HG   PRO  77          1HG       PRO  77  -5.548 -12.689   9.543
  519   2HG   PRO  77          2HG       PRO  77  -6.562 -13.539  10.722
  520   1HD   PRO  77          1HD       PRO  77  -6.736 -13.957   8.040
  521   2HD   PRO  77          2HD       PRO  77  -8.119 -14.136   9.139
  522    H    MET  78           H        MET  78  -7.015  -8.782   9.724
  523    HA   MET  78           HA       MET  78  -4.996  -8.471   7.619
  524   1HB   MET  78          1HB       MET  78  -6.567  -6.057   8.360
  525   2HB   MET  78          2HB       MET  78  -5.791  -6.468   6.837
  526   1HG   MET  78          1HG       MET  78  -7.561  -7.923   6.229
  527   2HG   MET  78          2HG       MET  78  -8.268  -7.838   7.841
  528   1HE   MET  78          1HE       MET  78  -8.571  -5.093   8.795
  529   2HE   MET  78          2HE       MET  78  -9.997  -4.446   7.985
  530   3HE   MET  78          3HE       MET  78  -9.997  -6.107   8.578
  531    H    THR  79           H        THR  79  -4.369  -5.784   8.341
  532    HA   THR  79           HA       THR  79  -3.492  -6.033  11.132
  533    HB   THR  79           HB       THR  79  -1.280  -4.997  10.336
  534    HG1  THR  79           HG1      THR  79  -2.008  -6.186   7.881
  535   1HG2  THR  79          1HG2      THR  79  -2.120  -7.755  10.314
  536   2HG2  THR  79          2HG2      THR  79  -0.817  -7.460   9.163
  537   3HG2  THR  79          3HG2      THR  79  -0.606  -7.038  10.863
  538    H    ALA  80           H        ALA  80  -2.154  -3.765  11.524
  539    HA   ALA  80           HA       ALA  80  -4.224  -1.758  11.235
  540   1HB   ALA  80          1HB       ALA  80  -1.785  -2.061  12.892
  541   2HB   ALA  80          2HB       ALA  80  -2.347  -0.424  12.550
  542   3HB   ALA  80          3HB       ALA  80  -3.417  -1.575  13.352
  543    H    GLY  81           H        GLY  81  -4.309  -0.519   9.498
  544   1HA   GLY  81          1HA       GLY  81  -3.452   1.242   8.182
  545   2HA   GLY  81          2HA       GLY  81  -1.828   0.670   8.495
  546    H    THR  82           H        THR  82  -3.894  -1.859   7.727
  547    HA   THR  82           HA       THR  82  -2.560  -2.398   5.271
  548    HB   THR  82           HB       THR  82  -5.091  -3.817   5.755
  549    HG1  THR  82           HG1      THR  82  -4.743  -3.788   7.849
  550   1HG2  THR  82          1HG2      THR  82  -3.086  -4.499   4.273
  551   2HG2  THR  82          2HG2      THR  82  -2.376  -5.049   5.790
  552   3HG2  THR  82          3HG2      THR  82  -3.910  -5.723   5.239
  553    H    ARG  83           H        ARG  83  -3.267  -2.210   3.169
  554    HA   ARG  83           HA       ARG  83  -5.923  -1.541   2.445
  555   1HB   ARG  83          1HB       ARG  83  -4.694   0.630   3.461
  556   2HB   ARG  83          2HB       ARG  83  -4.168   0.756   1.788
  557   1HG   ARG  83          1HG       ARG  83  -6.994   0.712   2.818
  558   2HG   ARG  83          2HG       ARG  83  -6.147   2.054   2.047
  559   1HD   ARG  83          1HD       ARG  83  -5.887   0.225   0.118
  560   2HD   ARG  83          2HD       ARG  83  -7.376  -0.364   0.854
  561    HE   ARG  83           HE       ARG  83  -7.407   2.456   0.315
  562   1HH1  ARG  83          1HH1      ARG  83  -7.970  -0.713  -1.010
  563   2HH1  ARG  83          2HH1      ARG  83  -9.056  -0.150  -2.236
  564   1HH2  ARG  83          1HH2      ARG  83  -8.830   3.210  -1.303
  565   2HH2  ARG  83          2HH2      ARG  83  -9.543   2.079  -2.404
  566    H    LEU  84           H        LEU  84  -6.251  -1.946   0.326
  567    HA   LEU  84           HA       LEU  84  -4.382  -3.299  -1.195
  568   1HB   LEU  84          1HB       LEU  84  -6.684  -1.666  -2.267
  569   2HB   LEU  84          2HB       LEU  84  -5.882  -2.998  -3.079
  570    HG   LEU  84           HG       LEU  84  -7.731  -3.098  -0.714
  571   1HD1  LEU  84          1HD1      LEU  84  -7.751  -4.001  -3.532
  572   2HD1  LEU  84          2HD1      LEU  84  -8.520  -5.048  -2.341
  573   3HD1  LEU  84          3HD1      LEU  84  -9.060  -3.380  -2.528
  574   1HD2  LEU  84          1HD2      LEU  84  -5.731  -5.151  -1.615
  575   2HD2  LEU  84          2HD2      LEU  84  -5.985  -4.503   0.004
  576   3HD2  LEU  84          3HD2      LEU  84  -7.185  -5.579  -0.712
  577    H    SER  85           H        SER  85  -2.618  -2.686  -2.252
  578    HA   SER  85           HA       SER  85  -1.907   0.078  -2.446
  579   1HB   SER  85          1HB       SER  85   0.151  -0.798  -3.563
  580   2HB   SER  85          2HB       SER  85  -0.171  -1.531  -1.994
  581    HG   SER  85           HG       SER  85  -1.122  -2.737  -4.351
  582    H    CYS  86           H        CYS  86  -3.870  -1.805  -4.337
  583    HA   CYS  86           HA       CYS  86  -3.158  -0.341  -6.787
  584   1HB   CYS  86          1HB       CYS  86  -4.239  -2.049  -8.057
  585   2HB   CYS  86          2HB       CYS  86  -3.209  -2.861  -6.882
  586    H    GLN  87           H        GLN  87  -4.974   0.242  -4.287
  587    HA   GLN  87           HA       GLN  87  -7.158   1.361  -5.902
  588   1HB   GLN  87          1HB       GLN  87  -7.342  -0.297  -3.428
  589   2HB   GLN  87          2HB       GLN  87  -8.534   0.969  -3.690
  590   1HG   GLN  87          1HG       GLN  87  -7.927  -1.219  -5.661
  591   2HG   GLN  87          2HG       GLN  87  -9.237  -1.272  -4.481
  592   1HE2  GLN  87          2HE2      GLN  87  -9.129  -1.191  -7.486
  593   2HE2  GLN  87          1HE2      GLN  87 -10.201   0.093  -7.920
  594    H    VAL  88           H        VAL  88  -4.698   1.930  -3.627
  595    HA   VAL  88           HA       VAL  88  -6.002   4.332  -2.590
  596    HB   VAL  88           HB       VAL  88  -3.534   2.804  -1.803
  597   1HG1  VAL  88          1HG1      VAL  88  -2.991   5.200  -1.811
  598   2HG1  VAL  88          2HG1      VAL  88  -4.344   5.491  -0.718
  599   3HG1  VAL  88          3HG1      VAL  88  -2.981   4.505  -0.188
  600   1HG2  VAL  88          1HG2      VAL  88  -6.075   3.560  -0.382
  601   2HG2  VAL  88          2HG2      VAL  88  -5.532   1.948  -0.850
  602   3HG2  VAL  88          3HG2      VAL  88  -4.683   2.831   0.418
  603    H    PHE  89           H        PHE  89  -5.766   6.075  -3.908
  604    HA   PHE  89           HA       PHE  89  -3.194   6.354  -5.293
  605   1HB   PHE  89          1HB       PHE  89  -5.784   7.689  -6.018
  606   2HB   PHE  89          2HB       PHE  89  -4.317   7.624  -6.985
  607    HD1  PHE  89           HD1      PHE  89  -3.922   4.659  -5.940
  608    HD2  PHE  89           HD2      PHE  89  -6.990   6.748  -8.011
  609    HE1  PHE  89           HE1      PHE  89  -4.680   2.528  -6.939
  610    HE2  PHE  89           HE2      PHE  89  -7.764   4.633  -9.024
  611    HZ   PHE  89           HZ       PHE  89  -6.605   2.518  -8.490
  612    H    ILE  90           H        ILE  90  -1.949   8.005  -5.056
  613    HA   ILE  90           HA       ILE  90  -1.855   9.640  -2.898
  614    HB   ILE  90           HB       ILE  90  -0.781  10.015  -5.687
  615   1HG1  ILE  90          1HG1      ILE  90  -0.184   8.109  -3.890
  616   2HG1  ILE  90          2HG1      ILE  90   0.991   8.761  -5.029
  617   1HG2  ILE  90          1HG2      ILE  90  -0.258  11.615  -3.214
  618   2HG2  ILE  90          2HG2      ILE  90   0.940  11.444  -4.494
  619   3HG2  ILE  90          3HG2      ILE  90  -0.619  12.187  -4.840
  620   1HD1  ILE  90          1HD1      ILE  90   1.699  10.388  -3.281
  621   2HD1  ILE  90          2HD1      ILE  90   0.608   9.559  -2.160
  622   3HD1  ILE  90          3HD1      ILE  90   1.975   8.690  -2.854
  623    H    ASP  91           H        ASP  91  -1.998  11.993  -2.759
  624    HA   ASP  91           HA       ASP  91  -3.464  13.645  -4.450
  625   1HB   ASP  91          1HB       ASP  91  -5.638  13.439  -3.741
  626   2HB   ASP  91          2HB       ASP  91  -5.128  11.855  -3.180
  627    HA   PRO  92           HA       PRO  92  -1.592  16.494  -1.592
  628   1HB   PRO  92          1HB       PRO  92  -4.067  18.091  -1.327
  629   2HB   PRO  92          2HB       PRO  92  -2.502  18.556  -2.003
  630   1HG   PRO  92          1HG       PRO  92  -4.620  18.166  -3.591
  631   2HG   PRO  92          2HG       PRO  92  -2.991  17.670  -4.095
  632   1HD   PRO  92          1HD       PRO  92  -5.213  15.994  -2.966
  633   2HD   PRO  92          2HD       PRO  92  -4.137  15.645  -4.339
  634    H    SER  93           H        SER  93  -2.624  14.247  -0.430
  635    HA   SER  93           HA       SER  93  -3.265  15.130   2.272
  636   1HB   SER  93          1HB       SER  93  -5.222  13.968   2.386
  637   2HB   SER  93          2HB       SER  93  -5.187  14.064   0.617
  638    HG   SER  93           HG       SER  93  -5.051  11.904   2.171
  639    H    MET  94           H        MET  94  -2.158  12.657   0.043
  640    HA   MET  94           HA       MET  94  -0.703  11.272   2.177
  641   1HB   MET  94          1HB       MET  94  -1.678  10.338  -0.529
  642   2HB   MET  94          2HB       MET  94  -0.656   9.379   0.525
  643   1HG   MET  94          1HG       MET  94  -2.451   8.609   1.552
  644   2HG   MET  94          2HG       MET  94  -2.869  10.246   2.051
  645   1HE   MET  94          1HE       MET  94  -2.866   7.622  -0.458
  646   2HE   MET  94          2HE       MET  94  -4.600   7.305  -0.402
  647   3HE   MET  94          3HE       MET  94  -3.904   8.162  -1.777
  648    H    ASP  95           H        ASP  95   0.338  13.629   1.176
  649    HA   ASP  95           HA       ASP  95   2.233  12.956  -0.839
  650   1HB   ASP  95          1HB       ASP  95   2.298  15.596   0.518
  651   2HB   ASP  95          2HB       ASP  95   2.454  15.231  -1.185
  652    H    GLY  96           H        GLY  96   4.241  12.301  -0.396
  653   1HA   GLY  96          1HA       GLY  96   6.212  12.015   0.833
  654   2HA   GLY  96          2HA       GLY  96   5.560  13.105   2.055
  655    H    LEU  97           H        LEU  97   3.659  10.527   0.794
  656    HA   LEU  97           HA       LEU  97   3.169   9.472   3.362
  657   1HB   LEU  97          1HB       LEU  97   1.435   8.393   2.431
  658   2HB   LEU  97          2HB       LEU  97   1.733   9.531   1.133
  659    HG   LEU  97           HG       LEU  97   3.357   7.341   0.528
  660   1HD1  LEU  97          1HD1      LEU  97   0.682   6.472   1.595
  661   2HD1  LEU  97          2HD1      LEU  97   1.655   5.501   0.490
  662   3HD1  LEU  97          3HD1      LEU  97   2.279   5.911   2.088
  663   1HD2  LEU  97          1HD2      LEU  97   1.779   8.943  -0.823
  664   2HD2  LEU  97          2HD2      LEU  97   2.172   7.338  -1.436
  665   3HD2  LEU  97          3HD2      LEU  97   0.629   7.620  -0.632
  666    H    ILE  98           H        ILE  98   3.475   7.412   4.132
  667    HA   ILE  98           HA       ILE  98   5.900   6.165   3.100
  668    HB   ILE  98           HB       ILE  98   4.866   6.149   5.874
  669   1HG1  ILE  98          1HG1      ILE  98   6.864   7.492   6.383
  670   2HG1  ILE  98          2HG1      ILE  98   7.259   7.504   4.663
  671   1HG2  ILE  98          1HG2      ILE  98   6.009   4.054   5.282
  672   2HG2  ILE  98          2HG2      ILE  98   7.439   4.998   4.865
  673   3HG2  ILE  98          3HG2      ILE  98   6.850   4.979   6.527
  674   1HD1  ILE  98          1HD1      ILE  98   4.550   8.337   5.258
  675   2HD1  ILE  98          2HD1      ILE  98   5.785   9.390   5.949
  676   3HD1  ILE  98          3HD1      ILE  98   5.759   9.080   4.212
  677    H    VAL  99           H        VAL  99   5.956   4.006   2.636
  678    HA   VAL  99           HA       VAL  99   3.519   2.530   3.270
  679    HB   VAL  99           HB       VAL  99   4.937   1.653   0.895
  680   1HG1  VAL  99          1HG1      VAL  99   2.287   1.716   2.125
  681   2HG1  VAL  99          2HG1      VAL  99   2.303   1.809   0.359
  682   3HG1  VAL  99          3HG1      VAL  99   3.078   0.451   1.170
  683   1HG2  VAL  99          1HG2      VAL  99   3.333   4.210   0.928
  684   2HG2  VAL  99          2HG2      VAL  99   5.042   4.054   0.523
  685   3HG2  VAL  99          3HG2      VAL  99   3.819   3.340  -0.528
  686    H    ARG 100           H        ARG 100   3.687   0.229   3.494
  687    HA   ARG 100           HA       ARG 100   6.406  -0.788   3.842
  688   1HB   ARG 100          1HB       ARG 100   4.256  -1.075   5.943
  689   2HB   ARG 100          2HB       ARG 100   5.883  -1.737   6.023
  690   1HG   ARG 100          1HG       ARG 100   6.770   0.570   5.983
  691   2HG   ARG 100          2HG       ARG 100   5.114   1.172   6.045
  692   1HD   ARG 100          1HD       ARG 100   4.796   0.470   8.213
  693   2HD   ARG 100          2HD       ARG 100   6.018  -0.795   8.094
  694    HE   ARG 100           HE       ARG 100   7.163   1.807   7.898
  695   1HH1  ARG 100          1HH1      ARG 100   5.912  -0.536  10.150
  696   2HH1  ARG 100          2HH1      ARG 100   6.862   0.042  11.479
  697   1HH2  ARG 100          1HH2      ARG 100   8.419   2.576   9.639
  698   2HH2  ARG 100          2HH2      ARG 100   8.286   1.811  11.188
  699    H    VAL 101           H        VAL 101   6.485  -3.136   4.142
  700    HA   VAL 101           HA       VAL 101   4.249  -4.488   2.778
  701    HB   VAL 101           HB       VAL 101   7.201  -5.092   2.558
  702   1HG1  VAL 101          1HG1      VAL 101   5.678  -7.090   2.572
  703   2HG1  VAL 101          2HG1      VAL 101   4.938  -6.446   1.107
  704   3HG1  VAL 101          3HG1      VAL 101   6.644  -6.893   1.109
  705   1HG2  VAL 101          1HG2      VAL 101   6.162  -3.097   1.303
  706   2HG2  VAL 101          2HG2      VAL 101   7.139  -4.248   0.391
  707   3HG2  VAL 101          3HG2      VAL 101   5.378  -4.323   0.307
  708    HA   PRO 102           HA       PRO 102   3.799  -7.070   6.333
  709   1HB   PRO 102          1HB       PRO 102   3.171  -9.415   4.985
  710   2HB   PRO 102          2HB       PRO 102   2.018  -8.157   5.437
  711   1HG   PRO 102          1HG       PRO 102   3.379  -8.633   2.824
  712   2HG   PRO 102          2HG       PRO 102   1.713  -8.124   3.144
  713   1HD   PRO 102          1HD       PRO 102   3.554  -6.364   2.341
  714   2HD   PRO 102          2HD       PRO 102   2.336  -5.917   3.556
  715    H    LEU 103           H        LEU 103   4.334  -9.586   6.732
  716    HA   LEU 103           HA       LEU 103   7.212  -9.852   6.158
  717   1HB   LEU 103          1HB       LEU 103   5.735 -11.108   8.463
  718   2HB   LEU 103          2HB       LEU 103   7.471 -10.983   8.245
  719    HG   LEU 103           HG       LEU 103   6.792  -8.359   8.251
  720   1HD1  LEU 103          1HD1      LEU 103   4.752  -9.835   9.880
  721   2HD1  LEU 103          2HD1      LEU 103   5.252  -8.195  10.295
  722   3HD1  LEU 103          3HD1      LEU 103   4.512  -8.520   8.728
  723   1HD2  LEU 103          1HD2      LEU 103   8.360  -9.959   9.716
  724   2HD2  LEU 103          2HD2      LEU 103   8.028  -8.280  10.144
  725   3HD2  LEU 103          3HD2      LEU 103   7.127  -9.583  10.920
  726    HA   PRO 104           HA       PRO 104   6.489 -13.764   4.261
  727   1HB   PRO 104          1HB       PRO 104   8.874 -14.967   5.366
  728   2HB   PRO 104          2HB       PRO 104   8.619 -14.314   3.747
  729   1HG   PRO 104          1HG       PRO 104  10.291 -13.186   5.601
  730   2HG   PRO 104          2HG       PRO 104   9.516 -12.285   4.285
  731   1HD   PRO 104          1HD       PRO 104   8.734 -12.478   7.170
  732   2HD   PRO 104          2HD       PRO 104   8.719 -11.066   6.088
  733    H    ALA 105           H        ALA 105   6.325 -16.137   4.637
  734    HA   ALA 105           HA       ALA 105   5.012 -16.629   7.165
  735   1HB   ALA 105          1HB       ALA 105   4.132 -17.413   4.946
  736   2HB   ALA 105          2HB       ALA 105   5.440 -18.595   4.926
  737   3HB   ALA 105          3HB       ALA 105   4.221 -18.650   6.200
  Start of MODEL    5
    1   2H    PRO   1          2H        PRO   1   3.679  15.013  -5.220
    2   1H    PRO   1          1H        PRO   1   4.439  13.565  -5.422
    3    HA   PRO   1           HA       PRO   1   4.262  15.111  -3.237
    4   1HB   PRO   1          1HB       PRO   1   3.312  12.416  -2.467
    5   2HB   PRO   1          2HB       PRO   1   2.968  13.972  -1.749
    6   1HG   PRO   1          1HG       PRO   1   1.133  12.859  -3.158
    7   2HG   PRO   1          2HG       PRO   1   1.479  14.578  -3.412
    8   1HD   PRO   1          1HD       PRO   1   2.508  12.225  -4.998
    9   2HD   PRO   1          2HD       PRO   1   1.663  13.654  -5.600
   10    H    ARG   2           H        ARG   2   5.123  13.532  -1.350
   11    HA   ARG   2           HA       ARG   2   7.544  12.224  -2.455
   12   1HB   ARG   2          1HB       ARG   2   7.207  14.195  -0.408
   13   2HB   ARG   2          2HB       ARG   2   7.797  12.717   0.340
   14   1HG   ARG   2          1HG       ARG   2   9.486  12.755  -1.639
   15   2HG   ARG   2          2HG       ARG   2   9.094  14.472  -1.652
   16   1HD   ARG   2          1HD       ARG   2   9.502  13.663   1.041
   17   2HD   ARG   2          2HD       ARG   2  10.856  13.074   0.080
   18    HE   ARG   2           HE       ARG   2  10.638  15.638  -0.717
   19   1HH1  ARG   2          1HH1      ARG   2  10.821  14.143   2.426
   20   2HH1  ARG   2          2HH1      ARG   2  11.588  15.505   3.171
   21   1HH2  ARG   2          1HH2      ARG   2  11.653  17.434   0.254
   22   2HH2  ARG   2          2HH2      ARG   2  12.060  17.376   1.937
   23    H    VAL   3           H        VAL   3   8.278  10.197  -1.203
   24    HA   VAL   3           HA       VAL   3   6.259   9.152   0.560
   25    HB   VAL   3           HB       VAL   3   6.330   8.502  -2.284
   26   1HG1  VAL   3          1HG1      VAL   3   7.273   6.435  -1.073
   27   2HG1  VAL   3          2HG1      VAL   3   5.618   6.244  -0.507
   28   3HG1  VAL   3          3HG1      VAL   3   5.962   6.288  -2.248
   29   1HG2  VAL   3          1HG2      VAL   3   4.500   8.943  -0.145
   30   2HG2  VAL   3          2HG2      VAL   3   4.253   9.044  -1.892
   31   3HG2  VAL   3          3HG2      VAL   3   4.093   7.494  -1.064
   32    H    VAL   4           H        VAL   4   6.737   6.834   1.120
   33    HA   VAL   4           HA       VAL   4   9.459   6.034   0.750
   34    HB   VAL   4           HB       VAL   4   8.642   7.157   3.398
   35   1HG1  VAL   4          1HG1      VAL   4  10.168   4.702   2.919
   36   2HG1  VAL   4          2HG1      VAL   4  11.031   5.897   3.895
   37   3HG1  VAL   4          3HG1      VAL   4   9.448   5.314   4.414
   38   1HG2  VAL   4          1HG2      VAL   4  10.863   7.442   1.436
   39   2HG2  VAL   4          2HG2      VAL   4   9.923   8.690   2.257
   40   3HG2  VAL   4          3HG2      VAL   4  11.171   7.806   3.137
   41    H    PHE   5           H        PHE   5   9.162   4.093   0.235
   42    HA   PHE   5           HA       PHE   5   7.104   2.413   1.456
   43   1HB   PHE   5          1HB       PHE   5   9.125   2.018  -0.731
   44   2HB   PHE   5          2HB       PHE   5   8.111   0.721  -0.139
   45    HD1  PHE   5           HD1      PHE   5   6.737   4.163  -0.574
   46    HD2  PHE   5           HD2      PHE   5   7.222   0.289  -2.237
   47    HE1  PHE   5           HE1      PHE   5   5.113   4.698  -2.325
   48    HE2  PHE   5           HE2      PHE   5   5.616   0.788  -3.947
   49    HZ   PHE   5           HZ       PHE   5   4.517   2.993  -4.012
   50    H    ILE   6           H        ILE   6   7.902   0.130   1.948
   51    HA   ILE   6           HA       ILE   6  10.596  -0.152   2.873
   52    HB   ILE   6           HB       ILE   6   8.235  -0.140   4.703
   53   1HG1  ILE   6          1HG1      ILE   6  10.297   1.290   5.800
   54   2HG1  ILE   6          2HG1      ILE   6  10.455   1.646   4.102
   55   1HG2  ILE   6          1HG2      ILE   6  11.016  -1.142   5.194
   56   2HG2  ILE   6          2HG2      ILE   6   9.808  -0.876   6.451
   57   3HG2  ILE   6          3HG2      ILE   6   9.526  -2.081   5.195
   58   1HD1  ILE   6          1HD1      ILE   6   7.758   1.873   5.262
   59   2HD1  ILE   6          2HD1      ILE   6   8.949   3.075   5.754
   60   3HD1  ILE   6          3HD1      ILE   6   8.566   2.861   4.046
   61    H    ASP   7           H        ASP   7  10.996  -2.379   3.641
   62    HA   ASP   7           HA       ASP   7   9.037  -4.387   3.387
   63   1HB   ASP   7          1HB       ASP   7   9.439  -3.564   1.001
   64   2HB   ASP   7          2HB       ASP   7  10.992  -4.388   1.108
   65    H    GLU   8           H        GLU   8  10.259  -6.619   3.025
   66    HA   GLU   8           HA       GLU   8  12.303  -6.688   5.067
   67   1HB   GLU   8          1HB       GLU   8  10.619  -8.323   5.349
   68   2HB   GLU   8          2HB       GLU   8  10.675  -8.789   3.654
   69   1HG   GLU   8          1HG       GLU   8  12.439 -10.155   3.942
   70   2HG   GLU   8          2HG       GLU   8  13.165  -9.125   5.173
   71    H    GLN   9           H        GLN   9  12.292  -6.291   1.795
   72    HA   GLN   9           HA       GLN   9  14.618  -7.945   1.237
   73   1HB   GLN   9          1HB       GLN   9  12.817  -6.209  -0.422
   74   2HB   GLN   9          2HB       GLN   9  14.377  -6.721  -1.051
   75   1HG   GLN   9          1HG       GLN   9  12.326  -8.651  -0.009
   76   2HG   GLN   9          2HG       GLN   9  12.392  -8.131  -1.692
   77   1HE2  GLN   9          2HE2      GLN   9  13.824  -9.054  -3.035
   78   2HE2  GLN   9          1HE2      GLN   9  14.978 -10.252  -2.570
   79    H    SER  10           H        SER  10  13.775  -4.600   1.810
   80    HA   SER  10           HA       SER  10  16.630  -3.959   1.928
   81   1HB   SER  10          1HB       SER  10  15.391  -3.230  -0.274
   82   2HB   SER  10          2HB       SER  10  14.772  -1.933   0.745
   83    HG   SER  10           HG       SER  10  17.438  -2.277   1.083
   84    H    GLY  11           H        GLY  11  13.811  -4.082   3.570
   85   1HA   GLY  11          1HA       GLY  11  13.019  -3.056   5.477
   86   2HA   GLY  11          2HA       GLY  11  14.698  -2.650   5.773
   87    H    GLU  12           H        GLU  12  13.368  -1.465   2.887
   88    HA   GLU  12           HA       GLU  12  12.016   0.820   3.529
   89   1HB   GLU  12          1HB       GLU  12  13.695   1.749   4.855
   90   2HB   GLU  12          2HB       GLU  12  14.983   1.179   3.800
   91   1HG   GLU  12          1HG       GLU  12  14.351   2.790   2.106
   92   2HG   GLU  12          2HG       GLU  12  12.993   3.324   3.092
   93    H    TYR  13           H        TYR  13  11.486   1.963   1.773
   94    HA   TYR  13           HA       TYR  13  13.017   1.642  -0.675
   95   1HB   TYR  13          1HB       TYR  13  10.214   0.677  -0.235
   96   2HB   TYR  13          2HB       TYR  13  10.805   1.073  -1.847
   97    HD1  TYR  13           HD1      TYR  13  11.648  -0.980   1.142
   98    HD2  TYR  13           HD2      TYR  13  11.897  -0.583  -3.071
   99    HE1  TYR  13           HE1      TYR  13  12.692  -3.209   1.004
  100    HE2  TYR  13           HE2      TYR  13  12.926  -2.783  -3.249
  101    HH   TYR  13           HH       TYR  13  13.935  -4.451  -2.060
  102    H    ALA  14           H        ALA  14  13.087   3.877   0.589
  103    HA   ALA  14           HA       ALA  14  11.179   5.823   0.544
  104   1HB   ALA  14          1HB       ALA  14  14.132   5.927   0.117
  105   2HB   ALA  14          2HB       ALA  14  13.166   7.397   0.000
  106   3HB   ALA  14          3HB       ALA  14  13.176   6.467   1.498
  107    H    VAL  15           H        VAL  15  10.338   7.289  -0.845
  108    HA   VAL  15           HA       VAL  15  11.199   7.612  -3.529
  109    HB   VAL  15           HB       VAL  15  10.129   5.329  -3.464
  110   1HG1  VAL  15          1HG1      VAL  15   7.637   6.977  -3.131
  111   2HG1  VAL  15          2HG1      VAL  15   7.644   5.336  -3.816
  112   3HG1  VAL  15          3HG1      VAL  15   8.205   5.603  -2.171
  113   1HG2  VAL  15          1HG2      VAL  15  10.008   7.411  -5.417
  114   2HG2  VAL  15          2HG2      VAL  15  10.217   5.684  -5.654
  115   3HG2  VAL  15          3HG2      VAL  15   8.591   6.363  -5.557
  116    H    ASP  16           H        ASP  16   8.703   8.134  -4.601
  117    HA   ASP  16           HA       ASP  16   7.343  10.084  -3.045
  118   1HB   ASP  16          1HB       ASP  16   8.382  10.982  -5.658
  119   2HB   ASP  16          2HB       ASP  16   7.918  11.945  -4.263
  120    H    ALA  17           H        ALA  17   5.551  10.915  -4.332
  121    HA   ALA  17           HA       ALA  17   4.882   9.207  -6.607
  122   1HB   ALA  17          1HB       ALA  17   4.070   8.654  -4.126
  123   2HB   ALA  17          2HB       ALA  17   2.756   9.735  -4.679
  124   3HB   ALA  17          3HB       ALA  17   3.140   8.259  -5.588
  125    H    GLN  18           H        GLN  18   2.418   9.984  -7.141
  126    HA   GLN  18           HA       GLN  18   2.277  12.892  -7.177
  127   1HB   GLN  18          1HB       GLN  18   2.105  11.348  -9.761
  128   2HB   GLN  18          2HB       GLN  18   2.149  13.093  -9.551
  129   1HG   GLN  18          1HG       GLN  18   4.460  12.852  -8.647
  130   2HG   GLN  18          2HG       GLN  18   4.394  11.146  -9.088
  131   1HE2  GLN  18          2HE2      GLN  18   6.251  11.652 -10.406
  132   2HE2  GLN  18          1HE2      GLN  18   6.023  12.328 -11.978
  133    H    ASP  19           H        ASP  19   0.232  13.517  -6.817
  134    HA   ASP  19           HA       ASP  19  -1.854  11.968  -6.169
  135   1HB   ASP  19          1HB       ASP  19  -2.323  14.422  -7.832
  136   2HB   ASP  19          2HB       ASP  19  -3.333  13.780  -6.551
  137    H    GLY  20           H        GLY  20  -2.601  10.254  -7.080
  138   1HA   GLY  20          1HA       GLY  20  -4.198   9.538  -8.846
  139   2HA   GLY  20          2HA       GLY  20  -3.088  10.288  -9.989
  140    H    GLN  21           H        GLN  21  -1.167   9.013  -7.646
  141    HA   GLN  21           HA       GLN  21  -0.887   6.468  -9.112
  142   1HB   GLN  21          1HB       GLN  21   1.196   8.149  -7.718
  143   2HB   GLN  21          2HB       GLN  21   1.497   6.538  -8.355
  144   1HG   GLN  21          1HG       GLN  21   1.366   7.236 -10.549
  145   2HG   GLN  21          2HG       GLN  21   0.409   8.656 -10.141
  146   1HE2  GLN  21          2HE2      GLN  21   3.013   8.159  -8.047
  147   2HE2  GLN  21          1HE2      GLN  21   4.085   9.323  -8.720
  148    H    SER  22           H        SER  22  -0.384   4.600  -7.899
  149    HA   SER  22           HA       SER  22  -1.321   4.764  -5.130
  150   1HB   SER  22          1HB       SER  22  -1.965   2.497  -5.318
  151   2HB   SER  22          2HB       SER  22  -2.323   3.162  -6.909
  152    HG   SER  22           HG       SER  22  -1.198   1.374  -7.365
  153    H    LEU  23           H        LEU  23  -0.251   3.135  -3.594
  154    HA   LEU  23           HA       LEU  23   2.596   3.640  -3.606
  155   1HB   LEU  23          1HB       LEU  23   0.781   2.152  -1.717
  156   2HB   LEU  23          2HB       LEU  23   2.523   2.208  -1.503
  157    HG   LEU  23           HG       LEU  23   2.528   4.458  -0.957
  158   1HD1  LEU  23          1HD1      LEU  23  -0.141   4.645  -2.336
  159   2HD1  LEU  23          2HD1      LEU  23   0.561   5.951  -1.379
  160   3HD1  LEU  23          3HD1      LEU  23   1.386   5.377  -2.829
  161   1HD2  LEU  23          1HD2      LEU  23   0.509   2.825   0.252
  162   2HD2  LEU  23          2HD2      LEU  23   1.549   4.046   0.987
  163   3HD2  LEU  23          3HD2      LEU  23   0.008   4.517   0.270
  164    H    MET  24           H        MET  24   0.814   1.529  -5.286
  165    HA   MET  24           HA       MET  24   2.614  -0.752  -5.002
  166   1HB   MET  24          1HB       MET  24   0.322  -1.405  -5.155
  167   2HB   MET  24          2HB       MET  24   0.034  -0.327  -6.513
  168   1HG   MET  24          1HG       MET  24   1.976  -1.919  -7.524
  169   2HG   MET  24          2HG       MET  24   1.140  -3.041  -6.452
  170   1HE   MET  24          1HE       MET  24   1.319  -0.879  -9.290
  171   2HE   MET  24          2HE       MET  24   0.418  -1.821 -10.477
  172   3HE   MET  24          3HE       MET  24  -0.342  -0.440  -9.687
  173    H    GLU  25           H        GLU  25   1.619   1.779  -7.188
  174    HA   GLU  25           HA       GLU  25   3.326   0.907  -9.333
  175   1HB   GLU  25          1HB       GLU  25   1.170   2.150  -9.695
  176   2HB   GLU  25          2HB       GLU  25   1.947   3.575  -9.022
  177   1HG   GLU  25          1HG       GLU  25   2.592   4.077 -11.077
  178   2HG   GLU  25          2HG       GLU  25   3.695   2.704 -10.989
  179    H    VAL  26           H        VAL  26   3.507   3.428  -6.814
  180    HA   VAL  26           HA       VAL  26   5.749   4.722  -7.781
  181    HB   VAL  26           HB       VAL  26   6.062   4.097  -4.928
  182   1HG1  VAL  26          1HG1      VAL  26   7.141   5.829  -6.444
  183   2HG1  VAL  26          2HG1      VAL  26   5.648   6.735  -6.250
  184   3HG1  VAL  26          3HG1      VAL  26   6.624   6.341  -4.843
  185   1HG2  VAL  26          1HG2      VAL  26   3.588   4.088  -5.156
  186   2HG2  VAL  26          2HG2      VAL  26   4.278   5.323  -4.099
  187   3HG2  VAL  26          3HG2      VAL  26   3.719   5.760  -5.715
  188    H    ALA  27           H        ALA  27   5.573   1.987  -5.625
  189    HA   ALA  27           HA       ALA  27   7.941   1.084  -5.131
  190   1HB   ALA  27          1HB       ALA  27   5.491  -0.180  -5.499
  191   2HB   ALA  27          2HB       ALA  27   6.639  -1.121  -6.453
  192   3HB   ALA  27          3HB       ALA  27   6.926  -0.860  -4.729
  193    H    THR  28           H        THR  28   6.570  -0.203  -8.110
  194    HA   THR  28           HA       THR  28   8.885  -1.140  -9.227
  195    HB   THR  28           HB       THR  28   7.658  -1.585 -11.067
  196    HG1  THR  28           HG1      THR  28   7.228  -0.004 -12.346
  197   1HG2  THR  28          1HG2      THR  28   6.001  -1.818  -9.156
  198   2HG2  THR  28          2HG2      THR  28   5.300  -0.310  -9.742
  199   3HG2  THR  28          3HG2      THR  28   5.350  -1.725 -10.793
  200    H    GLN  29           H        GLN  29   7.675   2.128  -9.141
  201    HA   GLN  29           HA       GLN  29   9.638   3.133 -10.994
  202   1HB   GLN  29          1HB       GLN  29   7.720   4.512  -9.121
  203   2HB   GLN  29          2HB       GLN  29   8.852   5.389 -10.138
  204   1HG   GLN  29          1HG       GLN  29   7.344   3.463 -11.669
  205   2HG   GLN  29          2HG       GLN  29   6.286   4.574 -10.800
  206   1HE2  GLN  29          2HE2      GLN  29   6.554   6.841 -11.156
  207   2HE2  GLN  29          1HE2      GLN  29   7.209   7.417 -12.648
  208    H    ASN  30           H        ASN  30   9.399   2.705  -7.562
  209    HA   ASN  30           HA       ASN  30  11.772   4.280  -7.006
  210   1HB   ASN  30          1HB       ASN  30  10.745   2.560  -4.865
  211   2HB   ASN  30          2HB       ASN  30  11.045   4.278  -4.853
  212   1HD2  ASN  30          2HD2      ASN  30   8.738   2.651  -3.902
  213   2HD2  ASN  30          1HD2      ASN  30   7.372   3.315  -4.662
  214    H    GLY  31           H        GLY  31  11.399   1.358  -8.345
  215   1HA   GLY  31          1HA       GLY  31  13.079  -0.246  -8.725
  216   2HA   GLY  31          2HA       GLY  31  13.975   0.405  -7.356
  217    H    VAL  32           H        VAL  32  11.146   0.291  -6.051
  218    HA   VAL  32           HA       VAL  32  11.479  -1.810  -4.321
  219    HB   VAL  32           HB       VAL  32   8.758  -0.932  -5.208
  220   1HG1  VAL  32          1HG1      VAL  32   9.917  -1.911  -2.680
  221   2HG1  VAL  32          2HG1      VAL  32   8.613  -0.733  -2.601
  222   3HG1  VAL  32          3HG1      VAL  32   8.358  -2.262  -3.431
  223   1HG2  VAL  32          1HG2      VAL  32  10.818   0.733  -3.842
  224   2HG2  VAL  32          2HG2      VAL  32   9.740   1.155  -5.176
  225   3HG2  VAL  32          3HG2      VAL  32   9.096   0.985  -3.541
  226    HA   PRO  33           HA       PRO  33  10.439  -5.532  -6.419
  227   1HB   PRO  33          1HB       PRO  33   8.818  -6.347  -4.075
  228   2HB   PRO  33          2HB       PRO  33  10.302  -7.066  -4.718
  229   1HG   PRO  33          1HG       PRO  33  10.392  -5.670  -2.435
  230   2HG   PRO  33          2HG       PRO  33  11.680  -5.488  -3.643
  231   1HD   PRO  33          1HD       PRO  33   9.260  -3.791  -3.197
  232   2HD   PRO  33          2HD       PRO  33  10.955  -3.297  -3.287
  233    H    GLY  34           H        GLY  34   8.112  -3.273  -5.661
  234   1HA   GLY  34          1HA       GLY  34   5.836  -3.081  -6.096
  235   2HA   GLY  34          2HA       GLY  34   6.445  -3.460  -7.698
  236    H    ILE  35           H        ILE  35   5.400  -5.048  -4.705
  237    HA   ILE  35           HA       ILE  35   5.003  -7.606  -5.374
  238    HB   ILE  35           HB       ILE  35   2.593  -6.235  -4.254
  239   1HG1  ILE  35          1HG1      ILE  35   5.286  -6.466  -2.907
  240   2HG1  ILE  35          2HG1      ILE  35   4.329  -5.009  -3.159
  241   1HG2  ILE  35          1HG2      ILE  35   3.505  -8.873  -4.448
  242   2HG2  ILE  35          2HG2      ILE  35   3.657  -8.437  -2.746
  243   3HG2  ILE  35          3HG2      ILE  35   2.099  -8.284  -3.561
  244   1HD1  ILE  35          1HD1      ILE  35   2.584  -6.093  -1.664
  245   2HD1  ILE  35          2HD1      ILE  35   3.844  -7.251  -1.233
  246   3HD1  ILE  35          3HD1      ILE  35   4.073  -5.536  -0.898
  247    H    VAL  36           H        VAL  36   4.721  -7.972  -7.570
  248    HA   VAL  36           HA       VAL  36   2.789  -6.798  -9.205
  249    HB   VAL  36           HB       VAL  36   3.040  -9.053 -10.522
  250   1HG1  VAL  36          1HG1      VAL  36   5.176  -6.982 -10.094
  251   2HG1  VAL  36          2HG1      VAL  36   5.301  -8.235 -11.329
  252   3HG1  VAL  36          3HG1      VAL  36   3.977  -7.072 -11.385
  253   1HG2  VAL  36          1HG2      VAL  36   4.437  -9.698  -8.184
  254   2HG2  VAL  36          2HG2      VAL  36   4.381 -10.616  -9.688
  255   3HG2  VAL  36          3HG2      VAL  36   5.670  -9.443  -9.420
  256    H    ALA  37           H        ALA  37   2.641 -10.211  -8.176
  257    HA   ALA  37           HA       ALA  37   0.878 -11.387  -7.258
  258   1HB   ALA  37          1HB       ALA  37   0.090  -8.914  -6.597
  259   2HB   ALA  37          2HB       ALA  37  -1.159  -9.310  -7.777
  260   3HB   ALA  37          3HB       ALA  37  -0.920 -10.341  -6.367
  261    H    GLU  38           H        GLU  38  -1.703 -11.635  -8.153
  262    HA   GLU  38           HA       GLU  38  -1.250 -12.615 -10.840
  263   1HB   GLU  38          1HB       GLU  38  -3.760 -12.804  -9.172
  264   2HB   GLU  38          2HB       GLU  38  -3.372 -13.742 -10.606
  265   1HG   GLU  38          1HG       GLU  38  -1.409 -14.668  -9.330
  266   2HG   GLU  38          2HG       GLU  38  -2.092 -13.904  -7.895
  267    H    CYS  39           H        CYS  39  -3.784 -10.620  -9.303
  268    HA   CYS  39           HA       CYS  39  -4.964  -9.776 -11.697
  269   1HB   CYS  39          1HB       CYS  39  -6.382  -8.606 -10.370
  270   2HB   CYS  39          2HB       CYS  39  -5.619  -9.538  -9.090
  271    H    GLY  40           H        GLY  40  -2.295  -8.457  -9.835
  272   1HA   GLY  40          1HA       GLY  40  -1.045  -6.513 -10.175
  273   2HA   GLY  40          2HA       GLY  40  -0.764  -7.352 -11.691
  274    H    GLY  41           H        GLY  41  -3.315  -5.318 -10.224
  275   1HA   GLY  41          1HA       GLY  41  -3.939  -3.185 -11.051
  276   2HA   GLY  41          2HA       GLY  41  -3.161  -3.576 -12.575
  277    H    SER  42           H        SER  42  -5.325  -5.822 -11.030
  278    HA   SER  42           HA       SER  42  -7.477  -5.079 -12.878
  279   1HB   SER  42          1HB       SER  42  -6.082  -7.723 -12.674
  280   2HB   SER  42          2HB       SER  42  -7.798  -7.682 -13.085
  281    HG   SER  42           HG       SER  42  -6.995  -7.420 -15.027
  282    H    CYS  43           H        CYS  43  -6.667  -5.348  -9.798
  283    HA   CYS  43           HA       CYS  43  -7.697  -5.912  -7.830
  284   1HB   CYS  43          1HB       CYS  43  -8.991  -3.937  -8.748
  285   2HB   CYS  43          2HB       CYS  43 -10.198  -5.090  -9.307
  286    HG   CYS  43           HG       CYS  43  -9.592  -5.109  -6.287
  287    H    VAL  44           H        VAL  44  -7.213  -8.222  -8.453
  288    HA   VAL  44           HA       VAL  44  -9.665  -9.769  -8.182
  289    HB   VAL  44           HB       VAL  44  -7.638 -10.513 -10.291
  290   1HG1  VAL  44          1HG1      VAL  44  -9.942 -11.826  -9.087
  291   2HG1  VAL  44          2HG1      VAL  44 -10.022 -11.765 -10.848
  292   3HG1  VAL  44          3HG1      VAL  44  -8.629 -12.499 -10.054
  293   1HG2  VAL  44          1HG2      VAL  44 -10.093  -8.843 -10.448
  294   2HG2  VAL  44          2HG2      VAL  44  -8.579  -8.716 -11.341
  295   3HG2  VAL  44          3HG2      VAL  44  -9.754  -9.958 -11.772
  296    H    CYS  45           H        CYS  45  -6.923  -9.051  -6.834
  297    HA   CYS  45           HA       CYS  45  -6.506 -11.754  -5.797
  298   1HB   CYS  45          1HB       CYS  45  -4.247 -11.845  -6.199
  299   2HB   CYS  45          2HB       CYS  45  -4.762 -10.929  -7.609
  300    H    ALA  46           H        ALA  46  -4.776 -11.504  -3.885
  301    HA   ALA  46           HA       ALA  46  -5.291  -9.062  -2.367
  302   1HB   ALA  46          1HB       ALA  46  -7.107 -10.596  -1.764
  303   2HB   ALA  46          2HB       ALA  46  -5.917 -11.805  -1.278
  304   3HB   ALA  46          3HB       ALA  46  -6.036 -10.281  -0.398
  305    H    THR  47           H        THR  47  -2.970 -10.462  -3.651
  306    HA   THR  47           HA       THR  47  -1.322 -11.168  -1.353
  307    HB   THR  47           HB       THR  47   0.180 -12.128  -2.841
  308    HG1  THR  47           HG1      THR  47   0.358 -11.501  -4.999
  309   1HG2  THR  47          1HG2      THR  47  -2.525 -12.665  -3.352
  310   2HG2  THR  47          2HG2      THR  47  -1.719 -12.583  -4.918
  311   3HG2  THR  47          3HG2      THR  47  -1.128 -13.690  -3.679
  312    H    CYS  48           H        CYS  48  -2.156  -8.393  -2.974
  313    HA   CYS  48           HA       CYS  48   0.444  -7.105  -2.782
  314   1HB   CYS  48          1HB       CYS  48  -0.649  -5.172  -3.771
  315   2HB   CYS  48          2HB       CYS  48  -1.045  -6.617  -4.694
  316    H    ARG  49           H        ARG  49  -1.172  -8.074  -0.421
  317    HA   ARG  49           HA       ARG  49  -2.310  -6.047   1.050
  318   1HB   ARG  49          1HB       ARG  49  -0.539  -8.234   2.152
  319   2HB   ARG  49          2HB       ARG  49  -1.764  -7.337   3.038
  320   1HG   ARG  49          1HG       ARG  49  -3.184  -8.364   0.931
  321   2HG   ARG  49          2HG       ARG  49  -2.033  -9.651   1.295
  322   1HD   ARG  49          1HD       ARG  49  -4.170  -8.470   3.017
  323   2HD   ARG  49          2HD       ARG  49  -3.806 -10.164   2.691
  324    HE   ARG  49           HE       ARG  49  -2.531  -8.444   4.657
  325   1HH1  ARG  49          1HH1      ARG  49  -2.525 -11.492   2.962
  326   2HH1  ARG  49          2HH1      ARG  49  -1.519 -12.283   4.130
  327   1HH2  ARG  49          1HH2      ARG  49  -1.208  -9.479   6.193
  328   2HH2  ARG  49          2HH2      ARG  49  -0.771 -11.139   5.965
  329    H    ILE  50           H        ILE  50  -1.136  -4.125   0.531
  330    HA   ILE  50           HA       ILE  50   1.593  -3.855   1.442
  331    HB   ILE  50           HB       ILE  50   0.580  -2.653  -0.573
  332   1HG1  ILE  50          1HG1      ILE  50   1.934  -0.604  -0.141
  333   2HG1  ILE  50          2HG1      ILE  50   2.077  -1.093   1.544
  334   1HG2  ILE  50          1HG2      ILE  50  -1.448  -1.887   0.643
  335   2HG2  ILE  50          2HG2      ILE  50  -0.429  -0.770   1.552
  336   3HG2  ILE  50          3HG2      ILE  50  -0.590  -0.595  -0.196
  337   1HD1  ILE  50          1HD1      ILE  50   3.090  -2.658  -0.818
  338   2HD1  ILE  50          2HD1      ILE  50   4.068  -1.649   0.247
  339   3HD1  ILE  50          3HD1      ILE  50   3.277  -3.092   0.881
  340    H    GLU  51           H        GLU  51   2.273  -2.322   3.056
  341    HA   GLU  51           HA       GLU  51   0.190  -1.783   5.066
  342   1HB   GLU  51          1HB       GLU  51   2.771  -3.165   5.311
  343   2HB   GLU  51          2HB       GLU  51   2.477  -1.951   6.548
  344   1HG   GLU  51          1HG       GLU  51   0.103  -3.455   6.262
  345   2HG   GLU  51          2HG       GLU  51   1.450  -4.592   6.359
  346    H    ILE  52           H        ILE  52  -0.167   0.320   5.120
  347    HA   ILE  52           HA       ILE  52   1.726   2.318   4.359
  348    HB   ILE  52           HB       ILE  52  -0.837   2.519   5.953
  349   1HG1  ILE  52          1HG1      ILE  52  -0.888   1.663   3.528
  350   2HG1  ILE  52          2HG1      ILE  52  -1.962   2.986   3.963
  351   1HG2  ILE  52          1HG2      ILE  52   1.019   4.401   6.018
  352   2HG2  ILE  52          2HG2      ILE  52   0.265   4.853   4.491
  353   3HG2  ILE  52          3HG2      ILE  52  -0.700   4.783   5.963
  354   1HD1  ILE  52          1HD1      ILE  52   0.718   3.546   2.800
  355   2HD1  ILE  52          2HD1      ILE  52  -0.646   3.104   1.769
  356   3HD1  ILE  52          3HD1      ILE  52  -0.744   4.539   2.792
  357    H    GLU  53           H        GLU  53   3.077   3.629   5.746
  358    HA   GLU  53           HA       GLU  53   3.819   2.358   8.145
  359   1HB   GLU  53          1HB       GLU  53   5.402   3.949   8.328
  360   2HB   GLU  53          2HB       GLU  53   4.810   4.519   6.778
  361   1HG   GLU  53          1HG       GLU  53   4.663   6.475   7.859
  362   2HG   GLU  53          2HG       GLU  53   3.146   5.806   8.421
  363    H    ASP  54           H        ASP  54   3.407   3.182  10.447
  364    HA   ASP  54           HA       ASP  54   0.573   3.417  10.792
  365   1HB   ASP  54          1HB       ASP  54   2.688   2.473  12.330
  366   2HB   ASP  54          2HB       ASP  54   2.106   3.878  13.219
  367    H    ALA  55           H        ALA  55   2.096   5.767   9.658
  368    HA   ALA  55           HA       ALA  55   1.149   7.809  11.532
  369   1HB   ALA  55          1HB       ALA  55   3.640   7.686  10.812
  370   2HB   ALA  55          2HB       ALA  55   3.056   8.366   9.292
  371   3HB   ALA  55          3HB       ALA  55   2.821   9.248  10.802
  372    H    TRP  56           H        TRP  56   1.014   6.484   8.354
  373    HA   TRP  56           HA       TRP  56  -0.668   8.678   7.413
  374   1HB   TRP  56          1HB       TRP  56   0.711   6.503   5.885
  375   2HB   TRP  56          2HB       TRP  56  -0.136   7.884   5.198
  376    HD1  TRP  56           HD1      TRP  56   2.729   7.239   7.649
  377    HE1  TRP  56           HE1      TRP  56   4.438   9.112   7.434
  378    HE3  TRP  56           HE3      TRP  56   0.334  10.005   4.078
  379    HZ2  TRP  56           HZ2      TRP  56   4.782  11.423   5.898
  380    HZ3  TRP  56           HZ3      TRP  56   1.494  12.028   3.258
  381    HH2  TRP  56           HH2      TRP  56   3.648  12.704   4.150
  382    H    VAL  57           H        VAL  57  -1.310   5.893   8.869
  383    HA   VAL  57           HA       VAL  57  -3.149   4.732   7.041
  384    HB   VAL  57           HB       VAL  57  -3.160   4.583  10.051
  385   1HG1  VAL  57          1HG1      VAL  57  -5.188   3.918   8.774
  386   2HG1  VAL  57          2HG1      VAL  57  -4.214   2.670   7.995
  387   3HG1  VAL  57          3HG1      VAL  57  -4.467   2.623   9.742
  388   1HG2  VAL  57          1HG2      VAL  57  -1.037   4.022   8.680
  389   2HG2  VAL  57          2HG2      VAL  57  -1.582   2.919   9.949
  390   3HG2  VAL  57          3HG2      VAL  57  -1.924   2.556   8.255
  391    H    GLU  58           H        GLU  58  -3.178   7.130   9.541
  392    HA   GLU  58           HA       GLU  58  -6.030   7.572   9.348
  393   1HB   GLU  58          1HB       GLU  58  -3.803   8.669  10.990
  394   2HB   GLU  58          2HB       GLU  58  -5.175   9.731  10.712
  395   1HG   GLU  58          1HG       GLU  58  -5.244   6.999  11.972
  396   2HG   GLU  58          2HG       GLU  58  -5.454   8.548  12.790
  397    H    ILE  59           H        ILE  59  -3.386   8.232   7.513
  398    HA   ILE  59           HA       ILE  59  -4.413  10.805   6.486
  399    HB   ILE  59           HB       ILE  59  -1.769   9.412   6.193
  400   1HG1  ILE  59          1HG1      ILE  59  -2.017  12.305   6.652
  401   2HG1  ILE  59          2HG1      ILE  59  -2.568  11.271   7.964
  402   1HG2  ILE  59          1HG2      ILE  59  -2.422  10.092   3.945
  403   2HG2  ILE  59          2HG2      ILE  59  -2.741  11.727   4.527
  404   3HG2  ILE  59          3HG2      ILE  59  -1.098  11.091   4.548
  405   1HD1  ILE  59          1HD1      ILE  59  -0.037  10.405   6.918
  406   2HD1  ILE  59          2HD1      ILE  59   0.016  12.088   7.445
  407   3HD1  ILE  59          3HD1      ILE  59  -0.496  10.830   8.567
  408    H    VAL  60           H        VAL  60  -3.584   7.532   5.699
  409    HA   VAL  60           HA       VAL  60  -4.398   7.816   2.934
  410    HB   VAL  60           HB       VAL  60  -3.297   5.433   4.423
  411   1HG1  VAL  60          1HG1      VAL  60  -4.560   5.558   1.928
  412   2HG1  VAL  60          2HG1      VAL  60  -2.833   5.434   1.591
  413   3HG1  VAL  60          3HG1      VAL  60  -3.626   4.221   2.596
  414   1HG2  VAL  60          1HG2      VAL  60  -2.013   7.839   3.518
  415   2HG2  VAL  60          2HG2      VAL  60  -1.305   6.428   4.304
  416   3HG2  VAL  60          3HG2      VAL  60  -1.445   6.474   2.550
  417    H    GLY  61           H        GLY  61  -4.996   5.029   5.047
  418   1HA   GLY  61          1HA       GLY  61  -6.913   3.624   4.805
  419   2HA   GLY  61          2HA       GLY  61  -7.442   4.915   5.871
  420    H    GLU  62           H        GLU  62  -6.891   4.774   2.366
  421    HA   GLU  62           HA       GLU  62  -9.245   6.301   1.833
  422   1HB   GLU  62          1HB       GLU  62  -7.278   4.882   0.058
  423   2HB   GLU  62          2HB       GLU  62  -8.624   5.825  -0.565
  424   1HG   GLU  62          1HG       GLU  62  -6.652   7.026   1.335
  425   2HG   GLU  62          2HG       GLU  62  -6.314   6.933  -0.392
  426    H    ALA  63           H        ALA  63  -8.634   2.971   2.170
  427    HA   ALA  63           HA       ALA  63 -10.322   1.766   0.376
  428   1HB   ALA  63          1HB       ALA  63  -9.648   1.016   3.188
  429   2HB   ALA  63          2HB       ALA  63 -10.850   0.093   2.270
  430   3HB   ALA  63          3HB       ALA  63  -9.190   0.230   1.677
  431    H    ASN  64           H        ASN  64 -12.404   1.310   0.210
  432    HA   ASN  64           HA       ASN  64 -14.277   2.918   1.710
  433   1HB   ASN  64          1HB       ASN  64 -15.746   1.491  -0.125
  434   2HB   ASN  64          2HB       ASN  64 -15.080   3.089  -0.419
  435   1HD2  ASN  64          2HD2      ASN  64 -15.624   0.552  -2.043
  436   2HD2  ASN  64          1HD2      ASN  64 -14.170   0.342  -2.952
  437    HA   PRO  65           HA       PRO  65 -15.948  -0.377   4.103
  438   1HB   PRO  65          1HB       PRO  65 -18.589  -0.500   3.313
  439   2HB   PRO  65          2HB       PRO  65 -17.940   0.680   4.455
  440   1HG   PRO  65          1HG       PRO  65 -18.533   0.984   1.544
  441   2HG   PRO  65          2HG       PRO  65 -18.763   2.145   2.864
  442   1HD   PRO  65          1HD       PRO  65 -16.683   2.318   1.140
  443   2HD   PRO  65          2HD       PRO  65 -16.542   2.800   2.836
  444    H    ASP  66           H        ASP  66 -15.495  -0.725   0.846
  445    HA   ASP  66           HA       ASP  66 -16.778  -3.325   0.599
  446   1HB   ASP  66          1HB       ASP  66 -15.193  -1.686  -1.390
  447   2HB   ASP  66          2HB       ASP  66 -15.971  -3.225  -1.746
  448    H    GLU  67           H        GLU  67 -13.556  -2.059  -0.214
  449    HA   GLU  67           HA       GLU  67 -12.156  -4.377  -0.407
  450   1HB   GLU  67          1HB       GLU  67 -11.091  -2.276  -0.862
  451   2HB   GLU  67          2HB       GLU  67 -11.277  -1.758   0.808
  452   1HG   GLU  67          1HG       GLU  67  -9.643  -4.156   0.059
  453   2HG   GLU  67          2HG       GLU  67  -8.974  -2.525   0.068
  454    H    ASN  68           H        ASN  68 -12.570  -2.542   2.622
  455    HA   ASN  68           HA       ASN  68 -11.275  -4.325   4.317
  456   1HB   ASN  68          1HB       ASN  68 -12.225  -1.951   4.774
  457   2HB   ASN  68          2HB       ASN  68 -13.708  -2.799   5.201
  458   1HD2  ASN  68          2HD2      ASN  68 -13.199  -4.789   6.674
  459   2HD2  ASN  68          1HD2      ASN  68 -12.197  -4.428   8.036
  460    H    ASP  69           H        ASP  69 -14.577  -4.336   3.102
  461    HA   ASP  69           HA       ASP  69 -15.387  -6.539   4.779
  462   1HB   ASP  69          1HB       ASP  69 -16.722  -4.573   3.318
  463   2HB   ASP  69          2HB       ASP  69 -17.080  -6.071   2.463
  464    H    LEU  70           H        LEU  70 -14.587  -6.071   1.358
  465    HA   LEU  70           HA       LEU  70 -15.147  -8.580   0.367
  466   1HB   LEU  70          1HB       LEU  70 -14.520  -7.173  -1.307
  467   2HB   LEU  70          2HB       LEU  70 -13.269  -6.410  -0.347
  468    HG   LEU  70           HG       LEU  70 -11.900  -8.523  -0.678
  469   1HD1  LEU  70          1HD1      LEU  70 -14.252  -9.511  -1.711
  470   2HD1  LEU  70          2HD1      LEU  70 -13.286  -9.174  -3.148
  471   3HD1  LEU  70          3HD1      LEU  70 -12.654 -10.235  -1.889
  472   1HD2  LEU  70          1HD2      LEU  70 -12.502  -6.381  -2.571
  473   2HD2  LEU  70          2HD2      LEU  70 -10.949  -6.978  -1.989
  474   3HD2  LEU  70          3HD2      LEU  70 -11.771  -7.803  -3.313
  475    H    LEU  71           H        LEU  71 -12.089  -7.476   1.819
  476    HA   LEU  71           HA       LEU  71 -10.817 -10.006   1.654
  477   1HB   LEU  71          1HB       LEU  71 -10.009  -7.456   2.232
  478   2HB   LEU  71          2HB       LEU  71  -9.927  -8.219   3.807
  479    HG   LEU  71           HG       LEU  71  -8.586 -10.073   2.533
  480   1HD1  LEU  71          1HD1      LEU  71  -8.392  -7.702   0.695
  481   2HD1  LEU  71          2HD1      LEU  71  -7.186  -8.989   0.738
  482   3HD1  LEU  71          3HD1      LEU  71  -8.853  -9.357   0.296
  483   1HD2  LEU  71          1HD2      LEU  71  -7.442  -7.361   3.189
  484   2HD2  LEU  71          2HD2      LEU  71  -7.672  -8.703   4.311
  485   3HD2  LEU  71          3HD2      LEU  71  -6.508  -8.844   2.994
  486    H    GLN  72           H        GLN  72 -12.501  -8.319   4.281
  487    HA   GLN  72           HA       GLN  72 -12.046 -10.117   6.337
  488   1HB   GLN  72          1HB       GLN  72 -14.078  -8.065   5.736
  489   2HB   GLN  72          2HB       GLN  72 -14.579  -9.297   6.886
  490   1HG   GLN  72          1HG       GLN  72 -11.940  -8.367   7.517
  491   2HG   GLN  72          2HG       GLN  72 -13.053  -7.009   7.379
  492   1HE2  GLN  72          2HE2      GLN  72 -13.323 -10.332   8.599
  493   2HE2  GLN  72          1HE2      GLN  72 -13.961  -9.893  10.144
  494    H    SER  73           H        SER  73 -14.362 -10.276   3.700
  495    HA   SER  73           HA       SER  73 -15.983 -12.345   4.667
  496   1HB   SER  73          1HB       SER  73 -15.732 -10.876   2.263
  497   2HB   SER  73          2HB       SER  73 -15.654 -12.581   1.819
  498    HG   SER  73           HG       SER  73 -17.799 -11.204   2.365
  499    H    THR  74           H        THR  74 -12.750 -12.374   3.524
  500    HA   THR  74           HA       THR  74 -12.658 -15.103   2.687
  501    HB   THR  74           HB       THR  74 -10.291 -14.805   2.515
  502    HG1  THR  74           HG1      THR  74 -10.707 -12.624   4.259
  503   1HG2  THR  74          1HG2      THR  74 -11.781 -12.301   1.814
  504   2HG2  THR  74          2HG2      THR  74 -10.075 -12.532   1.430
  505   3HG2  THR  74          3HG2      THR  74 -11.286 -13.622   0.754
  506    H    GLY  75           H        GLY  75 -12.430 -13.475   5.734
  507   1HA   GLY  75          1HA       GLY  75 -12.817 -14.736   7.752
  508   2HA   GLY  75          2HA       GLY  75 -11.956 -16.082   7.023
  509    H    GLU  76           H        GLU  76  -9.929 -14.020   6.025
  510    HA   GLU  76           HA       GLU  76  -8.439 -13.832   8.559
  511   1HB   GLU  76          1HB       GLU  76  -7.237 -13.876   5.792
  512   2HB   GLU  76          2HB       GLU  76  -6.411 -14.093   7.329
  513   1HG   GLU  76          1HG       GLU  76  -6.913 -16.270   7.438
  514   2HG   GLU  76          2HG       GLU  76  -8.546 -16.029   6.820
  515    HA   PRO  77           HA       PRO  77  -9.434  -9.448   7.579
  516   1HB   PRO  77          1HB       PRO  77  -8.420  -9.283  10.371
  517   2HB   PRO  77          2HB       PRO  77  -9.863  -8.560   9.653
  518   1HG   PRO  77          1HG       PRO  77 -10.056 -10.673  11.264
  519   2HG   PRO  77          2HG       PRO  77 -11.095 -10.515   9.837
  520   1HD   PRO  77          1HD       PRO  77  -8.690 -12.236  10.253
  521   2HD   PRO  77          2HD       PRO  77 -10.187 -12.583   9.361
  522    H    MET  78           H        MET  78  -7.967  -7.454   8.409
  523    HA   MET  78           HA       MET  78  -5.237  -8.130   7.552
  524   1HB   MET  78          1HB       MET  78  -6.351  -5.344   7.581
  525   2HB   MET  78          2HB       MET  78  -5.052  -6.004   6.596
  526   1HG   MET  78          1HG       MET  78  -6.452  -6.575   4.973
  527   2HG   MET  78          2HG       MET  78  -7.562  -7.350   6.101
  528   1HE   MET  78          1HE       MET  78  -8.222  -5.123   8.062
  529   2HE   MET  78          2HE       MET  78  -9.547  -4.173   7.393
  530   3HE   MET  78          3HE       MET  78  -9.624  -5.935   7.365
  531    H    THR  79           H        THR  79  -3.898  -5.877   8.338
  532    HA   THR  79           HA       THR  79  -3.993  -6.095  11.274
  533    HB   THR  79           HB       THR  79  -1.622  -5.593  11.286
  534    HG1  THR  79           HG1      THR  79  -0.513  -5.258   9.345
  535   1HG2  THR  79          1HG2      THR  79  -2.406  -7.740   9.351
  536   2HG2  THR  79          2HG2      THR  79  -0.725  -7.439   9.788
  537   3HG2  THR  79          3HG2      THR  79  -1.891  -7.898  11.029
  538    H    ALA  80           H        ALA  80  -2.389  -3.951  11.935
  539    HA   ALA  80           HA       ALA  80  -4.239  -1.768  11.573
  540   1HB   ALA  80          1HB       ALA  80  -1.863  -2.273  13.278
  541   2HB   ALA  80          2HB       ALA  80  -2.332  -0.600  12.970
  542   3HB   ALA  80          3HB       ALA  80  -3.477  -1.715  13.718
  543    H    GLY  81           H        GLY  81  -4.152  -0.382   9.955
  544   1HA   GLY  81          1HA       GLY  81  -3.186   1.243   8.596
  545   2HA   GLY  81          2HA       GLY  81  -1.596   0.658   9.040
  546    H    THR  82           H        THR  82  -3.562  -1.907   8.169
  547    HA   THR  82           HA       THR  82  -2.068  -2.370   5.777
  548    HB   THR  82           HB       THR  82  -4.482  -3.998   6.196
  549    HG1  THR  82           HG1      THR  82  -2.443  -4.250   8.118
  550   1HG2  THR  82          1HG2      THR  82  -2.455  -4.561   4.762
  551   2HG2  THR  82          2HG2      THR  82  -1.632  -4.909   6.283
  552   3HG2  THR  82          3HG2      THR  82  -3.073  -5.819   5.832
  553    H    ARG  83           H        ARG  83  -2.800  -2.436   3.653
  554    HA   ARG  83           HA       ARG  83  -5.488  -1.728   2.950
  555   1HB   ARG  83          1HB       ARG  83  -3.562   0.371   3.304
  556   2HB   ARG  83          2HB       ARG  83  -3.996   0.265   1.603
  557   1HG   ARG  83          1HG       ARG  83  -5.824   0.726   3.943
  558   2HG   ARG  83          2HG       ARG  83  -5.465   1.826   2.611
  559   1HD   ARG  83          1HD       ARG  83  -6.445  -0.679   1.602
  560   2HD   ARG  83          2HD       ARG  83  -7.567  -0.022   2.791
  561    HE   ARG  83           HE       ARG  83  -7.229   2.117   1.325
  562   1HH1  ARG  83          1HH1      ARG  83  -7.573  -1.181   0.240
  563   2HH1  ARG  83          2HH1      ARG  83  -8.268  -0.738  -1.282
  564   1HH2  ARG  83          1HH2      ARG  83  -8.143   2.702  -0.668
  565   2HH2  ARG  83          2HH2      ARG  83  -8.594   1.471  -1.796
  566    H    LEU  84           H        LEU  84  -5.060  -0.801   0.373
  567    HA   LEU  84           HA       LEU  84  -3.626  -3.064  -0.851
  568   1HB   LEU  84          1HB       LEU  84  -6.291  -1.987  -1.267
  569   2HB   LEU  84          2HB       LEU  84  -5.377  -2.052  -2.761
  570    HG   LEU  84           HG       LEU  84  -4.894  -4.492  -2.187
  571   1HD1  LEU  84          1HD1      LEU  84  -7.166  -3.999  -0.268
  572   2HD1  LEU  84          2HD1      LEU  84  -6.499  -5.574  -0.696
  573   3HD1  LEU  84          3HD1      LEU  84  -5.504  -4.401   0.167
  574   1HD2  LEU  84          1HD2      LEU  84  -6.614  -3.542  -3.836
  575   2HD2  LEU  84          2HD2      LEU  84  -6.809  -5.213  -3.308
  576   3HD2  LEU  84          3HD2      LEU  84  -7.812  -3.943  -2.606
  577    H    SER  85           H        SER  85  -1.734  -2.370  -1.614
  578    HA   SER  85           HA       SER  85  -1.073   0.273  -2.217
  579   1HB   SER  85          1HB       SER  85   0.868  -0.773  -3.483
  580   2HB   SER  85          2HB       SER  85   0.703  -1.253  -1.795
  581    HG   SER  85           HG       SER  85  -0.737  -2.940  -3.220
  582    H    CYS  86           H        CYS  86  -2.663  -2.151  -4.133
  583    HA   CYS  86           HA       CYS  86  -2.355  -0.524  -6.550
  584   1HB   CYS  86          1HB       CYS  86  -2.867  -2.394  -7.806
  585   2HB   CYS  86          2HB       CYS  86  -2.096  -3.137  -6.410
  586    H    GLN  87           H        GLN  87  -4.200  -0.186  -4.046
  587    HA   GLN  87           HA       GLN  87  -6.622   0.376  -5.620
  588   1HB   GLN  87          1HB       GLN  87  -6.735  -1.580  -3.949
  589   2HB   GLN  87          2HB       GLN  87  -6.714  -0.342  -2.702
  590   1HG   GLN  87          1HG       GLN  87  -8.977  -1.218  -3.416
  591   2HG   GLN  87          2HG       GLN  87  -8.778   0.532  -3.380
  592   1HE2  GLN  87          2HE2      GLN  87  -9.752  -2.099  -5.201
  593   2HE2  GLN  87          1HE2      GLN  87  -9.877  -1.321  -6.739
  594    H    VAL  88           H        VAL  88  -4.299   1.518  -3.315
  595    HA   VAL  88           HA       VAL  88  -5.893   3.919  -2.785
  596    HB   VAL  88           HB       VAL  88  -3.433   2.769  -1.481
  597   1HG1  VAL  88          1HG1      VAL  88  -4.435   5.544  -1.505
  598   2HG1  VAL  88          2HG1      VAL  88  -3.937   4.890   0.055
  599   3HG1  VAL  88          3HG1      VAL  88  -2.798   4.927  -1.291
  600   1HG2  VAL  88          1HG2      VAL  88  -6.186   3.448  -0.451
  601   2HG2  VAL  88          2HG2      VAL  88  -5.546   1.833  -0.752
  602   3HG2  VAL  88          3HG2      VAL  88  -4.856   2.829   0.529
  603    H    PHE  89           H        PHE  89  -5.305   5.896  -3.590
  604    HA   PHE  89           HA       PHE  89  -2.754   6.017  -5.045
  605   1HB   PHE  89          1HB       PHE  89  -5.441   7.011  -5.983
  606   2HB   PHE  89          2HB       PHE  89  -3.912   7.417  -6.764
  607    HD1  PHE  89           HD1      PHE  89  -5.602   4.350  -5.472
  608    HD2  PHE  89           HD2      PHE  89  -3.401   6.192  -8.617
  609    HE1  PHE  89           HE1      PHE  89  -5.690   2.249  -6.753
  610    HE2  PHE  89           HE2      PHE  89  -3.491   4.096  -9.918
  611    HZ   PHE  89           HZ       PHE  89  -4.637   2.119  -8.982
  612    H    ILE  90           H        ILE  90  -1.895   8.093  -5.434
  613    HA   ILE  90           HA       ILE  90  -1.806   9.707  -3.145
  614    HB   ILE  90           HB       ILE  90  -0.751  10.176  -5.931
  615   1HG1  ILE  90          1HG1      ILE  90  -0.049   8.163  -4.367
  616   2HG1  ILE  90          2HG1      ILE  90   1.157   9.060  -5.290
  617   1HG2  ILE  90          1HG2      ILE  90  -0.425  11.686  -3.387
  618   2HG2  ILE  90          2HG2      ILE  90   0.934  11.544  -4.495
  619   3HG2  ILE  90          3HG2      ILE  90  -0.568  12.289  -5.031
  620   1HD1  ILE  90          1HD1      ILE  90   1.607  10.460  -3.299
  621   2HD1  ILE  90          2HD1      ILE  90   0.449   9.464  -2.400
  622   3HD1  ILE  90          3HD1      ILE  90   1.923   8.735  -3.029
  623    H    ASP  91           H        ASP  91  -2.201  11.930  -2.943
  624    HA   ASP  91           HA       ASP  91  -3.589  13.610  -4.638
  625   1HB   ASP  91          1HB       ASP  91  -5.813  13.270  -4.154
  626   2HB   ASP  91          2HB       ASP  91  -5.292  11.663  -3.678
  627    HA   PRO  92           HA       PRO  92  -2.070  16.220  -1.384
  628   1HB   PRO  92          1HB       PRO  92  -4.586  17.747  -1.140
  629   2HB   PRO  92          2HB       PRO  92  -2.996  18.289  -1.687
  630   1HG   PRO  92          1HG       PRO  92  -5.042  18.000  -3.403
  631   2HG   PRO  92          2HG       PRO  92  -3.374  17.625  -3.873
  632   1HD   PRO  92          1HD       PRO  92  -5.574  15.758  -3.062
  633   2HD   PRO  92          2HD       PRO  92  -4.395  15.595  -4.383
  634    H    SER  93           H        SER  93  -3.192  13.828  -0.528
  635    HA   SER  93           HA       SER  93  -3.958  14.470   2.199
  636   1HB   SER  93          1HB       SER  93  -5.980  13.416   2.081
  637   2HB   SER  93          2HB       SER  93  -5.824  13.669   0.332
  638    HG   SER  93           HG       SER  93  -5.102  11.613   0.104
  639    H    MET  94           H        MET  94  -1.728  13.280   0.376
  640    HA   MET  94           HA       MET  94  -0.783  11.354   2.233
  641   1HB   MET  94          1HB       MET  94  -2.023  10.545  -0.353
  642   2HB   MET  94          2HB       MET  94  -0.589   9.689   0.179
  643   1HG   MET  94          1HG       MET  94  -1.792   9.316   2.362
  644   2HG   MET  94          2HG       MET  94  -3.234   9.891   1.546
  645   1HE   MET  94          1HE       MET  94  -4.648   8.863   0.526
  646   2HE   MET  94          2HE       MET  94  -4.505   7.516  -0.605
  647   3HE   MET  94          3HE       MET  94  -4.827   7.207   1.101
  648    H    ASP  95           H        ASP  95   0.321  13.718   1.449
  649    HA   ASP  95           HA       ASP  95   2.257  13.110  -0.587
  650   1HB   ASP  95          1HB       ASP  95   1.432  15.629   0.796
  651   2HB   ASP  95          2HB       ASP  95   2.984  15.569  -0.020
  652    H    GLY  96           H        GLY  96   4.305  12.476  -0.150
  653   1HA   GLY  96          1HA       GLY  96   6.250  12.187   1.079
  654   2HA   GLY  96          2HA       GLY  96   5.560  13.185   2.348
  655    H    LEU  97           H        LEU  97   3.927  10.428   0.967
  656    HA   LEU  97           HA       LEU  97   3.312   9.284   3.443
  657   1HB   LEU  97          1HB       LEU  97   3.395   7.827   0.821
  658   2HB   LEU  97          2HB       LEU  97   2.482   7.385   2.246
  659    HG   LEU  97           HG       LEU  97   1.885  10.034   1.152
  660   1HD1  LEU  97          1HD1      LEU  97   2.012   7.724  -0.551
  661   2HD1  LEU  97          2HD1      LEU  97   0.342   8.265  -0.393
  662   3HD1  LEU  97          3HD1      LEU  97   1.586   9.381  -0.954
  663   1HD2  LEU  97          1HD2      LEU  97   0.761   8.245   2.934
  664   2HD2  LEU  97          2HD2      LEU  97  -0.005   9.686   2.275
  665   3HD2  LEU  97          3HD2      LEU  97  -0.261   8.123   1.507
  666    H    ILE  98           H        ILE  98   3.684   7.116   4.062
  667    HA   ILE  98           HA       ILE  98   6.349   6.116   3.460
  668    HB   ILE  98           HB       ILE  98   5.224   6.220   6.232
  669   1HG1  ILE  98          1HG1      ILE  98   7.083   7.770   6.714
  670   2HG1  ILE  98          2HG1      ILE  98   7.521   7.744   5.005
  671   1HG2  ILE  98          1HG2      ILE  98   6.954   4.381   5.201
  672   2HG2  ILE  98          2HG2      ILE  98   8.046   5.577   5.901
  673   3HG2  ILE  98          3HG2      ILE  98   6.818   4.808   6.907
  674   1HD1  ILE  98          1HD1      ILE  98   4.742   8.352   5.347
  675   2HD1  ILE  98          2HD1      ILE  98   5.755   9.475   6.258
  676   3HD1  ILE  98          3HD1      ILE  98   6.006   9.270   4.530
  677    H    VAL  99           H        VAL  99   6.019   4.228   2.520
  678    HA   VAL  99           HA       VAL  99   3.832   2.570   3.459
  679    HB   VAL  99           HB       VAL  99   5.105   1.764   0.993
  680   1HG1  VAL  99          1HG1      VAL  99   2.497   1.874   2.306
  681   2HG1  VAL  99          2HG1      VAL  99   2.462   2.054   0.545
  682   3HG1  VAL  99          3HG1      VAL  99   3.204   0.627   1.270
  683   1HG2  VAL  99          1HG2      VAL  99   5.268   4.196   0.721
  684   2HG2  VAL  99          2HG2      VAL  99   4.055   3.512  -0.363
  685   3HG2  VAL  99          3HG2      VAL  99   3.553   4.349   1.107
  686    H    ARG 100           H        ARG 100   4.074   0.282   3.630
  687    HA   ARG 100           HA       ARG 100   6.816  -0.727   3.751
  688   1HB   ARG 100          1HB       ARG 100   4.844  -1.117   6.006
  689   2HB   ARG 100          2HB       ARG 100   6.489  -1.733   5.935
  690   1HG   ARG 100          1HG       ARG 100   7.423   0.363   6.288
  691   2HG   ARG 100          2HG       ARG 100   5.948   1.209   5.810
  692   1HD   ARG 100          1HD       ARG 100   5.850   1.431   8.092
  693   2HD   ARG 100          2HD       ARG 100   4.934  -0.058   7.865
  694    HE   ARG 100           HE       ARG 100   7.789  -0.302   8.406
  695   1HH1  ARG 100          1HH1      ARG 100   4.512  -0.510   9.589
  696   2HH1  ARG 100          2HH1      ARG 100   4.938  -1.473  10.961
  697   1HH2  ARG 100          1HH2      ARG 100   8.350  -1.567  10.216
  698   2HH2  ARG 100          2HH2      ARG 100   7.114  -2.073  11.320
  699    H    VAL 101           H        VAL 101   6.848  -3.136   4.085
  700    HA   VAL 101           HA       VAL 101   4.504  -4.392   2.814
  701    HB   VAL 101           HB       VAL 101   7.406  -5.098   2.356
  702   1HG1  VAL 101          1HG1      VAL 101   4.889  -6.283   1.190
  703   2HG1  VAL 101          2HG1      VAL 101   6.534  -6.679   0.692
  704   3HG1  VAL 101          3HG1      VAL 101   5.990  -7.071   2.323
  705   1HG2  VAL 101          1HG2      VAL 101   6.286  -2.987   1.277
  706   2HG2  VAL 101          2HG2      VAL 101   7.304  -4.055   0.312
  707   3HG2  VAL 101          3HG2      VAL 101   5.548  -4.183   0.212
  708    HA   PRO 102           HA       PRO 102   4.804  -6.813   6.576
  709   1HB   PRO 102          1HB       PRO 102   2.460  -8.102   6.310
  710   2HB   PRO 102          2HB       PRO 102   2.543  -6.399   6.780
  711   1HG   PRO 102          1HG       PRO 102   1.965  -7.601   4.102
  712   2HG   PRO 102          2HG       PRO 102   1.169  -6.238   4.910
  713   1HD   PRO 102          1HD       PRO 102   3.074  -5.939   2.970
  714   2HD   PRO 102          2HD       PRO 102   2.785  -4.746   4.252
  715    H    LEU 103           H        LEU 103   4.284  -9.232   7.035
  716    HA   LEU 103           HA       LEU 103   5.766 -10.781   5.053
  717   1HB   LEU 103          1HB       LEU 103   4.925 -12.040   7.590
  718   2HB   LEU 103          2HB       LEU 103   6.461 -12.122   6.751
  719    HG   LEU 103           HG       LEU 103   5.491  -9.892   8.535
  720   1HD1  LEU 103          1HD1      LEU 103   7.569 -12.038   8.775
  721   2HD1  LEU 103          2HD1      LEU 103   7.683 -10.544   9.704
  722   3HD1  LEU 103          3HD1      LEU 103   6.287 -11.603   9.905
  723   1HD2  LEU 103          1HD2      LEU 103   7.725 -10.024   6.571
  724   2HD2  LEU 103          2HD2      LEU 103   6.676  -8.673   6.998
  725   3HD2  LEU 103          3HD2      LEU 103   7.974  -9.160   8.087
  726    HA   PRO 104           HA       PRO 104   1.991 -12.752   3.802
  727   1HB   PRO 104          1HB       PRO 104   3.020 -14.314   1.888
  728   2HB   PRO 104          2HB       PRO 104   2.951 -12.558   1.703
  729   1HG   PRO 104          1HG       PRO 104   5.268 -14.302   2.392
  730   2HG   PRO 104          2HG       PRO 104   5.218 -12.842   1.391
  731   1HD   PRO 104          1HD       PRO 104   6.029 -12.960   4.056
  732   2HD   PRO 104          2HD       PRO 104   5.566 -11.488   3.183
  733    H    ALA 105           H        ALA 105   1.374 -15.123   3.236
  734    HA   ALA 105           HA       ALA 105   1.734 -16.673   5.586
  735   1HB   ALA 105          1HB       ALA 105   0.104 -16.795   3.187
  736   2HB   ALA 105          2HB       ALA 105   0.650 -18.388   3.711
  737   3HB   ALA 105          3HB       ALA 105  -0.247 -17.353   4.823
  Start of MODEL    6
    1   2H    PRO   1          2H        PRO   1   4.172  15.070  -4.933
    2   1H    PRO   1          1H        PRO   1   4.922  13.624  -5.183
    3    HA   PRO   1           HA       PRO   1   4.680  15.056  -2.924
    4   1HB   PRO   1          1HB       PRO   1   3.703  12.326  -2.338
    5   2HB   PRO   1          2HB       PRO   1   3.339  13.842  -1.543
    6   1HG   PRO   1          1HG       PRO   1   1.544  12.806  -3.083
    7   2HG   PRO   1          2HG       PRO   1   1.889  14.541  -3.216
    8   1HD   PRO   1          1HD       PRO   1   2.957  12.294  -4.915
    9   2HD   PRO   1          2HD       PRO   1   2.150  13.769  -5.445
   10    H    ARG   2           H        ARG   2   5.389  13.228  -1.122
   11    HA   ARG   2           HA       ARG   2   7.853  11.986  -2.233
   12   1HB   ARG   2          1HB       ARG   2   8.631  13.717  -0.829
   13   2HB   ARG   2          2HB       ARG   2   7.347  13.466   0.343
   14   1HG   ARG   2          1HG       ARG   2   9.176  12.631   1.448
   15   2HG   ARG   2          2HG       ARG   2   8.504  11.170   0.728
   16   1HD   ARG   2          1HD       ARG   2  10.252  10.904  -0.677
   17   2HD   ARG   2          2HD       ARG   2  10.436  12.637  -0.940
   18    HE   ARG   2           HE       ARG   2  11.259  12.170   1.650
   19   1HH1  ARG   2          1HH1      ARG   2  12.183  11.119  -1.537
   20   2HH1  ARG   2          2HH1      ARG   2  13.852  10.908  -1.128
   21   1HH2  ARG   2          1HH2      ARG   2  13.458  11.892   2.204
   22   2HH2  ARG   2          2HH2      ARG   2  14.576  11.348   1.000
   23    H    VAL   3           H        VAL   3   8.502   9.886  -0.989
   24    HA   VAL   3           HA       VAL   3   6.391   8.849   0.645
   25    HB   VAL   3           HB       VAL   3   6.498   8.288  -2.223
   26   1HG1  VAL   3          1HG1      VAL   3   7.240   6.113  -0.946
   27   2HG1  VAL   3          2HG1      VAL   3   5.516   6.033  -0.601
   28   3HG1  VAL   3          3HG1      VAL   3   6.080   6.098  -2.277
   29   1HG2  VAL   3          1HG2      VAL   3   4.567   8.423  -0.018
   30   2HG2  VAL   3          2HG2      VAL   3   4.536   9.178  -1.620
   31   3HG2  VAL   3          3HG2      VAL   3   4.164   7.460  -1.446
   32    H    VAL   4           H        VAL   4   6.741   6.610   1.283
   33    HA   VAL   4           HA       VAL   4   9.432   5.644   0.922
   34    HB   VAL   4           HB       VAL   4   8.531   6.719   3.561
   35   1HG1  VAL   4          1HG1      VAL   4   9.994   4.223   3.082
   36   2HG1  VAL   4          2HG1      VAL   4  10.821   5.347   4.164
   37   3HG1  VAL   4          3HG1      VAL   4   9.187   4.798   4.544
   38   1HG2  VAL   4          1HG2      VAL   4  10.751   7.058   1.652
   39   2HG2  VAL   4          2HG2      VAL   4   9.960   8.245   2.691
   40   3HG2  VAL   4          3HG2      VAL   4  11.173   7.154   3.363
   41    H    PHE   5           H        PHE   5   9.140   3.710   0.371
   42    HA   PHE   5           HA       PHE   5   6.935   2.084   1.388
   43   1HB   PHE   5          1HB       PHE   5   9.046   1.737  -0.716
   44   2HB   PHE   5          2HB       PHE   5   8.009   0.413  -0.231
   45    HD1  PHE   5           HD1      PHE   5   6.712   3.909  -0.576
   46    HD2  PHE   5           HD2      PHE   5   7.155   0.070  -2.370
   47    HE1  PHE   5           HE1      PHE   5   5.180   4.544  -2.370
   48    HE2  PHE   5           HE2      PHE   5   5.620   0.680  -4.114
   49    HZ   PHE   5           HZ       PHE   5   4.596   2.912  -4.131
   50    H    ILE   6           H        ILE   6   7.659  -0.273   1.811
   51    HA   ILE   6           HA       ILE   6  10.256  -0.685   2.919
   52    HB   ILE   6           HB       ILE   6   7.924  -1.216   4.719
   53   1HG1  ILE   6          1HG1      ILE   6   8.181   1.265   4.164
   54   2HG1  ILE   6          2HG1      ILE   6   8.256   0.844   5.866
   55   1HG2  ILE   6          1HG2      ILE   6  10.824  -1.457   4.753
   56   2HG2  ILE   6          2HG2      ILE   6  10.109  -0.846   6.243
   57   3HG2  ILE   6          3HG2      ILE   6   9.594  -2.400   5.588
   58   1HD1  ILE   6          1HD1      ILE   6  10.709   1.100   4.212
   59   2HD1  ILE   6          2HD1      ILE   6   9.928   2.516   4.898
   60   3HD1  ILE   6          3HD1      ILE   6  10.533   1.240   5.957
   61    H    ASP   7           H        ASP   7  10.483  -3.011   3.625
   62    HA   ASP   7           HA       ASP   7   8.471  -4.890   2.997
   63   1HB   ASP   7          1HB       ASP   7   9.391  -3.935   0.721
   64   2HB   ASP   7          2HB       ASP   7  10.693  -5.082   1.015
   65    H    GLU   8           H        GLU   8   9.895  -7.115   2.368
   66    HA   GLU   8           HA       GLU   8  11.626  -7.405   4.709
   67   1HB   GLU   8          1HB       GLU   8   9.776  -8.859   4.886
   68   2HB   GLU   8          2HB       GLU   8   9.875  -9.323   3.192
   69   1HG   GLU   8          1HG       GLU   8  11.467 -10.869   3.564
   70   2HG   GLU   8          2HG       GLU   8  12.226  -9.927   4.845
   71    H    GLN   9           H        GLN   9  11.910  -6.947   1.478
   72    HA   GLN   9           HA       GLN   9  14.045  -8.873   1.027
   73   1HB   GLN   9          1HB       GLN   9  12.653  -6.845  -0.703
   74   2HB   GLN   9          2HB       GLN   9  14.152  -7.603  -1.227
   75   1HG   GLN   9          1HG       GLN   9  12.239  -9.556  -0.287
   76   2HG   GLN   9          2HG       GLN   9  11.583  -8.564  -1.589
   77   1HE2  GLN   9          2HE2      GLN   9  11.667 -10.851  -2.506
   78   2HE2  GLN   9          1HE2      GLN   9  13.086 -11.254  -3.406
   79    H    SER  10           H        SER  10  13.582  -5.409   1.401
   80    HA   SER  10           HA       SER  10  16.493  -5.126   1.757
   81   1HB   SER  10          1HB       SER  10  16.451  -3.753  -0.024
   82   2HB   SER  10          2HB       SER  10  14.689  -3.703  -0.037
   83    HG   SER  10           HG       SER  10  15.236  -1.672   0.463
   84    H    GLY  11           H        GLY  11  13.342  -4.573   2.976
   85   1HA   GLY  11          1HA       GLY  11  12.713  -3.949   5.108
   86   2HA   GLY  11          2HA       GLY  11  14.398  -3.615   5.468
   87    H    GLU  12           H        GLU  12  13.178  -2.175   2.646
   88    HA   GLU  12           HA       GLU  12  11.863   0.068   3.438
   89   1HB   GLU  12          1HB       GLU  12  13.534   0.774   4.928
   90   2HB   GLU  12          2HB       GLU  12  14.824   0.387   3.796
   91   1HG   GLU  12          1HG       GLU  12  14.182   2.220   2.369
   92   2HG   GLU  12          2HG       GLU  12  12.794   2.570   3.396
   93    H    TYR  13           H        TYR  13  11.442   1.449   1.839
   94    HA   TYR  13           HA       TYR  13  12.999   1.354  -0.608
   95   1HB   TYR  13          1HB       TYR  13  10.159   0.428  -0.336
   96   2HB   TYR  13          2HB       TYR  13  10.846   0.911  -1.886
   97    HD1  TYR  13           HD1      TYR  13  11.183  -1.463   0.926
   98    HD2  TYR  13           HD2      TYR  13  12.228  -0.564  -3.085
   99    HE1  TYR  13           HE1      TYR  13  12.140  -3.723   0.679
  100    HE2  TYR  13           HE2      TYR  13  13.171  -2.793  -3.366
  101    HH   TYR  13           HH       TYR  13  13.171  -4.961  -2.393
  102    H    ALA  14           H        ALA  14  13.137   3.498   0.759
  103    HA   ALA  14           HA       ALA  14  11.163   5.426   0.819
  104   1HB   ALA  14          1HB       ALA  14  14.116   5.790   0.324
  105   2HB   ALA  14          2HB       ALA  14  12.997   7.091   0.731
  106   3HB   ALA  14          3HB       ALA  14  13.294   5.791   1.885
  107    H    VAL  15           H        VAL  15  10.381   6.963  -0.563
  108    HA   VAL  15           HA       VAL  15  11.399   7.319  -3.201
  109    HB   VAL  15           HB       VAL  15  10.295   5.059  -3.216
  110   1HG1  VAL  15          1HG1      VAL  15   7.796   6.724  -2.991
  111   2HG1  VAL  15          2HG1      VAL  15   7.833   5.072  -3.648
  112   3HG1  VAL  15          3HG1      VAL  15   8.323   5.365  -1.986
  113   1HG2  VAL  15          1HG2      VAL  15  10.280   7.162  -5.139
  114   2HG2  VAL  15          2HG2      VAL  15  10.464   5.431  -5.391
  115   3HG2  VAL  15          3HG2      VAL  15   8.851   6.143  -5.348
  116    H    ASP  16           H        ASP  16   8.885   7.860  -4.337
  117    HA   ASP  16           HA       ASP  16   7.535   9.855  -2.854
  118   1HB   ASP  16          1HB       ASP  16   8.812  10.745  -5.371
  119   2HB   ASP  16          2HB       ASP  16   8.191  11.720  -4.050
  120    H    ALA  17           H        ALA  17   5.840  10.754  -4.182
  121    HA   ALA  17           HA       ALA  17   5.229   9.167  -6.558
  122   1HB   ALA  17          1HB       ALA  17   4.312   8.524  -4.116
  123   2HB   ALA  17          2HB       ALA  17   3.033   9.620  -4.696
  124   3HB   ALA  17          3HB       ALA  17   3.458   8.174  -5.637
  125    H    GLN  18           H        GLN  18   2.850  10.006  -7.211
  126    HA   GLN  18           HA       GLN  18   2.758  12.921  -7.027
  127   1HB   GLN  18          1HB       GLN  18   2.332  11.683  -9.714
  128   2HB   GLN  18          2HB       GLN  18   2.787  13.331  -9.306
  129   1HG   GLN  18          1HG       GLN  18   4.733  11.251  -8.576
  130   2HG   GLN  18          2HG       GLN  18   4.465  11.502 -10.296
  131   1HE2  GLN  18          2HE2      GLN  18   6.688  12.209 -10.326
  132   2HE2  GLN  18          1HE2      GLN  18   7.072  13.836  -9.888
  133    H    ASP  19           H        ASP  19   0.730  13.728  -7.003
  134    HA   ASP  19           HA       ASP  19  -1.402  12.216  -6.241
  135   1HB   ASP  19          1HB       ASP  19  -1.980  14.541  -7.994
  136   2HB   ASP  19          2HB       ASP  19  -2.760  14.065  -6.508
  137    H    GLY  20           H        GLY  20  -2.078  10.450  -7.155
  138   1HA   GLY  20          1HA       GLY  20  -3.663   9.732  -8.939
  139   2HA   GLY  20          2HA       GLY  20  -2.544  10.483 -10.066
  140    H    GLN  21           H        GLN  21  -0.719   9.103  -7.633
  141    HA   GLN  21           HA       GLN  21  -0.476   6.587  -9.157
  142   1HB   GLN  21          1HB       GLN  21   1.690   8.159  -7.754
  143   2HB   GLN  21          2HB       GLN  21   1.915   6.567  -8.464
  144   1HG   GLN  21          1HG       GLN  21   1.845   7.360 -10.606
  145   2HG   GLN  21          2HG       GLN  21   0.860   8.752 -10.169
  146   1HE2  GLN  21          2HE2      GLN  21   3.514   8.100  -8.142
  147   2HE2  GLN  21          1HE2      GLN  21   4.554   9.343  -8.718
  148    H    SER  22           H        SER  22  -0.235   4.690  -8.021
  149    HA   SER  22           HA       SER  22  -0.987   4.877  -5.208
  150   1HB   SER  22          1HB       SER  22  -1.183   2.252  -5.654
  151   2HB   SER  22          2HB       SER  22  -2.463   3.362  -6.141
  152    HG   SER  22           HG       SER  22  -1.527   1.758  -7.737
  153    H    LEU  23           H        LEU  23  -0.066   2.780  -3.948
  154    HA   LEU  23           HA       LEU  23   2.791   3.226  -3.867
  155   1HB   LEU  23          1HB       LEU  23   2.442   2.749  -1.722
  156   2HB   LEU  23          2HB       LEU  23   0.800   2.248  -2.068
  157    HG   LEU  23           HG       LEU  23   2.159   0.000  -2.786
  158   1HD1  LEU  23          1HD1      LEU  23   3.929   1.548  -1.058
  159   2HD1  LEU  23          2HD1      LEU  23   3.633  -0.105  -0.522
  160   3HD1  LEU  23          3HD1      LEU  23   4.275   0.194  -2.134
  161   1HD2  LEU  23          1HD2      LEU  23   0.494   0.891  -0.648
  162   2HD2  LEU  23          2HD2      LEU  23   0.650  -0.725  -1.336
  163   3HD2  LEU  23          3HD2      LEU  23   1.706  -0.219  -0.020
  164    H    MET  24           H        MET  24   0.965   1.418  -5.838
  165    HA   MET  24           HA       MET  24   2.687  -0.930  -5.879
  166   1HB   MET  24          1HB       MET  24   0.418  -1.500  -6.208
  167   2HB   MET  24          2HB       MET  24   0.160  -0.171  -7.331
  168   1HG   MET  24          1HG       MET  24   2.170  -2.157  -8.148
  169   2HG   MET  24          2HG       MET  24   0.506  -2.732  -8.073
  170   1HE   MET  24          1HE       MET  24   2.688  -2.448 -10.256
  171   2HE   MET  24          2HE       MET  24   1.997  -1.745 -11.718
  172   3HE   MET  24          3HE       MET  24   2.984  -0.753 -10.643
  173    H    GLU  25           H        GLU  25   1.933   1.945  -7.700
  174    HA   GLU  25           HA       GLU  25   3.708   1.238  -9.855
  175   1HB   GLU  25          1HB       GLU  25   2.479   3.947  -9.378
  176   2HB   GLU  25          2HB       GLU  25   3.047   3.275 -10.901
  177   1HG   GLU  25          1HG       GLU  25   1.233   1.571 -10.734
  178   2HG   GLU  25          2HG       GLU  25   0.619   2.448  -9.334
  179    H    VAL  26           H        VAL  26   3.809   3.460  -7.077
  180    HA   VAL  26           HA       VAL  26   6.168   4.724  -7.802
  181    HB   VAL  26           HB       VAL  26   6.230   3.926  -4.984
  182   1HG1  VAL  26          1HG1      VAL  26   7.439   5.732  -6.345
  183   2HG1  VAL  26          2HG1      VAL  26   5.962   6.660  -6.124
  184   3HG1  VAL  26          3HG1      VAL  26   6.876   6.120  -4.724
  185   1HG2  VAL  26          1HG2      VAL  26   3.798   3.982  -5.354
  186   2HG2  VAL  26          2HG2      VAL  26   4.425   5.190  -4.231
  187   3HG2  VAL  26          3HG2      VAL  26   3.978   5.663  -5.877
  188    H    ALA  27           H        ALA  27   5.715   1.898  -5.800
  189    HA   ALA  27           HA       ALA  27   8.025   0.897  -5.194
  190   1HB   ALA  27          1HB       ALA  27   5.564  -0.266  -5.679
  191   2HB   ALA  27          2HB       ALA  27   6.687  -1.205  -6.662
  192   3HB   ALA  27          3HB       ALA  27   6.956  -1.043  -4.924
  193    H    THR  28           H        THR  28   6.778  -0.231  -8.289
  194    HA   THR  28           HA       THR  28   9.122  -1.220  -9.297
  195    HB   THR  28           HB       THR  28   7.992  -1.562 -11.219
  196    HG1  THR  28           HG1      THR  28   6.897   0.092 -12.332
  197   1HG2  THR  28          1HG2      THR  28   6.225  -1.800  -9.412
  198   2HG2  THR  28          2HG2      THR  28   5.604  -0.251  -9.984
  199   3HG2  THR  28          3HG2      THR  28   5.669  -1.635 -11.077
  200    H    GLN  29           H        GLN  29   8.050   2.083  -9.121
  201    HA   GLN  29           HA       GLN  29  10.153   3.083 -10.822
  202   1HB   GLN  29          1HB       GLN  29   8.224   4.506  -8.990
  203   2HB   GLN  29          2HB       GLN  29   9.387   5.326 -10.021
  204   1HG   GLN  29          1HG       GLN  29   7.392   3.408 -11.160
  205   2HG   GLN  29          2HG       GLN  29   6.970   5.089 -10.836
  206   1HE2  GLN  29          1HE2      GLN  29   8.756   2.918 -12.840
  207   2HE2  GLN  29          2HE2      GLN  29   9.254   4.078 -14.019
  208    H    ASN  30           H        ASN  30   9.651   2.565  -7.423
  209    HA   ASN  30           HA       ASN  30  12.047   4.012  -6.663
  210   1HB   ASN  30          1HB       ASN  30  10.836   2.265  -4.648
  211   2HB   ASN  30          2HB       ASN  30  11.184   3.975  -4.559
  212   1HD2  ASN  30          2HD2      ASN  30   8.804   2.358  -3.809
  213   2HD2  ASN  30          1HD2      ASN  30   7.489   3.071  -4.605
  214    H    GLY  31           H        GLY  31  11.666   1.213  -8.178
  215   1HA   GLY  31          1HA       GLY  31  13.140  -0.547  -8.507
  216   2HA   GLY  31          2HA       GLY  31  14.155   0.116  -7.230
  217    H    VAL  32           H        VAL  32  10.947  -0.141  -6.299
  218    HA   VAL  32           HA       VAL  32  11.466  -2.054  -4.300
  219    HB   VAL  32           HB       VAL  32   8.776  -1.182  -5.246
  220   1HG1  VAL  32          1HG1      VAL  32   8.983  -2.910  -3.434
  221   2HG1  VAL  32          2HG1      VAL  32   9.667  -1.623  -2.434
  222   3HG1  VAL  32          3HG1      VAL  32   8.018  -1.477  -3.057
  223   1HG2  VAL  32          1HG2      VAL  32  10.800   0.380  -3.719
  224   2HG2  VAL  32          2HG2      VAL  32   9.837   0.871  -5.113
  225   3HG2  VAL  32          3HG2      VAL  32   9.071   0.678  -3.533
  226    HA   PRO  33           HA       PRO  33  10.930  -5.980  -6.189
  227   1HB   PRO  33          1HB       PRO  33   9.479  -7.078  -4.031
  228   2HB   PRO  33          2HB       PRO  33  11.227  -7.112  -4.270
  229   1HG   PRO  33          1HG       PRO  33   9.586  -5.273  -2.591
  230   2HG   PRO  33          2HG       PRO  33  11.232  -5.864  -2.332
  231   1HD   PRO  33          1HD       PRO  33  10.744  -3.383  -3.136
  232   2HD   PRO  33          2HD       PRO  33  12.145  -4.290  -3.723
  233    H    GLY  34           H        GLY  34   8.730  -4.049  -6.884
  234   1HA   GLY  34          1HA       GLY  34   6.390  -4.070  -7.246
  235   2HA   GLY  34          2HA       GLY  34   7.053  -5.182  -8.429
  236    H    ILE  35           H        ILE  35   6.241  -5.317  -4.970
  237    HA   ILE  35           HA       ILE  35   5.679  -7.481  -3.976
  238    HB   ILE  35           HB       ILE  35   3.118  -6.153  -4.851
  239   1HG1  ILE  35          1HG1      ILE  35   4.635  -4.451  -3.986
  240   2HG1  ILE  35          2HG1      ILE  35   3.350  -4.761  -2.822
  241   1HG2  ILE  35          1HG2      ILE  35   3.311  -8.433  -3.526
  242   2HG2  ILE  35          2HG2      ILE  35   3.552  -7.341  -2.163
  243   3HG2  ILE  35          3HG2      ILE  35   2.080  -7.234  -3.129
  244   1HD1  ILE  35          1HD1      ILE  35   6.086  -5.992  -2.657
  245   2HD1  ILE  35          2HD1      ILE  35   5.616  -4.504  -1.833
  246   3HD1  ILE  35          3HD1      ILE  35   4.814  -6.023  -1.435
  247    H    VAL  36           H        VAL  36   3.301  -6.979  -6.587
  248    HA   VAL  36           HA       VAL  36   3.945  -9.263  -8.063
  249    HB   VAL  36           HB       VAL  36   3.292 -10.706  -6.352
  250   1HG1  VAL  36          1HG1      VAL  36   2.084  -8.657  -5.180
  251   2HG1  VAL  36          2HG1      VAL  36   0.653  -9.462  -5.822
  252   3HG1  VAL  36          3HG1      VAL  36   1.738 -10.328  -4.734
  253   1HG2  VAL  36          1HG2      VAL  36   2.234 -11.296  -8.464
  254   2HG2  VAL  36          2HG2      VAL  36   1.204 -11.748  -7.106
  255   3HG2  VAL  36          3HG2      VAL  36   0.831 -10.308  -8.054
  256    H    ALA  37           H        ALA  37   0.846  -7.906  -6.886
  257    HA   ALA  37           HA       ALA  37  -0.945  -7.048  -8.005
  258   1HB   ALA  37          1HB       ALA  37   1.437  -5.861  -9.248
  259   2HB   ALA  37          2HB       ALA  37  -0.034  -5.769 -10.217
  260   3HB   ALA  37          3HB       ALA  37  -0.005  -5.090  -8.590
  261    H    GLU  38           H        GLU  38  -2.050  -8.845  -8.683
  262    HA   GLU  38           HA       GLU  38  -1.257 -10.237 -11.094
  263   1HB   GLU  38          1HB       GLU  38  -3.205 -10.674  -8.912
  264   2HB   GLU  38          2HB       GLU  38  -3.668 -11.302 -10.488
  265   1HG   GLU  38          1HG       GLU  38  -0.924 -11.945  -9.776
  266   2HG   GLU  38          2HG       GLU  38  -2.103 -12.577  -8.628
  267    H    CYS  39           H        CYS  39  -4.293  -8.680 -10.042
  268    HA   CYS  39           HA       CYS  39  -5.504  -8.616 -12.550
  269   1HB   CYS  39          1HB       CYS  39  -7.083  -7.102 -11.619
  270   2HB   CYS  39          2HB       CYS  39  -6.592  -8.172 -10.309
  271    H    GLY  40           H        GLY  40  -3.046  -6.573 -11.200
  272   1HA   GLY  40          1HA       GLY  40  -1.749  -4.961 -12.211
  273   2HA   GLY  40          2HA       GLY  40  -2.542  -5.354 -13.728
  274    H    GLY  41           H        GLY  41  -3.834  -4.090 -10.658
  275   1HA   GLY  41          1HA       GLY  41  -4.763  -2.018 -10.193
  276   2HA   GLY  41          2HA       GLY  41  -4.285  -1.480 -11.794
  277    H    SER  42           H        SER  42  -5.907  -4.339 -12.171
  278    HA   SER  42           HA       SER  42  -8.206  -3.030 -13.269
  279   1HB   SER  42          1HB       SER  42  -7.221  -5.838 -13.100
  280   2HB   SER  42          2HB       SER  42  -8.941  -5.589 -13.394
  281    HG   SER  42           HG       SER  42  -8.489  -4.994 -15.353
  282    H    CYS  43           H        CYS  43  -7.409  -3.771 -10.156
  283    HA   CYS  43           HA       CYS  43  -8.556  -4.026  -8.206
  284   1HB   CYS  43          1HB       CYS  43 -10.807  -2.712  -9.739
  285   2HB   CYS  43          2HB       CYS  43 -10.611  -2.754  -7.991
  286    HG   CYS  43           HG       CYS  43  -8.964  -0.905  -8.101
  287    H    VAL  44           H        VAL  44  -8.476  -6.396  -9.010
  288    HA   VAL  44           HA       VAL  44 -11.101  -7.510  -8.524
  289    HB   VAL  44           HB       VAL  44 -10.499  -9.143 -10.573
  290   1HG1  VAL  44          1HG1      VAL  44 -12.034  -6.554 -10.786
  291   2HG1  VAL  44          2HG1      VAL  44 -12.184  -7.929 -11.880
  292   3HG1  VAL  44          3HG1      VAL  44 -12.658  -8.093 -10.189
  293   1HG2  VAL  44          1HG2      VAL  44  -9.305  -6.478 -11.239
  294   2HG2  VAL  44          2HG2      VAL  44  -8.639  -8.091 -11.485
  295   3HG2  VAL  44          3HG2      VAL  44  -9.962  -7.520 -12.500
  296    H    CYS  45           H        CYS  45  -8.227  -7.430  -7.470
  297    HA   CYS  45           HA       CYS  45  -8.135 -10.265  -6.803
  298   1HB   CYS  45          1HB       CYS  45  -6.043 -10.727  -7.595
  299   2HB   CYS  45          2HB       CYS  45  -6.525  -9.534  -8.795
  300    H    ALA  46           H        ALA  46  -6.253 -10.600  -5.124
  301    HA   ALA  46           HA       ALA  46  -6.054  -8.276  -3.351
  302   1HB   ALA  46          1HB       ALA  46  -8.006  -9.599  -2.632
  303   2HB   ALA  46          2HB       ALA  46  -6.952 -10.994  -2.405
  304   3HB   ALA  46          3HB       ALA  46  -6.732  -9.550  -1.414
  305    H    THR  47           H        THR  47  -4.295 -10.143  -5.102
  306    HA   THR  47           HA       THR  47  -2.503 -11.363  -3.225
  307    HB   THR  47           HB       THR  47  -2.887 -12.121  -5.612
  308    HG1  THR  47           HG1      THR  47  -0.153 -11.669  -5.248
  309   1HG2  THR  47          1HG2      THR  47  -1.318  -9.640  -6.150
  310   2HG2  THR  47          2HG2      THR  47  -1.168 -11.050  -7.200
  311   3HG2  THR  47          3HG2      THR  47  -2.737 -10.274  -6.984
  312    H    CYS  48           H        CYS  48  -3.010  -8.206  -4.182
  313    HA   CYS  48           HA       CYS  48  -0.246  -7.339  -3.945
  314   1HB   CYS  48          1HB       CYS  48  -1.195  -5.077  -4.343
  315   2HB   CYS  48          2HB       CYS  48  -1.618  -6.229  -5.604
  316    H    ARG  49           H        ARG  49  -0.772  -8.534  -1.654
  317    HA   ARG  49           HA       ARG  49  -2.011  -6.929   0.323
  318   1HB   ARG  49          1HB       ARG  49  -1.092  -8.481   1.926
  319   2HB   ARG  49          2HB       ARG  49  -1.718  -9.363   0.543
  320   1HG   ARG  49          1HG       ARG  49   0.226 -10.411   0.409
  321   2HG   ARG  49          2HG       ARG  49   0.968  -8.879  -0.052
  322   1HD   ARG  49          1HD       ARG  49   1.855 -10.262   2.006
  323   2HD   ARG  49          2HD       ARG  49   1.813  -8.501   2.042
  324    HE   ARG  49           HE       ARG  49   0.114  -8.590   3.608
  325   1HH1  ARG  49          1HH1      ARG  49   0.812 -11.775   2.386
  326   2HH1  ARG  49          2HH1      ARG  49  -0.110 -12.585   3.608
  327   1HH2  ARG  49          1HH2      ARG  49  -1.105  -9.644   5.216
  328   2HH2  ARG  49          2HH2      ARG  49  -1.202 -11.374   5.218
  329    H    ILE  50           H        ILE  50  -1.115  -4.851   0.123
  330    HA   ILE  50           HA       ILE  50   1.669  -4.597   1.056
  331    HB   ILE  50           HB       ILE  50   0.504  -2.104   0.149
  332   1HG1  ILE  50          1HG1      ILE  50   0.804  -3.006  -2.347
  333   2HG1  ILE  50          2HG1      ILE  50   0.246  -4.502  -1.604
  334   1HG2  ILE  50          1HG2      ILE  50   2.983  -3.299   0.341
  335   2HG2  ILE  50          2HG2      ILE  50   2.704  -3.199  -1.397
  336   3HG2  ILE  50          3HG2      ILE  50   2.635  -1.743  -0.408
  337   1HD1  ILE  50          1HD1      ILE  50  -1.759  -3.353  -0.817
  338   2HD1  ILE  50          2HD1      ILE  50  -1.198  -1.863  -1.575
  339   3HD1  ILE  50          3HD1      ILE  50  -1.596  -3.264  -2.571
  340    H    GLU  51           H        GLU  51   1.973  -2.491   2.419
  341    HA   GLU  51           HA       GLU  51  -0.389  -1.955   4.050
  342   1HB   GLU  51          1HB       GLU  51   1.977  -3.495   4.917
  343   2HB   GLU  51          2HB       GLU  51   1.392  -2.285   6.049
  344   1HG   GLU  51          1HG       GLU  51  -0.849  -3.312   5.928
  345   2HG   GLU  51          2HG       GLU  51  -0.183  -4.567   4.885
  346    H    ILE  52           H        ILE  52  -0.574   0.131   4.387
  347    HA   ILE  52           HA       ILE  52   1.507   2.028   3.904
  348    HB   ILE  52           HB       ILE  52  -1.146   2.334   5.339
  349   1HG1  ILE  52          1HG1      ILE  52  -1.054   1.591   2.849
  350   2HG1  ILE  52          2HG1      ILE  52  -2.139   2.896   3.319
  351   1HG2  ILE  52          1HG2      ILE  52   1.029   4.163   5.036
  352   2HG2  ILE  52          2HG2      ILE  52  -0.375   4.767   4.156
  353   3HG2  ILE  52          3HG2      ILE  52  -0.512   4.384   5.869
  354   1HD1  ILE  52          1HD1      ILE  52   0.595   3.592   2.426
  355   2HD1  ILE  52          2HD1      ILE  52  -0.594   3.095   1.219
  356   3HD1  ILE  52          3HD1      ILE  52  -0.917   4.485   2.258
  357    H    GLU  53           H        GLU  53   2.698   3.287   5.542
  358    HA   GLU  53           HA       GLU  53   3.367   1.764   7.835
  359   1HB   GLU  53          1HB       GLU  53   4.551   3.665   8.663
  360   2HB   GLU  53          2HB       GLU  53   4.692   3.706   6.908
  361   1HG   GLU  53          1HG       GLU  53   3.037   5.376   8.704
  362   2HG   GLU  53          2HG       GLU  53   4.202   5.878   7.506
  363    H    ASP  54           H        ASP  54   3.042   3.036  10.189
  364    HA   ASP  54           HA       ASP  54   0.142   2.951  10.494
  365   1HB   ASP  54          1HB       ASP  54   0.686   2.873  12.968
  366   2HB   ASP  54          2HB       ASP  54   1.267   1.510  12.015
  367    H    ALA  55           H        ALA  55   1.651   5.306   9.479
  368    HA   ALA  55           HA       ALA  55   0.716   7.301  11.426
  369   1HB   ALA  55          1HB       ALA  55   3.235   7.046  10.317
  370   2HB   ALA  55          2HB       ALA  55   2.484   8.311   9.342
  371   3HB   ALA  55          3HB       ALA  55   2.587   8.488  11.096
  372    H    TRP  56           H        TRP  56   0.726   6.192   8.154
  373    HA   TRP  56           HA       TRP  56  -0.945   8.419   7.319
  374   1HB   TRP  56          1HB       TRP  56   0.519   6.355   5.723
  375   2HB   TRP  56          2HB       TRP  56  -0.328   7.743   5.071
  376    HD1  TRP  56           HD1      TRP  56   2.435   7.116   7.686
  377    HE1  TRP  56           HE1      TRP  56   4.162   8.966   7.499
  378    HE3  TRP  56           HE3      TRP  56   0.144   9.895   4.027
  379    HZ2  TRP  56           HZ2      TRP  56   4.510  11.326   6.040
  380    HZ3  TRP  56           HZ3      TRP  56   1.302  11.951   3.296
  381    HH2  TRP  56           HH2      TRP  56   3.418  12.644   4.276
  382    H    VAL  57           H        VAL  57  -1.584   5.427   8.464
  383    HA   VAL  57           HA       VAL  57  -3.355   4.486   6.480
  384    HB   VAL  57           HB       VAL  57  -3.516   4.043   9.454
  385   1HG1  VAL  57          1HG1      VAL  57  -4.672   2.687   7.050
  386   2HG1  VAL  57          2HG1      VAL  57  -4.614   1.924   8.643
  387   3HG1  VAL  57          3HG1      VAL  57  -5.527   3.419   8.404
  388   1HG2  VAL  57          1HG2      VAL  57  -1.350   3.606   8.125
  389   2HG2  VAL  57          2HG2      VAL  57  -1.952   2.374   9.241
  390   3HG2  VAL  57          3HG2      VAL  57  -2.224   2.209   7.504
  391    H    GLU  58           H        GLU  58  -3.550   6.635   9.202
  392    HA   GLU  58           HA       GLU  58  -6.381   7.089   8.883
  393   1HB   GLU  58          1HB       GLU  58  -4.538   8.852  10.483
  394   2HB   GLU  58          2HB       GLU  58  -6.239   8.502  10.766
  395   1HG   GLU  58          1HG       GLU  58  -4.027   6.487  11.076
  396   2HG   GLU  58          2HG       GLU  58  -4.683   7.455  12.395
  397    H    ILE  59           H        ILE  59  -3.689   7.891   7.225
  398    HA   ILE  59           HA       ILE  59  -4.620  10.567   6.408
  399    HB   ILE  59           HB       ILE  59  -2.016   9.120   6.084
  400   1HG1  ILE  59          1HG1      ILE  59  -2.239  11.998   6.691
  401   2HG1  ILE  59          2HG1      ILE  59  -2.807  10.888   7.933
  402   1HG2  ILE  59          1HG2      ILE  59  -3.211  11.009   4.195
  403   2HG2  ILE  59          2HG2      ILE  59  -1.585  11.438   4.727
  404   3HG2  ILE  59          3HG2      ILE  59  -1.882   9.870   3.976
  405   1HD1  ILE  59          1HD1      ILE  59  -0.257  10.087   6.874
  406   2HD1  ILE  59          2HD1      ILE  59  -0.217  11.737   7.496
  407   3HD1  ILE  59          3HD1      ILE  59  -0.743  10.418   8.538
  408    H    VAL  60           H        VAL  60  -3.807   7.365   5.298
  409    HA   VAL  60           HA       VAL  60  -4.650   7.948   2.582
  410    HB   VAL  60           HB       VAL  60  -3.632   5.344   3.719
  411   1HG1  VAL  60          1HG1      VAL  60  -4.643   6.095   1.169
  412   2HG1  VAL  60          2HG1      VAL  60  -2.921   5.749   1.010
  413   3HG1  VAL  60          3HG1      VAL  60  -4.006   4.535   1.689
  414   1HG2  VAL  60          1HG2      VAL  60  -2.219   7.826   3.355
  415   2HG2  VAL  60          2HG2      VAL  60  -1.612   6.268   3.919
  416   3HG2  VAL  60          3HG2      VAL  60  -1.625   6.631   2.197
  417    H    GLY  61           H        GLY  61  -5.243   5.085   4.607
  418   1HA   GLY  61          1HA       GLY  61  -7.136   3.659   4.344
  419   2HA   GLY  61          2HA       GLY  61  -7.678   4.941   5.412
  420    H    GLU  62           H        GLU  62  -7.173   4.728   1.890
  421    HA   GLU  62           HA       GLU  62  -9.572   6.229   1.399
  422   1HB   GLU  62          1HB       GLU  62  -7.423   5.019  -0.277
  423   2HB   GLU  62          2HB       GLU  62  -8.931   5.494  -1.043
  424   1HG   GLU  62          1HG       GLU  62  -7.898   7.572   0.687
  425   2HG   GLU  62          2HG       GLU  62  -6.743   7.109  -0.564
  426    H    ALA  63           H        ALA  63  -8.790   2.947   1.722
  427    HA   ALA  63           HA       ALA  63 -10.643   1.741   0.011
  428   1HB   ALA  63          1HB       ALA  63  -9.254   0.836   2.478
  429   2HB   ALA  63          2HB       ALA  63 -10.612  -0.116   1.862
  430   3HB   ALA  63          3HB       ALA  63  -9.199   0.179   0.842
  431    H    ASN  64           H        ASN  64 -12.670   0.911   0.320
  432    HA   ASN  64           HA       ASN  64 -14.335   2.302   2.218
  433   1HB   ASN  64          1HB       ASN  64 -16.169   1.380   0.832
  434   2HB   ASN  64          2HB       ASN  64 -14.988   2.210  -0.163
  435   1HD2  ASN  64          2HD2      ASN  64 -15.909   0.984  -1.903
  436   2HD2  ASN  64          1HD2      ASN  64 -15.369  -0.633  -2.183
  437    HA   PRO  65           HA       PRO  65 -15.014  -1.251   4.763
  438   1HB   PRO  65          1HB       PRO  65 -17.893  -1.366   4.383
  439   2HB   PRO  65          2HB       PRO  65 -16.984  -0.781   5.776
  440   1HG   PRO  65          1HG       PRO  65 -18.423   0.851   4.126
  441   2HG   PRO  65          2HG       PRO  65 -17.001   1.388   5.039
  442   1HD   PRO  65          1HD       PRO  65 -17.219   0.629   2.149
  443   2HD   PRO  65          2HD       PRO  65 -16.274   1.930   2.896
  444    H    ASP  66           H        ASP  66 -15.206  -1.588   1.578
  445    HA   ASP  66           HA       ASP  66 -16.532  -4.178   1.494
  446   1HB   ASP  66          1HB       ASP  66 -15.155  -2.773  -0.791
  447   2HB   ASP  66          2HB       ASP  66 -16.395  -4.021  -0.874
  448    H    GLU  67           H        GLU  67 -13.411  -2.881   0.362
  449    HA   GLU  67           HA       GLU  67 -12.135  -5.290  -0.085
  450   1HB   GLU  67          1HB       GLU  67 -10.063  -4.083   0.004
  451   2HB   GLU  67          2HB       GLU  67 -11.278  -3.032  -0.712
  452   1HG   GLU  67          1HG       GLU  67 -10.350  -1.555   0.714
  453   2HG   GLU  67          2HG       GLU  67 -11.540  -2.257   1.808
  454    H    ASN  68           H        ASN  68 -12.630  -3.583   2.938
  455    HA   ASN  68           HA       ASN  68 -10.825  -5.201   4.456
  456   1HB   ASN  68          1HB       ASN  68 -11.533  -2.877   5.091
  457   2HB   ASN  68          2HB       ASN  68 -13.120  -3.529   5.490
  458   1HD2  ASN  68          2HD2      ASN  68 -13.399  -3.889   7.552
  459   2HD2  ASN  68          1HD2      ASN  68 -12.182  -4.355   8.686
  460    H    ASP  69           H        ASP  69 -14.224  -5.337   3.642
  461    HA   ASP  69           HA       ASP  69 -14.799  -7.445   5.526
  462   1HB   ASP  69          1HB       ASP  69 -16.591  -5.936   5.027
  463   2HB   ASP  69          2HB       ASP  69 -16.404  -6.194   3.295
  464    H    LEU  70           H        LEU  70 -14.486  -7.176   2.000
  465    HA   LEU  70           HA       LEU  70 -15.053  -9.773   1.275
  466   1HB   LEU  70          1HB       LEU  70 -14.697  -8.014  -0.356
  467   2HB   LEU  70          2HB       LEU  70 -13.006  -7.897   0.093
  468    HG   LEU  70           HG       LEU  70 -14.127 -10.462  -0.993
  469   1HD1  LEU  70          1HD1      LEU  70 -13.591  -7.943  -2.436
  470   2HD1  LEU  70          2HD1      LEU  70 -12.946  -9.418  -3.157
  471   3HD1  LEU  70          3HD1      LEU  70 -14.674  -9.276  -2.836
  472   1HD2  LEU  70          1HD2      LEU  70 -11.604  -9.587  -0.063
  473   2HD2  LEU  70          2HD2      LEU  70 -12.029 -11.144  -0.775
  474   3HD2  LEU  70          3HD2      LEU  70 -11.474  -9.824  -1.806
  475    H    LEU  71           H        LEU  71 -11.838  -8.446   2.063
  476    HA   LEU  71           HA       LEU  71 -10.461 -10.888   1.851
  477   1HB   LEU  71          1HB       LEU  71  -9.903  -8.190   2.832
  478   2HB   LEU  71          2HB       LEU  71  -9.021  -9.437   3.695
  479    HG   LEU  71           HG       LEU  71  -7.578  -8.774   1.973
  480   1HD1  LEU  71          1HD1      LEU  71  -8.243 -11.309   2.171
  481   2HD1  LEU  71          2HD1      LEU  71  -8.854 -11.047   0.538
  482   3HD1  LEU  71          3HD1      LEU  71  -7.154 -10.751   0.901
  483   1HD2  LEU  71          1HD2      LEU  71  -9.728  -7.769   0.725
  484   2HD2  LEU  71          2HD2      LEU  71  -8.172  -8.010  -0.072
  485   3HD2  LEU  71          3HD2      LEU  71  -9.457  -9.204  -0.265
  486    H    GLN  72           H        GLN  72 -11.799  -9.204   4.681
  487    HA   GLN  72           HA       GLN  72 -10.977 -10.962   6.659
  488   1HB   GLN  72          1HB       GLN  72 -13.186  -9.008   6.360
  489   2HB   GLN  72          2HB       GLN  72 -13.377 -10.207   7.632
  490   1HG   GLN  72          1HG       GLN  72 -10.778  -8.802   7.476
  491   2HG   GLN  72          2HG       GLN  72 -12.174  -7.874   8.021
  492   1HE2  GLN  72          2HE2      GLN  72  -9.828 -10.196   8.837
  493   2HE2  GLN  72          1HE2      GLN  72 -10.380 -10.539  10.438
  494    H    SER  73           H        SER  73 -13.620 -11.229   4.377
  495    HA   SER  73           HA       SER  73 -14.942 -13.407   5.633
  496   1HB   SER  73          1HB       SER  73 -15.560 -11.733   3.566
  497   2HB   SER  73          2HB       SER  73 -15.175 -13.222   2.701
  498    HG   SER  73           HG       SER  73 -16.653 -14.239   4.292
  499    H    THR  74           H        THR  74 -11.964 -13.236   4.145
  500    HA   THR  74           HA       THR  74 -12.016 -15.901   2.993
  501    HB   THR  74           HB       THR  74  -9.851 -15.454   2.170
  502    HG1  THR  74           HG1      THR  74  -8.499 -14.560   3.481
  503   1HG2  THR  74          1HG2      THR  74 -11.675 -13.140   2.093
  504   2HG2  THR  74          2HG2      THR  74 -10.003 -12.850   1.616
  505   3HG2  THR  74          3HG2      THR  74 -10.959 -14.073   0.779
  506    H    GLY  75           H        GLY  75 -10.468 -14.221   5.706
  507   1HA   GLY  75          1HA       GLY  75 -10.488 -15.608   7.804
  508   2HA   GLY  75          2HA       GLY  75  -9.761 -16.866   6.815
  509    H    GLU  76           H        GLU  76  -8.574 -13.959   5.765
  510    HA   GLU  76           HA       GLU  76  -6.104 -14.358   7.292
  511   1HB   GLU  76          1HB       GLU  76  -6.630 -12.810   4.750
  512   2HB   GLU  76          2HB       GLU  76  -5.062 -12.946   5.534
  513   1HG   GLU  76          1HG       GLU  76  -4.673 -14.942   4.639
  514   2HG   GLU  76          2HG       GLU  76  -6.285 -15.531   5.043
  515    HA   PRO  77           HA       PRO  77  -7.504 -10.928   9.892
  516   1HB   PRO  77          1HB       PRO  77  -4.620 -11.216  10.627
  517   2HB   PRO  77          2HB       PRO  77  -6.033 -11.033  11.673
  518   1HG   PRO  77          1HG       PRO  77  -4.876 -13.413  11.346
  519   2HG   PRO  77          2HG       PRO  77  -6.638 -13.260  11.475
  520   1HD   PRO  77          1HD       PRO  77  -4.952 -13.814   9.090
  521   2HD   PRO  77          2HD       PRO  77  -6.611 -14.331   9.448
  522    H    MET  78           H        MET  78  -6.857  -8.699  10.135
  523    HA   MET  78           HA       MET  78  -5.097  -7.762   7.967
  524   1HB   MET  78          1HB       MET  78  -7.174  -5.894   8.886
  525   2HB   MET  78          2HB       MET  78  -6.629  -6.262   7.255
  526   1HG   MET  78          1HG       MET  78  -8.727  -7.095   7.126
  527   2HG   MET  78          2HG       MET  78  -7.905  -8.529   7.737
  528   1HE   MET  78          1HE       MET  78  -9.121  -5.231   8.801
  529   2HE   MET  78          2HE       MET  78 -10.709  -5.619   9.460
  530   3HE   MET  78          3HE       MET  78  -9.327  -5.441  10.541
  531    H    THR  79           H        THR  79  -4.521  -5.342   8.382
  532    HA   THR  79           HA       THR  79  -4.049  -4.800  11.210
  533    HB   THR  79           HB       THR  79  -1.625  -4.102  10.311
  534    HG1  THR  79           HG1      THR  79  -1.979  -6.502   8.912
  535   1HG2  THR  79          1HG2      THR  79  -2.402  -5.883  12.094
  536   2HG2  THR  79          2HG2      THR  79  -1.880  -7.004  10.838
  537   3HG2  THR  79          3HG2      THR  79  -0.746  -5.824  11.493
  538    H    ALA  80           H        ALA  80  -4.281  -2.693  11.679
  539    HA   ALA  80           HA       ALA  80  -5.474  -0.843  10.173
  540   1HB   ALA  80          1HB       ALA  80  -3.439  -0.549  12.330
  541   2HB   ALA  80          2HB       ALA  80  -4.001   0.889  11.476
  542   3HB   ALA  80          3HB       ALA  80  -5.155  -0.136  12.331
  543    H    GLY  81           H        GLY  81  -5.048  -0.504   8.061
  544   1HA   GLY  81          1HA       GLY  81  -3.753   1.119   6.708
  545   2HA   GLY  81          2HA       GLY  81  -2.313   0.381   7.384
  546    H    THR  82           H        THR  82  -3.613  -2.335   7.121
  547    HA   THR  82           HA       THR  82  -2.538  -2.995   4.594
  548    HB   THR  82           HB       THR  82  -4.517  -4.829   5.828
  549    HG1  THR  82           HG1      THR  82  -2.041  -4.596   7.100
  550   1HG2  THR  82          1HG2      THR  82  -2.533  -5.180   4.020
  551   2HG2  THR  82          2HG2      THR  82  -1.731  -5.654   5.517
  552   3HG2  THR  82          3HG2      THR  82  -3.222  -6.456   5.022
  553    H    ARG  83           H        ARG  83  -3.398  -2.629   2.662
  554    HA   ARG  83           HA       ARG  83  -6.119  -3.271   2.060
  555   1HB   ARG  83          1HB       ARG  83  -6.613  -0.893   1.227
  556   2HB   ARG  83          2HB       ARG  83  -6.719  -1.187   2.958
  557   1HG   ARG  83          1HG       ARG  83  -4.665  -0.104   3.369
  558   2HG   ARG  83          2HG       ARG  83  -4.246  -0.090   1.657
  559   1HD   ARG  83          1HD       ARG  83  -6.081   1.667   3.186
  560   2HD   ARG  83          2HD       ARG  83  -4.956   2.064   1.890
  561    HE   ARG  83           HE       ARG  83  -7.707   1.501   1.612
  562   1HH1  ARG  83          1HH1      ARG  83  -4.647   0.910   0.070
  563   2HH1  ARG  83          2HH1      ARG  83  -5.328   0.789  -1.516
  564   1HH2  ARG  83          1HH2      ARG  83  -8.612   1.349  -0.475
  565   2HH2  ARG  83          2HH2      ARG  83  -7.578   1.036  -1.829
  566    H    LEU  84           H        LEU  84  -6.633  -2.479  -0.281
  567    HA   LEU  84           HA       LEU  84  -4.446  -3.375  -1.934
  568   1HB   LEU  84          1HB       LEU  84  -7.019  -2.277  -3.007
  569   2HB   LEU  84          2HB       LEU  84  -5.998  -3.542  -3.667
  570    HG   LEU  84           HG       LEU  84  -7.409  -3.987  -1.063
  571   1HD1  LEU  84          1HD1      LEU  84  -8.692  -3.502  -3.596
  572   2HD1  LEU  84          2HD1      LEU  84  -8.984  -5.150  -3.042
  573   3HD1  LEU  84          3HD1      LEU  84  -9.405  -3.784  -2.009
  574   1HD2  LEU  84          1HD2      LEU  84  -5.627  -5.516  -2.101
  575   2HD2  LEU  84          2HD2      LEU  84  -7.134  -6.250  -1.554
  576   3HD2  LEU  84          3HD2      LEU  84  -6.875  -5.944  -3.272
  577    H    SER  85           H        SER  85  -3.029  -1.559  -1.383
  578    HA   SER  85           HA       SER  85  -3.573   1.111  -1.983
  579   1HB   SER  85          1HB       SER  85  -0.812  -0.017  -2.308
  580   2HB   SER  85          2HB       SER  85  -1.312   1.529  -1.621
  581    HG   SER  85           HG       SER  85  -1.964   0.504   0.218
  582    H    CYS  86           H        CYS  86  -2.771  -1.522  -4.113
  583    HA   CYS  86           HA       CYS  86  -1.637  -0.185  -6.246
  584   1HB   CYS  86          1HB       CYS  86  -2.213  -1.994  -7.613
  585   2HB   CYS  86          2HB       CYS  86  -2.109  -2.697  -6.002
  586    H    GLN  87           H        GLN  87  -4.877   0.029  -5.067
  587    HA   GLN  87           HA       GLN  87  -5.673   1.467  -7.504
  588   1HB   GLN  87          1HB       GLN  87  -7.946   1.224  -5.921
  589   2HB   GLN  87          2HB       GLN  87  -7.542   0.262  -7.335
  590   1HG   GLN  87          1HG       GLN  87  -6.378  -1.343  -5.843
  591   2HG   GLN  87          2HG       GLN  87  -6.964  -0.410  -4.466
  592   1HE2  GLN  87          2HE2      GLN  87  -9.460   0.127  -4.871
  593   2HE2  GLN  87          1HE2      GLN  87 -10.416  -1.284  -5.151
  594    H    VAL  88           H        VAL  88  -4.423   2.116  -4.521
  595    HA   VAL  88           HA       VAL  88  -6.030   4.510  -4.068
  596    HB   VAL  88           HB       VAL  88  -3.906   3.097  -2.480
  597   1HG1  VAL  88          1HG1      VAL  88  -3.390   5.512  -2.479
  598   2HG1  VAL  88          2HG1      VAL  88  -5.002   5.826  -1.837
  599   3HG1  VAL  88          3HG1      VAL  88  -3.841   4.899  -0.887
  600   1HG2  VAL  88          1HG2      VAL  88  -6.729   3.955  -1.871
  601   2HG2  VAL  88          2HG2      VAL  88  -6.169   2.315  -2.203
  602   3HG2  VAL  88          3HG2      VAL  88  -5.647   3.145  -0.737
  603    H    PHE  89           H        PHE  89  -5.469   6.262  -5.208
  604    HA   PHE  89           HA       PHE  89  -2.666   6.537  -6.005
  605   1HB   PHE  89          1HB       PHE  89  -5.114   7.882  -7.114
  606   2HB   PHE  89          2HB       PHE  89  -3.489   7.996  -7.771
  607    HD1  PHE  89           HD1      PHE  89  -3.264   4.902  -6.765
  608    HD2  PHE  89           HD2      PHE  89  -5.642   7.115  -9.517
  609    HE1  PHE  89           HE1      PHE  89  -3.680   2.840  -8.050
  610    HE2  PHE  89           HE2      PHE  89  -6.057   5.061 -10.823
  611    HZ   PHE  89           HZ       PHE  89  -5.074   2.917 -10.090
  612    H    ILE  90           H        ILE  90  -1.438   8.162  -5.540
  613    HA   ILE  90           HA       ILE  90  -1.590   9.683  -3.328
  614    HB   ILE  90           HB       ILE  90  -0.206  10.154  -5.954
  615   1HG1  ILE  90          1HG1      ILE  90   0.166   8.226  -4.120
  616   2HG1  ILE  90          2HG1      ILE  90   1.463   8.876  -5.117
  617   1HG2  ILE  90          1HG2      ILE  90  -0.007  11.741  -3.427
  618   2HG2  ILE  90          2HG2      ILE  90   1.364  11.562  -4.520
  619   3HG2  ILE  90          3HG2      ILE  90  -0.124  12.311  -5.088
  620   1HD1  ILE  90          1HD1      ILE  90   1.970  10.490  -3.272
  621   2HD1  ILE  90          2HD1      ILE  90   0.779   9.622  -2.292
  622   3HD1  ILE  90          3HD1      ILE  90   2.221   8.786  -2.865
  623    H    ASP  91           H        ASP  91  -1.791  11.980  -3.015
  624    HA   ASP  91           HA       ASP  91  -3.020  13.787  -4.733
  625   1HB   ASP  91          1HB       ASP  91  -5.267  13.577  -4.305
  626   2HB   ASP  91          2HB       ASP  91  -4.846  11.937  -3.838
  627    HA   PRO  92           HA       PRO  92  -1.456  16.391  -1.496
  628   1HB   PRO  92          1HB       PRO  92  -3.957  17.976  -1.390
  629   2HB   PRO  92          2HB       PRO  92  -2.320  18.488  -1.814
  630   1HG   PRO  92          1HG       PRO  92  -4.196  18.254  -3.697
  631   2HG   PRO  92          2HG       PRO  92  -2.520  17.765  -4.017
  632   1HD   PRO  92          1HD       PRO  92  -4.889  16.056  -3.328
  633   2HD   PRO  92          2HD       PRO  92  -3.645  15.789  -4.570
  634    H    SER  93           H        SER  93  -2.726  14.065  -0.623
  635    HA   SER  93           HA       SER  93  -3.623  14.808   2.058
  636   1HB   SER  93          1HB       SER  93  -5.559  13.620   1.884
  637   2HB   SER  93          2HB       SER  93  -5.319  13.807   0.138
  638    HG   SER  93           HG       SER  93  -5.521  11.576   1.374
  639    H    MET  94           H        MET  94  -2.093  12.567  -0.129
  640    HA   MET  94           HA       MET  94  -0.872  11.084   2.073
  641   1HB   MET  94          1HB       MET  94  -1.698  10.243  -0.709
  642   2HB   MET  94          2HB       MET  94  -0.679   9.256   0.321
  643   1HG   MET  94          1HG       MET  94  -2.402   8.597   1.603
  644   2HG   MET  94          2HG       MET  94  -3.173  10.179   1.553
  645   1HE   MET  94          1HE       MET  94  -1.874   8.008  -1.229
  646   2HE   MET  94          2HE       MET  94  -2.860   6.683  -0.610
  647   3HE   MET  94          3HE       MET  94  -3.294   7.471  -2.127
  648    H    ASP  95           H        ASP  95   0.267  13.450   1.285
  649    HA   ASP  95           HA       ASP  95   2.266  12.905  -0.665
  650   1HB   ASP  95          1HB       ASP  95   2.429  15.426   0.831
  651   2HB   ASP  95          2HB       ASP  95   2.434  15.182  -0.902
  652    H    GLY  96           H        GLY  96   4.254  12.196  -0.140
  653   1HA   GLY  96          1HA       GLY  96   6.148  11.835   1.190
  654   2HA   GLY  96          2HA       GLY  96   5.422  12.868   2.419
  655    H    LEU  97           H        LEU  97   3.643  10.327   0.914
  656    HA   LEU  97           HA       LEU  97   2.954   9.173   3.394
  657   1HB   LEU  97          1HB       LEU  97   1.334   8.099   2.269
  658   2HB   LEU  97          2HB       LEU  97   1.729   9.281   1.039
  659    HG   LEU  97           HG       LEU  97   3.435   7.099   0.558
  660   1HD1  LEU  97          1HD1      LEU  97   1.914   5.811   2.051
  661   2HD1  LEU  97          2HD1      LEU  97   0.600   6.162   0.929
  662   3HD1  LEU  97          3HD1      LEU  97   1.986   5.210   0.395
  663   1HD2  LEU  97          1HD2      LEU  97   2.298   8.705  -1.018
  664   2HD2  LEU  97          2HD2      LEU  97   2.328   7.017  -1.528
  665   3HD2  LEU  97          3HD2      LEU  97   0.852   7.710  -0.854
  666    H    ILE  98           H        ILE  98   3.320   7.152   4.194
  667    HA   ILE  98           HA       ILE  98   5.816   5.961   3.261
  668    HB   ILE  98           HB       ILE  98   4.640   5.856   5.976
  669   1HG1  ILE  98          1HG1      ILE  98   6.580   7.223   6.622
  670   2HG1  ILE  98          2HG1      ILE  98   7.066   7.286   4.926
  671   1HG2  ILE  98          1HG2      ILE  98   5.850   3.802   5.402
  672   2HG2  ILE  98          2HG2      ILE  98   7.276   4.779   5.052
  673   3HG2  ILE  98          3HG2      ILE  98   6.631   4.718   6.692
  674   1HD1  ILE  98          1HD1      ILE  98   4.315   8.061   5.394
  675   2HD1  ILE  98          2HD1      ILE  98   5.491   9.113   6.185
  676   3HD1  ILE  98          3HD1      ILE  98   5.569   8.849   4.442
  677    H    VAL  99           H        VAL  99   5.917   3.852   2.710
  678    HA   VAL  99           HA       VAL  99   3.526   2.282   3.236
  679    HB   VAL  99           HB       VAL  99   4.914   1.539   0.821
  680   1HG1  VAL  99          1HG1      VAL  99   2.215   1.743   1.981
  681   2HG1  VAL  99          2HG1      VAL  99   2.346   1.766   0.218
  682   3HG1  VAL  99          3HG1      VAL  99   2.996   0.404   1.134
  683   1HG2  VAL  99          1HG2      VAL  99   3.528   4.202   1.061
  684   2HG2  VAL  99          2HG2      VAL  99   5.147   3.880   0.442
  685   3HG2  VAL  99          3HG2      VAL  99   3.734   3.361  -0.477
  686    H    ARG 100           H        ARG 100   3.772   0.004   3.483
  687    HA   ARG 100           HA       ARG 100   6.517  -0.977   3.602
  688   1HB   ARG 100          1HB       ARG 100   4.727  -1.527   5.940
  689   2HB   ARG 100          2HB       ARG 100   6.480  -1.624   5.841
  690   1HG   ARG 100          1HG       ARG 100   6.274   0.969   5.448
  691   2HG   ARG 100          2HG       ARG 100   4.729   0.740   6.270
  692   1HD   ARG 100          1HD       ARG 100   5.834  -0.226   8.178
  693   2HD   ARG 100          2HD       ARG 100   7.389  -0.185   7.347
  694    HE   ARG 100           HE       ARG 100   6.242   2.409   7.523
  695   1HH1  ARG 100          1HH1      ARG 100   7.941  -0.010   9.364
  696   2HH1  ARG 100          2HH1      ARG 100   8.638   1.131  10.465
  697   1HH2  ARG 100          1HH2      ARG 100   7.153   3.920   8.966
  698   2HH2  ARG 100          2HH2      ARG 100   8.188   3.367  10.240
  699    H    VAL 101           H        VAL 101   6.644  -3.324   3.984
  700    HA   VAL 101           HA       VAL 101   4.248  -4.788   3.110
  701    HB   VAL 101           HB       VAL 101   6.981  -5.474   2.062
  702   1HG1  VAL 101          1HG1      VAL 101   4.172  -6.182   1.260
  703   2HG1  VAL 101          2HG1      VAL 101   5.597  -6.570   0.294
  704   3HG1  VAL 101          3HG1      VAL 101   5.414  -7.252   1.910
  705   1HG2  VAL 101          1HG2      VAL 101   5.648  -3.125   1.440
  706   2HG2  VAL 101          2HG2      VAL 101   6.939  -3.883   0.507
  707   3HG2  VAL 101          3HG2      VAL 101   5.251  -4.217   0.114
  708    HA   PRO 102           HA       PRO 102   6.531  -6.869   6.602
  709   1HB   PRO 102          1HB       PRO 102   5.026  -6.171   8.687
  710   2HB   PRO 102          2HB       PRO 102   6.233  -5.061   8.025
  711   1HG   PRO 102          1HG       PRO 102   3.268  -5.078   7.667
  712   2HG   PRO 102          2HG       PRO 102   4.366  -3.700   7.867
  713   1HD   PRO 102          1HD       PRO 102   3.363  -4.638   5.433
  714   2HD   PRO 102          2HD       PRO 102   4.770  -3.579   5.623
  715    H    LEU 103           H        LEU 103   5.526  -8.377   8.324
  716    HA   LEU 103           HA       LEU 103   2.956  -9.513   7.600
  717   1HB   LEU 103          1HB       LEU 103   5.578 -10.899   7.142
  718   2HB   LEU 103          2HB       LEU 103   4.149 -11.834   7.533
  719    HG   LEU 103           HG       LEU 103   4.317  -9.942   5.188
  720   1HD1  LEU 103          1HD1      LEU 103   5.197 -12.738   5.511
  721   2HD1  LEU 103          2HD1      LEU 103   4.254 -12.377   4.064
  722   3HD1  LEU 103          3HD1      LEU 103   5.745 -11.493   4.390
  723   1HD2  LEU 103          1HD2      LEU 103   2.219 -11.639   6.353
  724   2HD2  LEU 103          2HD2      LEU 103   2.088 -10.208   5.332
  725   3HD2  LEU 103          3HD2      LEU 103   2.415 -11.781   4.608
  726    HA   PRO 104           HA       PRO 104   2.888 -10.555  11.884
  727   1HB   PRO 104          1HB       PRO 104   1.504 -12.876  11.965
  728   2HB   PRO 104          2HB       PRO 104   0.748 -11.335  11.541
  729   1HG   PRO 104          1HG       PRO 104   1.686 -13.543   9.754
  730   2HG   PRO 104          2HG       PRO 104   0.206 -12.572   9.653
  731   1HD   PRO 104          1HD       PRO 104   2.419 -12.112   8.128
  732   2HD   PRO 104          2HD       PRO 104   1.271 -10.841   8.589
  733    H    ALA 105           H        ALA 105   5.072 -10.910  12.363
  734    HA   ALA 105           HA       ALA 105   5.885 -13.743  12.428
  735   1HB   ALA 105          1HB       ALA 105   7.535 -11.298  11.849
  736   2HB   ALA 105          2HB       ALA 105   8.252 -12.842  12.309
  737   3HB   ALA 105          3HB       ALA 105   7.291 -12.718  10.834
  Start of MODEL    7
    1   2H    PRO   1          2H        PRO   1   4.442  14.917  -5.733
    2   1H    PRO   1          1H        PRO   1   5.159  13.443  -5.906
    3    HA   PRO   1           HA       PRO   1   4.986  15.011  -3.731
    4   1HB   PRO   1          1HB       PRO   1   3.919  12.348  -2.992
    5   2HB   PRO   1          2HB       PRO   1   3.632  13.911  -2.262
    6   1HG   PRO   1          1HG       PRO   1   1.762  12.917  -3.714
    7   2HG   PRO   1          2HG       PRO   1   2.220  14.607  -3.988
    8   1HD   PRO   1          1HD       PRO   1   3.177  12.168  -5.485
    9   2HD   PRO   1          2HD       PRO   1   2.394  13.602  -6.150
   10    H    ARG   2           H        ARG   2   5.655  13.290  -1.823
   11    HA   ARG   2           HA       ARG   2   8.035  11.864  -2.878
   12   1HB   ARG   2          1HB       ARG   2   8.912  13.668  -1.621
   13   2HB   ARG   2          2HB       ARG   2   7.667  13.523  -0.389
   14   1HG   ARG   2          1HG       ARG   2   8.665  11.607   0.544
   15   2HG   ARG   2          2HG       ARG   2   9.722  11.386  -0.854
   16   1HD   ARG   2          1HD       ARG   2  11.280  12.624   0.121
   17   2HD   ARG   2          2HD       ARG   2  10.166  13.989   0.176
   18    HE   ARG   2           HE       ARG   2   9.382  12.663   2.321
   19   1HH1  ARG   2          1HH1      ARG   2  12.616  13.325   1.201
   20   2HH1  ARG   2          2HH1      ARG   2  13.295  13.369   2.793
   21   1HH2  ARG   2          1HH2      ARG   2  10.268  12.721   4.419
   22   2HH2  ARG   2          2HH2      ARG   2  11.961  13.028   4.622
   23    H    VAL   3           H        VAL   3   8.641   9.904  -1.407
   24    HA   VAL   3           HA       VAL   3   6.490   9.059   0.290
   25    HB   VAL   3           HB       VAL   3   6.614   8.259  -2.513
   26   1HG1  VAL   3          1HG1      VAL   3   7.313   6.183  -1.048
   27   2HG1  VAL   3          2HG1      VAL   3   5.577   6.139  -0.759
   28   3HG1  VAL   3          3HG1      VAL   3   6.201   6.084  -2.414
   29   1HG2  VAL   3          1HG2      VAL   3   4.645   8.499  -0.331
   30   2HG2  VAL   3          2HG2      VAL   3   4.686   9.281  -1.919
   31   3HG2  VAL   3          3HG2      VAL   3   4.263   7.572  -1.788
   32    H    VAL   4           H        VAL   4   6.783   6.883   1.137
   33    HA   VAL   4           HA       VAL   4   9.457   5.842   0.904
   34    HB   VAL   4           HB       VAL   4   8.530   7.127   3.441
   35   1HG1  VAL   4          1HG1      VAL   4   9.981   4.605   3.156
   36   2HG1  VAL   4          2HG1      VAL   4  10.854   5.812   4.107
   37   3HG1  VAL   4          3HG1      VAL   4   9.229   5.321   4.586
   38   1HG2  VAL   4          1HG2      VAL   4  10.732   7.356   1.502
   39   2HG2  VAL   4          2HG2      VAL   4   9.944   8.603   2.473
   40   3HG2  VAL   4          3HG2      VAL   4  11.174   7.565   3.197
   41    H    PHE   5           H        PHE   5   9.110   3.909   0.475
   42    HA   PHE   5           HA       PHE   5   6.899   2.359   1.611
   43   1HB   PHE   5          1HB       PHE   5   9.024   1.833  -0.449
   44   2HB   PHE   5          2HB       PHE   5   7.947   0.578   0.124
   45    HD1  PHE   5           HD1      PHE   5   6.759   4.064  -0.515
   46    HD2  PHE   5           HD2      PHE   5   7.095   0.078  -1.970
   47    HE1  PHE   5           HE1      PHE   5   5.229   4.589  -2.352
   48    HE2  PHE   5           HE2      PHE   5   5.560   0.582  -3.766
   49    HZ   PHE   5           HZ       PHE   5   4.596   2.837  -3.972
   50    H    ILE   6           H        ILE   6   7.583   0.049   2.206
   51    HA   ILE   6           HA       ILE   6  10.200  -0.343   3.287
   52    HB   ILE   6           HB       ILE   6   7.772  -0.220   5.028
   53   1HG1  ILE   6          1HG1      ILE   6   9.706   1.305   6.164
   54   2HG1  ILE   6          2HG1      ILE   6  10.025   1.570   4.472
   55   1HG2  ILE   6          1HG2      ILE   6  10.539  -1.212   5.552
   56   2HG2  ILE   6          2HG2      ILE   6   9.393  -0.812   6.833
   57   3HG2  ILE   6          3HG2      ILE   6   9.021  -2.095   5.680
   58   1HD1  ILE   6          1HD1      ILE   6   7.230   1.835   5.381
   59   2HD1  ILE   6          2HD1      ILE   6   8.372   3.083   5.877
   60   3HD1  ILE   6          3HD1      ILE   6   8.123   2.746   4.164
   61    H    ASP   7           H        ASP   7  10.392  -2.582   4.180
   62    HA   ASP   7           HA       ASP   7   8.300  -4.454   3.866
   63   1HB   ASP   7          1HB       ASP   7   9.068  -3.700   1.478
   64   2HB   ASP   7          2HB       ASP   7  10.378  -4.847   1.760
   65    H    GLU   8           H        GLU   8   9.696  -6.756   3.286
   66    HA   GLU   8           HA       GLU   8  11.455  -6.917   5.618
   67   1HB   GLU   8          1HB       GLU   8  10.407  -8.831   6.063
   68   2HB   GLU   8          2HB       GLU   8   9.358  -8.533   4.691
   69   1HG   GLU   8          1HG       GLU   8  10.158 -10.677   4.324
   70   2HG   GLU   8          2HG       GLU   8  11.175  -9.674   3.292
   71    H    GLN   9           H        GLN   9  11.644  -6.793   2.254
   72    HA   GLN   9           HA       GLN   9  14.062  -8.401   2.070
   73   1HB   GLN   9          1HB       GLN   9  12.214  -7.109   0.136
   74   2HB   GLN   9          2HB       GLN   9  13.886  -7.309  -0.369
   75   1HG   GLN   9          1HG       GLN   9  12.177  -9.555   0.666
   76   2HG   GLN   9          2HG       GLN   9  12.344  -9.150  -1.041
   77   1HE2  GLN   9          2HE2      GLN   9  14.799  -8.822  -1.616
   78   2HE2  GLN   9          1HE2      GLN   9  15.818 -10.128  -1.127
   79    H    SER  10           H        SER  10  13.553  -5.529   3.326
   80    HA   SER  10           HA       SER  10  16.224  -4.641   3.025
   81   1HB   SER  10          1HB       SER  10  16.050  -3.428   1.146
   82   2HB   SER  10          2HB       SER  10  14.302  -3.651   1.092
   83    HG   SER  10           HG       SER  10  15.690  -1.475   1.793
   84    H    GLY  11           H        GLY  11  12.923  -3.994   4.000
   85   1HA   GLY  11          1HA       GLY  11  12.182  -3.220   6.052
   86   2HA   GLY  11          2HA       GLY  11  13.848  -2.912   6.505
   87    H    GLU  12           H        GLU  12  12.847  -1.690   3.510
   88    HA   GLU  12           HA       GLU  12  11.571   0.664   4.018
   89   1HB   GLU  12          1HB       GLU  12  13.212   1.465   5.499
   90   2HB   GLU  12          2HB       GLU  12  14.531   0.919   4.470
   91   1HG   GLU  12          1HG       GLU  12  14.026   2.605   2.836
   92   2HG   GLU  12          2HG       GLU  12  12.587   3.092   3.728
   93    H    TYR  13           H        TYR  13  11.246   1.812   2.226
   94    HA   TYR  13           HA       TYR  13  12.952   1.419  -0.091
   95   1HB   TYR  13          1HB       TYR  13  10.095   0.558   0.142
   96   2HB   TYR  13          2HB       TYR  13  10.813   0.925  -1.425
   97    HD1  TYR  13           HD1      TYR  13  11.172  -1.191   1.587
   98    HD2  TYR  13           HD2      TYR  13  12.128  -0.662  -2.512
   99    HE1  TYR  13           HE1      TYR  13  12.115  -3.472   1.528
  100    HE2  TYR  13           HE2      TYR  13  13.058  -2.917  -2.611
  101    HH   TYR  13           HH       TYR  13  12.487  -5.251  -0.623
  102    H    ALA  14           H        ALA  14  13.074   3.693   1.046
  103    HA   ALA  14           HA       ALA  14  11.195   5.670   0.827
  104   1HB   ALA  14          1HB       ALA  14  14.114   5.582   0.906
  105   2HB   ALA  14          2HB       ALA  14  13.463   7.017   0.111
  106   3HB   ALA  14          3HB       ALA  14  12.986   6.632   1.766
  107    H    VAL  15           H        VAL  15  10.442   7.044  -0.720
  108    HA   VAL  15           HA       VAL  15  11.506   7.143  -3.358
  109    HB   VAL  15           HB       VAL  15  10.363   4.901  -3.189
  110   1HG1  VAL  15          1HG1      VAL  15   7.897   6.627  -3.169
  111   2HG1  VAL  15          2HG1      VAL  15   7.911   4.926  -3.692
  112   3HG1  VAL  15          3HG1      VAL  15   8.371   5.345  -2.046
  113   1HG2  VAL  15          1HG2      VAL  15  10.437   6.814  -5.301
  114   2HG2  VAL  15          2HG2      VAL  15  10.580   5.065  -5.386
  115   3HG2  VAL  15          3HG2      VAL  15   8.986   5.814  -5.446
  116    H    ASP  16           H        ASP  16   9.061   7.656  -4.614
  117    HA   ASP  16           HA       ASP  16   7.735   9.801  -3.294
  118   1HB   ASP  16          1HB       ASP  16   9.048  10.412  -5.876
  119   2HB   ASP  16          2HB       ASP  16   8.436  11.530  -4.667
  120    H    ALA  17           H        ALA  17   6.039  10.609  -4.649
  121    HA   ALA  17           HA       ALA  17   5.378   8.874  -6.906
  122   1HB   ALA  17          1HB       ALA  17   4.465   8.458  -4.410
  123   2HB   ALA  17          2HB       ALA  17   3.197   9.513  -5.094
  124   3HB   ALA  17          3HB       ALA  17   3.609   7.985  -5.893
  125    H    GLN  18           H        GLN  18   3.030   9.714  -7.648
  126    HA   GLN  18           HA       GLN  18   3.009  12.641  -7.694
  127   1HB   GLN  18          1HB       GLN  18   2.568  11.218 -10.281
  128   2HB   GLN  18          2HB       GLN  18   3.130  12.857  -9.989
  129   1HG   GLN  18          1HG       GLN  18   5.292  12.000  -9.271
  130   2HG   GLN  18          2HG       GLN  18   4.733  10.352  -9.540
  131   1HE2  GLN  18          2HE2      GLN  18   3.348  10.710 -11.918
  132   2HE2  GLN  18          1HE2      GLN  18   4.475  11.090 -13.170
  133    H    ASP  19           H        ASP  19   1.010  13.420  -7.414
  134    HA   ASP  19           HA       ASP  19  -1.171  12.075  -6.677
  135   1HB   ASP  19          1HB       ASP  19  -1.411  14.433  -8.521
  136   2HB   ASP  19          2HB       ASP  19  -2.550  13.931  -7.285
  137    H    GLY  20           H        GLY  20  -2.112  10.381  -7.428
  138   1HA   GLY  20          1HA       GLY  20  -3.763   9.673  -9.139
  139   2HA   GLY  20          2HA       GLY  20  -2.588  10.203 -10.334
  140    H    GLN  21           H        GLN  21  -0.768   8.917  -7.911
  141    HA   GLN  21           HA       GLN  21  -0.926   6.215  -9.086
  142   1HB   GLN  21          1HB       GLN  21   1.584   7.565  -8.088
  143   2HB   GLN  21          2HB       GLN  21   1.470   6.000  -8.881
  144   1HG   GLN  21          1HG       GLN  21   1.247   6.907 -10.952
  145   2HG   GLN  21          2HG       GLN  21   0.452   8.355 -10.347
  146   1HE2  GLN  21          2HE2      GLN  21   3.303   7.350  -8.763
  147   2HE2  GLN  21          1HE2      GLN  21   4.359   8.541  -9.417
  148    H    SER  22           H        SER  22  -0.598   4.473  -7.726
  149    HA   SER  22           HA       SER  22  -1.109   5.073  -4.921
  150   1HB   SER  22          1HB       SER  22  -2.074   2.966  -4.749
  151   2HB   SER  22          2HB       SER  22  -2.422   3.375  -6.427
  152    HG   SER  22           HG       SER  22  -1.157   1.819  -7.062
  153    H    LEU  23           H        LEU  23  -0.172   3.037  -3.525
  154    HA   LEU  23           HA       LEU  23   2.715   3.426  -3.644
  155   1HB   LEU  23          1HB       LEU  23   0.950   1.984  -1.660
  156   2HB   LEU  23          2HB       LEU  23   2.692   2.113  -1.514
  157    HG   LEU  23           HG       LEU  23   1.929   3.789  -0.108
  158   1HD1  LEU  23          1HD1      LEU  23   3.365   4.505  -2.280
  159   2HD1  LEU  23          2HD1      LEU  23   2.000   5.614  -2.412
  160   3HD1  LEU  23          3HD1      LEU  23   2.981   5.592  -0.947
  161   1HD2  LEU  23          1HD2      LEU  23  -0.443   3.544  -1.374
  162   2HD2  LEU  23          2HD2      LEU  23  -0.063   4.828  -0.226
  163   3HD2  LEU  23          3HD2      LEU  23   0.075   5.126  -1.959
  164    H    MET  24           H        MET  24   0.884   1.595  -5.403
  165    HA   MET  24           HA       MET  24   2.386  -0.897  -5.065
  166   1HB   MET  24          1HB       MET  24   0.653  -2.017  -6.076
  167   2HB   MET  24          2HB       MET  24  -0.237  -0.677  -5.369
  168   1HG   MET  24          1HG       MET  24  -1.082  -0.379  -7.401
  169   2HG   MET  24          2HG       MET  24   0.481   0.325  -7.810
  170   1HE   MET  24          1HE       MET  24   1.815  -0.187  -9.303
  171   2HE   MET  24          2HE       MET  24   2.524  -1.801  -9.369
  172   3HE   MET  24          3HE       MET  24   1.452  -1.256 -10.658
  173    H    GLU  25           H        GLU  25   1.920   1.837  -7.121
  174    HA   GLU  25           HA       GLU  25   3.486   0.666  -9.270
  175   1HB   GLU  25          1HB       GLU  25   2.721   3.526  -9.380
  176   2HB   GLU  25          2HB       GLU  25   2.675   2.303 -10.642
  177   1HG   GLU  25          1HG       GLU  25   0.694   1.314  -9.402
  178   2HG   GLU  25          2HG       GLU  25   0.672   2.810  -8.470
  179    H    VAL  26           H        VAL  26   3.790   3.245  -6.839
  180    HA   VAL  26           HA       VAL  26   6.170   4.301  -7.754
  181    HB   VAL  26           HB       VAL  26   6.303   3.791  -4.869
  182   1HG1  VAL  26          1HG1      VAL  26   7.554   5.379  -6.426
  183   2HG1  VAL  26          2HG1      VAL  26   6.122   6.389  -6.308
  184   3HG1  VAL  26          3HG1      VAL  26   7.028   5.983  -4.861
  185   1HG2  VAL  26          1HG2      VAL  26   3.849   3.935  -5.204
  186   2HG2  VAL  26          2HG2      VAL  26   4.570   5.184  -4.189
  187   3HG2  VAL  26          3HG2      VAL  26   4.110   5.558  -5.850
  188    H    ALA  27           H        ALA  27   5.681   1.691  -5.491
  189    HA   ALA  27           HA       ALA  27   7.967   0.638  -4.867
  190   1HB   ALA  27          1HB       ALA  27   5.429  -0.467  -5.288
  191   2HB   ALA  27          2HB       ALA  27   6.572  -1.553  -6.082
  192   3HB   ALA  27          3HB       ALA  27   6.762  -1.168  -4.368
  193    H    THR  28           H        THR  28   6.574  -0.714  -7.805
  194    HA   THR  28           HA       THR  28   8.840  -1.869  -8.803
  195    HB   THR  28           HB       THR  28   7.629  -2.329 -10.653
  196    HG1  THR  28           HG1      THR  28   7.776  -0.580 -11.857
  197   1HG2  THR  28          1HG2      THR  28   5.915  -2.384  -8.805
  198   2HG2  THR  28          2HG2      THR  28   5.352  -0.829  -9.416
  199   3HG2  THR  28          3HG2      THR  28   5.296  -2.256 -10.451
  200    H    GLN  29           H        GLN  29   7.887   1.473  -8.886
  201    HA   GLN  29           HA       GLN  29   9.959   2.244 -10.736
  202   1HB   GLN  29          1HB       GLN  29   8.184   3.918  -8.958
  203   2HB   GLN  29          2HB       GLN  29   9.296   4.566 -10.154
  204   1HG   GLN  29          1HG       GLN  29   7.754   2.700 -11.532
  205   2HG   GLN  29          2HG       GLN  29   6.623   3.563 -10.489
  206   1HE2  GLN  29          2HE2      GLN  29   7.263   6.045 -10.441
  207   2HE2  GLN  29          1HE2      GLN  29   7.400   6.754 -12.010
  208    H    ASN  30           H        ASN  30   9.580   2.031  -7.289
  209    HA   ASN  30           HA       ASN  30  12.052   3.452  -6.747
  210   1HB   ASN  30          1HB       ASN  30  10.851   1.917  -4.556
  211   2HB   ASN  30          2HB       ASN  30  11.282   3.605  -4.612
  212   1HD2  ASN  30          2HD2      ASN  30   8.837   2.186  -3.660
  213   2HD2  ASN  30          1HD2      ASN  30   7.541   2.905  -4.478
  214    H    GLY  31           H        GLY  31  11.505   0.531  -7.985
  215   1HA   GLY  31          1HA       GLY  31  12.958  -1.269  -8.240
  216   2HA   GLY  31          2HA       GLY  31  14.006  -0.555  -7.018
  217    H    VAL  32           H        VAL  32  11.088  -0.441  -5.678
  218    HA   VAL  32           HA       VAL  32  11.454  -2.216  -3.642
  219    HB   VAL  32           HB       VAL  32   8.764  -1.522  -4.772
  220   1HG1  VAL  32          1HG1      VAL  32   8.895  -3.019  -2.763
  221   2HG1  VAL  32          2HG1      VAL  32   9.569  -1.632  -1.896
  222   3HG1  VAL  32          3HG1      VAL  32   7.940  -1.540  -2.581
  223   1HG2  VAL  32          1HG2      VAL  32  10.746   0.211  -3.389
  224   2HG2  VAL  32          2HG2      VAL  32   9.769   0.549  -4.821
  225   3HG2  VAL  32          3HG2      VAL  32   9.014   0.508  -3.224
  226    HA   PRO  33           HA       PRO  33  11.096  -6.443  -4.652
  227   1HB   PRO  33          1HB       PRO  33   8.605  -6.495  -3.073
  228   2HB   PRO  33          2HB       PRO  33  10.104  -7.392  -2.829
  229   1HG   PRO  33          1HG       PRO  33   9.259  -4.961  -1.529
  230   2HG   PRO  33          2HG       PRO  33  10.739  -5.878  -1.251
  231   1HD   PRO  33          1HD       PRO  33  10.644  -3.379  -2.345
  232   2HD   PRO  33          2HD       PRO  33  11.961  -4.523  -2.600
  233    H    GLY  34           H        GLY  34   8.293  -4.383  -4.920
  234   1HA   GLY  34          1HA       GLY  34   6.579  -4.296  -6.441
  235   2HA   GLY  34          2HA       GLY  34   7.706  -5.058  -7.554
  236    H    ILE  35           H        ILE  35   5.704  -5.934  -4.745
  237    HA   ILE  35           HA       ILE  35   5.292  -8.586  -5.877
  238    HB   ILE  35           HB       ILE  35   4.026  -7.562  -3.349
  239   1HG1  ILE  35          1HG1      ILE  35   6.410  -7.087  -3.161
  240   2HG1  ILE  35          2HG1      ILE  35   5.991  -8.455  -2.133
  241   1HG2  ILE  35          1HG2      ILE  35   4.397 -10.161  -4.679
  242   2HG2  ILE  35          2HG2      ILE  35   4.656 -10.153  -2.936
  243   3HG2  ILE  35          3HG2      ILE  35   3.116  -9.607  -3.601
  244   1HD1  ILE  35          1HD1      ILE  35   7.256  -8.652  -4.856
  245   2HD1  ILE  35          2HD1      ILE  35   8.105  -8.785  -3.316
  246   3HD1  ILE  35          3HD1      ILE  35   6.900  -9.992  -3.766
  247    H    VAL  36           H        VAL  36   4.223  -6.486  -7.394
  248    HA   VAL  36           HA       VAL  36   1.345  -7.064  -7.166
  249    HB   VAL  36           HB       VAL  36   0.751  -4.833  -7.759
  250   1HG1  VAL  36          1HG1      VAL  36   1.827  -5.452  -5.369
  251   2HG1  VAL  36          2HG1      VAL  36   2.862  -4.103  -5.838
  252   3HG1  VAL  36          3HG1      VAL  36   1.114  -3.883  -5.746
  253   1HG2  VAL  36          1HG2      VAL  36   3.374  -4.753  -8.859
  254   2HG2  VAL  36          2HG2      VAL  36   2.059  -3.593  -9.057
  255   3HG2  VAL  36          3HG2      VAL  36   3.202  -3.413  -7.726
  256    H    ALA  37           H        ALA  37   0.797  -5.402  -9.528
  257    HA   ALA  37           HA       ALA  37   0.927  -5.431 -11.823
  258   1HB   ALA  37          1HB       ALA  37   3.438  -6.014 -11.306
  259   2HB   ALA  37          2HB       ALA  37   2.950  -7.615 -11.860
  260   3HB   ALA  37          3HB       ALA  37   2.774  -6.221 -12.926
  261    H    GLU  38           H        GLU  38  -0.279  -7.548  -9.827
  262    HA   GLU  38           HA       GLU  38  -0.712  -9.860 -11.444
  263   1HB   GLU  38          1HB       GLU  38  -1.932  -8.828  -8.896
  264   2HB   GLU  38          2HB       GLU  38  -2.577 -10.253  -9.701
  265   1HG   GLU  38          1HG       GLU  38   0.326 -10.044  -9.005
  266   2HG   GLU  38          2HG       GLU  38  -0.868 -10.576  -7.823
  267    H    CYS  39           H        CYS  39  -3.301  -7.851 -10.104
  268    HA   CYS  39           HA       CYS  39  -4.872  -8.290 -12.495
  269   1HB   CYS  39          1HB       CYS  39  -6.718  -7.393 -11.260
  270   2HB   CYS  39          2HB       CYS  39  -5.830  -8.462 -10.183
  271    H    GLY  40           H        GLY  40  -3.021  -5.735 -11.033
  272   1HA   GLY  40          1HA       GLY  40  -2.422  -3.661 -11.810
  273   2HA   GLY  40          2HA       GLY  40  -2.917  -4.222 -13.398
  274    H    GLY  41           H        GLY  41  -4.138  -2.825 -10.378
  275   1HA   GLY  41          1HA       GLY  41  -5.817  -1.304 -10.001
  276   2HA   GLY  41          2HA       GLY  41  -5.680  -0.872 -11.699
  277    H    SER  42           H        SER  42  -6.499  -4.069 -10.518
  278    HA   SER  42           HA       SER  42  -9.169  -3.746 -11.714
  279   1HB   SER  42          1HB       SER  42  -7.156  -5.756 -12.062
  280   2HB   SER  42          2HB       SER  42  -8.583  -6.498 -11.339
  281    HG   SER  42           HG       SER  42  -9.407  -6.431 -13.259
  282    H    CYS  43           H        CYS  43  -7.438  -4.378  -8.837
  283    HA   CYS  43           HA       CYS  43  -8.048  -4.931  -6.713
  284   1HB   CYS  43          1HB       CYS  43 -10.755  -3.880  -7.557
  285   2HB   CYS  43          2HB       CYS  43 -10.130  -3.989  -5.914
  286    HG   CYS  43           HG       CYS  43  -8.439  -2.079  -6.514
  287    H    VAL  44           H        VAL  44  -8.073  -7.100  -8.382
  288    HA   VAL  44           HA       VAL  44 -10.392  -8.626  -7.392
  289    HB   VAL  44           HB       VAL  44 -10.349  -8.211  -9.907
  290   1HG1  VAL  44          1HG1      VAL  44  -7.734  -9.203  -9.611
  291   2HG1  VAL  44          2HG1      VAL  44  -8.637 -10.426 -10.504
  292   3HG1  VAL  44          3HG1      VAL  44  -8.565  -8.769 -11.104
  293   1HG2  VAL  44          1HG2      VAL  44 -10.786 -10.699  -8.436
  294   2HG2  VAL  44          2HG2      VAL  44 -11.826  -9.865  -9.592
  295   3HG2  VAL  44          3HG2      VAL  44 -10.541 -10.928 -10.168
  296    H    CYS  45           H        CYS  45  -7.229  -8.177  -6.915
  297    HA   CYS  45           HA       CYS  45  -6.817 -10.991  -6.180
  298   1HB   CYS  45          1HB       CYS  45  -4.703 -11.110  -7.092
  299   2HB   CYS  45          2HB       CYS  45  -5.513 -10.089  -8.274
  300    H    ALA  46           H        ALA  46  -4.997 -11.229  -4.560
  301    HA   ALA  46           HA       ALA  46  -4.920  -8.909  -2.747
  302   1HB   ALA  46          1HB       ALA  46  -6.513 -10.797  -2.083
  303   2HB   ALA  46          2HB       ALA  46  -5.058 -11.730  -1.733
  304   3HB   ALA  46          3HB       ALA  46  -5.369 -10.226  -0.868
  305    H    THR  47           H        THR  47  -2.979 -10.004  -4.737
  306    HA   THR  47           HA       THR  47  -0.825 -11.029  -3.074
  307    HB   THR  47           HB       THR  47  -0.515 -10.275  -5.962
  308    HG1  THR  47           HG1      THR  47  -2.183 -11.529  -6.296
  309   1HG2  THR  47          1HG2      THR  47   0.681 -12.370  -4.182
  310   2HG2  THR  47          2HG2      THR  47   0.791 -12.445  -5.940
  311   3HG2  THR  47          3HG2      THR  47   1.496 -11.082  -5.069
  312    H    CYS  48           H        CYS  48  -2.011  -8.036  -4.089
  313    HA   CYS  48           HA       CYS  48   0.579  -6.695  -3.897
  314   1HB   CYS  48          1HB       CYS  48  -0.484  -4.780  -4.810
  315   2HB   CYS  48          2HB       CYS  48  -1.133  -6.152  -5.702
  316    H    ARG  49           H        ARG  49  -1.964  -7.588  -1.909
  317    HA   ARG  49           HA       ARG  49  -2.673  -5.664  -0.228
  318   1HB   ARG  49          1HB       ARG  49  -2.907  -8.233   0.001
  319   2HB   ARG  49          2HB       ARG  49  -1.447  -8.125   0.974
  320   1HG   ARG  49          1HG       ARG  49  -3.277  -6.148   1.883
  321   2HG   ARG  49          2HG       ARG  49  -4.123  -7.692   1.764
  322   1HD   ARG  49          1HD       ARG  49  -1.818  -8.491   2.912
  323   2HD   ARG  49          2HD       ARG  49  -1.937  -6.855   3.558
  324    HE   ARG  49           HE       ARG  49  -4.401  -7.855   4.007
  325   1HH1  ARG  49          1HH1      ARG  49  -1.202  -9.049   4.699
  326   2HH1  ARG  49          2HH1      ARG  49  -1.692  -9.914   6.117
  327   1HH2  ARG  49          1HH2      ARG  49  -5.055  -8.989   5.874
  328   2HH2  ARG  49          2HH2      ARG  49  -3.881  -9.881   6.783
  329    H    ILE  50           H        ILE  50  -1.450  -3.905   0.166
  330    HA   ILE  50           HA       ILE  50   1.180  -4.315   1.429
  331    HB   ILE  50           HB       ILE  50   0.710  -2.832  -0.775
  332   1HG1  ILE  50          1HG1      ILE  50   2.796  -1.451   0.240
  333   2HG1  ILE  50          2HG1      ILE  50   2.758  -2.810   1.360
  334   1HG2  ILE  50          1HG2      ILE  50  -0.747  -1.268   0.503
  335   2HG2  ILE  50          2HG2      ILE  50   0.664  -0.807   1.454
  336   3HG2  ILE  50          3HG2      ILE  50   0.629  -0.491  -0.280
  337   1HD1  ILE  50          1HD1      ILE  50   2.516  -3.675  -1.387
  338   2HD1  ILE  50          2HD1      ILE  50   3.984  -2.737  -1.111
  339   3HD1  ILE  50          3HD1      ILE  50   3.658  -4.173  -0.138
  340    H    GLU  51           H        GLU  51   1.674  -2.137   2.778
  341    HA   GLU  51           HA       GLU  51  -0.668  -1.496   4.408
  342   1HB   GLU  51          1HB       GLU  51   1.645  -3.110   5.260
  343   2HB   GLU  51          2HB       GLU  51   1.196  -1.817   6.364
  344   1HG   GLU  51          1HG       GLU  51  -0.964  -2.700   6.679
  345   2HG   GLU  51          2HG       GLU  51  -0.790  -3.810   5.319
  346    H    ILE  52           H        ILE  52  -0.775   0.638   4.473
  347    HA   ILE  52           HA       ILE  52   1.423   2.377   3.947
  348    HB   ILE  52           HB       ILE  52  -1.263   2.969   5.220
  349   1HG1  ILE  52          1HG1      ILE  52  -1.099   1.917   2.842
  350   2HG1  ILE  52          2HG1      ILE  52  -2.146   3.307   3.104
  351   1HG2  ILE  52          1HG2      ILE  52   1.025   4.636   4.730
  352   2HG2  ILE  52          2HG2      ILE  52  -0.356   5.197   3.790
  353   3HG2  ILE  52          3HG2      ILE  52  -0.494   5.027   5.538
  354   1HD1  ILE  52          1HD1      ILE  52   0.665   3.724   2.233
  355   2HD1  ILE  52          2HD1      ILE  52  -0.565   3.244   1.057
  356   3HD1  ILE  52          3HD1      ILE  52  -0.760   4.737   1.979
  357    H    GLU  53           H        GLU  53   2.626   3.706   5.496
  358    HA   GLU  53           HA       GLU  53   3.127   2.361   7.936
  359   1HB   GLU  53          1HB       GLU  53   4.353   4.282   8.686
  360   2HB   GLU  53          2HB       GLU  53   4.615   4.129   6.953
  361   1HG   GLU  53          1HG       GLU  53   2.966   6.085   8.449
  362   2HG   GLU  53          2HG       GLU  53   4.235   6.377   7.283
  363    H    ASP  54           H        ASP  54   2.756   3.717  10.194
  364    HA   ASP  54           HA       ASP  54  -0.156   3.865  10.338
  365   1HB   ASP  54          1HB       ASP  54   1.317   2.484  11.951
  366   2HB   ASP  54          2HB       ASP  54   1.687   4.028  12.713
  367    H    ALA  55           H        ALA  55   1.521   5.999   9.239
  368    HA   ALA  55           HA       ALA  55   0.729   8.201  11.022
  369   1HB   ALA  55          1HB       ALA  55   3.127   7.706   9.419
  370   2HB   ALA  55          2HB       ALA  55   2.443   9.316   9.191
  371   3HB   ALA  55          3HB       ALA  55   2.898   8.768  10.808
  372    H    TRP  56           H        TRP  56   0.657   6.840   7.849
  373    HA   TRP  56           HA       TRP  56  -0.885   9.098   6.826
  374   1HB   TRP  56          1HB       TRP  56   0.570   6.899   5.417
  375   2HB   TRP  56          2HB       TRP  56  -0.206   8.263   4.643
  376    HD1  TRP  56           HD1      TRP  56   2.451   7.708   7.375
  377    HE1  TRP  56           HE1      TRP  56   4.253   9.480   7.124
  378    HE3  TRP  56           HE3      TRP  56   0.365  10.324   3.505
  379    HZ2  TRP  56           HZ2      TRP  56   4.726  11.741   5.523
  380    HZ3  TRP  56           HZ3      TRP  56   1.603  12.288   2.664
  381    HH2  TRP  56           HH2      TRP  56   3.716  12.977   3.645
  382    H    VAL  57           H        VAL  57  -1.696   6.244   8.133
  383    HA   VAL  57           HA       VAL  57  -3.332   5.129   6.133
  384    HB   VAL  57           HB       VAL  57  -3.789   5.044   9.110
  385   1HG1  VAL  57          1HG1      VAL  57  -5.519   4.338   7.320
  386   2HG1  VAL  57          2HG1      VAL  57  -4.473   2.929   7.130
  387   3HG1  VAL  57          3HG1      VAL  57  -5.203   3.277   8.699
  388   1HG2  VAL  57          1HG2      VAL  57  -1.500   4.440   8.079
  389   2HG2  VAL  57          2HG2      VAL  57  -2.234   3.360   9.269
  390   3HG2  VAL  57          3HG2      VAL  57  -2.327   2.979   7.546
  391    H    GLU  58           H        GLU  58  -3.731   7.551   8.591
  392    HA   GLU  58           HA       GLU  58  -6.512   7.994   7.950
  393   1HB   GLU  58          1HB       GLU  58  -4.900   9.973   9.511
  394   2HB   GLU  58          2HB       GLU  58  -6.567   9.465   9.745
  395   1HG   GLU  58          1HG       GLU  58  -5.641   7.232  10.488
  396   2HG   GLU  58          2HG       GLU  58  -4.060   8.012  10.523
  397    H    ILE  59           H        ILE  59  -3.628   8.670   6.532
  398    HA   ILE  59           HA       ILE  59  -4.465  11.261   5.395
  399    HB   ILE  59           HB       ILE  59  -1.859   9.804   5.507
  400   1HG1  ILE  59          1HG1      ILE  59  -2.154  12.732   5.756
  401   2HG1  ILE  59          2HG1      ILE  59  -2.833  11.744   7.046
  402   1HG2  ILE  59          1HG2      ILE  59  -2.741  11.651   3.356
  403   2HG2  ILE  59          2HG2      ILE  59  -1.087  11.784   3.954
  404   3HG2  ILE  59          3HG2      ILE  59  -1.661  10.258   3.280
  405   1HD1  ILE  59          1HD1      ILE  59  -0.015  11.481   6.077
  406   2HD1  ILE  59          2HD1      ILE  59  -0.494  12.551   7.394
  407   3HD1  ILE  59          3HD1      ILE  59  -0.736  10.812   7.538
  408    H    VAL  60           H        VAL  60  -3.639   7.972   4.643
  409    HA   VAL  60           HA       VAL  60  -4.064   8.326   1.798
  410    HB   VAL  60           HB       VAL  60  -3.500   5.794   3.330
  411   1HG1  VAL  60          1HG1      VAL  60  -3.397   6.566   0.439
  412   2HG1  VAL  60          2HG1      VAL  60  -2.432   5.229   1.064
  413   3HG1  VAL  60          3HG1      VAL  60  -4.192   5.185   1.196
  414   1HG2  VAL  60          1HG2      VAL  60  -1.827   8.112   2.896
  415   2HG2  VAL  60          2HG2      VAL  60  -1.500   6.635   3.804
  416   3HG2  VAL  60          3HG2      VAL  60  -1.160   6.693   2.077
  417    H    GLY  61           H        GLY  61  -5.612   6.727   4.533
  418   1HA   GLY  61          1HA       GLY  61  -7.885   6.273   4.794
  419   2HA   GLY  61          2HA       GLY  61  -8.156   6.866   3.164
  420    H    GLU  62           H        GLU  62  -7.197   4.078   5.078
  421    HA   GLU  62           HA       GLU  62  -6.719   2.197   3.170
  422   1HB   GLU  62          1HB       GLU  62  -8.354   1.732   5.668
  423   2HB   GLU  62          2HB       GLU  62  -7.427   0.532   4.780
  424   1HG   GLU  62          1HG       GLU  62  -5.418   1.281   5.589
  425   2HG   GLU  62          2HG       GLU  62  -6.018   2.911   5.880
  426    H    ALA  63           H        ALA  63  -8.395   0.237   3.012
  427    HA   ALA  63           HA       ALA  63 -10.419   1.203   1.236
  428   1HB   ALA  63          1HB       ALA  63  -9.224  -0.837   0.712
  429   2HB   ALA  63          2HB       ALA  63  -9.863  -1.605   2.167
  430   3HB   ALA  63          3HB       ALA  63 -10.956  -1.150   0.859
  431    H    ASN  64           H        ASN  64 -12.601   1.033   1.372
  432    HA   ASN  64           HA       ASN  64 -13.870   1.521   3.769
  433   1HB   ASN  64          1HB       ASN  64 -15.886   0.538   2.192
  434   2HB   ASN  64          2HB       ASN  64 -15.293   2.188   2.126
  435   1HD2  ASN  64          2HD2      ASN  64 -14.530   2.908   0.254
  436   2HD2  ASN  64          1HD2      ASN  64 -14.191   1.929  -1.128
  437    HA   PRO  65           HA       PRO  65 -14.981  -2.333   5.561
  438   1HB   PRO  65          1HB       PRO  65 -17.868  -1.926   5.153
  439   2HB   PRO  65          2HB       PRO  65 -16.943  -1.973   6.657
  440   1HG   PRO  65          1HG       PRO  65 -17.976   0.322   5.715
  441   2HG   PRO  65          2HG       PRO  65 -16.417   0.280   6.561
  442   1HD   PRO  65          1HD       PRO  65 -16.964   0.404   3.614
  443   2HD   PRO  65          2HD       PRO  65 -15.762   1.307   4.558
  444    H    ASP  66           H        ASP  66 -15.525  -1.845   2.332
  445    HA   ASP  66           HA       ASP  66 -16.906  -4.354   1.823
  446   1HB   ASP  66          1HB       ASP  66 -15.783  -2.326  -0.126
  447   2HB   ASP  66          2HB       ASP  66 -16.832  -3.681  -0.529
  448    H    GLU  67           H        GLU  67 -13.818  -2.817   0.906
  449    HA   GLU  67           HA       GLU  67 -12.609  -5.014  -0.292
  450   1HB   GLU  67          1HB       GLU  67 -11.640  -2.755  -0.321
  451   2HB   GLU  67          2HB       GLU  67 -11.309  -2.872   1.402
  452   1HG   GLU  67          1HG       GLU  67  -9.357  -3.263  -0.132
  453   2HG   GLU  67          2HG       GLU  67  -9.652  -4.507   1.083
  454    H    ASN  68           H        ASN  68 -12.647  -4.028   3.108
  455    HA   ASN  68           HA       ASN  68 -11.059  -6.159   4.075
  456   1HB   ASN  68          1HB       ASN  68 -11.336  -4.202   5.440
  457   2HB   ASN  68          2HB       ASN  68 -13.089  -4.381   5.435
  458   1HD2  ASN  68          1HD2      ASN  68 -13.144  -4.396   7.684
  459   2HD2  ASN  68          2HD2      ASN  68 -12.643  -5.771   8.602
  460    H    ASP  69           H        ASP  69 -14.500  -5.780   3.498
  461    HA   ASP  69           HA       ASP  69 -15.397  -8.072   4.861
  462   1HB   ASP  69          1HB       ASP  69 -16.523  -6.074   3.152
  463   2HB   ASP  69          2HB       ASP  69 -17.034  -7.656   2.572
  464    H    LEU  70           H        LEU  70 -14.316  -7.572   1.528
  465    HA   LEU  70           HA       LEU  70 -14.880 -10.138   0.552
  466   1HB   LEU  70          1HB       LEU  70 -14.381  -8.493  -1.048
  467   2HB   LEU  70          2HB       LEU  70 -12.900  -8.024  -0.235
  468    HG   LEU  70           HG       LEU  70 -12.969 -10.802  -1.230
  469   1HD1  LEU  70          1HD1      LEU  70 -13.858  -8.749  -2.934
  470   2HD1  LEU  70          2HD1      LEU  70 -12.199  -9.117  -3.407
  471   3HD1  LEU  70          3HD1      LEU  70 -13.409 -10.399  -3.365
  472   1HD2  LEU  70          1HD2      LEU  70 -10.995  -9.810  -0.175
  473   2HD2  LEU  70          2HD2      LEU  70 -10.678 -10.260  -1.851
  474   3HD2  LEU  70          3HD2      LEU  70 -10.951  -8.570  -1.428
  475    H    LEU  71           H        LEU  71 -12.090  -8.842   2.261
  476    HA   LEU  71           HA       LEU  71 -10.580 -11.288   2.037
  477   1HB   LEU  71          1HB       LEU  71 -10.181  -8.659   3.415
  478   2HB   LEU  71          2HB       LEU  71  -9.177 -10.029   3.851
  479    HG   LEU  71           HG       LEU  71  -9.422  -9.102   1.002
  480   1HD1  LEU  71          1HD1      LEU  71  -8.370  -7.569   3.079
  481   2HD1  LEU  71          2HD1      LEU  71  -6.974  -8.302   2.288
  482   3HD1  LEU  71          3HD1      LEU  71  -8.115  -7.341   1.349
  483   1HD2  LEU  71          1HD2      LEU  71  -8.427 -11.385   1.871
  484   2HD2  LEU  71          2HD2      LEU  71  -7.659 -10.486   0.562
  485   3HD2  LEU  71          3HD2      LEU  71  -7.018 -10.376   2.201
  486    H    GLN  72           H        GLN  72 -12.743  -9.790   4.323
  487    HA   GLN  72           HA       GLN  72 -12.101 -11.384   6.573
  488   1HB   GLN  72          1HB       GLN  72 -14.351  -9.596   5.795
  489   2HB   GLN  72          2HB       GLN  72 -14.634 -10.734   7.106
  490   1HG   GLN  72          1HG       GLN  72 -12.216  -9.639   7.780
  491   2HG   GLN  72          2HG       GLN  72 -13.073  -8.277   7.058
  492   1HE2  GLN  72          2HE2      GLN  72 -14.113 -11.023   9.054
  493   2HE2  GLN  72          1HE2      GLN  72 -14.861 -10.067  10.284
  494    H    SER  73           H        SER  73 -14.289 -11.788   3.862
  495    HA   SER  73           HA       SER  73 -15.828 -13.913   4.804
  496   1HB   SER  73          1HB       SER  73 -16.736 -13.798   2.752
  497   2HB   SER  73          2HB       SER  73 -15.572 -12.520   2.397
  498    HG   SER  73           HG       SER  73 -14.257 -13.975   1.427
  499    H    THR  74           H        THR  74 -12.574 -13.827   3.547
  500    HA   THR  74           HA       THR  74 -12.316 -16.634   3.125
  501    HB   THR  74           HB       THR  74  -9.986 -16.208   2.779
  502    HG1  THR  74           HG1      THR  74 -10.444 -13.731   4.078
  503   1HG2  THR  74          1HG2      THR  74 -11.663 -15.152   1.145
  504   2HG2  THR  74          2HG2      THR  74 -11.174 -13.622   1.872
  505   3HG2  THR  74          3HG2      THR  74  -9.977 -14.643   1.078
  506    H    GLY  75           H        GLY  75 -11.257 -14.446   5.726
  507   1HA   GLY  75          1HA       GLY  75 -11.696 -15.388   8.013
  508   2HA   GLY  75          2HA       GLY  75 -10.885 -16.833   7.430
  509    H    GLU  76           H        GLU  76  -9.508 -13.993   6.206
  510    HA   GLU  76           HA       GLU  76  -7.295 -14.237   8.124
  511   1HB   GLU  76          1HB       GLU  76  -7.418 -13.264   5.275
  512   2HB   GLU  76          2HB       GLU  76  -6.031 -12.946   6.309
  513   1HG   GLU  76          1HG       GLU  76  -5.607 -15.294   6.557
  514   2HG   GLU  76          2HG       GLU  76  -7.087 -15.692   5.686
  515    HA   PRO  77           HA       PRO  77  -8.862 -10.360   9.786
  516   1HB   PRO  77          1HB       PRO  77  -6.369 -10.564  11.371
  517   2HB   PRO  77          2HB       PRO  77  -8.038 -10.387  11.919
  518   1HG   PRO  77          1HG       PRO  77  -6.733 -12.707  12.175
  519   2HG   PRO  77          2HG       PRO  77  -8.463 -12.657  11.787
  520   1HD   PRO  77          1HD       PRO  77  -6.129 -13.178   9.991
  521   2HD   PRO  77          2HD       PRO  77  -7.733 -13.941  10.006
  522    H    MET  78           H        MET  78  -7.668  -8.227  10.376
  523    HA   MET  78           HA       MET  78  -5.707  -7.666   8.248
  524   1HB   MET  78          1HB       MET  78  -7.714  -5.749   9.444
  525   2HB   MET  78          2HB       MET  78  -6.615  -5.414   8.113
  526   1HG   MET  78          1HG       MET  78  -8.090  -7.709   7.406
  527   2HG   MET  78          2HG       MET  78  -9.234  -6.530   8.049
  528   1HE   MET  78          1HE       MET  78  -8.204  -3.795   7.385
  529   2HE   MET  78          2HE       MET  78  -8.736  -3.461   5.736
  530   3HE   MET  78          3HE       MET  78  -9.834  -4.238   6.878
  531    H    THR  79           H        THR  79  -4.516  -5.497   8.779
  532    HA   THR  79           HA       THR  79  -3.649  -5.602  11.595
  533    HB   THR  79           HB       THR  79  -1.392  -5.236  10.937
  534    HG1  THR  79           HG1      THR  79  -2.513  -4.181   8.739
  535   1HG2  THR  79          1HG2      THR  79  -2.801  -7.470   9.889
  536   2HG2  THR  79          2HG2      THR  79  -1.541  -7.000   8.748
  537   3HG2  THR  79          3HG2      THR  79  -1.123  -7.362  10.422
  538    H    ALA  80           H        ALA  80  -1.860  -3.403  11.366
  539    HA   ALA  80           HA       ALA  80  -3.809  -1.245  11.446
  540   1HB   ALA  80          1HB       ALA  80  -0.958  -1.476  12.361
  541   2HB   ALA  80          2HB       ALA  80  -1.825   0.060  12.344
  542   3HB   ALA  80          3HB       ALA  80  -2.414  -1.274  13.336
  543    H    GLY  81           H        GLY  81  -4.009   0.299   9.966
  544   1HA   GLY  81          1HA       GLY  81  -3.567   1.658   8.174
  545   2HA   GLY  81          2HA       GLY  81  -1.873   1.244   8.349
  546    H    THR  82           H        THR  82  -4.108  -1.358   7.945
  547    HA   THR  82           HA       THR  82  -2.827  -2.239   5.575
  548    HB   THR  82           HB       THR  82  -5.531  -3.281   6.176
  549    HG1  THR  82           HG1      THR  82  -5.002  -3.082   8.259
  550   1HG2  THR  82          1HG2      THR  82  -2.927  -4.316   5.307
  551   2HG2  THR  82          2HG2      THR  82  -3.866  -5.374   6.360
  552   3HG2  THR  82          3HG2      THR  82  -4.559  -4.797   4.844
  553    H    ARG  83           H        ARG  83  -3.346  -1.998   3.462
  554    HA   ARG  83           HA       ARG  83  -5.911  -1.199   2.538
  555   1HB   ARG  83          1HB       ARG  83  -5.361   0.965   3.386
  556   2HB   ARG  83          2HB       ARG  83  -3.747   0.897   2.693
  557   1HG   ARG  83          1HG       ARG  83  -5.429   2.363   1.511
  558   2HG   ARG  83          2HG       ARG  83  -4.552   1.204   0.509
  559   1HD   ARG  83          1HD       ARG  83  -6.443   0.210  -0.111
  560   2HD   ARG  83          2HD       ARG  83  -6.960   0.027   1.564
  561    HE   ARG  83           HE       ARG  83  -7.540   2.583   1.144
  562   1HH1  ARG  83          1HH1      ARG  83  -8.104  -0.208  -0.861
  563   2HH1  ARG  83          2HH1      ARG  83  -9.535   0.441  -1.588
  564   1HH2  ARG  83          1HH2      ARG  83  -9.419   3.452   0.192
  565   2HH2  ARG  83          2HH2      ARG  83 -10.284   2.524  -0.989
  566    H    LEU  84           H        LEU  84  -6.134  -1.603   0.390
  567    HA   LEU  84           HA       LEU  84  -4.210  -3.120  -0.946
  568   1HB   LEU  84          1HB       LEU  84  -6.743  -1.774  -1.727
  569   2HB   LEU  84          2HB       LEU  84  -5.671  -2.283  -3.019
  570    HG   LEU  84           HG       LEU  84  -7.579  -3.865  -2.111
  571   1HD1  LEU  84          1HD1      LEU  84  -5.912  -4.317  -3.911
  572   2HD1  LEU  84          2HD1      LEU  84  -4.823  -4.942  -2.671
  573   3HD1  LEU  84          3HD1      LEU  84  -6.368  -5.737  -2.970
  574   1HD2  LEU  84          1HD2      LEU  84  -6.319  -3.634   0.208
  575   2HD2  LEU  84          2HD2      LEU  84  -7.123  -5.129  -0.272
  576   3HD2  LEU  84          3HD2      LEU  84  -5.376  -4.968  -0.456
  577    H    SER  85           H        SER  85  -2.314  -2.502  -1.694
  578    HA   SER  85           HA       SER  85  -1.392   0.092  -1.909
  579   1HB   SER  85          1HB       SER  85   0.262  -1.105  -3.631
  580   2HB   SER  85          2HB       SER  85   0.353  -1.384  -1.895
  581    HG   SER  85           HG       SER  85   0.329  -3.332  -3.130
  582    H    CYS  86           H        CYS  86  -2.857  -1.931  -4.423
  583    HA   CYS  86           HA       CYS  86  -2.545   0.204  -6.380
  584   1HB   CYS  86          1HB       CYS  86  -3.031  -1.360  -8.025
  585   2HB   CYS  86          2HB       CYS  86  -2.231  -2.344  -6.805
  586    H    GLN  87           H        GLN  87  -4.353   0.618  -4.105
  587    HA   GLN  87           HA       GLN  87  -6.863   0.900  -5.621
  588   1HB   GLN  87          1HB       GLN  87  -6.618  -0.682  -3.465
  589   2HB   GLN  87          2HB       GLN  87  -7.008   0.833  -2.664
  590   1HG   GLN  87          1HG       GLN  87  -9.131   0.858  -3.437
  591   2HG   GLN  87          2HG       GLN  87  -8.703   0.082  -4.961
  592   1HE2  GLN  87          2HE2      GLN  87  -7.852  -2.252  -4.579
  593   2HE2  GLN  87          1HE2      GLN  87  -8.851  -3.228  -3.563
  594    H    VAL  88           H        VAL  88  -4.544   2.447  -3.502
  595    HA   VAL  88           HA       VAL  88  -6.184   4.883  -3.540
  596    HB   VAL  88           HB       VAL  88  -4.022   3.935  -1.679
  597   1HG1  VAL  88          1HG1      VAL  88  -4.612   6.620  -2.456
  598   2HG1  VAL  88          2HG1      VAL  88  -5.016   6.380  -0.754
  599   3HG1  VAL  88          3HG1      VAL  88  -3.393   6.014  -1.338
  600   1HG2  VAL  88          1HG2      VAL  88  -6.294   3.131  -1.274
  601   2HG2  VAL  88          2HG2      VAL  88  -5.745   4.201   0.017
  602   3HG2  VAL  88          3HG2      VAL  88  -6.872   4.798  -1.203
  603    H    PHE  89           H        PHE  89  -5.518   6.574  -4.727
  604    HA   PHE  89           HA       PHE  89  -2.789   6.500  -5.803
  605   1HB   PHE  89          1HB       PHE  89  -5.210   7.910  -6.919
  606   2HB   PHE  89          2HB       PHE  89  -3.621   7.821  -7.675
  607    HD1  PHE  89           HD1      PHE  89  -3.565   4.849  -6.353
  608    HD2  PHE  89           HD2      PHE  89  -5.943   6.943  -9.190
  609    HE1  PHE  89           HE1      PHE  89  -4.189   2.698  -7.403
  610    HE2  PHE  89           HE2      PHE  89  -6.575   4.808 -10.255
  611    HZ   PHE  89           HZ       PHE  89  -5.696   2.679  -9.362
  612    H    ILE  90           H        ILE  90  -1.438   8.126  -5.637
  613    HA   ILE  90           HA       ILE  90  -1.367   9.858  -3.571
  614    HB   ILE  90           HB       ILE  90  -0.134  10.071  -6.311
  615   1HG1  ILE  90          1HG1      ILE  90   0.289   8.213  -4.426
  616   2HG1  ILE  90          2HG1      ILE  90   1.566   8.798  -5.488
  617   1HG2  ILE  90          1HG2      ILE  90   0.332  11.735  -3.865
  618   2HG2  ILE  90          2HG2      ILE  90   1.571  11.490  -5.094
  619   3HG2  ILE  90          3HG2      ILE  90   0.052  12.273  -5.514
  620   1HD1  ILE  90          1HD1      ILE  90   2.180  10.464  -3.734
  621   2HD1  ILE  90          2HD1      ILE  90   0.995   9.680  -2.677
  622   3HD1  ILE  90          3HD1      ILE  90   2.390   8.772  -3.251
  623    H    ASP  91           H        ASP  91  -1.407  12.208  -3.515
  624    HA   ASP  91           HA       ASP  91  -2.656  13.906  -5.305
  625   1HB   ASP  91          1HB       ASP  91  -4.904  13.762  -4.836
  626   2HB   ASP  91          2HB       ASP  91  -4.504  12.164  -4.228
  627    HA   PRO  92           HA       PRO  92  -1.044  16.693  -2.225
  628   1HB   PRO  92          1HB       PRO  92  -3.534  18.294  -2.160
  629   2HB   PRO  92          2HB       PRO  92  -1.908  18.773  -2.659
  630   1HG   PRO  92          1HG       PRO  92  -3.842  18.440  -4.469
  631   2HG   PRO  92          2HG       PRO  92  -2.177  17.927  -4.811
  632   1HD   PRO  92          1HD       PRO  92  -4.523  16.267  -3.947
  633   2HD   PRO  92          2HD       PRO  92  -3.322  15.931  -5.216
  634    H    SER  93           H        SER  93  -2.192  14.426  -1.203
  635    HA   SER  93           HA       SER  93  -3.085  15.273   1.439
  636   1HB   SER  93          1HB       SER  93  -5.055  14.131   1.346
  637   2HB   SER  93          2HB       SER  93  -4.852  14.263  -0.407
  638    HG   SER  93           HG       SER  93  -5.065  12.073   0.920
  639    H    MET  94           H        MET  94  -1.848  12.782  -0.707
  640    HA   MET  94           HA       MET  94  -0.570  11.383   1.535
  641   1HB   MET  94          1HB       MET  94  -1.434  10.467  -1.210
  642   2HB   MET  94          2HB       MET  94  -0.404   9.505  -0.168
  643   1HG   MET  94          1HG       MET  94  -2.099   8.985   1.260
  644   2HG   MET  94          2HG       MET  94  -2.970  10.487   0.942
  645   1HE   MET  94          1HE       MET  94  -1.543   8.728  -2.048
  646   2HE   MET  94          2HE       MET  94  -1.732   7.258  -1.092
  647   3HE   MET  94          3HE       MET  94  -2.734   7.515  -2.519
  648    H    ASP  95           H        ASP  95   0.579  13.710   0.594
  649    HA   ASP  95           HA       ASP  95   2.586  13.000  -1.297
  650   1HB   ASP  95          1HB       ASP  95   2.554  15.649   0.067
  651   2HB   ASP  95          2HB       ASP  95   2.880  15.280  -1.612
  652    H    GLY  96           H        GLY  96   4.540  12.282  -0.715
  653   1HA   GLY  96          1HA       GLY  96   6.425  11.971   0.632
  654   2HA   GLY  96          2HA       GLY  96   5.741  13.118   1.782
  655    H    LEU  97           H        LEU  97   3.854  10.534   0.502
  656    HA   LEU  97           HA       LEU  97   3.209   9.581   3.083
  657   1HB   LEU  97          1HB       LEU  97   1.488   8.527   2.107
  658   2HB   LEU  97          2HB       LEU  97   1.882   9.602   0.783
  659    HG   LEU  97           HG       LEU  97   3.445   7.294   0.384
  660   1HD1  LEU  97          1HD1      LEU  97   1.602   6.428   2.067
  661   2HD1  LEU  97          2HD1      LEU  97   0.625   6.388   0.599
  662   3HD1  LEU  97          3HD1      LEU  97   2.121   5.461   0.687
  663   1HD2  LEU  97          1HD2      LEU  97   2.133   8.961  -1.157
  664   2HD2  LEU  97          2HD2      LEU  97   2.435   7.305  -1.681
  665   3HD2  LEU  97          3HD2      LEU  97   0.860   7.748  -1.029
  666    H    ILE  98           H        ILE  98   3.411   7.509   3.924
  667    HA   ILE  98           HA       ILE  98   5.871   6.195   3.065
  668    HB   ILE  98           HB       ILE  98   4.718   6.309   5.787
  669   1HG1  ILE  98          1HG1      ILE  98   6.750   7.628   6.302
  670   2HG1  ILE  98          2HG1      ILE  98   7.141   7.606   4.580
  671   1HG2  ILE  98          1HG2      ILE  98   6.034   4.202   5.031
  672   2HG2  ILE  98          2HG2      ILE  98   7.432   5.259   5.231
  673   3HG2  ILE  98          3HG2      ILE  98   6.362   4.947   6.596
  674   1HD1  ILE  98          1HD1      ILE  98   4.432   8.432   5.118
  675   2HD1  ILE  98          2HD1      ILE  98   5.633   9.494   5.863
  676   3HD1  ILE  98          3HD1      ILE  98   5.669   9.198   4.123
  677    H    VAL  99           H        VAL  99   5.921   4.039   2.668
  678    HA   VAL  99           HA       VAL  99   3.452   2.603   3.239
  679    HB   VAL  99           HB       VAL  99   4.984   1.597   0.997
  680   1HG1  VAL  99          1HG1      VAL  99   2.282   1.760   2.064
  681   2HG1  VAL  99          2HG1      VAL  99   2.369   1.898   0.303
  682   3HG1  VAL  99          3HG1      VAL  99   3.056   0.487   1.107
  683   1HG2  VAL  99          1HG2      VAL  99   3.478   4.206   0.820
  684   2HG2  VAL  99          2HG2      VAL  99   5.207   3.989   0.565
  685   3HG2  VAL  99          3HG2      VAL  99   4.052   3.272  -0.561
  686    H    ARG 100           H        ARG 100   3.531   0.454   3.873
  687    HA   ARG 100           HA       ARG 100   6.195  -0.690   4.329
  688   1HB   ARG 100          1HB       ARG 100   3.976  -0.445   6.361
  689   2HB   ARG 100          2HB       ARG 100   5.347  -1.527   6.560
  690   1HG   ARG 100          1HG       ARG 100   6.862   0.401   6.489
  691   2HG   ARG 100          2HG       ARG 100   5.470   1.474   6.331
  692   1HD   ARG 100          1HD       ARG 100   5.122   1.443   8.529
  693   2HD   ARG 100          2HD       ARG 100   5.133  -0.320   8.557
  694    HE   ARG 100           HE       ARG 100   7.723   0.993   8.442
  695   1HH1  ARG 100          1HH1      ARG 100   5.282  -0.543  10.402
  696   2HH1  ARG 100          2HH1      ARG 100   6.366  -0.885  11.709
  697   1HH2  ARG 100          1HH2      ARG 100   9.154   0.539  10.157
  698   2HH2  ARG 100          2HH2      ARG 100   8.564  -0.270  11.571
  699    H    VAL 101           H        VAL 101   6.144  -3.038   4.795
  700    HA   VAL 101           HA       VAL 101   3.788  -4.354   3.613
  701    HB   VAL 101           HB       VAL 101   6.640  -5.226   3.150
  702   1HG1  VAL 101          1HG1      VAL 101   4.905  -6.986   3.053
  703   2HG1  VAL 101          2HG1      VAL 101   4.080  -6.067   1.794
  704   3HG1  VAL 101          3HG1      VAL 101   5.695  -6.713   1.499
  705   1HG2  VAL 101          1HG2      VAL 101   5.323  -3.037   1.995
  706   2HG2  VAL 101          2HG2      VAL 101   6.827  -3.790   1.462
  707   3HG2  VAL 101          3HG2      VAL 101   5.286  -4.318   0.785
  708    HA   PRO 102           HA       PRO 102   3.907  -6.806   7.302
  709   1HB   PRO 102          1HB       PRO 102   2.294  -8.827   6.485
  710   2HB   PRO 102          2HB       PRO 102   1.681  -7.224   6.908
  711   1HG   PRO 102          1HG       PRO 102   2.246  -8.389   4.211
  712   2HG   PRO 102          2HG       PRO 102   0.861  -7.417   4.741
  713   1HD   PRO 102          1HD       PRO 102   2.932  -6.364   3.345
  714   2HD   PRO 102          2HD       PRO 102   2.017  -5.432   4.548
  715    H    LEU 103           H        LEU 103   4.037  -9.299   7.776
  716    HA   LEU 103           HA       LEU 103   6.573 -10.165   6.751
  717   1HB   LEU 103          1HB       LEU 103   4.681 -11.072   8.852
  718   2HB   LEU 103          2HB       LEU 103   5.781 -12.272   8.201
  719    HG   LEU 103           HG       LEU 103   7.058  -9.741   8.997
  720   1HD1  LEU 103          1HD1      LEU 103   5.588 -11.471  10.954
  721   2HD1  LEU 103          2HD1      LEU 103   7.033 -10.576  11.424
  722   3HD1  LEU 103          3HD1      LEU 103   5.616  -9.711  10.828
  723   1HD2  LEU 103          1HD2      LEU 103   7.602 -12.668   9.101
  724   2HD2  LEU 103          2HD2      LEU 103   8.588 -11.359   8.449
  725   3HD2  LEU 103          3HD2      LEU 103   8.478 -11.594  10.194
  726    HA   PRO 104           HA       PRO 104   5.143 -12.841   3.550
  727   1HB   PRO 104          1HB       PRO 104   7.182 -14.596   3.400
  728   2HB   PRO 104          2HB       PRO 104   7.357 -12.908   2.905
  729   1HG   PRO 104          1HG       PRO 104   8.187 -14.228   5.460
  730   2HG   PRO 104          2HG       PRO 104   9.069 -13.051   4.471
  731   1HD   PRO 104          1HD       PRO 104   7.687 -12.381   6.727
  732   2HD   PRO 104          2HD       PRO 104   7.942 -11.265   5.370
  733    H    ALA 105           H        ALA 105   3.326 -13.887   4.317
  734    HA   ALA 105           HA       ALA 105   3.404 -16.632   4.682
  735   1HB   ALA 105          1HB       ALA 105   3.597 -15.082   7.212
  736   2HB   ALA 105          2HB       ALA 105   2.597 -16.535   7.190
  737   3HB   ALA 105          3HB       ALA 105   4.310 -16.636   6.779
  Start of MODEL    8
    1   2H    PRO   1          2H        PRO   1   3.717  14.845  -5.495
    2   1H    PRO   1          1H        PRO   1   4.499  13.410  -5.711
    3    HA   PRO   1           HA       PRO   1   4.346  14.955  -3.522
    4   1HB   PRO   1          1HB       PRO   1   3.454  12.244  -2.743
    5   2HB   PRO   1          2HB       PRO   1   3.111  13.790  -2.002
    6   1HG   PRO   1          1HG       PRO   1   1.246  12.673  -3.378
    7   2HG   PRO   1          2HG       PRO   1   1.574  14.393  -3.654
    8   1HD   PRO   1          1HD       PRO   1   2.602  12.036  -5.225
    9   2HD   PRO   1          2HD       PRO   1   1.720  13.438  -5.829
   10    H    ARG   2           H        ARG   2   5.173  13.246  -1.659
   11    HA   ARG   2           HA       ARG   2   7.579  11.955  -2.822
   12   1HB   ARG   2          1HB       ARG   2   8.585  13.619  -1.591
   13   2HB   ARG   2          2HB       ARG   2   7.219  13.780  -0.498
   14   1HG   ARG   2          1HG       ARG   2   7.921  11.958   0.814
   15   2HG   ARG   2          2HG       ARG   2   9.076  11.424  -0.409
   16   1HD   ARG   2          1HD       ARG   2  10.626  12.584   0.679
   17   2HD   ARG   2          2HD       ARG   2   9.798  14.044   0.138
   18    HE   ARG   2           HE       ARG   2   8.457  13.308   2.392
   19   1HH1  ARG   2          1HH1      ARG   2  11.795  13.946   1.633
   20   2HH1  ARG   2          2HH1      ARG   2  12.175  14.549   3.212
   21   1HH2  ARG   2          1HH2      ARG   2   8.946  14.098   4.476
   22   2HH2  ARG   2          2HH2      ARG   2  10.555  14.634   4.829
   23    H    VAL   3           H        VAL   3   8.337  10.021  -1.346
   24    HA   VAL   3           HA       VAL   3   6.253   9.053   0.377
   25    HB   VAL   3           HB       VAL   3   6.389   8.321  -2.445
   26   1HG1  VAL   3          1HG1      VAL   3   7.234   6.260  -1.149
   27   2HG1  VAL   3          2HG1      VAL   3   5.558   6.137  -0.627
   28   3HG1  VAL   3          3HG1      VAL   3   5.956   6.121  -2.356
   29   1HG2  VAL   3          1HG2      VAL   3   4.429   8.486  -0.250
   30   2HG2  VAL   3          2HG2      VAL   3   4.413   9.219  -1.863
   31   3HG2  VAL   3          3HG2      VAL   3   4.076   7.496  -1.674
   32    H    VAL   4           H        VAL   4   6.669   6.734   0.996
   33    HA   VAL   4           HA       VAL   4   9.398   5.898   0.756
   34    HB   VAL   4           HB       VAL   4   8.437   7.052   3.341
   35   1HG1  VAL   4          1HG1      VAL   4   9.993   4.612   2.993
   36   2HG1  VAL   4          2HG1      VAL   4  10.852   5.841   3.924
   37   3HG1  VAL   4          3HG1      VAL   4   9.263   5.285   4.453
   38   1HG2  VAL   4          1HG2      VAL   4  10.701   7.388   1.453
   39   2HG2  VAL   4          2HG2      VAL   4   9.727   8.609   2.274
   40   3HG2  VAL   4          3HG2      VAL   4  10.978   7.736   3.161
   41    H    PHE   5           H        PHE   5   9.200   3.930   0.315
   42    HA   PHE   5           HA       PHE   5   7.076   2.276   1.467
   43   1HB   PHE   5          1HB       PHE   5   9.098   1.875  -0.722
   44   2HB   PHE   5          2HB       PHE   5   8.086   0.574  -0.132
   45    HD1  PHE   5           HD1      PHE   5   6.717   4.040  -0.566
   46    HD2  PHE   5           HD2      PHE   5   7.167   0.139  -2.204
   47    HE1  PHE   5           HE1      PHE   5   5.105   4.567  -2.314
   48    HE2  PHE   5           HE2      PHE   5   5.562   0.644  -3.921
   49    HZ   PHE   5           HZ       PHE   5   4.485   2.861  -3.988
   50    H    ILE   6           H        ILE   6   7.909  -0.076   1.836
   51    HA   ILE   6           HA       ILE   6  10.523  -0.280   2.992
   52    HB   ILE   6           HB       ILE   6   8.283  -1.169   4.727
   53   1HG1  ILE   6          1HG1      ILE   6   7.990   1.284   4.022
   54   2HG1  ILE   6          2HG1      ILE   6   8.012   0.940   5.745
   55   1HG2  ILE   6          1HG2      ILE   6  11.154  -0.692   4.831
   56   2HG2  ILE   6          2HG2      ILE   6  10.271  -0.185   6.271
   57   3HG2  ILE   6          3HG2      ILE   6  10.166  -1.854   5.709
   58   1HD1  ILE   6          1HD1      ILE   6  10.579   1.606   4.458
   59   2HD1  ILE   6          2HD1      ILE   6   9.402   2.904   4.642
   60   3HD1  ILE   6          3HD1      ILE   6   9.972   2.023   6.060
   61    H    ASP   7           H        ASP   7  11.023  -2.542   3.595
   62    HA   ASP   7           HA       ASP   7   9.247  -4.639   2.945
   63   1HB   ASP   7          1HB       ASP   7  10.074  -3.536   0.682
   64   2HB   ASP   7          2HB       ASP   7  11.466  -4.577   0.967
   65    H    GLU   8           H        GLU   8  10.359  -6.750   2.858
   66    HA   GLU   8           HA       GLU   8  12.311  -6.895   4.963
   67   1HB   GLU   8          1HB       GLU   8  10.573  -8.507   5.073
   68   2HB   GLU   8          2HB       GLU   8  10.775  -8.952   3.384
   69   1HG   GLU   8          1HG       GLU   8  12.428 -10.392   3.827
   70   2HG   GLU   8          2HG       GLU   8  13.147  -9.344   5.046
   71    H    GLN   9           H        GLN   9  12.552  -6.331   1.753
   72    HA   GLN   9           HA       GLN   9  14.859  -8.022   1.240
   73   1HB   GLN   9          1HB       GLN   9  13.035  -6.363  -0.368
   74   2HB   GLN   9          2HB       GLN   9  14.714  -6.305  -0.884
   75   1HG   GLN   9          1HG       GLN   9  13.395  -8.016  -2.058
   76   2HG   GLN   9          2HG       GLN   9  14.767  -8.684  -1.174
   77   1HE2  GLN   9          2HE2      GLN   9  11.395  -8.708  -1.604
   78   2HE2  GLN   9          1HE2      GLN   9  11.007  -9.854  -0.370
   79    H    SER  10           H        SER  10  14.049  -4.667   1.861
   80    HA   SER  10           HA       SER  10  16.892  -4.144   2.356
   81   1HB   SER  10          1HB       SER  10  17.081  -2.680   0.680
   82   2HB   SER  10          2HB       SER  10  15.450  -3.101   0.156
   83    HG   SER  10           HG       SER  10  16.269  -1.013   1.873
   84    H    GLY  11           H        GLY  11  13.823  -4.138   3.569
   85   1HA   GLY  11          1HA       GLY  11  12.911  -3.253   5.482
   86   2HA   GLY  11          2HA       GLY  11  14.544  -2.808   5.933
   87    H    GLU  12           H        GLU  12  13.390  -1.571   2.977
   88    HA   GLU  12           HA       GLU  12  11.944   0.659   3.645
   89   1HB   GLU  12          1HB       GLU  12  13.540   1.580   5.065
   90   2HB   GLU  12          2HB       GLU  12  14.884   1.058   4.058
   91   1HG   GLU  12          1HG       GLU  12  14.309   2.713   2.382
   92   2HG   GLU  12          2HG       GLU  12  12.906   3.207   3.327
   93    H    TYR  13           H        TYR  13  11.462   1.882   1.923
   94    HA   TYR  13           HA       TYR  13  13.082   1.700  -0.479
   95   1HB   TYR  13          1HB       TYR  13  10.307   0.605  -0.182
   96   2HB   TYR  13          2HB       TYR  13  10.934   1.095  -1.756
   97    HD1  TYR  13           HD1      TYR  13  11.682  -1.071   1.165
   98    HD2  TYR  13           HD2      TYR  13  12.269  -0.345  -2.974
   99    HE1  TYR  13           HE1      TYR  13  12.852  -3.237   0.966
  100    HE2  TYR  13           HE2      TYR  13  13.415  -2.489  -3.217
  101    HH   TYR  13           HH       TYR  13  14.733  -4.061  -1.670
  102    H    ALA  14           H        ALA  14  13.163   3.924   0.661
  103    HA   ALA  14           HA       ALA  14  11.128   5.782   0.622
  104   1HB   ALA  14          1HB       ALA  14  13.999   5.829   0.800
  105   2HB   ALA  14          2HB       ALA  14  13.408   7.198  -0.141
  106   3HB   ALA  14          3HB       ALA  14  12.814   6.933   1.498
  107    H    VAL  15           H        VAL  15  10.199   7.100  -0.844
  108    HA   VAL  15           HA       VAL  15  11.225   7.408  -3.497
  109    HB   VAL  15           HB       VAL  15  10.168   5.115  -3.390
  110   1HG1  VAL  15          1HG1      VAL  15   7.659   6.767  -3.215
  111   2HG1  VAL  15          2HG1      VAL  15   7.689   5.133  -3.909
  112   3HG1  VAL  15          3HG1      VAL  15   8.163   5.378  -2.240
  113   1HG2  VAL  15          1HG2      VAL  15  10.240   7.104  -5.400
  114   2HG2  VAL  15          2HG2      VAL  15  10.348   5.363  -5.586
  115   3HG2  VAL  15          3HG2      VAL  15   8.774   6.154  -5.614
  116    H    ASP  16           H        ASP  16   8.765   7.865  -4.695
  117    HA   ASP  16           HA       ASP  16   7.373   9.897  -3.252
  118   1HB   ASP  16          1HB       ASP  16   8.524  10.623  -5.886
  119   2HB   ASP  16          2HB       ASP  16   7.935  11.682  -4.616
  120    H    ALA  17           H        ALA  17   5.606  10.683  -4.576
  121    HA   ALA  17           HA       ALA  17   4.911   8.931  -6.805
  122   1HB   ALA  17          1HB       ALA  17   4.138   8.382  -4.313
  123   2HB   ALA  17          2HB       ALA  17   2.815   9.456  -4.844
  124   3HB   ALA  17          3HB       ALA  17   3.185   7.979  -5.756
  125    H    GLN  18           H        GLN  18   2.441   9.674  -7.327
  126    HA   GLN  18           HA       GLN  18   2.315  12.592  -7.381
  127   1HB   GLN  18          1HB       GLN  18   1.983  10.944  -9.885
  128   2HB   GLN  18          2HB       GLN  18   1.931  12.695  -9.754
  129   1HG   GLN  18          1HG       GLN  18   4.359  11.050  -9.109
  130   2HG   GLN  18          2HG       GLN  18   4.038  11.758 -10.691
  131   1HE2  GLN  18          2HE2      GLN  18   6.067  12.864 -10.357
  132   2HE2  GLN  18          1HE2      GLN  18   6.099  14.319  -9.426
  133    H    ASP  19           H        ASP  19   0.273  13.374  -7.225
  134    HA   ASP  19           HA       ASP  19  -1.807  11.885  -6.257
  135   1HB   ASP  19          1HB       ASP  19  -2.634  14.060  -8.076
  136   2HB   ASP  19          2HB       ASP  19  -3.120  13.743  -6.431
  137    H    GLY  20           H        GLY  20  -2.494  10.069  -7.056
  138   1HA   GLY  20          1HA       GLY  20  -4.174   9.230  -8.690
  139   2HA   GLY  20          2HA       GLY  20  -3.162   9.965  -9.929
  140    H    GLN  21           H        GLN  21  -0.937   8.935  -7.836
  141    HA   GLN  21           HA       GLN  21  -0.680   6.340  -9.195
  142   1HB   GLN  21          1HB       GLN  21   1.380   8.068  -7.816
  143   2HB   GLN  21          2HB       GLN  21   1.709   6.468  -8.465
  144   1HG   GLN  21          1HG       GLN  21   1.450   7.177 -10.670
  145   2HG   GLN  21          2HG       GLN  21   0.603   8.646 -10.190
  146   1HE2  GLN  21          2HE2      GLN  21   3.214   8.020  -8.174
  147   2HE2  GLN  21          1HE2      GLN  21   4.345   9.093  -8.895
  148    H    SER  22           H        SER  22  -0.463   4.466  -8.017
  149    HA   SER  22           HA       SER  22  -1.309   4.674  -5.251
  150   1HB   SER  22          1HB       SER  22  -1.888   2.380  -5.384
  151   2HB   SER  22          2HB       SER  22  -2.282   3.029  -6.975
  152    HG   SER  22           HG       SER  22  -0.734   1.871  -7.840
  153    H    LEU  23           H        LEU  23  -0.287   3.098  -3.665
  154    HA   LEU  23           HA       LEU  23   2.562   3.623  -3.607
  155   1HB   LEU  23          1HB       LEU  23   2.454   3.209  -1.379
  156   2HB   LEU  23          2HB       LEU  23   0.766   3.589  -1.660
  157    HG   LEU  23           HG       LEU  23   2.038   0.924  -1.146
  158   1HD1  LEU  23          1HD1      LEU  23   0.974   2.560   0.596
  159   2HD1  LEU  23          2HD1      LEU  23  -0.550   1.931  -0.030
  160   3HD1  LEU  23          3HD1      LEU  23   0.632   0.832   0.683
  161   1HD2  LEU  23          1HD2      LEU  23   0.091   1.333  -3.124
  162   2HD2  LEU  23          2HD2      LEU  23   0.581  -0.197  -2.399
  163   3HD2  LEU  23          3HD2      LEU  23  -0.773   0.706  -1.722
  164    H    MET  24           H        MET  24   0.938   1.472  -5.296
  165    HA   MET  24           HA       MET  24   2.731  -0.780  -4.742
  166   1HB   MET  24          1HB       MET  24   1.025  -2.137  -5.297
  167   2HB   MET  24          2HB       MET  24  -0.004  -0.714  -5.291
  168   1HG   MET  24          1HG       MET  24   0.077  -0.499  -7.612
  169   2HG   MET  24          2HG       MET  24   1.497  -1.532  -7.753
  170   1HE   MET  24          1HE       MET  24   1.174  -3.442  -9.095
  171   2HE   MET  24          2HE       MET  24  -0.345  -4.292  -9.375
  172   3HE   MET  24          3HE       MET  24  -0.172  -2.609  -9.873
  173    H    GLU  25           H        GLU  25   1.676   1.534  -7.134
  174    HA   GLU  25           HA       GLU  25   3.392   0.540  -9.212
  175   1HB   GLU  25          1HB       GLU  25   1.265   1.748  -9.696
  176   2HB   GLU  25          2HB       GLU  25   1.982   3.210  -9.030
  177   1HG   GLU  25          1HG       GLU  25   2.170   3.380 -11.369
  178   2HG   GLU  25          2HG       GLU  25   3.782   2.990 -10.770
  179    H    VAL  26           H        VAL  26   3.598   3.150  -6.790
  180    HA   VAL  26           HA       VAL  26   5.851   4.413  -7.801
  181    HB   VAL  26           HB       VAL  26   6.082   3.790  -4.929
  182   1HG1  VAL  26          1HG1      VAL  26   6.320   6.124  -6.736
  183   2HG1  VAL  26          2HG1      VAL  26   6.249   6.339  -4.987
  184   3HG1  VAL  26          3HG1      VAL  26   7.506   5.354  -5.704
  185   1HG2  VAL  26          1HG2      VAL  26   3.640   3.970  -5.178
  186   2HG2  VAL  26          2HG2      VAL  26   4.394   5.213  -4.179
  187   3HG2  VAL  26          3HG2      VAL  26   3.887   5.592  -5.830
  188    H    ALA  27           H        ALA  27   5.627   1.711  -5.595
  189    HA   ALA  27           HA       ALA  27   7.998   0.827  -5.076
  190   1HB   ALA  27          1HB       ALA  27   5.534  -0.444  -5.420
  191   2HB   ALA  27          2HB       ALA  27   6.717  -1.441  -6.268
  192   3HB   ALA  27          3HB       ALA  27   6.945  -1.060  -4.557
  193    H    THR  28           H        THR  28   6.619  -0.585  -7.995
  194    HA   THR  28           HA       THR  28   8.929  -1.573  -9.071
  195    HB   THR  28           HB       THR  28   7.701  -2.075 -10.894
  196    HG1  THR  28           HG1      THR  28   6.488  -0.514 -12.045
  197   1HG2  THR  28          1HG2      THR  28   6.033  -2.243  -9.007
  198   2HG2  THR  28          2HG2      THR  28   5.364  -0.724  -9.603
  199   3HG2  THR  28          3HG2      THR  28   5.379  -2.150 -10.642
  200    H    GLN  29           H        GLN  29   7.773   1.698  -9.039
  201    HA   GLN  29           HA       GLN  29   9.720   2.658 -10.934
  202   1HB   GLN  29          1HB       GLN  29   8.108   4.290  -8.978
  203   2HB   GLN  29          2HB       GLN  29   8.882   4.858 -10.451
  204   1HG   GLN  29          1HG       GLN  29   7.183   2.786 -11.243
  205   2HG   GLN  29          2HG       GLN  29   6.269   3.739 -10.075
  206   1HE2  GLN  29          2HE2      GLN  29   5.225   3.793 -12.443
  207   2HE2  GLN  29          1HE2      GLN  29   5.573   5.249 -13.304
  208    H    ASN  30           H        ASN  30   9.500   2.318  -7.489
  209    HA   ASN  30           HA       ASN  30  11.911   3.862  -6.984
  210   1HB   ASN  30          1HB       ASN  30  10.836   2.227  -4.796
  211   2HB   ASN  30          2HB       ASN  30  11.191   3.935  -4.830
  212   1HD2  ASN  30          2HD2      ASN  30   8.816   2.427  -3.850
  213   2HD2  ASN  30          1HD2      ASN  30   7.486   3.113  -4.651
  214    H    GLY  31           H        GLY  31  11.490   0.940  -8.263
  215   1HA   GLY  31          1HA       GLY  31  13.050  -0.765  -8.582
  216   2HA   GLY  31          2HA       GLY  31  14.066  -0.024  -7.351
  217    H    VAL  32           H        VAL  32  11.139  -0.096  -6.007
  218    HA   VAL  32           HA       VAL  32  11.619  -1.891  -4.018
  219    HB   VAL  32           HB       VAL  32   8.894  -1.309  -5.105
  220   1HG1  VAL  32          1HG1      VAL  32   9.873  -1.717  -2.304
  221   2HG1  VAL  32          2HG1      VAL  32   8.244  -1.191  -2.745
  222   3HG1  VAL  32          3HG1      VAL  32   8.810  -2.784  -3.237
  223   1HG2  VAL  32          1HG2      VAL  32  10.772   0.511  -3.670
  224   2HG2  VAL  32          2HG2      VAL  32   9.802   0.823  -5.111
  225   3HG2  VAL  32          3HG2      VAL  32   9.023   0.706  -3.532
  226    HA   PRO  33           HA       PRO  33  11.110  -5.904  -5.701
  227   1HB   PRO  33          1HB       PRO  33   9.946  -6.860  -3.185
  228   2HB   PRO  33          2HB       PRO  33  11.543  -7.177  -3.872
  229   1HG   PRO  33          1HG       PRO  33  11.261  -5.629  -1.686
  230   2HG   PRO  33          2HG       PRO  33  12.477  -5.263  -2.929
  231   1HD   PRO  33          1HD       PRO  33   9.725  -4.120  -2.598
  232   2HD   PRO  33          2HD       PRO  33  11.251  -3.255  -2.781
  233    H    GLY  34           H        GLY  34   8.498  -4.061  -5.446
  234   1HA   GLY  34          1HA       GLY  34   6.203  -4.375  -5.704
  235   2HA   GLY  34          2HA       GLY  34   6.792  -5.315  -7.067
  236    H    ILE  35           H        ILE  35   6.144  -5.581  -3.597
  237    HA   ILE  35           HA       ILE  35   6.015  -8.417  -3.594
  238    HB   ILE  35           HB       ILE  35   4.807  -6.528  -1.576
  239   1HG1  ILE  35          1HG1      ILE  35   7.282  -6.200  -2.138
  240   2HG1  ILE  35          2HG1      ILE  35   6.881  -6.479  -0.449
  241   1HG2  ILE  35          1HG2      ILE  35   5.065  -9.422  -1.761
  242   2HG2  ILE  35          2HG2      ILE  35   5.730  -8.761  -0.267
  243   3HG2  ILE  35          3HG2      ILE  35   4.052  -8.438  -0.703
  244   1HD1  ILE  35          1HD1      ILE  35   7.661  -8.757  -2.214
  245   2HD1  ILE  35          2HD1      ILE  35   8.883  -7.715  -1.489
  246   3HD1  ILE  35          3HD1      ILE  35   7.768  -8.612  -0.460
  247    H    VAL  36           H        VAL  36   4.485  -7.989  -5.675
  248    HA   VAL  36           HA       VAL  36   2.296  -9.412  -5.606
  249    HB   VAL  36           HB       VAL  36   1.246  -8.373  -3.762
  250   1HG1  VAL  36          1HG1      VAL  36   2.427  -5.981  -4.824
  251   2HG1  VAL  36          2HG1      VAL  36   0.712  -5.725  -4.506
  252   3HG1  VAL  36          3HG1      VAL  36   1.773  -6.287  -3.214
  253   1HG2  VAL  36          1HG2      VAL  36  -0.092  -8.782  -5.966
  254   2HG2  VAL  36          2HG2      VAL  36  -0.853  -7.949  -4.611
  255   3HG2  VAL  36          3HG2      VAL  36  -0.232  -7.024  -5.978
  256    H    ALA  37           H        ALA  37   1.164  -9.399  -7.506
  257    HA   ALA  37           HA       ALA  37   0.713  -7.202  -9.171
  258   1HB   ALA  37          1HB       ALA  37   3.260  -8.693  -9.739
  259   2HB   ALA  37          2HB       ALA  37   2.402  -7.777 -10.977
  260   3HB   ALA  37          3HB       ALA  37   3.026  -6.956  -9.547
  261    H    GLU  38           H        GLU  38  -0.858  -9.270  -8.436
  262    HA   GLU  38           HA       GLU  38  -0.879 -11.332 -10.455
  263   1HB   GLU  38          1HB       GLU  38  -1.960 -11.031  -7.880
  264   2HB   GLU  38          2HB       GLU  38  -3.342 -11.123  -8.962
  265   1HG   GLU  38          1HG       GLU  38  -3.045 -13.297  -9.341
  266   2HG   GLU  38          2HG       GLU  38  -1.304 -13.113  -9.550
  267    H    CYS  39           H        CYS  39  -3.247  -8.856  -9.466
  268    HA   CYS  39           HA       CYS  39  -4.465  -8.994 -12.116
  269   1HB   CYS  39          1HB       CYS  39  -6.360  -7.988 -11.180
  270   2HB   CYS  39          2HB       CYS  39  -5.760  -9.003  -9.876
  271    H    GLY  40           H        GLY  40  -2.749  -6.780 -10.000
  272   1HA   GLY  40          1HA       GLY  40  -2.124  -4.562 -10.325
  273   2HA   GLY  40          2HA       GLY  40  -1.356  -5.312 -11.713
  274    H    GLY  41           H        GLY  41  -4.624  -4.186 -10.793
  275   1HA   GLY  41          1HA       GLY  41  -5.583  -2.260 -11.905
  276   2HA   GLY  41          2HA       GLY  41  -4.683  -2.707 -13.343
  277    H    SER  42           H        SER  42  -5.624  -5.606 -12.512
  278    HA   SER  42           HA       SER  42  -7.972  -5.496 -14.218
  279   1HB   SER  42          1HB       SER  42  -6.159  -7.227 -14.506
  280   2HB   SER  42          2HB       SER  42  -6.705  -7.952 -12.997
  281    HG   SER  42           HG       SER  42  -8.869  -7.678 -14.373
  282    H    CYS  43           H        CYS  43  -7.248  -5.645 -10.886
  283    HA   CYS  43           HA       CYS  43  -8.515  -5.883  -9.009
  284   1HB   CYS  43          1HB       CYS  43  -9.775  -4.041 -10.019
  285   2HB   CYS  43          2HB       CYS  43 -10.751  -5.190 -10.931
  286    HG   CYS  43           HG       CYS  43 -11.448  -4.225  -8.258
  287    H    VAL  44           H        VAL  44  -7.846  -8.262  -9.623
  288    HA   VAL  44           HA       VAL  44 -10.296  -9.855  -9.373
  289    HB   VAL  44           HB       VAL  44  -9.600 -11.512 -10.919
  290   1HG1  VAL  44          1HG1      VAL  44 -10.510  -9.253 -11.780
  291   2HG1  VAL  44          2HG1      VAL  44  -8.876  -9.010 -12.396
  292   3HG1  VAL  44          3HG1      VAL  44  -9.826 -10.392 -12.939
  293   1HG2  VAL  44          1HG2      VAL  44  -6.970 -10.116 -10.770
  294   2HG2  VAL  44          2HG2      VAL  44  -7.340 -11.840 -10.696
  295   3HG2  VAL  44          3HG2      VAL  44  -7.391 -10.993 -12.242
  296    H    CYS  45           H        CYS  45  -7.625  -8.922  -7.884
  297    HA   CYS  45           HA       CYS  45  -7.303 -11.512  -6.533
  298   1HB   CYS  45          1HB       CYS  45  -5.032 -11.513  -6.672
  299   2HB   CYS  45          2HB       CYS  45  -5.352 -10.571  -8.120
  300    H    ALA  46           H        ALA  46  -5.870 -11.001  -4.418
  301    HA   ALA  46           HA       ALA  46  -6.648  -8.510  -3.156
  302   1HB   ALA  46          1HB       ALA  46  -8.255 -10.824  -2.846
  303   2HB   ALA  46          2HB       ALA  46  -7.434 -10.527  -1.314
  304   3HB   ALA  46          3HB       ALA  46  -8.417  -9.260  -2.049
  305    H    THR  47           H        THR  47  -4.254 -10.326  -3.836
  306    HA   THR  47           HA       THR  47  -3.122 -10.788  -1.195
  307    HB   THR  47           HB       THR  47  -1.571 -11.147  -3.728
  308    HG1  THR  47           HG1      THR  47  -3.537 -12.973  -2.815
  309   1HG2  THR  47          1HG2      THR  47  -1.153 -11.871  -1.077
  310   2HG2  THR  47          2HG2      THR  47  -1.606 -13.365  -1.899
  311   3HG2  THR  47          3HG2      THR  47  -0.245 -12.411  -2.491
  312    H    CYS  48           H        CYS  48  -3.656  -8.089  -2.608
  313    HA   CYS  48           HA       CYS  48  -0.941  -6.980  -2.411
  314   1HB   CYS  48          1HB       CYS  48  -1.774  -5.079  -3.669
  315   2HB   CYS  48          2HB       CYS  48  -2.186  -6.564  -4.518
  316    H    ARG  49           H        ARG  49  -2.242  -7.662  -0.035
  317    HA   ARG  49           HA       ARG  49  -3.484  -5.304   1.062
  318   1HB   ARG  49          1HB       ARG  49  -2.714  -7.020   3.174
  319   2HB   ARG  49          2HB       ARG  49  -4.321  -6.771   2.511
  320   1HG   ARG  49          1HG       ARG  49  -3.858  -8.552   0.852
  321   2HG   ARG  49          2HG       ARG  49  -2.312  -8.841   1.654
  322   1HD   ARG  49          1HD       ARG  49  -5.045  -9.088   2.909
  323   2HD   ARG  49          2HD       ARG  49  -4.005 -10.423   2.417
  324    HE   ARG  49           HE       ARG  49  -2.868  -8.577   4.343
  325   1HH1  ARG  49          1HH1      ARG  49  -4.557 -11.572   3.791
  326   2HH1  ARG  49          2HH1      ARG  49  -4.133 -12.245   5.330
  327   1HH2  ARG  49          1HH2      ARG  49  -2.308  -9.451   6.374
  328   2HH2  ARG  49          2HH2      ARG  49  -2.855 -11.038   6.799
  329    H    ILE  50           H        ILE  50  -1.278  -4.264   0.205
  330    HA   ILE  50           HA       ILE  50   1.049  -4.442   1.732
  331    HB   ILE  50           HB       ILE  50   0.583  -3.119  -0.462
  332   1HG1  ILE  50          1HG1      ILE  50   2.380  -1.385   0.948
  333   2HG1  ILE  50          2HG1      ILE  50   2.611  -3.036   1.516
  334   1HG2  ILE  50          1HG2      ILE  50  -1.115  -1.642   0.593
  335   2HG2  ILE  50          2HG2      ILE  50   0.179  -0.904   1.537
  336   3HG2  ILE  50          3HG2      ILE  50   0.185  -0.772  -0.222
  337   1HD1  ILE  50          1HD1      ILE  50   2.602  -2.297  -1.392
  338   2HD1  ILE  50          2HD1      ILE  50   4.059  -2.322  -0.398
  339   3HD1  ILE  50          3HD1      ILE  50   3.138  -3.804  -0.650
  340    H    GLU  51           H        GLU  51   1.819  -2.352   3.033
  341    HA   GLU  51           HA       GLU  51  -0.335  -1.623   4.893
  342   1HB   GLU  51          1HB       GLU  51   2.163  -3.095   5.473
  343   2HB   GLU  51          2HB       GLU  51   1.703  -1.852   6.627
  344   1HG   GLU  51          1HG       GLU  51  -0.054  -3.022   7.398
  345   2HG   GLU  51          2HG       GLU  51  -0.446  -3.689   5.813
  346    H    ILE  52           H        ILE  52  -0.503   0.490   5.013
  347    HA   ILE  52           HA       ILE  52   1.548   2.324   4.217
  348    HB   ILE  52           HB       ILE  52  -1.031   2.762   5.755
  349   1HG1  ILE  52          1HG1      ILE  52  -1.096   1.817   3.366
  350   2HG1  ILE  52          2HG1      ILE  52  -2.078   3.237   3.715
  351   1HG2  ILE  52          1HG2      ILE  52   1.122   4.576   5.110
  352   2HG2  ILE  52          2HG2      ILE  52  -0.402   5.101   4.396
  353   3HG2  ILE  52          3HG2      ILE  52  -0.296   4.821   6.132
  354   1HD1  ILE  52          1HD1      ILE  52   0.670   3.423   2.540
  355   2HD1  ILE  52          2HD1      ILE  52  -0.790   3.265   1.556
  356   3HD1  ILE  52          3HD1      ILE  52  -0.584   4.665   2.611
  357    H    GLU  53           H        GLU  53   2.865   3.705   5.674
  358    HA   GLU  53           HA       GLU  53   3.662   2.336   8.024
  359   1HB   GLU  53          1HB       GLU  53   4.886   4.279   8.692
  360   2HB   GLU  53          2HB       GLU  53   4.954   4.210   6.935
  361   1HG   GLU  53          1HG       GLU  53   3.360   5.999   8.683
  362   2HG   GLU  53          2HG       GLU  53   4.511   6.426   7.441
  363    H    ASP  54           H        ASP  54   3.453   3.610  10.341
  364    HA   ASP  54           HA       ASP  54   0.570   3.627  10.761
  365   1HB   ASP  54          1HB       ASP  54   1.223   3.647  13.223
  366   2HB   ASP  54          2HB       ASP  54   1.675   2.213  12.308
  367    H    ALA  55           H        ALA  55   2.009   5.850   9.545
  368    HA   ALA  55           HA       ALA  55   1.297   7.989  11.436
  369   1HB   ALA  55          1HB       ALA  55   3.672   7.577   9.970
  370   2HB   ALA  55          2HB       ALA  55   2.851   8.952   9.230
  371   3HB   ALA  55          3HB       ALA  55   3.236   8.974  10.954
  372    H    TRP  56           H        TRP  56   1.024   6.697   8.237
  373    HA   TRP  56           HA       TRP  56  -0.669   8.919   7.427
  374   1HB   TRP  56          1HB       TRP  56   0.706   6.797   5.832
  375   2HB   TRP  56          2HB       TRP  56  -0.195   8.142   5.167
  376    HD1  TRP  56           HD1      TRP  56   2.708   7.671   7.654
  377    HE1  TRP  56           HE1      TRP  56   4.410   9.520   7.272
  378    HE3  TRP  56           HE3      TRP  56   0.206  10.229   3.993
  379    HZ2  TRP  56           HZ2      TRP  56   4.655  11.810   5.658
  380    HZ3  TRP  56           HZ3      TRP  56   1.289  12.242   3.072
  381    HH2  TRP  56           HH2      TRP  56   3.441  13.019   3.876
  382    H    VAL  57           H        VAL  57  -1.245   5.921   8.655
  383    HA   VAL  57           HA       VAL  57  -3.134   4.943   6.824
  384    HB   VAL  57           HB       VAL  57  -3.137   4.640   9.825
  385   1HG1  VAL  57          1HG1      VAL  57  -5.172   4.077   8.374
  386   2HG1  VAL  57          2HG1      VAL  57  -4.199   2.720   7.801
  387   3HG1  VAL  57          3HG1      VAL  57  -4.592   2.862   9.516
  388   1HG2  VAL  57          1HG2      VAL  57  -1.078   4.098   8.315
  389   2HG2  VAL  57          2HG2      VAL  57  -1.562   3.007   9.616
  390   3HG2  VAL  57          3HG2      VAL  57  -2.008   2.644   7.946
  391    H    GLU  58           H        GLU  58  -3.199   7.201   9.479
  392    HA   GLU  58           HA       GLU  58  -6.038   7.663   9.279
  393   1HB   GLU  58          1HB       GLU  58  -4.088   9.465  10.706
  394   2HB   GLU  58          2HB       GLU  58  -5.786   9.189  11.068
  395   1HG   GLU  58          1HG       GLU  58  -5.366   7.358  12.299
  396   2HG   GLU  58          2HG       GLU  58  -4.060   6.818  11.246
  397    H    ILE  59           H        ILE  59  -3.377   8.446   7.505
  398    HA   ILE  59           HA       ILE  59  -4.386  11.068   6.609
  399    HB   ILE  59           HB       ILE  59  -1.787   9.627   6.236
  400   1HG1  ILE  59          1HG1      ILE  59  -1.999  12.536   6.665
  401   2HG1  ILE  59          2HG1      ILE  59  -2.511  11.510   7.998
  402   1HG2  ILE  59          1HG2      ILE  59  -3.023  11.560   4.354
  403   2HG2  ILE  59          2HG2      ILE  59  -1.298  11.713   4.687
  404   3HG2  ILE  59          3HG2      ILE  59  -1.939  10.204   4.036
  405   1HD1  ILE  59          1HD1      ILE  59   0.028  10.742   6.808
  406   2HD1  ILE  59          2HD1      ILE  59   0.022  12.351   7.532
  407   3HD1  ILE  59          3HD1      ILE  59  -0.426  10.950   8.499
  408    H    VAL  60           H        VAL  60  -3.643   7.822   5.616
  409    HA   VAL  60           HA       VAL  60  -4.620   8.261   2.925
  410    HB   VAL  60           HB       VAL  60  -3.575   5.702   4.131
  411   1HG1  VAL  60          1HG1      VAL  60  -4.427   6.557   1.459
  412   2HG1  VAL  60          2HG1      VAL  60  -2.880   5.711   1.509
  413   3HG1  VAL  60          3HG1      VAL  60  -4.326   4.941   2.159
  414   1HG2  VAL  60          1HG2      VAL  60  -2.151   8.144   3.649
  415   2HG2  VAL  60          2HG2      VAL  60  -1.536   6.588   4.217
  416   3HG2  VAL  60          3HG2      VAL  60  -1.620   6.922   2.490
  417    H    GLY  61           H        GLY  61  -5.150   5.358   4.913
  418   1HA   GLY  61          1HA       GLY  61  -7.145   4.044   4.707
  419   2HA   GLY  61          2HA       GLY  61  -7.509   5.252   5.927
  420    H    GLU  62           H        GLU  62  -7.312   5.372   2.378
  421    HA   GLU  62           HA       GLU  62  -9.754   6.931   2.302
  422   1HB   GLU  62          1HB       GLU  62  -7.694   6.169   0.262
  423   2HB   GLU  62          2HB       GLU  62  -9.188   6.978  -0.191
  424   1HG   GLU  62          1HG       GLU  62  -8.090   8.444   1.947
  425   2HG   GLU  62          2HG       GLU  62  -6.771   8.098   0.830
  426    H    ALA  63           H        ALA  63  -8.875   3.680   1.893
  427    HA   ALA  63           HA       ALA  63 -10.487   2.734  -0.096
  428   1HB   ALA  63          1HB       ALA  63  -9.844   1.491   2.547
  429   2HB   ALA  63          2HB       ALA  63 -10.865   0.676   1.361
  430   3HB   ALA  63          3HB       ALA  63  -9.192   1.100   0.956
  431    H    ASN  64           H        ASN  64 -12.568   1.765  -0.101
  432    HA   ASN  64           HA       ASN  64 -14.511   3.253   1.435
  433   1HB   ASN  64          1HB       ASN  64 -15.945   1.584  -0.202
  434   2HB   ASN  64          2HB       ASN  64 -15.446   3.208  -0.640
  435   1HD2  ASN  64          2HD2      ASN  64 -14.133  -0.084  -0.592
  436   2HD2  ASN  64          1HD2      ASN  64 -13.383   0.011  -2.146
  437    HA   PRO  65           HA       PRO  65 -15.686  -0.220   3.890
  438   1HB   PRO  65          1HB       PRO  65 -18.496  -0.113   3.306
  439   2HB   PRO  65          2HB       PRO  65 -17.651   0.586   4.687
  440   1HG   PRO  65          1HG       PRO  65 -18.870   2.048   2.679
  441   2HG   PRO  65          2HG       PRO  65 -17.597   2.661   3.748
  442   1HD   PRO  65          1HD       PRO  65 -17.389   1.664   0.936
  443   2HD   PRO  65          2HD       PRO  65 -16.505   2.983   1.727
  444    H    ASP  66           H        ASP  66 -15.562  -0.491   0.714
  445    HA   ASP  66           HA       ASP  66 -17.102  -2.942   0.393
  446   1HB   ASP  66          1HB       ASP  66 -15.860  -0.955  -1.415
  447   2HB   ASP  66          2HB       ASP  66 -15.846  -2.624  -1.980
  448    H    GLU  67           H        GLU  67 -13.785  -1.919  -0.416
  449    HA   GLU  67           HA       GLU  67 -12.769  -4.510  -0.701
  450   1HB   GLU  67          1HB       GLU  67 -10.544  -3.486  -0.518
  451   2HB   GLU  67          2HB       GLU  67 -11.599  -2.578  -1.589
  452   1HG   GLU  67          1HG       GLU  67 -12.071  -1.223   0.634
  453   2HG   GLU  67          2HG       GLU  67 -10.471  -1.840   1.046
  454    H    ASN  68           H        ASN  68 -13.369  -2.622   2.138
  455    HA   ASN  68           HA       ASN  68 -11.657  -4.096   3.888
  456   1HB   ASN  68          1HB       ASN  68 -12.336  -1.861   4.519
  457   2HB   ASN  68          2HB       ASN  68 -14.038  -2.311   4.442
  458   1HD2  ASN  68          2HD2      ASN  68 -11.294  -4.033   5.855
  459   2HD2  ASN  68          1HD2      ASN  68 -11.917  -4.062   7.466
  460    H    ASP  69           H        ASP  69 -15.046  -4.302   2.944
  461    HA   ASP  69           HA       ASP  69 -15.590  -6.491   4.751
  462   1HB   ASP  69          1HB       ASP  69 -17.240  -4.672   3.844
  463   2HB   ASP  69          2HB       ASP  69 -17.367  -5.738   2.448
  464    H    LEU  70           H        LEU  70 -14.685  -6.021   1.426
  465    HA   LEU  70           HA       LEU  70 -15.284  -8.645   0.507
  466   1HB   LEU  70          1HB       LEU  70 -15.029  -7.345  -1.322
  467   2HB   LEU  70          2HB       LEU  70 -13.927  -6.249  -0.515
  468    HG   LEU  70           HG       LEU  70 -12.150  -8.065  -0.822
  469   1HD1  LEU  70          1HD1      LEU  70 -14.319  -9.532  -1.714
  470   2HD1  LEU  70          2HD1      LEU  70 -13.460  -9.093  -3.190
  471   3HD1  LEU  70          3HD1      LEU  70 -12.617  -9.952  -1.900
  472   1HD2  LEU  70          1HD2      LEU  70 -12.860  -5.916  -2.324
  473   2HD2  LEU  70          2HD2      LEU  70 -11.427  -6.907  -2.602
  474   3HD2  LEU  70          3HD2      LEU  70 -12.901  -7.209  -3.524
  475    H    LEU  71           H        LEU  71 -12.745  -7.266   2.360
  476    HA   LEU  71           HA       LEU  71 -10.885  -9.440   1.854
  477   1HB   LEU  71          1HB       LEU  71 -10.579  -6.802   2.602
  478   2HB   LEU  71          2HB       LEU  71 -10.296  -7.668   4.101
  479    HG   LEU  71           HG       LEU  71  -8.515  -8.962   3.048
  480   1HD1  LEU  71          1HD1      LEU  71  -9.756  -8.468   0.698
  481   2HD1  LEU  71          2HD1      LEU  71  -8.431  -7.307   0.622
  482   3HD1  LEU  71          3HD1      LEU  71  -8.088  -9.022   0.843
  483   1HD2  LEU  71          1HD2      LEU  71  -8.251  -6.547   3.992
  484   2HD2  LEU  71          2HD2      LEU  71  -6.913  -7.309   3.132
  485   3HD2  LEU  71          3HD2      LEU  71  -7.933  -6.130   2.308
  486    H    GLN  72           H        GLN  72 -12.876  -8.195   4.502
  487    HA   GLN  72           HA       GLN  72 -12.155  -9.911   6.532
  488   1HB   GLN  72          1HB       GLN  72 -14.544  -8.332   5.854
  489   2HB   GLN  72          2HB       GLN  72 -14.850  -9.691   6.927
  490   1HG   GLN  72          1HG       GLN  72 -14.442  -7.837   8.310
  491   2HG   GLN  72          2HG       GLN  72 -12.981  -8.819   8.372
  492   1HE2  GLN  72          2HE2      GLN  72 -11.213  -8.165   6.932
  493   2HE2  GLN  72          1HE2      GLN  72 -10.973  -6.480   6.636
  494    H    SER  73           H        SER  73 -14.281 -10.500   3.798
  495    HA   SER  73           HA       SER  73 -15.227 -13.028   4.729
  496   1HB   SER  73          1HB       SER  73 -15.813 -11.278   2.581
  497   2HB   SER  73          2HB       SER  73 -15.375 -12.831   1.870
  498    HG   SER  73           HG       SER  73 -17.242 -12.552   3.984
  499    H    THR  74           H        THR  74 -12.399 -11.978   3.032
  500    HA   THR  74           HA       THR  74 -11.661 -14.207   1.595
  501    HB   THR  74           HB       THR  74  -9.368 -13.477   1.818
  502    HG1  THR  74           HG1      THR  74  -9.085 -11.611   3.354
  503   1HG2  THR  74          1HG2      THR  74 -11.404 -11.315   1.597
  504   2HG2  THR  74          2HG2      THR  74  -9.687 -10.914   1.602
  505   3HG2  THR  74          3HG2      THR  74 -10.338 -11.990   0.366
  506    H    GLY  75           H        GLY  75 -10.729 -13.530   4.979
  507   1HA   GLY  75          1HA       GLY  75 -11.076 -15.370   6.595
  508   2HA   GLY  75          2HA       GLY  75 -10.472 -16.452   5.351
  509    H    GLU  76           H        GLU  76  -8.608 -13.877   4.925
  510    HA   GLU  76           HA       GLU  76  -6.457 -15.004   6.535
  511   1HB   GLU  76          1HB       GLU  76  -6.068 -12.671   4.707
  512   2HB   GLU  76          2HB       GLU  76  -4.971 -13.996   5.075
  513   1HG   GLU  76          1HG       GLU  76  -6.957 -15.345   3.856
  514   2HG   GLU  76          2HG       GLU  76  -7.077 -13.788   3.036
  515    HA   PRO  77           HA       PRO  77  -6.814 -12.078   9.830
  516   1HB   PRO  77          1HB       PRO  77  -4.073 -11.975  10.384
  517   2HB   PRO  77          2HB       PRO  77  -5.229 -13.112  11.082
  518   1HG   PRO  77          1HG       PRO  77  -3.344 -13.483   8.800
  519   2HG   PRO  77          2HG       PRO  77  -3.840 -14.639  10.050
  520   1HD   PRO  77          1HD       PRO  77  -4.823 -14.779   7.566
  521   2HD   PRO  77          2HD       PRO  77  -5.845 -15.125   8.977
  522    H    MET  78           H        MET  78  -5.574 -10.024  10.556
  523    HA   MET  78           HA       MET  78  -4.343  -8.551   8.381
  524   1HB   MET  78          1HB       MET  78  -7.037  -7.846   9.526
  525   2HB   MET  78          2HB       MET  78  -6.009  -6.637   8.771
  526   1HG   MET  78          1HG       MET  78  -6.085  -7.767   6.677
  527   2HG   MET  78          2HG       MET  78  -6.890  -9.160   7.398
  528   1HE   MET  78          1HE       MET  78  -6.949  -5.849   5.912
  529   2HE   MET  78          2HE       MET  78  -8.641  -5.376   5.753
  530   3HE   MET  78          3HE       MET  78  -7.773  -5.056   7.254
  531    H    THR  79           H        THR  79  -4.322  -6.045   9.332
  532    HA   THR  79           HA       THR  79  -3.685  -6.026  12.153
  533    HB   THR  79           HB       THR  79  -1.421  -5.780  12.049
  534    HG1  THR  79           HG1      THR  79  -1.271  -5.036   9.366
  535   1HG2  THR  79          1HG2      THR  79  -2.080  -7.335   9.578
  536   2HG2  THR  79          2HG2      THR  79  -0.417  -7.059  10.096
  537   3HG2  THR  79          3HG2      THR  79  -1.536  -7.926  11.148
  538    H    ALA  80           H        ALA  80  -2.228  -3.663  12.230
  539    HA   ALA  80           HA       ALA  80  -4.320  -1.759  11.554
  540   1HB   ALA  80          1HB       ALA  80  -1.867  -1.600  13.279
  541   2HB   ALA  80          2HB       ALA  80  -2.845  -0.184  12.894
  542   3HB   ALA  80          3HB       ALA  80  -3.561  -1.539  13.767
  543    H    GLY  81           H        GLY  81  -4.128  -0.066  10.170
  544   1HA   GLY  81          1HA       GLY  81  -3.172   1.375   8.636
  545   2HA   GLY  81          2HA       GLY  81  -1.602   0.676   8.996
  546    H    THR  82           H        THR  82  -3.213  -1.998   8.424
  547    HA   THR  82           HA       THR  82  -2.112  -2.535   5.934
  548    HB   THR  82           HB       THR  82  -4.670  -3.894   6.578
  549    HG1  THR  82           HG1      THR  82  -3.200  -5.065   8.219
  550   1HG2  THR  82          1HG2      THR  82  -2.050  -4.597   5.472
  551   2HG2  THR  82          2HG2      THR  82  -2.758  -5.802   6.548
  552   3HG2  THR  82          3HG2      THR  82  -3.649  -5.255   5.127
  553    H    ARG  83           H        ARG  83  -2.912  -2.544   3.825
  554    HA   ARG  83           HA       ARG  83  -5.563  -1.609   3.233
  555   1HB   ARG  83          1HB       ARG  83  -3.347   0.274   3.351
  556   2HB   ARG  83          2HB       ARG  83  -4.103   0.245   1.765
  557   1HG   ARG  83          1HG       ARG  83  -5.524   0.704   4.377
  558   2HG   ARG  83          2HG       ARG  83  -5.082   1.947   3.208
  559   1HD   ARG  83          1HD       ARG  83  -6.478   0.739   1.519
  560   2HD   ARG  83          2HD       ARG  83  -7.031  -0.315   2.811
  561    HE   ARG  83           HE       ARG  83  -8.016   2.227   2.229
  562   1HH1  ARG  83          1HH1      ARG  83  -7.188   0.183   4.923
  563   2HH1  ARG  83          2HH1      ARG  83  -8.229   1.002   6.036
  564   1HH2  ARG  83          1HH2      ARG  83  -9.408   3.310   3.690
  565   2HH2  ARG  83          2HH2      ARG  83  -9.494   2.775   5.335
  566    H    LEU  84           H        LEU  84  -5.681  -1.121   0.755
  567    HA   LEU  84           HA       LEU  84  -4.525  -3.433  -0.564
  568   1HB   LEU  84          1HB       LEU  84  -6.545  -1.373  -1.429
  569   2HB   LEU  84          2HB       LEU  84  -5.978  -2.658  -2.476
  570    HG   LEU  84           HG       LEU  84  -8.219  -2.865  -1.079
  571   1HD1  LEU  84          1HD1      LEU  84  -6.191  -4.917  -1.829
  572   2HD1  LEU  84          2HD1      LEU  84  -7.650  -5.410  -0.972
  573   3HD1  LEU  84          3HD1      LEU  84  -7.777  -4.590  -2.528
  574   1HD2  LEU  84          1HD2      LEU  84  -7.072  -2.523   1.082
  575   2HD2  LEU  84          2HD2      LEU  84  -7.915  -4.070   0.988
  576   3HD2  LEU  84          3HD2      LEU  84  -6.161  -4.009   0.804
  577    H    SER  85           H        SER  85  -2.775  -3.359  -1.802
  578    HA   SER  85           HA       SER  85  -1.213  -1.065  -2.098
  579   1HB   SER  85          1HB       SER  85  -0.923  -3.801  -2.614
  580   2HB   SER  85          2HB       SER  85  -0.636  -3.005  -4.161
  581    HG   SER  85           HG       SER  85   1.272  -2.634  -3.366
  582    H    CYS  86           H        CYS  86  -3.302  -2.689  -4.493
  583    HA   CYS  86           HA       CYS  86  -2.812  -0.539  -6.393
  584   1HB   CYS  86          1HB       CYS  86  -3.827  -1.893  -8.027
  585   2HB   CYS  86          2HB       CYS  86  -2.928  -3.015  -7.012
  586    H    GLN  87           H        GLN  87  -4.552  -0.379  -3.823
  587    HA   GLN  87           HA       GLN  87  -6.911   0.764  -5.173
  588   1HB   GLN  87          1HB       GLN  87  -6.923  -1.246  -3.311
  589   2HB   GLN  87          2HB       GLN  87  -7.216   0.175  -2.317
  590   1HG   GLN  87          1HG       GLN  87  -9.352  -0.054  -2.864
  591   2HG   GLN  87          2HG       GLN  87  -8.902   0.537  -4.465
  592   1HE2  GLN  87          2HE2      GLN  87 -10.523  -1.814  -2.916
  593   2HE2  GLN  87          1HE2      GLN  87 -10.423  -3.080  -4.086
  594    H    VAL  88           H        VAL  88  -4.231   1.331  -3.127
  595    HA   VAL  88           HA       VAL  88  -5.297   3.829  -2.079
  596    HB   VAL  88           HB       VAL  88  -2.779   2.257  -1.606
  597   1HG1  VAL  88          1HG1      VAL  88  -3.007   5.100  -1.534
  598   2HG1  VAL  88          2HG1      VAL  88  -2.766   4.487   0.102
  599   3HG1  VAL  88          3HG1      VAL  88  -1.615   4.082  -1.173
  600   1HG2  VAL  88          1HG2      VAL  88  -5.141   3.101   0.031
  601   2HG2  VAL  88          2HG2      VAL  88  -4.484   1.484  -0.233
  602   3HG2  VAL  88          3HG2      VAL  88  -3.624   2.629   0.798
  603    H    PHE  89           H        PHE  89  -4.994   5.715  -3.114
  604    HA   PHE  89           HA       PHE  89  -2.727   5.910  -4.973
  605   1HB   PHE  89          1HB       PHE  89  -5.555   6.847  -5.414
  606   2HB   PHE  89          2HB       PHE  89  -4.195   7.344  -6.421
  607    HD1  PHE  89           HD1      PHE  89  -5.465   4.157  -4.974
  608    HD2  PHE  89           HD2      PHE  89  -4.033   6.233  -8.405
  609    HE1  PHE  89           HE1      PHE  89  -5.713   2.102  -6.308
  610    HE2  PHE  89           HE2      PHE  89  -4.285   4.183  -9.760
  611    HZ   PHE  89           HZ       PHE  89  -5.125   2.112  -8.710
  612    H    ILE  90           H        ILE  90  -1.949   7.979  -5.433
  613    HA   ILE  90           HA       ILE  90  -1.652   9.615  -3.147
  614    HB   ILE  90           HB       ILE  90  -0.721   9.930  -5.996
  615   1HG1  ILE  90          1HG1      ILE  90  -0.009   7.983  -4.372
  616   2HG1  ILE  90          2HG1      ILE  90   1.193   8.810  -5.361
  617   1HG2  ILE  90          1HG2      ILE  90  -0.274  11.573  -3.560
  618   2HG2  ILE  90          2HG2      ILE  90   1.058  11.319  -4.686
  619   3HG2  ILE  90          3HG2      ILE  90  -0.428  12.079  -5.238
  620   1HD1  ILE  90          1HD1      ILE  90   1.715  10.285  -3.438
  621   2HD1  ILE  90          2HD1      ILE  90   0.572   9.339  -2.470
  622   3HD1  ILE  90          3HD1      ILE  90   2.017   8.567  -3.116
  623    H    ASP  91           H        ASP  91  -2.019  11.861  -2.996
  624    HA   ASP  91           HA       ASP  91  -3.526  13.452  -4.705
  625   1HB   ASP  91          1HB       ASP  91  -5.699  13.125  -4.048
  626   2HB   ASP  91          2HB       ASP  91  -5.117  11.564  -3.491
  627    HA   PRO  92           HA       PRO  92  -1.871  16.372  -1.786
  628   1HB   PRO  92          1HB       PRO  92  -4.430  17.838  -1.581
  629   2HB   PRO  92          2HB       PRO  92  -2.873  18.386  -2.214
  630   1HG   PRO  92          1HG       PRO  92  -4.928  17.896  -3.858
  631   2HG   PRO  92          2HG       PRO  92  -3.264  17.492  -4.322
  632   1HD   PRO  92          1HD       PRO  92  -5.421  15.693  -3.266
  633   2HD   PRO  92          2HD       PRO  92  -4.289  15.411  -4.607
  634    H    SER  93           H        SER  93  -2.805  14.073  -0.650
  635    HA   SER  93           HA       SER  93  -3.562  14.922   2.035
  636   1HB   SER  93          1HB       SER  93  -5.477  13.689   2.092
  637   2HB   SER  93          2HB       SER  93  -5.393  13.782   0.323
  638    HG   SER  93           HG       SER  93  -5.616  11.635   1.025
  639    H    MET  94           H        MET  94  -2.313  12.493  -0.163
  640    HA   MET  94           HA       MET  94  -0.838  11.177   2.000
  641   1HB   MET  94          1HB       MET  94  -1.840  10.180  -0.670
  642   2HB   MET  94          2HB       MET  94  -0.742   9.265   0.346
  643   1HG   MET  94          1HG       MET  94  -2.358   8.703   1.815
  644   2HG   MET  94          2HG       MET  94  -3.213  10.231   1.628
  645   1HE   MET  94          1HE       MET  94  -2.134   7.053   0.219
  646   2HE   MET  94          2HE       MET  94  -3.645   6.283  -0.267
  647   3HE   MET  94          3HE       MET  94  -2.700   7.193  -1.446
  648    H    ASP  95           H        ASP  95   0.150  13.531   0.959
  649    HA   ASP  95           HA       ASP  95   2.039  12.876  -1.064
  650   1HB   ASP  95          1HB       ASP  95   2.063  15.531   0.273
  651   2HB   ASP  95          2HB       ASP  95   2.213  15.150  -1.432
  652    H    GLY  96           H        GLY  96   3.990  12.104  -0.556
  653   1HA   GLY  96          1HA       GLY  96   5.990  11.930   0.679
  654   2HA   GLY  96          2HA       GLY  96   5.329  13.082   1.831
  655    H    LEU  97           H        LEU  97   3.452  10.423   0.689
  656    HA   LEU  97           HA       LEU  97   3.055   9.522   3.343
  657   1HB   LEU  97          1HB       LEU  97   1.099   8.891   2.553
  658   2HB   LEU  97          2HB       LEU  97   1.605   9.428   0.970
  659    HG   LEU  97           HG       LEU  97   0.642   7.168   0.974
  660   1HD1  LEU  97          1HD1      LEU  97   2.463   8.034  -0.599
  661   2HD1  LEU  97          2HD1      LEU  97   3.530   6.924   0.267
  662   3HD1  LEU  97          3HD1      LEU  97   2.108   6.305  -0.577
  663   1HD2  LEU  97          1HD2      LEU  97   1.995   6.738   3.281
  664   2HD2  LEU  97          2HD2      LEU  97   1.331   5.467   2.255
  665   3HD2  LEU  97          3HD2      LEU  97   3.032   5.912   2.119
  666    H    ILE  98           H        ILE  98   3.453   7.568   4.242
  667    HA   ILE  98           HA       ILE  98   5.804   6.275   3.117
  668    HB   ILE  98           HB       ILE  98   4.895   6.377   5.928
  669   1HG1  ILE  98          1HG1      ILE  98   6.910   7.767   6.267
  670   2HG1  ILE  98          2HG1      ILE  98   7.175   7.729   4.521
  671   1HG2  ILE  98          1HG2      ILE  98   6.052   4.274   5.390
  672   2HG2  ILE  98          2HG2      ILE  98   7.447   5.224   4.877
  673   3HG2  ILE  98          3HG2      ILE  98   6.916   5.273   6.558
  674   1HD1  ILE  98          1HD1      ILE  98   4.495   8.499   5.289
  675   2HD1  ILE  98          2HD1      ILE  98   5.739   9.617   5.855
  676   3HD1  ILE  98          3HD1      ILE  98   5.597   9.240   4.137
  677    H    VAL  99           H        VAL  99   5.938   4.117   2.801
  678    HA   VAL  99           HA       VAL  99   3.492   2.650   3.379
  679    HB   VAL  99           HB       VAL  99   5.256   1.499   1.380
  680   1HG1  VAL  99          1HG1      VAL  99   2.427   1.752   2.144
  681   2HG1  VAL  99          2HG1      VAL  99   2.761   1.620   0.407
  682   3HG1  VAL  99          3HG1      VAL  99   3.315   0.356   1.503
  683   1HG2  VAL  99          1HG2      VAL  99   3.721   4.058   0.917
  684   2HG2  VAL  99          2HG2      VAL  99   5.461   3.833   0.754
  685   3HG2  VAL  99          3HG2      VAL  99   4.361   3.027  -0.364
  686    H    ARG 100           H        ARG 100   4.021   0.136   3.178
  687    HA   ARG 100           HA       ARG 100   6.461  -0.747   4.372
  688   1HB   ARG 100          1HB       ARG 100   4.103  -0.186   6.070
  689   2HB   ARG 100          2HB       ARG 100   4.886  -1.735   6.337
  690   1HG   ARG 100          1HG       ARG 100   6.976  -0.650   6.820
  691   2HG   ARG 100          2HG       ARG 100   6.290   0.923   6.410
  692   1HD   ARG 100          1HD       ARG 100   5.667   1.150   8.524
  693   2HD   ARG 100          2HD       ARG 100   4.555  -0.194   8.291
  694    HE   ARG 100           HE       ARG 100   6.095  -1.629   9.312
  695   1HH1  ARG 100          1HH1      ARG 100   7.327   1.631   9.105
  696   2HH1  ARG 100          2HH1      ARG 100   8.575   1.365  10.272
  697   1HH2  ARG 100          1HH2      ARG 100   7.742  -1.979  10.845
  698   2HH2  ARG 100          2HH2      ARG 100   8.814  -0.683  11.258
  699    H    VAL 101           H        VAL 101   6.749  -2.918   3.970
  700    HA   VAL 101           HA       VAL 101   4.488  -4.301   2.708
  701    HB   VAL 101           HB       VAL 101   7.443  -4.918   2.657
  702   1HG1  VAL 101          1HG1      VAL 101   5.779  -6.897   2.606
  703   2HG1  VAL 101          2HG1      VAL 101   5.395  -6.321   0.986
  704   3HG1  VAL 101          3HG1      VAL 101   7.041  -6.814   1.379
  705   1HG2  VAL 101          1HG2      VAL 101   6.470  -2.963   1.308
  706   2HG2  VAL 101          2HG2      VAL 101   7.469  -4.140   0.456
  707   3HG2  VAL 101          3HG2      VAL 101   5.713  -4.207   0.314
  708    HA   PRO 102           HA       PRO 102   3.630  -6.797   6.262
  709   1HB   PRO 102          1HB       PRO 102   3.199  -8.861   4.156
  710   2HB   PRO 102          2HB       PRO 102   2.163  -8.402   5.513
  711   1HG   PRO 102          1HG       PRO 102   1.593  -7.593   3.056
  712   2HG   PRO 102          2HG       PRO 102   1.371  -6.513   4.442
  713   1HD   PRO 102          1HD       PRO 102   3.490  -6.496   2.347
  714   2HD   PRO 102          2HD       PRO 102   2.751  -5.137   3.217
  715    H    LEU 103           H        LEU 103   3.919  -9.400   6.501
  716    HA   LEU 103           HA       LEU 103   6.800  -9.899   6.123
  717   1HB   LEU 103          1HB       LEU 103   7.086 -10.094   8.315
  718   2HB   LEU 103          2HB       LEU 103   5.441  -9.536   8.536
  719    HG   LEU 103           HG       LEU 103   4.888 -12.106   8.181
  720   1HD1  LEU 103          1HD1      LEU 103   7.785 -12.021   8.898
  721   2HD1  LEU 103          2HD1      LEU 103   6.765 -13.319   9.518
  722   3HD1  LEU 103          3HD1      LEU 103   6.934 -13.085   7.778
  723   1HD2  LEU 103          1HD2      LEU 103   5.459 -10.424  10.488
  724   2HD2  LEU 103          2HD2      LEU 103   4.116 -11.530  10.195
  725   3HD2  LEU 103          3HD2      LEU 103   5.645 -12.146  10.824
  726    HA   PRO 104           HA       PRO 104   6.210 -13.611   3.845
  727   1HB   PRO 104          1HB       PRO 104   7.697 -14.763   6.181
  728   2HB   PRO 104          2HB       PRO 104   7.922 -15.067   4.455
  729   1HG   PRO 104          1HG       PRO 104   9.492 -13.356   5.844
  730   2HG   PRO 104          2HG       PRO 104   9.107 -13.124   4.130
  731   1HD   PRO 104          1HD       PRO 104   8.258 -11.551   6.437
  732   2HD   PRO 104          2HD       PRO 104   8.118 -11.171   4.711
  733    H    ALA 105           H        ALA 105   4.183 -14.371   3.866
  734    HA   ALA 105           HA       ALA 105   3.350 -16.019   6.139
  735   1HB   ALA 105          1HB       ALA 105   1.838 -13.690   5.012
  736   2HB   ALA 105          2HB       ALA 105   0.999 -15.029   5.795
  737   3HB   ALA 105          3HB       ALA 105   2.184 -14.084   6.696
  Start of MODEL    9
    1   2H    PRO   1          2H        PRO   1   3.912  14.805  -5.283
    2   1H    PRO   1          1H        PRO   1   4.631  13.340  -5.515
    3    HA   PRO   1           HA       PRO   1   4.534  14.878  -3.305
    4   1HB   PRO   1          1HB       PRO   1   3.586  12.162  -2.586
    5   2HB   PRO   1          2HB       PRO   1   3.313  13.693  -1.784
    6   1HG   PRO   1          1HG       PRO   1   1.376  12.714  -3.150
    7   2HG   PRO   1          2HG       PRO   1   1.790  14.421  -3.398
    8   1HD   PRO   1          1HD       PRO   1   2.682  12.043  -5.038
    9   2HD   PRO   1          2HD       PRO   1   1.851  13.495  -5.598
   10    H    ARG   2           H        ARG   2   5.364  13.186  -1.467
   11    HA   ARG   2           HA       ARG   2   7.743  11.847  -2.634
   12   1HB   ARG   2          1HB       ARG   2   8.717  13.551  -1.395
   13   2HB   ARG   2          2HB       ARG   2   7.398  13.600  -0.235
   14   1HG   ARG   2          1HG       ARG   2   9.199  12.767   0.973
   15   2HG   ARG   2          2HG       ARG   2   8.260  11.330   0.568
   16   1HD   ARG   2          1HD       ARG   2  10.192  10.496  -0.189
   17   2HD   ARG   2          2HD       ARG   2   9.950  11.558  -1.575
   18    HE   ARG   2           HE       ARG   2  11.619  12.940  -0.784
   19   1HH1  ARG   2          1HH1      ARG   2  10.809  10.538   1.603
   20   2HH1  ARG   2          2HH1      ARG   2  12.162  10.903   2.620
   21   1HH2  ARG   2          1HH2      ARG   2  13.406  13.429   0.546
   22   2HH2  ARG   2          2HH2      ARG   2  13.639  12.548   2.019
   23    H    VAL   3           H        VAL   3   8.467   9.881  -1.193
   24    HA   VAL   3           HA       VAL   3   6.407   8.950   0.566
   25    HB   VAL   3           HB       VAL   3   6.409   8.228  -2.258
   26   1HG1  VAL   3          1HG1      VAL   3   7.218   6.126  -0.905
   27   2HG1  VAL   3          2HG1      VAL   3   5.509   6.046  -0.502
   28   3HG1  VAL   3          3HG1      VAL   3   6.021   6.043  -2.198
   29   1HG2  VAL   3          1HG2      VAL   3   4.588   8.524   0.016
   30   2HG2  VAL   3          2HG2      VAL   3   4.462   9.115  -1.656
   31   3HG2  VAL   3          3HG2      VAL   3   4.117   7.425  -1.291
   32    H    VAL   4           H        VAL   4   6.756   6.748   1.323
   33    HA   VAL   4           HA       VAL   4   9.444   5.766   0.984
   34    HB   VAL   4           HB       VAL   4   8.547   6.946   3.578
   35   1HG1  VAL   4          1HG1      VAL   4  10.014   4.449   3.196
   36   2HG1  VAL   4          2HG1      VAL   4  10.889   5.631   4.171
   37   3HG1  VAL   4          3HG1      VAL   4   9.276   5.113   4.656
   38   1HG2  VAL   4          1HG2      VAL   4  10.827   7.185   1.691
   39   2HG2  VAL   4          2HG2      VAL   4   9.905   8.449   2.506
   40   3HG2  VAL   4          3HG2      VAL   4  11.112   7.522   3.399
   41    H    PHE   5           H        PHE   5   9.134   3.829   0.503
   42    HA   PHE   5           HA       PHE   5   6.980   2.199   1.641
   43   1HB   PHE   5          1HB       PHE   5   9.044   1.798  -0.506
   44   2HB   PHE   5          2HB       PHE   5   8.023   0.496   0.061
   45    HD1  PHE   5           HD1      PHE   5   6.700   3.965  -0.402
   46    HD2  PHE   5           HD2      PHE   5   7.104   0.056  -2.014
   47    HE1  PHE   5           HE1      PHE   5   5.089   4.506  -2.156
   48    HE2  PHE   5           HE2      PHE   5   5.484   0.556  -3.724
   49    HZ   PHE   5           HZ       PHE   5   4.437   2.791  -3.812
   50    H    ILE   6           H        ILE   6   7.748  -0.133   2.122
   51    HA   ILE   6           HA       ILE   6  10.416  -0.448   3.107
   52    HB   ILE   6           HB       ILE   6   8.027  -0.504   4.905
   53   1HG1  ILE   6          1HG1      ILE   6   9.982   0.989   6.066
   54   2HG1  ILE   6          2HG1      ILE   6  10.243   1.341   4.377
   55   1HG2  ILE   6          1HG2      ILE   6  10.835  -1.447   5.351
   56   2HG2  ILE   6          2HG2      ILE   6   9.667  -1.185   6.647
   57   3HG2  ILE   6          3HG2      ILE   6   9.353  -2.398   5.405
   58   1HD1  ILE   6          1HD1      ILE   6   7.476   1.518   5.384
   59   2HD1  ILE   6          2HD1      ILE   6   8.614   2.756   5.911
   60   3HD1  ILE   6          3HD1      ILE   6   8.322   2.503   4.191
   61    H    ASP   7           H        ASP   7  10.793  -2.681   3.861
   62    HA   ASP   7           HA       ASP   7   8.846  -4.695   3.535
   63   1HB   ASP   7          1HB       ASP   7   9.360  -3.823   1.165
   64   2HB   ASP   7          2HB       ASP   7  10.869  -4.720   1.325
   65    H    GLU   8           H        GLU   8  10.166  -6.910   3.092
   66    HA   GLU   8           HA       GLU   8  12.109  -6.997   5.234
   67   1HB   GLU   8          1HB       GLU   8  10.036  -8.592   4.725
   68   2HB   GLU   8          2HB       GLU   8  11.252  -9.445   3.782
   69   1HG   GLU   8          1HG       GLU   8  12.627  -9.131   6.023
   70   2HG   GLU   8          2HG       GLU   8  11.003  -9.105   6.705
   71    H    GLN   9           H        GLN   9  12.266  -6.504   1.997
   72    HA   GLN   9           HA       GLN   9  14.578  -8.194   1.486
   73   1HB   GLN   9          1HB       GLN   9  12.881  -6.378  -0.188
   74   2HB   GLN   9          2HB       GLN   9  14.481  -6.839  -0.754
   75   1HG   GLN   9          1HG       GLN   9  12.130  -8.617  -0.196
   76   2HG   GLN   9          2HG       GLN   9  12.957  -8.346  -1.729
   77   1HE2  GLN   9          2HE2      GLN   9  12.737 -10.278   1.014
   78   2HE2  GLN   9          1HE2      GLN   9  14.149 -11.240   0.763
   79    H    SER  10           H        SER  10  13.776  -4.820   2.023
   80    HA   SER  10           HA       SER  10  16.637  -4.265   2.360
   81   1HB   SER  10          1HB       SER  10  15.926  -3.427   0.138
   82   2HB   SER  10          2HB       SER  10  14.711  -2.421   0.927
   83    HG   SER  10           HG       SER  10  17.479  -2.272   1.512
   84    H    GLY  11           H        GLY  11  13.688  -4.346   3.798
   85   1HA   GLY  11          1HA       GLY  11  12.852  -3.426   5.737
   86   2HA   GLY  11          2HA       GLY  11  14.507  -2.983   6.099
   87    H    GLU  12           H        GLU  12  13.250  -1.768   3.195
   88    HA   GLU  12           HA       GLU  12  11.819   0.473   3.846
   89   1HB   GLU  12          1HB       GLU  12  13.420   1.417   5.244
   90   2HB   GLU  12          2HB       GLU  12  14.764   0.863   4.253
   91   1HG   GLU  12          1HG       GLU  12  14.206   2.493   2.544
   92   2HG   GLU  12          2HG       GLU  12  12.812   3.023   3.483
   93    H    TYR  13           H        TYR  13  11.390   1.722   2.112
   94    HA   TYR  13           HA       TYR  13  12.992   1.461  -0.286
   95   1HB   TYR  13          1HB       TYR  13  10.180   0.450   0.007
   96   2HB   TYR  13          2HB       TYR  13  10.850   0.879  -1.567
   97    HD1  TYR  13           HD1      TYR  13  11.419  -1.271   1.405
   98    HD2  TYR  13           HD2      TYR  13  12.227  -0.580  -2.702
   99    HE1  TYR  13           HE1      TYR  13  12.528  -3.475   1.263
  100    HE2  TYR  13           HE2      TYR  13  13.316  -2.757  -2.884
  101    HH   TYR  13           HH       TYR  13  14.525  -4.407  -0.571
  102    H    ALA  14           H        ALA  14  13.119   3.683   0.860
  103    HA   ALA  14           HA       ALA  14  11.158   5.601   0.798
  104   1HB   ALA  14          1HB       ALA  14  14.106   5.650   0.636
  105   2HB   ALA  14          2HB       ALA  14  13.258   7.122   0.162
  106   3HB   ALA  14          3HB       ALA  14  13.018   6.445   1.773
  107    H    VAL  15           H        VAL  15  10.311   7.002  -0.672
  108    HA   VAL  15           HA       VAL  15  11.275   7.206  -3.348
  109    HB   VAL  15           HB       VAL  15  10.181   4.938  -3.185
  110   1HG1  VAL  15          1HG1      VAL  15   7.691   6.620  -3.015
  111   2HG1  VAL  15          2HG1      VAL  15   7.708   4.939  -3.604
  112   3HG1  VAL  15          3HG1      VAL  15   8.226   5.300  -1.965
  113   1HG2  VAL  15          1HG2      VAL  15  10.147   6.901  -5.250
  114   2HG2  VAL  15          2HG2      VAL  15  10.317   5.154  -5.381
  115   3HG2  VAL  15          3HG2      VAL  15   8.711   5.879  -5.369
  116    H    ASP  16           H        ASP  16   8.769   7.690  -4.489
  117    HA   ASP  16           HA       ASP  16   7.456   9.784  -3.070
  118   1HB   ASP  16          1HB       ASP  16   8.595  10.466  -5.712
  119   2HB   ASP  16          2HB       ASP  16   8.065  11.544  -4.431
  120    H    ALA  17           H        ALA  17   5.680  10.582  -4.355
  121    HA   ALA  17           HA       ALA  17   4.959   8.851  -6.597
  122   1HB   ALA  17          1HB       ALA  17   4.150   8.377  -4.079
  123   2HB   ALA  17          2HB       ALA  17   2.833   9.419  -4.690
  124   3HB   ALA  17          3HB       ALA  17   3.246   7.911  -5.536
  125    H    GLN  18           H        GLN  18   2.588   9.645  -7.277
  126    HA   GLN  18           HA       GLN  18   2.528  12.574  -7.292
  127   1HB   GLN  18          1HB       GLN  18   2.206  10.924  -9.799
  128   2HB   GLN  18          2HB       GLN  18   2.214  12.677  -9.680
  129   1HG   GLN  18          1HG       GLN  18   4.593  12.336  -8.701
  130   2HG   GLN  18          2HG       GLN  18   4.482  10.758  -9.477
  131   1HE2  GLN  18          2HE2      GLN  18   6.432  12.044 -10.462
  132   2HE2  GLN  18          1HE2      GLN  18   6.083  12.825 -11.962
  133    H    ASP  19           H        ASP  19   0.564  13.345  -6.924
  134    HA   ASP  19           HA       ASP  19  -1.598  11.990  -6.081
  135   1HB   ASP  19          1HB       ASP  19  -2.390  14.185  -7.855
  136   2HB   ASP  19          2HB       ASP  19  -2.761  13.929  -6.174
  137    H    GLY  20           H        GLY  20  -2.504  10.267  -6.865
  138   1HA   GLY  20          1HA       GLY  20  -4.235   9.589  -8.509
  139   2HA   GLY  20          2HA       GLY  20  -3.153  10.218  -9.744
  140    H    GLN  21           H        GLN  21  -1.114   8.913  -7.553
  141    HA   GLN  21           HA       GLN  21  -1.189   6.284  -8.895
  142   1HB   GLN  21          1HB       GLN  21   1.182   7.784  -7.774
  143   2HB   GLN  21          2HB       GLN  21   1.245   6.177  -8.485
  144   1HG   GLN  21          1HG       GLN  21   0.919   6.965 -10.625
  145   2HG   GLN  21          2HG       GLN  21   0.169   8.457 -10.067
  146   1HE2  GLN  21          2HE2      GLN  21   2.933   7.633  -8.311
  147   2HE2  GLN  21          1HE2      GLN  21   4.034   8.701  -9.081
  148    H    SER  22           H        SER  22  -0.531   4.452  -7.637
  149    HA   SER  22           HA       SER  22  -1.283   4.815  -4.844
  150   1HB   SER  22          1HB       SER  22  -1.526   2.283  -4.899
  151   2HB   SER  22          2HB       SER  22  -2.644   3.179  -5.925
  152    HG   SER  22           HG       SER  22  -1.890   2.015  -7.489
  153    H    LEU  23           H        LEU  23  -0.293   2.771  -3.543
  154    HA   LEU  23           HA       LEU  23   2.581   3.362  -3.489
  155   1HB   LEU  23          1HB       LEU  23   0.833   1.797  -1.587
  156   2HB   LEU  23          2HB       LEU  23   2.547   2.082  -1.357
  157    HG   LEU  23           HG       LEU  23   1.870   3.821  -0.109
  158   1HD1  LEU  23          1HD1      LEU  23   1.416   4.889  -2.881
  159   2HD1  LEU  23          2HD1      LEU  23   1.329   5.902  -1.440
  160   3HD1  LEU  23          3HD1      LEU  23   2.834   5.082  -1.850
  161   1HD2  LEU  23          1HD2      LEU  23  -0.735   3.675  -1.608
  162   2HD2  LEU  23          2HD2      LEU  23  -0.402   3.154   0.044
  163   3HD2  LEU  23          3HD2      LEU  23  -0.396   4.871  -0.356
  164    H    MET  24           H        MET  24   0.813   1.365  -5.235
  165    HA   MET  24           HA       MET  24   2.526  -0.989  -4.922
  166   1HB   MET  24          1HB       MET  24   0.935  -2.205  -6.179
  167   2HB   MET  24          2HB       MET  24  -0.016  -1.182  -5.114
  168   1HG   MET  24          1HG       MET  24  -0.788   0.121  -6.817
  169   2HG   MET  24          2HG       MET  24   0.624  -0.163  -7.828
  170   1HE   MET  24          1HE       MET  24   1.144  -1.960  -9.116
  171   2HE   MET  24          2HE       MET  24   0.686  -3.531  -8.459
  172   3HE   MET  24          3HE       MET  24  -0.033  -2.961  -9.965
  173    H    GLU  25           H        GLU  25   1.703   1.634  -7.049
  174    HA   GLU  25           HA       GLU  25   3.348   0.633  -9.203
  175   1HB   GLU  25          1HB       GLU  25   2.415   2.255 -10.522
  176   2HB   GLU  25          2HB       GLU  25   1.159   2.151  -9.297
  177   1HG   GLU  25          1HG       GLU  25   1.406   4.392  -9.319
  178   2HG   GLU  25          2HG       GLU  25   2.677   4.015  -8.157
  179    H    VAL  26           H        VAL  26   3.578   3.141  -6.693
  180    HA   VAL  26           HA       VAL  26   5.883   4.344  -7.643
  181    HB   VAL  26           HB       VAL  26   6.094   3.760  -4.774
  182   1HG1  VAL  26          1HG1      VAL  26   7.280   5.404  -6.310
  183   2HG1  VAL  26          2HG1      VAL  26   5.825   6.378  -6.160
  184   3HG1  VAL  26          3HG1      VAL  26   6.762   5.972  -4.730
  185   1HG2  VAL  26          1HG2      VAL  26   3.629   3.860  -5.056
  186   2HG2  VAL  26          2HG2      VAL  26   4.346   5.098  -4.025
  187   3HG2  VAL  26          3HG2      VAL  26   3.843   5.502  -5.673
  188    H    ALA  27           H        ALA  27   5.539   1.660  -5.447
  189    HA   ALA  27           HA       ALA  27   7.864   0.663  -4.891
  190   1HB   ALA  27          1HB       ALA  27   5.360  -0.481  -5.249
  191   2HB   ALA  27          2HB       ALA  27   6.463  -1.502  -6.176
  192   3HB   ALA  27          3HB       ALA  27   6.753  -1.219  -4.455
  193    H    THR  28           H        THR  28   6.467  -0.608  -7.874
  194    HA   THR  28           HA       THR  28   8.742  -1.698  -8.927
  195    HB   THR  28           HB       THR  28   7.531  -2.090 -10.789
  196    HG1  THR  28           HG1      THR  28   6.365   0.459 -10.903
  197   1HG2  THR  28          1HG2      THR  28   5.821  -2.271  -8.970
  198   2HG2  THR  28          2HG2      THR  28   5.259  -0.669  -9.447
  199   3HG2  THR  28          3HG2      THR  28   5.185  -2.007 -10.593
  200    H    GLN  29           H        GLN  29   7.754   1.636  -8.870
  201    HA   GLN  29           HA       GLN  29   9.839   2.490 -10.677
  202   1HB   GLN  29          1HB       GLN  29   7.947   4.044  -8.918
  203   2HB   GLN  29          2HB       GLN  29   9.131   4.797  -9.975
  204   1HG   GLN  29          1HG       GLN  29   8.057   3.625 -11.893
  205   2HG   GLN  29          2HG       GLN  29   6.799   3.083 -10.783
  206   1HE2  GLN  29          2HE2      GLN  29   6.010   4.488 -12.896
  207   2HE2  GLN  29          1HE2      GLN  29   5.543   6.089 -12.450
  208    H    ASN  30           H        ASN  30   9.446   2.145  -7.246
  209    HA   ASN  30           HA       ASN  30  11.849   3.652  -6.638
  210   1HB   ASN  30          1HB       ASN  30  10.688   2.020  -4.496
  211   2HB   ASN  30          2HB       ASN  30  11.055   3.728  -4.514
  212   1HD2  ASN  30          2HD2      ASN  30   8.657   2.200  -3.619
  213   2HD2  ASN  30          1HD2      ASN  30   7.344   2.894  -4.442
  214    H    GLY  31           H        GLY  31  11.462   0.716  -7.938
  215   1HA   GLY  31          1HA       GLY  31  12.990  -1.021  -8.191
  216   2HA   GLY  31          2HA       GLY  31  14.024  -0.235  -7.002
  217    H    VAL  32           H        VAL  32  10.967  -0.412  -5.803
  218    HA   VAL  32           HA       VAL  32  11.493  -2.058  -3.677
  219    HB   VAL  32           HB       VAL  32   8.802  -1.564  -4.874
  220   1HG1  VAL  32          1HG1      VAL  32   9.712  -2.002  -2.061
  221   2HG1  VAL  32          2HG1      VAL  32   8.145  -1.302  -2.473
  222   3HG1  VAL  32          3HG1      VAL  32   8.530  -2.935  -2.997
  223   1HG2  VAL  32          1HG2      VAL  32  10.647   0.296  -3.460
  224   2HG2  VAL  32          2HG2      VAL  32   9.674   0.576  -4.905
  225   3HG2  VAL  32          3HG2      VAL  32   8.899   0.494  -3.321
  226    HA   PRO  33           HA       PRO  33  11.287  -6.234  -4.932
  227   1HB   PRO  33          1HB       PRO  33   9.286  -6.783  -2.797
  228   2HB   PRO  33          2HB       PRO  33  10.867  -7.523  -3.081
  229   1HG   PRO  33          1HG       PRO  33  10.628  -5.784  -1.111
  230   2HG   PRO  33          2HG       PRO  33  12.024  -5.657  -2.206
  231   1HD   PRO  33          1HD       PRO  33   9.449  -4.141  -2.265
  232   2HD   PRO  33          2HD       PRO  33  11.087  -3.501  -2.299
  233    H    GLY  34           H        GLY  34   9.939  -5.133  -6.775
  234   1HA   GLY  34          1HA       GLY  34   8.121  -5.177  -8.198
  235   2HA   GLY  34          2HA       GLY  34   8.354  -6.902  -7.977
  236    H    ILE  35           H        ILE  35   6.662  -4.091  -6.702
  237    HA   ILE  35           HA       ILE  35   4.754  -5.750  -5.279
  238    HB   ILE  35           HB       ILE  35   4.596  -2.774  -5.763
  239   1HG1  ILE  35          1HG1      ILE  35   6.715  -3.299  -4.664
  240   2HG1  ILE  35          2HG1      ILE  35   5.614  -2.528  -3.526
  241   1HG2  ILE  35          1HG2      ILE  35   2.665  -4.404  -4.846
  242   2HG2  ILE  35          2HG2      ILE  35   3.489  -4.025  -3.333
  243   3HG2  ILE  35          3HG2      ILE  35   2.847  -2.726  -4.338
  244   1HD1  ILE  35          1HD1      ILE  35   5.520  -5.460  -3.560
  245   2HD1  ILE  35          2HD1      ILE  35   7.034  -4.751  -2.997
  246   3HD1  ILE  35          3HD1      ILE  35   5.515  -4.333  -2.203
  247    H    VAL  36           H        VAL  36   4.772  -6.407  -7.967
  248    HA   VAL  36           HA       VAL  36   2.516  -5.061  -9.222
  249    HB   VAL  36           HB       VAL  36   2.977  -6.628 -11.128
  250   1HG1  VAL  36          1HG1      VAL  36   5.165  -4.820 -10.123
  251   2HG1  VAL  36          2HG1      VAL  36   5.161  -5.533 -11.735
  252   3HG1  VAL  36          3HG1      VAL  36   3.870  -4.431 -11.256
  253   1HG2  VAL  36          1HG2      VAL  36   4.305  -8.136  -9.307
  254   2HG2  VAL  36          2HG2      VAL  36   4.534  -8.252 -11.051
  255   3HG2  VAL  36          3HG2      VAL  36   5.644  -7.286 -10.079
  256    H    ALA  37           H        ALA  37   0.916  -6.577 -10.377
  257    HA   ALA  37           HA       ALA  37   0.271  -8.938  -8.769
  258   1HB   ALA  37          1HB       ALA  37  -1.151  -6.438  -8.657
  259   2HB   ALA  37          2HB       ALA  37  -2.200  -7.726  -9.249
  260   3HB   ALA  37          3HB       ALA  37  -1.376  -7.902  -7.699
  261    H    GLU  38           H        GLU  38  -1.843  -9.961  -9.785
  262    HA   GLU  38           HA       GLU  38  -1.225 -10.324 -12.611
  263   1HB   GLU  38          1HB       GLU  38  -2.481 -12.348 -12.493
  264   2HB   GLU  38          2HB       GLU  38  -1.488 -12.273 -11.044
  265   1HG   GLU  38          1HG       GLU  38  -3.607 -11.221  -9.968
  266   2HG   GLU  38          2HG       GLU  38  -4.440 -11.963 -11.333
  267    H    CYS  39           H        CYS  39  -3.538  -8.764 -10.624
  268    HA   CYS  39           HA       CYS  39  -5.553  -8.689 -12.728
  269   1HB   CYS  39          1HB       CYS  39  -7.064  -8.023 -11.132
  270   2HB   CYS  39          2HB       CYS  39  -5.925  -8.904 -10.120
  271    H    GLY  40           H        GLY  40  -2.826  -6.963 -11.886
  272   1HA   GLY  40          1HA       GLY  40  -2.094  -4.806 -12.298
  273   2HA   GLY  40          2HA       GLY  40  -2.893  -5.087 -13.839
  274    H    GLY  41           H        GLY  41  -4.371  -4.742 -10.638
  275   1HA   GLY  41          1HA       GLY  41  -5.528  -2.890  -9.775
  276   2HA   GLY  41          2HA       GLY  41  -5.343  -2.083 -11.325
  277    H    SER  42           H        SER  42  -6.403  -5.234 -11.760
  278    HA   SER  42           HA       SER  42  -9.058  -4.287 -12.450
  279   1HB   SER  42          1HB       SER  42  -7.719  -5.789 -13.960
  280   2HB   SER  42          2HB       SER  42  -7.933  -7.076 -12.773
  281    HG   SER  42           HG       SER  42 -10.022  -7.210 -13.266
  282    H    CYS  43           H        CYS  43  -7.944  -4.897  -9.608
  283    HA   CYS  43           HA       CYS  43  -8.667  -5.840  -7.655
  284   1HB   CYS  43          1HB       CYS  43 -10.422  -4.112  -8.221
  285   2HB   CYS  43          2HB       CYS  43 -11.405  -5.424  -8.863
  286    HG   CYS  43           HG       CYS  43 -10.963  -6.315  -6.185
  287    H    VAL  44           H        VAL  44  -7.784  -7.885  -8.910
  288    HA   VAL  44           HA       VAL  44  -9.769  -9.977  -8.456
  289    HB   VAL  44           HB       VAL  44  -8.126  -9.820 -10.990
  290   1HG1  VAL  44          1HG1      VAL  44  -9.610 -12.004  -9.679
  291   2HG1  VAL  44          2HG1      VAL  44  -9.867 -11.825 -11.414
  292   3HG1  VAL  44          3HG1      VAL  44  -8.237 -12.065 -10.783
  293   1HG2  VAL  44          1HG2      VAL  44 -10.387  -8.455 -10.567
  294   2HG2  VAL  44          2HG2      VAL  44  -9.966  -9.148 -12.132
  295   3HG2  VAL  44          3HG2      VAL  44 -11.078  -9.999 -11.060
  296    H    CYS  45           H        CYS  45  -7.449  -9.056  -6.977
  297    HA   CYS  45           HA       CYS  45  -6.195 -11.590  -6.568
  298   1HB   CYS  45          1HB       CYS  45  -4.067 -11.244  -7.363
  299   2HB   CYS  45          2HB       CYS  45  -4.992 -10.361  -8.570
  300    H    ALA  46           H        ALA  46  -4.182 -11.189  -5.006
  301    HA   ALA  46           HA       ALA  46  -4.802  -9.033  -3.124
  302   1HB   ALA  46          1HB       ALA  46  -5.006 -11.949  -2.598
  303   2HB   ALA  46          2HB       ALA  46  -4.367 -10.918  -1.318
  304   3HB   ALA  46          3HB       ALA  46  -5.976 -10.615  -1.974
  305    H    THR  47           H        THR  47  -2.583 -10.203  -5.040
  306    HA   THR  47           HA       THR  47  -0.335 -10.598  -3.325
  307    HB   THR  47           HB       THR  47   0.922 -10.193  -5.555
  308    HG1  THR  47           HG1      THR  47  -1.564 -10.694  -6.737
  309   1HG2  THR  47          1HG2      THR  47   0.020 -12.446  -4.492
  310   2HG2  THR  47          2HG2      THR  47  -0.990 -12.416  -5.939
  311   3HG2  THR  47          3HG2      THR  47   0.767 -12.386  -6.089
  312    H    CYS  48           H        CYS  48  -2.088  -7.895  -3.927
  313    HA   CYS  48           HA       CYS  48   0.177  -6.047  -3.975
  314   1HB   CYS  48          1HB       CYS  48  -1.660  -4.314  -4.154
  315   2HB   CYS  48          2HB       CYS  48  -1.555  -5.445  -5.500
  316    H    ARG  49           H        ARG  49  -0.695  -7.758  -1.631
  317    HA   ARG  49           HA       ARG  49  -1.938  -6.291   0.352
  318   1HB   ARG  49          1HB       ARG  49  -1.032  -8.751   0.313
  319   2HB   ARG  49          2HB       ARG  49   0.396  -8.031   1.044
  320   1HG   ARG  49          1HG       ARG  49  -1.004  -8.857   2.788
  321   2HG   ARG  49          2HG       ARG  49  -1.061  -7.094   2.827
  322   1HD   ARG  49          1HD       ARG  49  -3.141  -7.554   1.210
  323   2HD   ARG  49          2HD       ARG  49  -3.171  -9.053   2.136
  324    HE   ARG  49           HE       ARG  49  -2.977  -7.090   4.024
  325   1HH1  ARG  49          1HH1      ARG  49  -5.165  -7.778   1.404
  326   2HH1  ARG  49          2HH1      ARG  49  -6.535  -7.065   2.188
  327   1HH2  ARG  49          1HH2      ARG  49  -4.773  -6.144   5.065
  328   2HH2  ARG  49          2HH2      ARG  49  -6.312  -6.136   4.270
  329    H    ILE  50           H        ILE  50  -1.226  -4.111   0.018
  330    HA   ILE  50           HA       ILE  50   1.513  -3.496   0.837
  331    HB   ILE  50           HB       ILE  50  -0.681  -1.814  -0.365
  332   1HG1  ILE  50          1HG1      ILE  50   0.927  -3.382  -1.697
  333   2HG1  ILE  50          2HG1      ILE  50   0.632  -1.747  -2.281
  334   1HG2  ILE  50          1HG2      ILE  50   1.856  -0.961   0.972
  335   2HG2  ILE  50          2HG2      ILE  50   1.181  -0.018  -0.356
  336   3HG2  ILE  50          3HG2      ILE  50   0.236  -0.278   1.110
  337   1HD1  ILE  50          1HD1      ILE  50   2.882  -1.916  -0.445
  338   2HD1  ILE  50          2HD1      ILE  50   3.082  -2.900  -1.896
  339   3HD1  ILE  50          3HD1      ILE  50   2.767  -1.171  -2.039
  340    H    GLU  51           H        GLU  51   1.956  -2.053   2.574
  341    HA   GLU  51           HA       GLU  51  -0.291  -1.692   4.438
  342   1HB   GLU  51          1HB       GLU  51   2.232  -3.144   4.833
  343   2HB   GLU  51          2HB       GLU  51   1.832  -2.016   6.122
  344   1HG   GLU  51          1HG       GLU  51  -0.354  -3.098   6.375
  345   2HG   GLU  51          2HG       GLU  51   0.079  -4.244   5.107
  346    H    ILE  52           H        ILE  52  -0.614   0.418   4.592
  347    HA   ILE  52           HA       ILE  52   1.371   2.418   4.190
  348    HB   ILE  52           HB       ILE  52  -1.372   2.499   5.475
  349   1HG1  ILE  52          1HG1      ILE  52  -1.119   2.012   2.989
  350   2HG1  ILE  52          2HG1      ILE  52  -2.158   3.362   3.432
  351   1HG2  ILE  52          1HG2      ILE  52   0.635   4.669   5.067
  352   2HG2  ILE  52          2HG2      ILE  52  -1.083   5.036   4.946
  353   3HG2  ILE  52          3HG2      ILE  52  -0.432   4.362   6.436
  354   1HD1  ILE  52          1HD1      ILE  52  -0.196   4.862   3.039
  355   2HD1  ILE  52          2HD1      ILE  52   0.623   3.467   2.337
  356   3HD1  ILE  52          3HD1      ILE  52  -0.864   4.078   1.606
  357    H    GLU  53           H        GLU  53   2.709   3.469   5.755
  358    HA   GLU  53           HA       GLU  53   3.178   2.047   8.157
  359   1HB   GLU  53          1HB       GLU  53   4.478   3.909   8.950
  360   2HB   GLU  53          2HB       GLU  53   4.730   3.775   7.214
  361   1HG   GLU  53          1HG       GLU  53   3.165   5.770   8.750
  362   2HG   GLU  53          2HG       GLU  53   4.446   6.030   7.589
  363    H    ASP  54           H        ASP  54   2.886   3.312  10.457
  364    HA   ASP  54           HA       ASP  54  -0.011   3.560  10.675
  365   1HB   ASP  54          1HB       ASP  54   2.047   2.539  12.373
  366   2HB   ASP  54          2HB       ASP  54   1.211   3.831  13.230
  367    H    ALA  55           H        ALA  55   1.711   5.675   9.596
  368    HA   ALA  55           HA       ALA  55   1.043   7.860  11.456
  369   1HB   ALA  55          1HB       ALA  55   3.380   7.287   9.829
  370   2HB   ALA  55          2HB       ALA  55   2.735   8.900   9.522
  371   3HB   ALA  55          3HB       ALA  55   3.192   8.426  11.163
  372    H    TRP  56           H        TRP  56   0.752   6.541   8.298
  373    HA   TRP  56           HA       TRP  56  -0.709   8.891   7.363
  374   1HB   TRP  56          1HB       TRP  56   0.641   6.676   5.882
  375   2HB   TRP  56          2HB       TRP  56  -0.135   8.057   5.141
  376    HD1  TRP  56           HD1      TRP  56   2.618   7.409   7.763
  377    HE1  TRP  56           HE1      TRP  56   4.426   9.173   7.497
  378    HE3  TRP  56           HE3      TRP  56   0.403  10.166   4.066
  379    HZ2  TRP  56           HZ2      TRP  56   4.862  11.478   5.934
  380    HZ3  TRP  56           HZ3      TRP  56   1.627  12.138   3.230
  381    HH2  TRP  56           HH2      TRP  56   3.786  12.779   4.136
  382    H    VAL  57           H        VAL  57  -1.599   6.070   8.673
  383    HA   VAL  57           HA       VAL  57  -3.391   5.109   6.698
  384    HB   VAL  57           HB       VAL  57  -3.566   4.837   9.695
  385   1HG1  VAL  57          1HG1      VAL  57  -5.611   4.382   8.348
  386   2HG1  VAL  57          2HG1      VAL  57  -4.710   3.109   7.526
  387   3HG1  VAL  57          3HG1      VAL  57  -5.007   2.995   9.261
  388   1HG2  VAL  57          1HG2      VAL  57  -1.444   4.186   8.499
  389   2HG2  VAL  57          2HG2      VAL  57  -2.211   2.940   9.490
  390   3HG2  VAL  57          3HG2      VAL  57  -2.394   2.913   7.733
  391    H    GLU  58           H        GLU  58  -3.474   7.428   9.269
  392    HA   GLU  58           HA       GLU  58  -6.274   8.047   8.883
  393   1HB   GLU  58          1HB       GLU  58  -4.093   9.238  10.593
  394   2HB   GLU  58          2HB       GLU  58  -5.665  10.008  10.439
  395   1HG   GLU  58          1HG       GLU  58  -6.079   7.269  11.053
  396   2HG   GLU  58          2HG       GLU  58  -4.883   7.918  12.173
  397    H    ILE  59           H        ILE  59  -3.498   8.570   7.225
  398    HA   ILE  59           HA       ILE  59  -4.270  11.245   6.234
  399    HB   ILE  59           HB       ILE  59  -1.720   9.675   6.092
  400   1HG1  ILE  59          1HG1      ILE  59  -1.870  12.580   6.620
  401   2HG1  ILE  59          2HG1      ILE  59  -2.488  11.502   7.869
  402   1HG2  ILE  59          1HG2      ILE  59  -2.747  11.551   4.096
  403   2HG2  ILE  59          2HG2      ILE  59  -1.134  11.936   4.694
  404   3HG2  ILE  59          3HG2      ILE  59  -1.454  10.358   3.975
  405   1HD1  ILE  59          1HD1      ILE  59   0.039  10.586   6.896
  406   2HD1  ILE  59          2HD1      ILE  59   0.144  12.265   7.425
  407   3HD1  ILE  59          3HD1      ILE  59  -0.446  11.029   8.533
  408    H    VAL  60           H        VAL  60  -3.672   7.941   5.377
  409    HA   VAL  60           HA       VAL  60  -4.146   8.390   2.559
  410    HB   VAL  60           HB       VAL  60  -3.462   5.935   4.150
  411   1HG1  VAL  60          1HG1      VAL  60  -4.037   6.276   1.228
  412   2HG1  VAL  60          2HG1      VAL  60  -2.964   5.002   1.807
  413   3HG1  VAL  60          3HG1      VAL  60  -4.646   5.050   2.345
  414   1HG2  VAL  60          1HG2      VAL  60  -1.844   8.010   3.546
  415   2HG2  VAL  60          2HG2      VAL  60  -1.294   6.339   3.681
  416   3HG2  VAL  60          3HG2      VAL  60  -1.645   7.020   2.096
  417    H    GLY  61           H        GLY  61  -5.473   6.181   5.008
  418   1HA   GLY  61          1HA       GLY  61  -7.550   5.143   5.084
  419   2HA   GLY  61          2HA       GLY  61  -8.177   6.651   4.410
  420    H    GLU  62           H        GLU  62  -6.191   3.927   3.402
  421    HA   GLU  62           HA       GLU  62  -6.443   4.060   0.714
  422   1HB   GLU  62          1HB       GLU  62  -6.200   1.683   2.544
  423   2HB   GLU  62          2HB       GLU  62  -6.096   1.527   0.800
  424   1HG   GLU  62          1HG       GLU  62  -4.264   3.317   0.954
  425   2HG   GLU  62          2HG       GLU  62  -4.243   2.939   2.675
  426    H    ALA  63           H        ALA  63  -7.803   1.049   1.052
  427    HA   ALA  63           HA       ALA  63 -10.107   1.836  -0.338
  428   1HB   ALA  63          1HB       ALA  63  -8.793  -0.633   0.228
  429   2HB   ALA  63          2HB       ALA  63 -10.528  -0.786   0.527
  430   3HB   ALA  63          3HB       ALA  63  -9.945  -0.253  -1.051
  431    H    ASN  64           H        ASN  64 -12.301   1.257   0.222
  432    HA   ASN  64           HA       ASN  64 -12.949   2.144   2.879
  433   1HB   ASN  64          1HB       ASN  64 -15.062   2.636   1.965
  434   2HB   ASN  64          2HB       ASN  64 -13.970   2.907   0.620
  435   1HD2  ASN  64          2HD2      ASN  64 -16.877   1.858   1.145
  436   2HD2  ASN  64          1HD2      ASN  64 -16.997   0.559   0.012
  437    HA   PRO  65           HA       PRO  65 -14.558  -1.595   4.588
  438   1HB   PRO  65          1HB       PRO  65 -17.392  -0.870   4.343
  439   2HB   PRO  65          2HB       PRO  65 -16.406  -1.074   5.793
  440   1HG   PRO  65          1HG       PRO  65 -17.246   1.348   4.947
  441   2HG   PRO  65          2HG       PRO  65 -15.700   1.115   5.782
  442   1HD   PRO  65          1HD       PRO  65 -16.233   1.493   2.860
  443   2HD   PRO  65          2HD       PRO  65 -14.908   2.125   3.850
  444    H    ASP  66           H        ASP  66 -15.223  -0.985   1.388
  445    HA   ASP  66           HA       ASP  66 -16.948  -3.292   0.978
  446   1HB   ASP  66          1HB       ASP  66 -16.083  -0.991  -0.636
  447   2HB   ASP  66          2HB       ASP  66 -16.193  -2.501  -1.530
  448    H    GLU  67           H        GLU  67 -13.615  -2.308   0.507
  449    HA   GLU  67           HA       GLU  67 -12.916  -4.835  -0.749
  450   1HB   GLU  67          1HB       GLU  67 -11.649  -3.106  -1.655
  451   2HB   GLU  67          2HB       GLU  67 -11.444  -2.306  -0.102
  452   1HG   GLU  67          1HG       GLU  67 -10.207  -4.979  -0.575
  453   2HG   GLU  67          2HG       GLU  67  -9.446  -3.524  -1.215
  454    H    ASN  68           H        ASN  68 -12.483  -3.159   2.312
  455    HA   ASN  68           HA       ASN  68 -10.813  -5.111   3.520
  456   1HB   ASN  68          1HB       ASN  68 -11.052  -2.736   4.293
  457   2HB   ASN  68          2HB       ASN  68 -12.653  -3.147   4.901
  458   1HD2  ASN  68          2HD2      ASN  68 -12.778  -4.823   6.541
  459   2HD2  ASN  68          1HD2      ASN  68 -11.473  -5.002   7.657
  460    H    ASP  69           H        ASP  69 -14.237  -4.803   3.067
  461    HA   ASP  69           HA       ASP  69 -14.907  -6.808   5.039
  462   1HB   ASP  69          1HB       ASP  69 -16.463  -4.955   4.563
  463   2HB   ASP  69          2HB       ASP  69 -16.626  -5.522   2.904
  464    H    LEU  70           H        LEU  70 -14.400  -6.601   1.585
  465    HA   LEU  70           HA       LEU  70 -15.433  -9.204   0.993
  466   1HB   LEU  70          1HB       LEU  70 -14.996  -8.722  -1.185
  467   2HB   LEU  70          2HB       LEU  70 -14.990  -7.089  -0.547
  468    HG   LEU  70           HG       LEU  70 -12.415  -7.512  -0.273
  469   1HD1  LEU  70          1HD1      LEU  70 -13.051  -9.963  -1.216
  470   2HD1  LEU  70          2HD1      LEU  70 -12.633  -9.134  -2.716
  471   3HD1  LEU  70          3HD1      LEU  70 -11.465  -9.213  -1.396
  472   1HD2  LEU  70          1HD2      LEU  70 -13.859  -6.041  -1.943
  473   2HD2  LEU  70          2HD2      LEU  70 -12.115  -6.222  -2.124
  474   3HD2  LEU  70          3HD2      LEU  70 -13.209  -7.188  -3.113
  475    H    LEU  71           H        LEU  71 -12.426  -7.943   2.111
  476    HA   LEU  71           HA       LEU  71 -10.914 -10.312   1.396
  477   1HB   LEU  71          1HB       LEU  71 -10.277  -7.645   1.981
  478   2HB   LEU  71          2HB       LEU  71  -9.608  -8.582   3.303
  479    HG   LEU  71           HG       LEU  71  -7.884  -8.368   1.696
  480   1HD1  LEU  71          1HD1      LEU  71  -8.985 -10.889   2.349
  481   2HD1  LEU  71          2HD1      LEU  71  -8.405 -10.974   0.686
  482   3HD1  LEU  71          3HD1      LEU  71  -7.309 -10.487   1.979
  483   1HD2  LEU  71          1HD2      LEU  71  -9.663  -7.859  -0.147
  484   2HD2  LEU  71          2HD2      LEU  71  -8.097  -8.539  -0.589
  485   3HD2  LEU  71          3HD2      LEU  71  -9.515  -9.583  -0.486
  486    H    GLN  72           H        GLN  72 -12.335  -8.835   4.260
  487    HA   GLN  72           HA       GLN  72 -11.233 -10.585   6.173
  488   1HB   GLN  72          1HB       GLN  72 -13.560  -8.721   6.095
  489   2HB   GLN  72          2HB       GLN  72 -13.480  -9.893   7.404
  490   1HG   GLN  72          1HG       GLN  72 -10.969  -8.487   6.976
  491   2HG   GLN  72          2HG       GLN  72 -12.310  -7.416   7.379
  492   1HE2  GLN  72          2HE2      GLN  72 -10.191  -9.897   8.491
  493   2HE2  GLN  72          1HE2      GLN  72 -10.677  -9.870  10.149
  494    H    SER  73           H        SER  73 -13.941 -10.861   4.004
  495    HA   SER  73           HA       SER  73 -15.441 -12.858   5.180
  496   1HB   SER  73          1HB       SER  73 -16.157 -11.747   3.137
  497   2HB   SER  73          2HB       SER  73 -14.812 -12.460   2.245
  498    HG   SER  73           HG       SER  73 -16.853 -13.574   2.003
  499    H    THR  74           H        THR  74 -12.261 -13.027   3.900
  500    HA   THR  74           HA       THR  74 -12.185 -15.815   3.335
  501    HB   THR  74           HB       THR  74  -9.795 -15.541   3.166
  502    HG1  THR  74           HG1      THR  74 -10.281 -13.288   4.751
  503   1HG2  THR  74          1HG2      THR  74 -11.586 -13.719   1.857
  504   2HG2  THR  74          2HG2      THR  74  -9.996 -12.988   2.081
  505   3HG2  THR  74          3HG2      THR  74 -10.147 -14.528   1.236
  506    H    GLY  75           H        GLY  75 -11.378 -13.852   6.162
  507   1HA   GLY  75          1HA       GLY  75 -11.803 -14.785   8.363
  508   2HA   GLY  75          2HA       GLY  75 -11.285 -16.344   7.739
  509    H    GLU  76           H        GLU  76  -9.484 -13.547   6.820
  510    HA   GLU  76           HA       GLU  76  -7.339 -14.356   8.671
  511   1HB   GLU  76          1HB       GLU  76  -7.226 -13.296   5.855
  512   2HB   GLU  76          2HB       GLU  76  -5.824 -13.270   6.915
  513   1HG   GLU  76          1HG       GLU  76  -5.922 -15.689   7.131
  514   2HG   GLU  76          2HG       GLU  76  -7.357 -15.732   6.107
  515    HA   PRO  77           HA       PRO  77  -8.270 -10.362  10.538
  516   1HB   PRO  77          1HB       PRO  77  -5.723 -11.101  11.904
  517   2HB   PRO  77          2HB       PRO  77  -7.245 -10.528  12.596
  518   1HG   PRO  77          1HG       PRO  77  -6.585 -13.091  12.770
  519   2HG   PRO  77          2HG       PRO  77  -8.259 -12.615  12.427
  520   1HD   PRO  77          1HD       PRO  77  -6.170 -13.680  10.571
  521   2HD   PRO  77          2HD       PRO  77  -7.917 -13.998  10.606
  522    H    MET  78           H        MET  78  -7.221  -8.305  10.663
  523    HA   MET  78           HA       MET  78  -4.792  -8.042   9.028
  524   1HB   MET  78          1HB       MET  78  -6.966  -5.993   8.841
  525   2HB   MET  78          2HB       MET  78  -5.689  -6.367   7.691
  526   1HG   MET  78          1HG       MET  78  -6.821  -8.153   6.801
  527   2HG   MET  78          2HG       MET  78  -7.779  -8.410   8.258
  528   1HE   MET  78          1HE       MET  78  -8.924  -6.339   9.206
  529   2HE   MET  78          2HE       MET  78  -9.489  -4.958   8.265
  530   3HE   MET  78          3HE       MET  78 -10.499  -6.396   8.415
  531    H    THR  79           H        THR  79  -4.327  -5.411   9.132
  532    HA   THR  79           HA       THR  79  -4.374  -4.687  11.984
  533    HB   THR  79           HB       THR  79  -2.024  -3.639  11.354
  534    HG1  THR  79           HG1      THR  79  -2.510  -4.855   9.160
  535   1HG2  THR  79          1HG2      THR  79  -2.801  -6.137  12.540
  536   2HG2  THR  79          2HG2      THR  79  -1.254  -6.284  11.706
  537   3HG2  THR  79          3HG2      THR  79  -1.470  -5.057  12.953
  538    H    ALA  80           H        ALA  80  -3.265  -2.286  12.020
  539    HA   ALA  80           HA       ALA  80  -5.197  -0.649  10.661
  540   1HB   ALA  80          1HB       ALA  80  -3.285  -0.323  12.839
  541   2HB   ALA  80          2HB       ALA  80  -3.410   1.096  11.797
  542   3HB   ALA  80          3HB       ALA  80  -4.851   0.445  12.578
  543    H    GLY  81           H        GLY  81  -4.977   0.282   8.741
  544   1HA   GLY  81          1HA       GLY  81  -3.875   1.519   7.076
  545   2HA   GLY  81          2HA       GLY  81  -2.337   1.091   7.808
  546    H    THR  82           H        THR  82  -3.962  -1.724   7.689
  547    HA   THR  82           HA       THR  82  -2.457  -2.664   5.433
  548    HB   THR  82           HB       THR  82  -4.516  -4.453   6.533
  549    HG1  THR  82           HG1      THR  82  -2.580  -3.248   8.199
  550   1HG2  THR  82          1HG2      THR  82  -2.461  -5.089   5.165
  551   2HG2  THR  82          2HG2      THR  82  -1.547  -4.813   6.648
  552   3HG2  THR  82          3HG2      THR  82  -2.813  -6.041   6.608
  553    H    ARG  83           H        ARG  83  -3.118  -2.367   3.407
  554    HA   ARG  83           HA       ARG  83  -5.652  -3.264   2.491
  555   1HB   ARG  83          1HB       ARG  83  -5.226  -0.310   2.846
  556   2HB   ARG  83          2HB       ARG  83  -6.272  -0.916   1.570
  557   1HG   ARG  83          1HG       ARG  83  -7.292  -2.271   3.634
  558   2HG   ARG  83          2HG       ARG  83  -6.680  -0.853   4.491
  559   1HD   ARG  83          1HD       ARG  83  -8.257  -0.477   1.990
  560   2HD   ARG  83          2HD       ARG  83  -9.104  -0.872   3.484
  561    HE   ARG  83           HE       ARG  83  -8.021   1.648   2.776
  562   1HH1  ARG  83          1HH1      ARG  83  -8.372  -0.514   5.483
  563   2HH1  ARG  83          2HH1      ARG  83  -8.399   0.752   6.664
  564   1HH2  ARG  83          1HH2      ARG  83  -8.063   3.330   4.331
  565   2HH2  ARG  83          2HH2      ARG  83  -8.222   2.936   6.009
  566    H    LEU  84           H        LEU  84  -5.776  -3.336   0.211
  567    HA   LEU  84           HA       LEU  84  -3.318  -3.523  -1.141
  568   1HB   LEU  84          1HB       LEU  84  -4.756  -3.613  -3.216
  569   2HB   LEU  84          2HB       LEU  84  -5.096  -4.818  -1.988
  570    HG   LEU  84           HG       LEU  84  -6.891  -2.988  -1.240
  571   1HD1  LEU  84          1HD1      LEU  84  -5.981  -2.093  -3.825
  572   2HD1  LEU  84          2HD1      LEU  84  -7.698  -2.492  -3.859
  573   3HD1  LEU  84          3HD1      LEU  84  -7.090  -1.320  -2.692
  574   1HD2  LEU  84          1HD2      LEU  84  -6.890  -5.405  -2.765
  575   2HD2  LEU  84          2HD2      LEU  84  -8.131  -4.774  -1.683
  576   3HD2  LEU  84          3HD2      LEU  84  -8.135  -4.322  -3.388
  577    H    SER  85           H        SER  85  -2.317  -2.177  -2.638
  578    HA   SER  85           HA       SER  85  -2.954   0.640  -2.301
  579   1HB   SER  85          1HB       SER  85  -0.566  -0.833  -3.389
  580   2HB   SER  85          2HB       SER  85  -0.733   0.916  -3.550
  581    HG   SER  85           HG       SER  85  -0.858   1.036  -1.275
  582    H    CYS  86           H        CYS  86  -2.976  -1.795  -4.822
  583    HA   CYS  86           HA       CYS  86  -2.946  -0.311  -7.115
  584   1HB   CYS  86          1HB       CYS  86  -4.342  -2.024  -8.156
  585   2HB   CYS  86          2HB       CYS  86  -3.130  -2.753  -7.111
  586    H    GLN  87           H        GLN  87  -5.354  -0.215  -4.652
  587    HA   GLN  87           HA       GLN  87  -7.095   1.358  -6.429
  588   1HB   GLN  87          1HB       GLN  87  -7.910  -0.801  -5.189
  589   2HB   GLN  87          2HB       GLN  87  -8.034   0.274  -3.803
  590   1HG   GLN  87          1HG       GLN  87  -9.625   1.644  -4.894
  591   2HG   GLN  87          2HG       GLN  87  -9.341   0.855  -6.443
  592   1HE2  GLN  87          2HE2      GLN  87 -11.512   1.122  -4.087
  593   2HE2  GLN  87          1HE2      GLN  87 -12.263  -0.433  -4.161
  594    H    VAL  88           H        VAL  88  -4.688   1.999  -4.423
  595    HA   VAL  88           HA       VAL  88  -6.090   4.232  -3.124
  596    HB   VAL  88           HB       VAL  88  -3.630   2.714  -2.283
  597   1HG1  VAL  88          1HG1      VAL  88  -3.461   5.148  -1.947
  598   2HG1  VAL  88          2HG1      VAL  88  -4.899   5.072  -0.928
  599   3HG1  VAL  88          3HG1      VAL  88  -3.432   4.220  -0.445
  600   1HG2  VAL  88          1HG2      VAL  88  -5.960   1.750  -1.876
  601   2HG2  VAL  88          2HG2      VAL  88  -4.885   1.886  -0.489
  602   3HG2  VAL  88          3HG2      VAL  88  -6.176   3.060  -0.723
  603    H    PHE  89           H        PHE  89  -5.702   6.030  -4.339
  604    HA   PHE  89           HA       PHE  89  -3.024   6.306  -5.497
  605   1HB   PHE  89          1HB       PHE  89  -5.537   7.731  -6.336
  606   2HB   PHE  89          2HB       PHE  89  -3.997   7.695  -7.195
  607    HD1  PHE  89           HD1      PHE  89  -3.721   4.666  -6.245
  608    HD2  PHE  89           HD2      PHE  89  -6.570   6.901  -8.478
  609    HE1  PHE  89           HE1      PHE  89  -4.420   2.597  -7.406
  610    HE2  PHE  89           HE2      PHE  89  -7.281   4.848  -9.649
  611    HZ   PHE  89           HZ       PHE  89  -6.203   2.690  -9.116
  612    H    ILE  90           H        ILE  90  -1.845   8.075  -5.379
  613    HA   ILE  90           HA       ILE  90  -1.748   9.596  -3.090
  614    HB   ILE  90           HB       ILE  90  -0.584  10.032  -5.835
  615   1HG1  ILE  90          1HG1      ILE  90  -0.063   8.044  -4.130
  616   2HG1  ILE  90          2HG1      ILE  90   1.183   8.766  -5.145
  617   1HG2  ILE  90          1HG2      ILE  90  -0.181  11.574  -3.313
  618   2HG2  ILE  90          2HG2      ILE  90   1.141  11.353  -4.452
  619   3HG2  ILE  90          3HG2      ILE  90  -0.336  12.164  -4.961
  620   1HD1  ILE  90          1HD1      ILE  90   1.818  10.252  -3.289
  621   2HD1  ILE  90          2HD1      ILE  90   0.592   9.463  -2.288
  622   3HD1  ILE  90          3HD1      ILE  90   1.969   8.534  -2.873
  623    H    ASP  91           H        ASP  91  -1.919  11.883  -2.807
  624    HA   ASP  91           HA       ASP  91  -3.283  13.633  -4.510
  625   1HB   ASP  91          1HB       ASP  91  -5.444  13.560  -3.748
  626   2HB   ASP  91          2HB       ASP  91  -5.023  11.914  -3.304
  627    HA   PRO  92           HA       PRO  92  -1.165  16.374  -1.749
  628   1HB   PRO  92          1HB       PRO  92  -3.538  18.132  -1.521
  629   2HB   PRO  92          2HB       PRO  92  -1.932  18.489  -2.167
  630   1HG   PRO  92          1HG       PRO  92  -4.025  18.221  -3.802
  631   2HG   PRO  92          2HG       PRO  92  -2.430  17.591  -4.256
  632   1HD   PRO  92          1HD       PRO  92  -4.800  16.118  -3.156
  633   2HD   PRO  92          2HD       PRO  92  -3.724  15.653  -4.496
  634    H    SER  93           H        SER  93  -2.743  14.239  -0.533
  635    HA   SER  93           HA       SER  93  -3.188  15.345   2.140
  636   1HB   SER  93          1HB       SER  93  -5.199  14.284   2.271
  637   2HB   SER  93          2HB       SER  93  -5.100  14.200   0.501
  638    HG   SER  93           HG       SER  93  -4.696  12.130   0.628
  639    H    MET  94           H        MET  94  -2.006  12.811   0.082
  640    HA   MET  94           HA       MET  94  -0.683  11.446   2.312
  641   1HB   MET  94          1HB       MET  94  -1.652  10.436  -0.371
  642   2HB   MET  94          2HB       MET  94  -0.672   9.486   0.726
  643   1HG   MET  94          1HG       MET  94  -2.411   8.995   2.044
  644   2HG   MET  94          2HG       MET  94  -3.083  10.619   1.931
  645   1HE   MET  94          1HE       MET  94  -2.258   7.499   0.044
  646   2HE   MET  94          2HE       MET  94  -3.700   7.098  -0.890
  647   3HE   MET  94          3HE       MET  94  -2.551   8.284  -1.508
  648    H    ASP  95           H        ASP  95   0.499  13.693   1.295
  649    HA   ASP  95           HA       ASP  95   2.334  12.906  -0.734
  650   1HB   ASP  95          1HB       ASP  95   2.694  15.527   0.541
  651   2HB   ASP  95          2HB       ASP  95   2.594  15.143  -1.161
  652    H    GLY  96           H        GLY  96   4.325  12.161  -0.309
  653   1HA   GLY  96          1HA       GLY  96   6.282  11.794   0.918
  654   2HA   GLY  96          2HA       GLY  96   5.695  12.942   2.110
  655    H    LEU  97           H        LEU  97   3.675  10.353   0.967
  656    HA   LEU  97           HA       LEU  97   3.369   9.458   3.634
  657   1HB   LEU  97          1HB       LEU  97   1.577   8.149   2.986
  658   2HB   LEU  97          2HB       LEU  97   1.503   9.553   1.955
  659    HG   LEU  97           HG       LEU  97   0.935   7.300   0.941
  660   1HD1  LEU  97          1HD1      LEU  97   2.791   9.295  -0.239
  661   2HD1  LEU  97          2HD1      LEU  97   2.325   7.868  -1.164
  662   3HD1  LEU  97          3HD1      LEU  97   1.092   8.982  -0.580
  663   1HD2  LEU  97          1HD2      LEU  97   2.956   6.150   1.941
  664   2HD2  LEU  97          2HD2      LEU  97   2.607   5.821   0.244
  665   3HD2  LEU  97          3HD2      LEU  97   3.900   6.936   0.678
  666    H    ILE  98           H        ILE  98   3.498   7.301   4.362
  667    HA   ILE  98           HA       ILE  98   5.912   6.056   3.309
  668    HB   ILE  98           HB       ILE  98   4.889   6.057   6.084
  669   1HG1  ILE  98          1HG1      ILE  98   6.938   7.367   6.548
  670   2HG1  ILE  98          2HG1      ILE  98   7.247   7.405   4.809
  671   1HG2  ILE  98          1HG2      ILE  98   6.193   3.990   5.170
  672   2HG2  ILE  98          2HG2      ILE  98   7.581   5.050   5.421
  673   3HG2  ILE  98          3HG2      ILE  98   6.523   4.650   6.774
  674   1HD1  ILE  98          1HD1      ILE  98   4.564   8.199   5.500
  675   2HD1  ILE  98          2HD1      ILE  98   5.788   9.240   6.228
  676   3HD1  ILE  98          3HD1      ILE  98   5.749   9.012   4.478
  677    H    VAL  99           H        VAL  99   5.982   3.926   2.831
  678    HA   VAL  99           HA       VAL  99   3.570   2.415   3.438
  679    HB   VAL  99           HB       VAL  99   4.959   1.613   1.032
  680   1HG1  VAL  99          1HG1      VAL  99   2.311   1.668   2.257
  681   2HG1  VAL  99          2HG1      VAL  99   2.332   1.833   0.495
  682   3HG1  VAL  99          3HG1      VAL  99   3.086   0.431   1.255
  683   1HG2  VAL  99          1HG2      VAL  99   5.062   4.077   0.826
  684   2HG2  VAL  99          2HG2      VAL  99   3.982   3.348  -0.362
  685   3HG2  VAL  99          3HG2      VAL  99   3.315   4.142   1.064
  686    H    ARG 100           H        ARG 100   3.735   0.152   3.637
  687    HA   ARG 100           HA       ARG 100   6.453  -0.891   4.022
  688   1HB   ARG 100          1HB       ARG 100   4.130  -1.336   5.908
  689   2HB   ARG 100          2HB       ARG 100   5.724  -2.061   6.054
  690   1HG   ARG 100          1HG       ARG 100   6.701   0.155   6.383
  691   2HG   ARG 100          2HG       ARG 100   5.100   0.880   6.239
  692   1HD   ARG 100          1HD       ARG 100   4.353  -0.144   8.235
  693   2HD   ARG 100          2HD       ARG 100   5.746  -1.222   8.288
  694    HE   ARG 100           HE       ARG 100   5.604   1.445   9.292
  695   1HH1  ARG 100          1HH1      ARG 100   7.739  -0.927   7.903
  696   2HH1  ARG 100          2HH1      ARG 100   9.167  -0.247   8.609
  697   1HH2  ARG 100          1HH2      ARG 100   7.477   2.353  10.228
  698   2HH2  ARG 100          2HH2      ARG 100   9.019   1.620   9.932
  699    H    VAL 101           H        VAL 101   6.426  -3.333   4.185
  700    HA   VAL 101           HA       VAL 101   4.313  -4.428   2.448
  701    HB   VAL 101           HB       VAL 101   7.240  -5.184   2.452
  702   1HG1  VAL 101          1HG1      VAL 101   5.651  -7.063   2.026
  703   2HG1  VAL 101          2HG1      VAL 101   5.053  -6.169   0.627
  704   3HG1  VAL 101          3HG1      VAL 101   6.733  -6.706   0.680
  705   1HG2  VAL 101          1HG2      VAL 101   6.311  -2.972   1.350
  706   2HG2  VAL 101          2HG2      VAL 101   7.528  -3.960   0.544
  707   3HG2  VAL 101          3HG2      VAL 101   5.834  -4.090   0.072
  708    HA   PRO 102           HA       PRO 102   3.855  -7.146   5.990
  709   1HB   PRO 102          1HB       PRO 102   1.627  -8.384   5.139
  710   2HB   PRO 102          2HB       PRO 102   1.593  -6.717   5.729
  711   1HG   PRO 102          1HG       PRO 102   1.665  -7.722   2.904
  712   2HG   PRO 102          2HG       PRO 102   0.646  -6.453   3.610
  713   1HD   PRO 102          1HD       PRO 102   2.900  -5.909   2.198
  714   2HD   PRO 102          2HD       PRO 102   2.327  -4.880   3.525
  715    H    LEU 103           H        LEU 103   3.271  -9.607   6.107
  716    HA   LEU 103           HA       LEU 103   3.861 -11.338   3.997
  717   1HB   LEU 103          1HB       LEU 103   6.182 -10.236   5.409
  718   2HB   LEU 103          2HB       LEU 103   6.168 -11.987   5.321
  719    HG   LEU 103           HG       LEU 103   5.556 -10.748   2.755
  720   1HD1  LEU 103          1HD1      LEU 103   7.157  -9.098   3.923
  721   2HD1  LEU 103          2HD1      LEU 103   8.371 -10.355   3.689
  722   3HD1  LEU 103          3HD1      LEU 103   7.546  -9.655   2.296
  723   1HD2  LEU 103          1HD2      LEU 103   6.988 -13.011   3.873
  724   2HD2  LEU 103          2HD2      LEU 103   6.221 -12.824   2.295
  725   3HD2  LEU 103          3HD2      LEU 103   7.867 -12.244   2.551
  726    HA   PRO 104           HA       PRO 104   2.311 -14.248   6.896
  727   1HB   PRO 104          1HB       PRO 104   4.033 -16.339   5.758
  728   2HB   PRO 104          2HB       PRO 104   2.273 -16.204   5.733
  729   1HG   PRO 104          1HG       PRO 104   3.756 -15.845   3.517
  730   2HG   PRO 104          2HG       PRO 104   2.262 -14.934   3.809
  731   1HD   PRO 104          1HD       PRO 104   5.112 -14.072   4.160
  732   2HD   PRO 104          2HD       PRO 104   3.734 -13.168   3.494
  733    H    ALA 105           H        ALA 105   3.874 -12.910   8.384
  734    HA   ALA 105           HA       ALA 105   5.422 -14.892   9.865
  735   1HB   ALA 105          1HB       ALA 105   6.689 -12.997   8.233
  736   2HB   ALA 105          2HB       ALA 105   6.888 -12.425   9.889
  737   3HB   ALA 105          3HB       ALA 105   7.430 -14.043   9.445
  Start of MODEL   10
    1   2H    PRO   1          2H        PRO   1   3.942  14.645  -5.389
    2   1H    PRO   1          1H        PRO   1   4.730  13.203  -5.526
    3    HA   PRO   1           HA       PRO   1   4.448  14.795  -3.381
    4   1HB   PRO   1          1HB       PRO   1   3.504  12.098  -2.609
    5   2HB   PRO   1          2HB       PRO   1   3.125  13.660  -1.912
    6   1HG   PRO   1          1HG       PRO   1   1.335  12.533  -3.376
    7   2HG   PRO   1          2HG       PRO   1   1.699  14.244  -3.666
    8   1HD   PRO   1          1HD       PRO   1   2.801  11.845  -5.122
    9   2HD   PRO   1          2HD       PRO   1   1.963  13.235  -5.812
   10    H    ARG   2           H        ARG   2   5.129  13.081  -1.441
   11    HA   ARG   2           HA       ARG   2   7.628  11.821  -2.430
   12   1HB   ARG   2          1HB       ARG   2   8.548  13.438  -1.090
   13   2HB   ARG   2          2HB       ARG   2   7.084  13.629  -0.140
   14   1HG   ARG   2          1HG       ARG   2   8.601  12.790   1.385
   15   2HG   ARG   2          2HG       ARG   2   7.716  11.349   0.892
   16   1HD   ARG   2          1HD       ARG   2   9.556  10.403   0.060
   17   2HD   ARG   2          2HD       ARG   2   9.991  11.864  -0.827
   18    HE   ARG   2           HE       ARG   2  10.635  12.435   1.756
   19   1HH1  ARG   2          1HH1      ARG   2  11.457   9.878  -0.459
   20   2HH1  ARG   2          2HH1      ARG   2  13.020   9.602   0.237
   21   1HH2  ARG   2          1HH2      ARG   2  12.688  12.079   2.683
   22   2HH2  ARG   2          2HH2      ARG   2  13.719  10.853   2.024
   23    H    VAL   3           H        VAL   3   8.257   9.794  -1.129
   24    HA   VAL   3           HA       VAL   3   6.094   8.799   0.489
   25    HB   VAL   3           HB       VAL   3   6.452   8.063  -2.320
   26   1HG1  VAL   3          1HG1      VAL   3   7.235   6.024  -0.959
   27   2HG1  VAL   3          2HG1      VAL   3   5.534   5.882  -0.528
   28   3HG1  VAL   3          3HG1      VAL   3   6.028   5.849  -2.231
   29   1HG2  VAL   3          1HG2      VAL   3   4.322   8.113  -0.287
   30   2HG2  VAL   3          2HG2      VAL   3   4.424   8.976  -1.826
   31   3HG2  VAL   3          3HG2      VAL   3   4.094   7.241  -1.802
   32    H    VAL   4           H        VAL   4   6.511   6.501   1.178
   33    HA   VAL   4           HA       VAL   4   9.276   5.717   1.088
   34    HB   VAL   4           HB       VAL   4   8.110   6.786   3.626
   35   1HG1  VAL   4          1HG1      VAL   4   9.765   4.401   3.307
   36   2HG1  VAL   4          2HG1      VAL   4  10.502   5.623   4.348
   37   3HG1  VAL   4          3HG1      VAL   4   8.898   4.992   4.728
   38   1HG2  VAL   4          1HG2      VAL   4  10.635   7.113   2.046
   39   2HG2  VAL   4          2HG2      VAL   4   9.429   8.338   2.449
   40   3HG2  VAL   4          3HG2      VAL   4  10.488   7.693   3.707
   41    H    PHE   5           H        PHE   5   9.118   3.752   0.555
   42    HA   PHE   5           HA       PHE   5   6.978   2.026   1.588
   43   1HB   PHE   5          1HB       PHE   5   9.053   1.725  -0.572
   44   2HB   PHE   5          2HB       PHE   5   8.058   0.385  -0.041
   45    HD1  PHE   5           HD1      PHE   5   6.662   3.835  -0.384
   46    HD2  PHE   5           HD2      PHE   5   7.163  -0.002  -2.160
   47    HE1  PHE   5           HE1      PHE   5   5.070   4.410  -2.140
   48    HE2  PHE   5           HE2      PHE   5   5.576   0.552  -3.872
   49    HZ   PHE   5           HZ       PHE   5   4.496   2.756  -3.880
   50    H    ILE   6           H        ILE   6   7.814  -0.307   1.962
   51    HA   ILE   6           HA       ILE   6  10.429  -0.522   3.135
   52    HB   ILE   6           HB       ILE   6   8.157  -1.389   4.848
   53   1HG1  ILE   6          1HG1      ILE   6   7.918   1.064   4.170
   54   2HG1  ILE   6          2HG1      ILE   6   7.937   0.710   5.890
   55   1HG2  ILE   6          1HG2      ILE   6  11.001  -1.209   4.936
   56   2HG2  ILE   6          2HG2      ILE   6  10.289  -0.346   6.297
   57   3HG2  ILE   6          3HG2      ILE   6   9.897  -2.045   6.026
   58   1HD1  ILE   6          1HD1      ILE   6  10.560   1.258   4.775
   59   2HD1  ILE   6          2HD1      ILE   6   9.429   2.598   4.625
   60   3HD1  ILE   6          3HD1      ILE   6   9.779   1.912   6.213
   61    H    ASP   7           H        ASP   7  10.891  -2.784   3.796
   62    HA   ASP   7           HA       ASP   7   9.116  -4.881   3.177
   63   1HB   ASP   7          1HB       ASP   7   9.855  -3.937   0.870
   64   2HB   ASP   7          2HB       ASP   7  11.359  -4.789   1.204
   65    H    GLU   8           H        GLU   8  10.226  -7.003   3.131
   66    HA   GLU   8           HA       GLU   8  12.150  -7.087   5.275
   67   1HB   GLU   8          1HB       GLU   8  10.757  -8.831   5.644
   68   2HB   GLU   8          2HB       GLU   8  10.312  -8.965   3.950
   69   1HG   GLU   8          1HG       GLU   8  11.365 -10.977   4.476
   70   2HG   GLU   8          2HG       GLU   8  12.575 -10.053   3.592
   71    H    GLN   9           H        GLN   9  12.396  -6.743   1.989
   72    HA   GLN   9           HA       GLN   9  14.780  -8.376   1.667
   73   1HB   GLN   9          1HB       GLN   9  12.966  -6.871  -0.133
   74   2HB   GLN   9          2HB       GLN   9  14.646  -6.998  -0.641
   75   1HG   GLN   9          1HG       GLN   9  13.269  -9.472   0.243
   76   2HG   GLN   9          2HG       GLN   9  12.832  -8.790  -1.323
   77   1HE2  GLN   9          2HE2      GLN   9  15.980  -8.711   0.247
   78   2HE2  GLN   9          1HE2      GLN   9  16.803  -9.657  -0.942
   79    H    SER  10           H        SER  10  13.855  -4.994   1.934
   80    HA   SER  10           HA       SER  10  16.706  -4.316   2.221
   81   1HB   SER  10          1HB       SER  10  15.435  -3.541   0.049
   82   2HB   SER  10          2HB       SER  10  14.790  -2.298   1.118
   83    HG   SER  10           HG       SER  10  16.856  -1.878  -0.068
   84    H    GLY  11           H        GLY  11  13.679  -4.374   3.654
   85   1HA   GLY  11          1HA       GLY  11  12.900  -3.530   5.649
   86   2HA   GLY  11          2HA       GLY  11  14.562  -3.110   6.006
   87    H    GLU  12           H        GLU  12  13.303  -1.804   3.140
   88    HA   GLU  12           HA       GLU  12  11.874   0.401   3.855
   89   1HB   GLU  12          1HB       GLU  12  13.406   1.331   5.308
   90   2HB   GLU  12          2HB       GLU  12  14.790   0.776   4.376
   91   1HG   GLU  12          1HG       GLU  12  14.302   2.444   2.657
   92   2HG   GLU  12          2HG       GLU  12  12.916   3.002   3.593
   93    H    TYR  13           H        TYR  13  11.443   1.731   2.188
   94    HA   TYR  13           HA       TYR  13  13.065   1.600  -0.211
   95   1HB   TYR  13          1HB       TYR  13  10.265   0.549   0.010
   96   2HB   TYR  13          2HB       TYR  13  10.945   1.061  -1.533
   97    HD1  TYR  13           HD1      TYR  13  11.542  -1.191   1.350
   98    HD2  TYR  13           HD2      TYR  13  12.260  -0.412  -2.760
   99    HE1  TYR  13           HE1      TYR  13  12.607  -3.407   1.130
  100    HE2  TYR  13           HE2      TYR  13  13.293  -2.609  -3.022
  101    HH   TYR  13           HH       TYR  13  13.702  -4.796  -0.231
  102    H    ALA  14           H        ALA  14  13.090   3.798   1.062
  103    HA   ALA  14           HA       ALA  14  11.020   5.625   0.976
  104   1HB   ALA  14          1HB       ALA  14  13.989   5.892   0.889
  105   2HB   ALA  14          2HB       ALA  14  12.990   7.320   0.618
  106   3HB   ALA  14          3HB       ALA  14  12.848   6.417   2.127
  107    H    VAL  15           H        VAL  15  10.049   6.817  -0.545
  108    HA   VAL  15           HA       VAL  15  11.240   7.184  -3.143
  109    HB   VAL  15           HB       VAL  15  10.185   4.876  -3.037
  110   1HG1  VAL  15          1HG1      VAL  15   7.692   6.534  -3.038
  111   2HG1  VAL  15          2HG1      VAL  15   7.752   4.924  -3.787
  112   3HG1  VAL  15          3HG1      VAL  15   8.101   5.108  -2.073
  113   1HG2  VAL  15          1HG2      VAL  15  10.315   6.827  -5.105
  114   2HG2  VAL  15          2HG2      VAL  15  10.528   5.081  -5.207
  115   3HG2  VAL  15          3HG2      VAL  15   8.913   5.779  -5.349
  116    H    ASP  16           H        ASP  16   8.872   7.647  -4.480
  117    HA   ASP  16           HA       ASP  16   7.413   9.698  -3.099
  118   1HB   ASP  16          1HB       ASP  16   8.655  10.358  -5.706
  119   2HB   ASP  16          2HB       ASP  16   8.018  11.449  -4.486
  120    H    ALA  17           H        ALA  17   5.640  10.406  -4.385
  121    HA   ALA  17           HA       ALA  17   5.026   8.678  -6.662
  122   1HB   ALA  17          1HB       ALA  17   4.212   8.076  -4.237
  123   2HB   ALA  17          2HB       ALA  17   2.928   9.221  -4.684
  124   3HB   ALA  17          3HB       ALA  17   3.216   7.782  -5.680
  125    H    GLN  18           H        GLN  18   2.591   9.437  -7.312
  126    HA   GLN  18           HA       GLN  18   2.535  12.366  -7.404
  127   1HB   GLN  18          1HB       GLN  18   2.205  10.648  -9.868
  128   2HB   GLN  18          2HB       GLN  18   2.199  12.404  -9.797
  129   1HG   GLN  18          1HG       GLN  18   4.493  12.517  -9.393
  130   2HG   GLN  18          2HG       GLN  18   4.585  10.820  -8.925
  131   1HE2  GLN  18          2HE2      GLN  18   5.578   9.620 -10.365
  132   2HE2  GLN  18          1HE2      GLN  18   5.537   9.833 -12.079
  133    H    ASP  19           H        ASP  19   0.533  13.227  -7.244
  134    HA   ASP  19           HA       ASP  19  -1.625  11.956  -6.267
  135   1HB   ASP  19          1HB       ASP  19  -1.898  14.137  -8.306
  136   2HB   ASP  19          2HB       ASP  19  -3.016  13.758  -7.012
  137    H    GLY  20           H        GLY  20  -2.256  10.026  -6.928
  138   1HA   GLY  20          1HA       GLY  20  -4.017   9.097  -8.411
  139   2HA   GLY  20          2HA       GLY  20  -3.088   9.764  -9.745
  140    H    GLN  21           H        GLN  21  -0.788   8.743  -7.644
  141    HA   GLN  21           HA       GLN  21  -0.593   6.160  -9.030
  142   1HB   GLN  21          1HB       GLN  21   1.460   7.942  -7.742
  143   2HB   GLN  21          2HB       GLN  21   1.812   6.272  -8.164
  144   1HG   GLN  21          1HG       GLN  21   1.628   6.675 -10.442
  145   2HG   GLN  21          2HG       GLN  21   0.719   8.162 -10.195
  146   1HE2  GLN  21          2HE2      GLN  21   3.357   7.771  -8.109
  147   2HE2  GLN  21          1HE2      GLN  21   4.449   8.832  -8.908
  148    H    SER  22           H        SER  22  -0.397   4.264  -7.942
  149    HA   SER  22           HA       SER  22  -1.142   4.331  -5.125
  150   1HB   SER  22          1HB       SER  22  -2.043   2.234  -5.445
  151   2HB   SER  22          2HB       SER  22  -2.102   2.807  -7.110
  152    HG   SER  22           HG       SER  22  -0.707   1.332  -7.628
  153    H    LEU  23           H        LEU  23  -0.097   2.488  -3.759
  154    HA   LEU  23           HA       LEU  23   2.738   2.964  -3.743
  155   1HB   LEU  23          1HB       LEU  23   2.447   2.526  -1.581
  156   2HB   LEU  23          2HB       LEU  23   0.792   2.047  -1.886
  157    HG   LEU  23           HG       LEU  23   2.172  -0.236  -2.571
  158   1HD1  LEU  23          1HD1      LEU  23   3.814   1.318  -0.714
  159   2HD1  LEU  23          2HD1      LEU  23   3.520  -0.357  -0.256
  160   3HD1  LEU  23          3HD1      LEU  23   4.256   0.017  -1.815
  161   1HD2  LEU  23          1HD2      LEU  23   0.129  -0.062  -1.233
  162   2HD2  LEU  23          2HD2      LEU  23   1.319  -1.129  -0.491
  163   3HD2  LEU  23          3HD2      LEU  23   1.085   0.501   0.138
  164    H    MET  24           H        MET  24   0.908   1.046  -5.610
  165    HA   MET  24           HA       MET  24   2.649  -1.284  -5.602
  166   1HB   MET  24          1HB       MET  24   0.136  -1.459  -5.819
  167   2HB   MET  24          2HB       MET  24   0.293  -0.722  -7.407
  168   1HG   MET  24          1HG       MET  24   2.107  -2.799  -7.474
  169   2HG   MET  24          2HG       MET  24   0.744  -3.458  -6.571
  170   1HE   MET  24          1HE       MET  24   1.234  -5.068  -8.697
  171   2HE   MET  24          2HE       MET  24   0.398  -4.851 -10.235
  172   3HE   MET  24          3HE       MET  24   1.940  -4.044  -9.947
  173    H    GLU  25           H        GLU  25   1.978   1.598  -7.391
  174    HA   GLU  25           HA       GLU  25   3.633   0.762  -9.612
  175   1HB   GLU  25          1HB       GLU  25   2.391   3.479  -9.214
  176   2HB   GLU  25          2HB       GLU  25   2.942   2.763 -10.723
  177   1HG   GLU  25          1HG       GLU  25   1.156   1.053 -10.492
  178   2HG   GLU  25          2HG       GLU  25   0.563   1.929  -9.083
  179    H    VAL  26           H        VAL  26   3.762   3.087  -6.938
  180    HA   VAL  26           HA       VAL  26   6.126   4.316  -7.717
  181    HB   VAL  26           HB       VAL  26   6.173   3.618  -4.873
  182   1HG1  VAL  26          1HG1      VAL  26   7.512   5.296  -6.071
  183   2HG1  VAL  26          2HG1      VAL  26   6.051   6.228  -6.339
  184   3HG1  VAL  26          3HG1      VAL  26   6.630   5.955  -4.700
  185   1HG2  VAL  26          1HG2      VAL  26   3.732   3.703  -5.267
  186   2HG2  VAL  26          2HG2      VAL  26   4.394   4.913  -4.159
  187   3HG2  VAL  26          3HG2      VAL  26   3.960   5.374  -5.811
  188    H    ALA  27           H        ALA  27   5.638   1.600  -5.585
  189    HA   ALA  27           HA       ALA  27   7.948   0.618  -4.919
  190   1HB   ALA  27          1HB       ALA  27   5.450  -0.544  -5.380
  191   2HB   ALA  27          2HB       ALA  27   6.619  -1.586  -6.198
  192   3HB   ALA  27          3HB       ALA  27   6.796  -1.239  -4.475
  193    H    THR  28           H        THR  28   6.633  -0.606  -7.946
  194    HA   THR  28           HA       THR  28   8.920  -1.745  -8.917
  195    HB   THR  28           HB       THR  28   7.756  -2.124 -10.809
  196    HG1  THR  28           HG1      THR  28   6.414  -0.090 -11.587
  197   1HG2  THR  28          1HG2      THR  28   5.980  -2.126  -8.958
  198   2HG2  THR  28          2HG2      THR  28   5.429  -0.620  -9.692
  199   3HG2  THR  28          3HG2      THR  28   5.446  -2.108 -10.638
  200    H    GLN  29           H        GLN  29   7.962   1.621  -8.985
  201    HA   GLN  29           HA       GLN  29  10.094   2.432 -10.726
  202   1HB   GLN  29          1HB       GLN  29   8.054   3.846  -9.073
  203   2HB   GLN  29          2HB       GLN  29   9.469   4.745  -9.595
  204   1HG   GLN  29          1HG       GLN  29   8.900   4.615 -11.821
  205   2HG   GLN  29          2HG       GLN  29   7.892   3.186 -11.584
  206   1HE2  GLN  29          2HE2      GLN  29   6.265   4.288 -12.790
  207   2HE2  GLN  29          1HE2      GLN  29   5.272   5.483 -12.035
  208    H    ASN  30           H        ASN  30   9.616   2.093  -7.308
  209    HA   ASN  30           HA       ASN  30  12.154   3.328  -6.669
  210   1HB   ASN  30          1HB       ASN  30  10.823   1.877  -4.516
  211   2HB   ASN  30          2HB       ASN  30  11.310   3.553  -4.574
  212   1HD2  ASN  30          2HD2      ASN  30   8.817   2.173  -3.676
  213   2HD2  ASN  30          1HD2      ASN  30   7.551   2.921  -4.508
  214    H    GLY  31           H        GLY  31  11.464   0.504  -8.010
  215   1HA   GLY  31          1HA       GLY  31  12.611  -1.489  -8.206
  216   2HA   GLY  31          2HA       GLY  31  13.873  -0.778  -7.206
  217    H    VAL  32           H        VAL  32  10.693  -0.751  -5.996
  218    HA   VAL  32           HA       VAL  32  11.342  -2.239  -3.683
  219    HB   VAL  32           HB       VAL  32   8.637  -1.501  -4.673
  220   1HG1  VAL  32          1HG1      VAL  32   8.979  -3.027  -2.640
  221   2HG1  VAL  32          2HG1      VAL  32   9.457  -1.524  -1.824
  222   3HG1  VAL  32          3HG1      VAL  32   7.846  -1.666  -2.545
  223   1HG2  VAL  32          1HG2      VAL  32  10.698   0.192  -3.352
  224   2HG2  VAL  32          2HG2      VAL  32   9.738   0.522  -4.792
  225   3HG2  VAL  32          3HG2      VAL  32   8.978   0.535  -3.197
  226    HA   PRO  33           HA       PRO  33  10.174  -6.354  -4.902
  227   1HB   PRO  33          1HB       PRO  33   9.832  -7.331  -2.382
  228   2HB   PRO  33          2HB       PRO  33  11.432  -7.029  -3.065
  229   1HG   PRO  33          1HG       PRO  33   9.800  -5.278  -1.246
  230   2HG   PRO  33          2HG       PRO  33  11.512  -5.727  -1.116
  231   1HD   PRO  33          1HD       PRO  33  10.771  -3.379  -2.138
  232   2HD   PRO  33          2HD       PRO  33  12.143  -4.291  -2.803
  233    H    GLY  34           H        GLY  34   8.358  -7.772  -3.221
  234   1HA   GLY  34          1HA       GLY  34   6.098  -8.197  -3.218
  235   2HA   GLY  34          2HA       GLY  34   6.057  -6.661  -2.374
  236    H    ILE  35           H        ILE  35   7.118  -6.592  -5.676
  237    HA   ILE  35           HA       ILE  35   5.224  -4.764  -6.513
  238    HB   ILE  35           HB       ILE  35   6.847  -6.772  -8.063
  239   1HG1  ILE  35          1HG1      ILE  35   7.013  -3.785  -8.258
  240   2HG1  ILE  35          2HG1      ILE  35   7.740  -4.610  -6.883
  241   1HG2  ILE  35          1HG2      ILE  35   4.542  -5.261  -8.987
  242   2HG2  ILE  35          2HG2      ILE  35   6.001  -4.910  -9.913
  243   3HG2  ILE  35          3HG2      ILE  35   5.426  -6.571  -9.772
  244   1HD1  ILE  35          1HD1      ILE  35   8.619  -6.021  -9.112
  245   2HD1  ILE  35          2HD1      ILE  35   8.706  -4.321  -9.575
  246   3HD1  ILE  35          3HD1      ILE  35   9.546  -4.886  -8.129
  247    H    VAL  36           H        VAL  36   5.222  -8.274  -7.131
  248    HA   VAL  36           HA       VAL  36   3.521  -9.578  -8.044
  249    HB   VAL  36           HB       VAL  36   1.886  -8.660  -5.725
  250   1HG1  VAL  36          1HG1      VAL  36   2.651 -11.343  -6.868
  251   2HG1  VAL  36          2HG1      VAL  36   1.673 -11.123  -5.417
  252   3HG1  VAL  36          3HG1      VAL  36   1.083 -10.541  -6.974
  253   1HG2  VAL  36          1HG2      VAL  36   4.697  -9.490  -5.578
  254   2HG2  VAL  36          2HG2      VAL  36   3.701  -8.636  -4.400
  255   3HG2  VAL  36          3HG2      VAL  36   3.605 -10.391  -4.526
  256    H    ALA  37           H        ALA  37   2.836  -8.526  -9.930
  257    HA   ALA  37           HA       ALA  37   0.487  -6.777  -9.639
  258   1HB   ALA  37          1HB       ALA  37   2.488  -5.877 -10.851
  259   2HB   ALA  37          2HB       ALA  37   2.200  -7.095 -12.095
  260   3HB   ALA  37          3HB       ALA  37   0.986  -5.856 -11.775
  261    H    GLU  38           H        GLU  38  -0.921  -8.600  -9.322
  262    HA   GLU  38           HA       GLU  38  -1.186 -10.583 -11.387
  263   1HB   GLU  38          1HB       GLU  38  -2.632  -9.947  -8.846
  264   2HB   GLU  38          2HB       GLU  38  -3.396 -11.006 -10.022
  265   1HG   GLU  38          1HG       GLU  38  -0.617 -11.509  -9.022
  266   2HG   GLU  38          2HG       GLU  38  -2.040 -12.082  -8.154
  267    H    CYS  39           H        CYS  39  -3.113  -7.814 -10.275
  268    HA   CYS  39           HA       CYS  39  -4.713  -7.989 -12.729
  269   1HB   CYS  39          1HB       CYS  39  -6.380  -6.682 -11.618
  270   2HB   CYS  39          2HB       CYS  39  -5.873  -7.942 -10.500
  271    H    GLY  40           H        GLY  40  -2.386  -6.057 -11.059
  272   1HA   GLY  40          1HA       GLY  40  -1.530  -3.941 -11.485
  273   2HA   GLY  40          2HA       GLY  40  -1.333  -4.661 -13.073
  274    H    GLY  41           H        GLY  41  -3.585  -2.786 -11.073
  275   1HA   GLY  41          1HA       GLY  41  -4.604  -0.782 -11.793
  276   2HA   GLY  41          2HA       GLY  41  -4.291  -1.249 -13.456
  277    H    SER  42           H        SER  42  -5.445  -4.009 -12.570
  278    HA   SER  42           HA       SER  42  -8.113  -3.418 -13.468
  279   1HB   SER  42          1HB       SER  42  -6.427  -5.748 -13.283
  280   2HB   SER  42          2HB       SER  42  -8.008  -6.092 -12.581
  281    HG   SER  42           HG       SER  42  -8.798  -5.027 -14.624
  282    H    CYS  43           H        CYS  43  -6.537  -3.756 -10.450
  283    HA   CYS  43           HA       CYS  43  -7.275  -3.947  -8.291
  284   1HB   CYS  43          1HB       CYS  43  -9.271  -2.089  -9.576
  285   2HB   CYS  43          2HB       CYS  43  -9.290  -2.427  -7.848
  286    HG   CYS  43           HG       CYS  43  -7.578  -0.711  -7.594
  287    H    VAL  44           H        VAL  44  -7.886  -6.242  -9.475
  288    HA   VAL  44           HA       VAL  44 -10.514  -6.888  -8.347
  289    HB   VAL  44           HB       VAL  44  -9.592  -7.980 -11.004
  290   1HG1  VAL  44          1HG1      VAL  44 -11.452  -8.935  -9.181
  291   2HG1  VAL  44          2HG1      VAL  44 -12.418  -8.105 -10.401
  292   3HG1  VAL  44          3HG1      VAL  44 -11.310  -9.390 -10.880
  293   1HG2  VAL  44          1HG2      VAL  44 -11.004  -5.504 -10.344
  294   2HG2  VAL  44          2HG2      VAL  44 -10.179  -5.980 -11.828
  295   3HG2  VAL  44          3HG2      VAL  44 -11.834  -6.512 -11.531
  296    H    CYS  45           H        CYS  45  -8.001  -7.313  -7.157
  297    HA   CYS  45           HA       CYS  45  -8.134 -10.173  -6.808
  298   1HB   CYS  45          1HB       CYS  45  -6.078 -10.800  -7.601
  299   2HB   CYS  45          2HB       CYS  45  -6.458  -9.518  -8.744
  300    H    ALA  46           H        ALA  46  -6.368 -10.869  -5.155
  301    HA   ALA  46           HA       ALA  46  -6.021  -8.737  -3.152
  302   1HB   ALA  46          1HB       ALA  46  -7.139 -11.496  -2.757
  303   2HB   ALA  46          2HB       ALA  46  -6.454 -10.564  -1.426
  304   3HB   ALA  46          3HB       ALA  46  -7.848  -9.944  -2.310
  305    H    THR  47           H        THR  47  -3.985  -9.331  -4.846
  306    HA   THR  47           HA       THR  47  -2.196 -11.068  -3.280
  307    HB   THR  47           HB       THR  47  -0.871 -11.348  -5.294
  308    HG1  THR  47           HG1      THR  47  -1.028  -9.525  -6.432
  309   1HG2  THR  47          1HG2      THR  47  -3.433 -12.358  -5.013
  310   2HG2  THR  47          2HG2      THR  47  -3.364 -11.775  -6.675
  311   3HG2  THR  47          3HG2      THR  47  -2.175 -12.943  -6.101
  312    H    CYS  48           H        CYS  48  -2.961  -7.961  -3.442
  313    HA   CYS  48           HA       CYS  48  -0.183  -7.000  -3.304
  314   1HB   CYS  48          1HB       CYS  48  -1.278  -4.710  -3.556
  315   2HB   CYS  48          2HB       CYS  48  -1.316  -5.760  -4.969
  316    H    ARG  49           H        ARG  49  -0.847  -8.317  -1.105
  317    HA   ARG  49           HA       ARG  49  -2.179  -6.760   0.872
  318   1HB   ARG  49          1HB       ARG  49  -1.879  -9.276   0.877
  319   2HB   ARG  49          2HB       ARG  49  -0.216  -8.995   1.373
  320   1HG   ARG  49          1HG       ARG  49  -1.352  -9.421   3.360
  321   2HG   ARG  49          2HG       ARG  49  -1.204  -7.663   3.314
  322   1HD   ARG  49          1HD       ARG  49  -3.504  -7.585   2.327
  323   2HD   ARG  49          2HD       ARG  49  -3.628  -9.317   2.631
  324    HE   ARG  49           HE       ARG  49  -2.958  -7.688   4.931
  325   1HH1  ARG  49          1HH1      ARG  49  -5.456  -9.239   3.071
  326   2HH1  ARG  49          2HH1      ARG  49  -6.598  -9.256   4.373
  327   1HH2  ARG  49          1HH2      ARG  49  -4.453  -7.696   6.653
  328   2HH2  ARG  49          2HH2      ARG  49  -6.028  -8.376   6.411
  329    H    ILE  50           H        ILE  50  -1.282  -4.747   1.080
  330    HA   ILE  50           HA       ILE  50   1.461  -4.664   2.156
  331    HB   ILE  50           HB       ILE  50   0.278  -2.340   0.675
  332   1HG1  ILE  50          1HG1      ILE  50   0.161  -4.185  -0.896
  333   2HG1  ILE  50          2HG1      ILE  50   1.497  -3.129  -1.344
  334   1HG2  ILE  50          1HG2      ILE  50   2.903  -3.130   1.768
  335   2HG2  ILE  50          2HG2      ILE  50   2.926  -2.284   0.221
  336   3HG2  ILE  50          3HG2      ILE  50   2.166  -1.534   1.624
  337   1HD1  ILE  50          1HD1      ILE  50   2.146  -5.399   0.426
  338   2HD1  ILE  50          2HD1      ILE  50   1.703  -5.783  -1.237
  339   3HD1  ILE  50          3HD1      ILE  50   3.056  -4.700  -0.914
  340    H    GLU  51           H        GLU  51   1.805  -2.487   3.380
  341    HA   GLU  51           HA       GLU  51  -0.640  -1.729   4.809
  342   1HB   GLU  51          1HB       GLU  51   1.786  -3.022   5.952
  343   2HB   GLU  51          2HB       GLU  51   0.962  -1.802   6.913
  344   1HG   GLU  51          1HG       GLU  51  -0.631  -3.224   7.483
  345   2HG   GLU  51          2HG       GLU  51  -0.925  -3.660   5.801
  346    H    ILE  52           H        ILE  52  -0.831   0.392   4.857
  347    HA   ILE  52           HA       ILE  52   1.250   2.215   4.163
  348    HB   ILE  52           HB       ILE  52  -1.431   2.667   5.491
  349   1HG1  ILE  52          1HG1      ILE  52  -1.293   1.662   3.122
  350   2HG1  ILE  52          2HG1      ILE  52  -2.342   3.053   3.377
  351   1HG2  ILE  52          1HG2      ILE  52   0.703   4.451   5.285
  352   2HG2  ILE  52          2HG2      ILE  52  -0.438   4.938   4.035
  353   3HG2  ILE  52          3HG2      ILE  52  -0.967   4.819   5.711
  354   1HD1  ILE  52          1HD1      ILE  52   0.466   3.358   2.402
  355   2HD1  ILE  52          2HD1      ILE  52  -0.882   3.039   1.306
  356   3HD1  ILE  52          3HD1      ILE  52  -0.878   4.499   2.298
  357    H    GLU  53           H        GLU  53   2.446   3.683   5.623
  358    HA   GLU  53           HA       GLU  53   3.004   2.481   8.111
  359   1HB   GLU  53          1HB       GLU  53   4.566   4.082   8.374
  360   2HB   GLU  53          2HB       GLU  53   4.105   4.596   6.762
  361   1HG   GLU  53          1HG       GLU  53   3.850   6.590   7.736
  362   2HG   GLU  53          2HG       GLU  53   2.311   5.931   8.247
  363    H    ASP  54           H        ASP  54   2.425   3.370  10.342
  364    HA   ASP  54           HA       ASP  54  -0.420   3.611  10.458
  365   1HB   ASP  54          1HB       ASP  54   1.560   3.815  12.727
  366   2HB   ASP  54          2HB       ASP  54  -0.169   3.518  12.874
  367    H    ALA  55           H        ALA  55   1.172   5.941   9.396
  368    HA   ALA  55           HA       ALA  55   0.090   8.022  11.156
  369   1HB   ALA  55          1HB       ALA  55   2.632   7.870  10.587
  370   2HB   ALA  55          2HB       ALA  55   2.132   8.562   9.042
  371   3HB   ALA  55          3HB       ALA  55   1.819   9.435  10.544
  372    H    TRP  56           H        TRP  56   0.175   6.637   8.001
  373    HA   TRP  56           HA       TRP  56  -1.386   8.839   6.901
  374   1HB   TRP  56          1HB       TRP  56   0.082   6.615   5.535
  375   2HB   TRP  56          2HB       TRP  56  -0.710   7.967   4.741
  376    HD1  TRP  56           HD1      TRP  56   2.044   7.332   7.306
  377    HE1  TRP  56           HE1      TRP  56   3.756   9.222   7.156
  378    HE3  TRP  56           HE3      TRP  56  -0.277  10.192   3.765
  379    HZ2  TRP  56           HZ2      TRP  56   4.112  11.586   5.728
  380    HZ3  TRP  56           HZ3      TRP  56   0.884  12.248   3.034
  381    HH2  TRP  56           HH2      TRP  56   3.003  12.916   3.990
  382    H    VAL  57           H        VAL  57  -2.034   5.847   8.145
  383    HA   VAL  57           HA       VAL  57  -3.777   4.802   6.227
  384    HB   VAL  57           HB       VAL  57  -4.086   4.630   9.220
  385   1HG1  VAL  57          1HG1      VAL  57  -5.872   3.933   7.468
  386   2HG1  VAL  57          2HG1      VAL  57  -4.818   2.535   7.241
  387   3HG1  VAL  57          3HG1      VAL  57  -5.505   2.871   8.834
  388   1HG2  VAL  57          1HG2      VAL  57  -1.858   4.033   7.866
  389   2HG2  VAL  57          2HG2      VAL  57  -2.381   3.165   9.310
  390   3HG2  VAL  57          3HG2      VAL  57  -2.727   2.504   7.710
  391    H    GLU  58           H        GLU  58  -4.126   7.100   8.826
  392    HA   GLU  58           HA       GLU  58  -6.932   7.517   8.326
  393   1HB   GLU  58          1HB       GLU  58  -4.950   8.439  10.306
  394   2HB   GLU  58          2HB       GLU  58  -6.156   9.642   9.873
  395   1HG   GLU  58          1HG       GLU  58  -7.938   8.152  10.514
  396   2HG   GLU  58          2HG       GLU  58  -6.781   6.860  10.833
  397    H    ILE  59           H        ILE  59  -4.108   8.357   6.847
  398    HA   ILE  59           HA       ILE  59  -5.069  10.973   5.888
  399    HB   ILE  59           HB       ILE  59  -2.427   9.576   5.686
  400   1HG1  ILE  59          1HG1      ILE  59  -2.769  12.462   6.232
  401   2HG1  ILE  59          2HG1      ILE  59  -3.313  11.343   7.476
  402   1HG2  ILE  59          1HG2      ILE  59  -3.601  11.350   3.692
  403   2HG2  ILE  59          2HG2      ILE  59  -2.037  11.899   4.293
  404   3HG2  ILE  59          3HG2      ILE  59  -2.194  10.293   3.581
  405   1HD1  ILE  59          1HD1      ILE  59  -0.745  10.551   6.577
  406   2HD1  ILE  59          2HD1      ILE  59  -0.717  12.271   6.962
  407   3HD1  ILE  59          3HD1      ILE  59  -1.246  11.108   8.174
  408    H    VAL  60           H        VAL  60  -4.223   7.744   4.908
  409    HA   VAL  60           HA       VAL  60  -4.991   8.239   2.152
  410    HB   VAL  60           HB       VAL  60  -3.993   5.699   3.447
  411   1HG1  VAL  60          1HG1      VAL  60  -5.194   6.057   0.986
  412   2HG1  VAL  60          2HG1      VAL  60  -3.469   6.070   0.618
  413   3HG1  VAL  60          3HG1      VAL  60  -4.181   4.697   1.467
  414   1HG2  VAL  60          1HG2      VAL  60  -2.570   8.078   3.086
  415   2HG2  VAL  60          2HG2      VAL  60  -1.898   6.465   3.350
  416   3HG2  VAL  60          3HG2      VAL  60  -2.117   7.067   1.710
  417    H    GLY  61           H        GLY  61  -5.653   5.364   4.133
  418   1HA   GLY  61          1HA       GLY  61  -7.611   4.017   3.810
  419   2HA   GLY  61          2HA       GLY  61  -8.068   5.248   4.975
  420    H    GLU  62           H        GLU  62  -7.762   5.051   1.419
  421    HA   GLU  62           HA       GLU  62 -10.096   6.739   1.114
  422   1HB   GLU  62          1HB       GLU  62  -8.225   5.456  -0.862
  423   2HB   GLU  62          2HB       GLU  62  -9.593   6.453  -1.337
  424   1HG   GLU  62          1HG       GLU  62  -8.451   8.168   0.319
  425   2HG   GLU  62          2HG       GLU  62  -7.016   7.228  -0.090
  426    H    ALA  63           H        ALA  63  -9.433   3.437   1.233
  427    HA   ALA  63           HA       ALA  63 -11.290   2.369  -0.553
  428   1HB   ALA  63          1HB       ALA  63 -10.034   1.305   1.933
  429   2HB   ALA  63          2HB       ALA  63 -11.342   0.408   1.149
  430   3HB   ALA  63          3HB       ALA  63  -9.854   0.771   0.261
  431    H    ASN  64           H        ASN  64 -13.280   1.383  -0.206
  432    HA   ASN  64           HA       ASN  64 -15.046   2.841   1.553
  433   1HB   ASN  64          1HB       ASN  64 -16.601   1.065   0.136
  434   2HB   ASN  64          2HB       ASN  64 -16.263   2.714  -0.365
  435   1HD2  ASN  64          2HD2      ASN  64 -16.642  -0.084  -1.653
  436   2HD2  ASN  64          1HD2      ASN  64 -15.397  -0.118  -2.852
  437    HA   PRO  65           HA       PRO  65 -15.779  -0.378   4.454
  438   1HB   PRO  65          1HB       PRO  65 -18.477  -0.885   4.220
  439   2HB   PRO  65          2HB       PRO  65 -17.793   0.490   5.092
  440   1HG   PRO  65          1HG       PRO  65 -18.919   0.369   2.324
  441   2HG   PRO  65          2HG       PRO  65 -19.106   1.631   3.556
  442   1HD   PRO  65          1HD       PRO  65 -17.392   1.909   1.494
  443   2HD   PRO  65          2HD       PRO  65 -17.023   2.553   3.100
  444    H    ASP  66           H        ASP  66 -15.929  -1.029   1.196
  445    HA   ASP  66           HA       ASP  66 -16.870  -3.768   1.456
  446   1HB   ASP  66          1HB       ASP  66 -15.813  -2.337  -0.993
  447   2HB   ASP  66          2HB       ASP  66 -16.663  -3.879  -0.961
  448    H    GLU  67           H        GLU  67 -13.953  -2.103   0.244
  449    HA   GLU  67           HA       GLU  67 -12.299  -4.264  -0.129
  450   1HB   GLU  67          1HB       GLU  67 -11.410  -2.184  -0.745
  451   2HB   GLU  67          2HB       GLU  67 -11.742  -1.469   0.827
  452   1HG   GLU  67          1HG       GLU  67  -9.807  -3.722   0.636
  453   2HG   GLU  67          2HG       GLU  67  -9.310  -2.108   0.131
  454    H    ASN  68           H        ASN  68 -13.039  -2.582   2.882
  455    HA   ASN  68           HA       ASN  68 -11.292  -4.126   4.514
  456   1HB   ASN  68          1HB       ASN  68 -11.896  -2.026   5.398
  457   2HB   ASN  68          2HB       ASN  68 -13.606  -2.284   5.072
  458   1HD2  ASN  68          2HD2      ASN  68 -11.056  -4.064   6.788
  459   2HD2  ASN  68          1HD2      ASN  68 -11.960  -4.288   8.242
  460    H    ASP  69           H        ASP  69 -14.625  -4.424   3.484
  461    HA   ASP  69           HA       ASP  69 -15.228  -6.577   5.298
  462   1HB   ASP  69          1HB       ASP  69 -16.986  -5.034   4.547
  463   2HB   ASP  69          2HB       ASP  69 -16.750  -5.568   2.885
  464    H    LEU  70           H        LEU  70 -14.228  -6.255   1.944
  465    HA   LEU  70           HA       LEU  70 -14.754  -8.872   1.090
  466   1HB   LEU  70          1HB       LEU  70 -14.137  -6.911  -0.352
  467   2HB   LEU  70          2HB       LEU  70 -12.477  -7.119   0.177
  468    HG   LEU  70           HG       LEU  70 -13.811  -9.494  -0.997
  469   1HD1  LEU  70          1HD1      LEU  70 -13.534  -6.944  -2.399
  470   2HD1  LEU  70          2HD1      LEU  70 -12.770  -8.306  -3.219
  471   3HD1  LEU  70          3HD1      LEU  70 -14.484  -8.373  -2.810
  472   1HD2  LEU  70          1HD2      LEU  70 -11.267  -8.863  -0.191
  473   2HD2  LEU  70          2HD2      LEU  70 -11.706 -10.196  -1.259
  474   3HD2  LEU  70          3HD2      LEU  70 -11.182  -8.655  -1.940
  475    H    LEU  71           H        LEU  71 -11.964  -7.477   2.740
  476    HA   LEU  71           HA       LEU  71 -10.464  -9.940   2.627
  477   1HB   LEU  71          1HB       LEU  71  -9.992  -7.178   3.463
  478   2HB   LEU  71          2HB       LEU  71  -9.237  -8.357   4.518
  479    HG   LEU  71           HG       LEU  71  -7.983  -9.293   2.685
  480   1HD1  LEU  71          1HD1      LEU  71 -10.007  -8.023   1.098
  481   2HD1  LEU  71          2HD1      LEU  71  -8.405  -7.519   0.560
  482   3HD1  LEU  71          3HD1      LEU  71  -8.813  -9.233   0.631
  483   1HD2  LEU  71          1HD2      LEU  71  -7.188  -7.203   3.840
  484   2HD2  LEU  71          2HD2      LEU  71  -6.511  -7.491   2.236
  485   3HD2  LEU  71          3HD2      LEU  71  -7.794  -6.299   2.452
  486    H    GLN  72           H        GLN  72 -12.320  -8.146   5.036
  487    HA   GLN  72           HA       GLN  72 -11.688  -9.640   7.296
  488   1HB   GLN  72          1HB       GLN  72 -13.945  -7.903   6.475
  489   2HB   GLN  72          2HB       GLN  72 -14.244  -8.987   7.825
  490   1HG   GLN  72          1HG       GLN  72 -11.712  -7.610   8.087
  491   2HG   GLN  72          2HG       GLN  72 -13.067  -6.491   7.934
  492   1HE2  GLN  72          2HE2      GLN  72 -12.866  -9.689   9.429
  493   2HE2  GLN  72          1HE2      GLN  72 -13.339  -9.176  11.010
  494    H    SER  73           H        SER  73 -13.712 -10.421   4.594
  495    HA   SER  73           HA       SER  73 -15.122 -12.556   5.900
  496   1HB   SER  73          1HB       SER  73 -15.970 -11.237   3.903
  497   2HB   SER  73          2HB       SER  73 -14.823 -12.148   2.922
  498    HG   SER  73           HG       SER  73 -16.592 -13.526   4.609
  499    H    THR  74           H        THR  74 -12.032 -12.193   4.555
  500    HA   THR  74           HA       THR  74 -11.667 -14.898   3.675
  501    HB   THR  74           HB       THR  74  -9.381 -14.302   3.303
  502    HG1  THR  74           HG1      THR  74  -9.788 -11.895   4.723
  503   1HG2  THR  74          1HG2      THR  74 -11.035 -13.200   1.797
  504   2HG2  THR  74          2HG2      THR  74 -10.899 -11.761   2.807
  505   3HG2  THR  74          3HG2      THR  74  -9.488 -12.367   1.941
  506    H    GLY  75           H        GLY  75 -10.939 -13.067   6.604
  507   1HA   GLY  75          1HA       GLY  75 -10.708 -13.894   8.764
  508   2HA   GLY  75          2HA       GLY  75 -10.801 -15.525   8.118
  509    H    GLU  76           H        GLU  76  -8.546 -13.159   6.885
  510    HA   GLU  76           HA       GLU  76  -6.349 -14.849   7.827
  511   1HB   GLU  76          1HB       GLU  76  -6.159 -12.558   5.875
  512   2HB   GLU  76          2HB       GLU  76  -5.007 -13.862   6.122
  513   1HG   GLU  76          1HG       GLU  76  -7.727 -14.664   5.315
  514   2HG   GLU  76          2HG       GLU  76  -6.776 -13.795   4.112
  515    HA   PRO  77           HA       PRO  77  -4.702 -12.211  10.926
  516   1HB   PRO  77          1HB       PRO  77  -2.232 -12.020   9.261
  517   2HB   PRO  77          2HB       PRO  77  -2.408 -12.446  10.967
  518   1HG   PRO  77          1HG       PRO  77  -1.945 -14.324   9.135
  519   2HG   PRO  77          2HG       PRO  77  -3.041 -14.626  10.496
  520   1HD   PRO  77          1HD       PRO  77  -3.669 -14.105   7.632
  521   2HD   PRO  77          2HD       PRO  77  -4.530 -15.111   8.814
  522    H    MET  78           H        MET  78  -4.816 -10.069  11.339
  523    HA   MET  78           HA       MET  78  -4.463  -8.213   9.079
  524   1HB   MET  78          1HB       MET  78  -6.492  -7.993  11.310
  525   2HB   MET  78          2HB       MET  78  -6.253  -6.821  10.020
  526   1HG   MET  78          1HG       MET  78  -6.785  -8.716   8.413
  527   2HG   MET  78          2HG       MET  78  -7.347  -9.605   9.827
  528   1HE   MET  78          1HE       MET  78  -7.395  -6.085   8.390
  529   2HE   MET  78          2HE       MET  78  -8.434  -6.802   7.158
  530   3HE   MET  78          3HE       MET  78  -9.102  -5.645   8.308
  531    H    THR  79           H        THR  79  -3.992  -5.967   9.749
  532    HA   THR  79           HA       THR  79  -2.709  -5.711  12.361
  533    HB   THR  79           HB       THR  79  -0.683  -4.725  11.330
  534    HG1  THR  79           HG1      THR  79  -0.368  -5.079   9.091
  535   1HG2  THR  79          1HG2      THR  79  -1.390  -7.557  10.721
  536   2HG2  THR  79          2HG2      THR  79   0.144  -6.881  10.174
  537   3HG2  THR  79          3HG2      THR  79  -0.242  -6.912  11.894
  538    H    ALA  80           H        ALA  80  -1.600  -3.249  12.148
  539    HA   ALA  80           HA       ALA  80  -3.957  -1.572  11.859
  540   1HB   ALA  80          1HB       ALA  80  -1.257  -1.166  13.098
  541   2HB   ALA  80          2HB       ALA  80  -2.355   0.185  12.822
  542   3HB   ALA  80          3HB       ALA  80  -2.844  -1.149  13.866
  543    H    GLY  81           H        GLY  81  -4.355  -0.351  10.146
  544   1HA   GLY  81          1HA       GLY  81  -3.885   1.164   8.431
  545   2HA   GLY  81          2HA       GLY  81  -2.173   0.821   8.625
  546    H    THR  82           H        THR  82  -3.837  -2.057   8.498
  547    HA   THR  82           HA       THR  82  -2.724  -2.807   6.022
  548    HB   THR  82           HB       THR  82  -5.071  -4.342   6.928
  549    HG1  THR  82           HG1      THR  82  -2.790  -4.118   8.596
  550   1HG2  THR  82          1HG2      THR  82  -2.345  -4.857   5.952
  551   2HG2  THR  82          2HG2      THR  82  -2.989  -6.019   7.115
  552   3HG2  THR  82          3HG2      THR  82  -3.857  -5.699   5.613
  553    H    ARG  83           H        ARG  83  -3.411  -2.563   4.003
  554    HA   ARG  83           HA       ARG  83  -6.148  -2.530   3.242
  555   1HB   ARG  83          1HB       ARG  83  -5.548  -0.172   4.292
  556   2HB   ARG  83          2HB       ARG  83  -4.862   0.109   2.698
  557   1HG   ARG  83          1HG       ARG  83  -7.206  -0.766   1.895
  558   2HG   ARG  83          2HG       ARG  83  -7.697  -0.252   3.511
  559   1HD   ARG  83          1HD       ARG  83  -7.610   1.904   2.950
  560   2HD   ARG  83          2HD       ARG  83  -6.021   1.721   2.209
  561    HE   ARG  83           HE       ARG  83  -8.408   2.034   0.835
  562   1HH1  ARG  83          1HH1      ARG  83  -5.664  -0.096   0.801
  563   2HH1  ARG  83          2HH1      ARG  83  -5.783  -0.426  -0.894
  564   1HH2  ARG  83          1HH2      ARG  83  -8.588   1.599  -1.388
  565   2HH2  ARG  83          2HH2      ARG  83  -7.454   0.529  -2.137
  566    H    LEU  84           H        LEU  84  -6.420  -2.594   0.987
  567    HA   LEU  84           HA       LEU  84  -4.553  -3.849  -0.528
  568   1HB   LEU  84          1HB       LEU  84  -6.713  -1.930  -1.373
  569   2HB   LEU  84          2HB       LEU  84  -5.735  -2.806  -2.536
  570    HG   LEU  84           HG       LEU  84  -7.744  -3.891  -0.587
  571   1HD1  LEU  84          1HD1      LEU  84  -7.352  -4.137  -3.563
  572   2HD1  LEU  84          2HD1      LEU  84  -8.579  -4.999  -2.636
  573   3HD1  LEU  84          3HD1      LEU  84  -8.618  -3.239  -2.726
  574   1HD2  LEU  84          1HD2      LEU  84  -5.398  -5.271  -1.813
  575   2HD2  LEU  84          2HD2      LEU  84  -6.095  -5.450  -0.202
  576   3HD2  LEU  84          3HD2      LEU  84  -6.912  -6.150  -1.599
  577    H    SER  85           H        SER  85  -3.049  -3.235  -2.144
  578    HA   SER  85           HA       SER  85  -1.714  -0.721  -1.523
  579   1HB   SER  85          1HB       SER  85   0.138  -1.935  -1.839
  580   2HB   SER  85          2HB       SER  85  -0.852  -3.326  -2.280
  581    HG   SER  85           HG       SER  85   0.391  -2.941  -4.034
  582    H    CYS  86           H        CYS  86  -2.163  -2.450  -4.598
  583    HA   CYS  86           HA       CYS  86  -1.918  -0.194  -6.218
  584   1HB   CYS  86          1HB       CYS  86  -2.412  -1.585  -8.001
  585   2HB   CYS  86          2HB       CYS  86  -1.859  -2.739  -6.791
  586    H    GLN  87           H        GLN  87  -4.591  -1.232  -4.335
  587    HA   GLN  87           HA       GLN  87  -6.613   0.012  -5.938
  588   1HB   GLN  87          1HB       GLN  87  -7.124  -1.881  -4.462
  589   2HB   GLN  87          2HB       GLN  87  -6.721  -0.899  -3.060
  590   1HG   GLN  87          1HG       GLN  87  -9.062  -0.889  -3.193
  591   2HG   GLN  87          2HG       GLN  87  -8.547   0.681  -3.809
  592   1HE2  GLN  87          2HE2      GLN  87  -9.765   1.291  -5.440
  593   2HE2  GLN  87          1HE2      GLN  87 -10.368   0.278  -6.703
  594    H    VAL  88           H        VAL  88  -4.272   1.257  -3.826
  595    HA   VAL  88           HA       VAL  88  -5.912   3.584  -3.151
  596    HB   VAL  88           HB       VAL  88  -3.197   2.704  -2.175
  597   1HG1  VAL  88          1HG1      VAL  88  -4.797   5.176  -1.602
  598   2HG1  VAL  88          2HG1      VAL  88  -3.473   4.617  -0.577
  599   3HG1  VAL  88          3HG1      VAL  88  -3.164   5.064  -2.256
  600   1HG2  VAL  88          1HG2      VAL  88  -5.418   1.598  -1.420
  601   2HG2  VAL  88          2HG2      VAL  88  -4.222   2.057  -0.209
  602   3HG2  VAL  88          3HG2      VAL  88  -5.634   3.080  -0.487
  603    H    PHE  89           H        PHE  89  -4.894   5.751  -3.421
  604    HA   PHE  89           HA       PHE  89  -2.748   5.903  -5.344
  605   1HB   PHE  89          1HB       PHE  89  -5.456   6.993  -6.077
  606   2HB   PHE  89          2HB       PHE  89  -3.985   7.051  -7.056
  607    HD1  PHE  89           HD1      PHE  89  -6.625   4.916  -5.722
  608    HD2  PHE  89           HD2      PHE  89  -3.133   5.112  -8.144
  609    HE1  PHE  89           HE1      PHE  89  -7.148   2.688  -6.629
  610    HE2  PHE  89           HE2      PHE  89  -3.634   2.870  -9.058
  611    HZ   PHE  89           HZ       PHE  89  -5.653   1.657  -8.307
  612    H    ILE  90           H        ILE  90  -1.655   7.678  -5.382
  613    HA   ILE  90           HA       ILE  90  -1.675   9.450  -3.249
  614    HB   ILE  90           HB       ILE  90  -0.391   9.586  -5.970
  615   1HG1  ILE  90          1HG1      ILE  90   0.054   7.809  -4.027
  616   2HG1  ILE  90          2HG1      ILE  90   1.341   8.419  -5.062
  617   1HG2  ILE  90          1HG2      ILE  90  -0.108  11.389  -3.605
  618   2HG2  ILE  90          2HG2      ILE  90   1.239  11.098  -4.700
  619   3HG2  ILE  90          3HG2      ILE  90  -0.248  11.805  -5.307
  620   1HD1  ILE  90          1HD1      ILE  90   1.850  10.135  -3.342
  621   2HD1  ILE  90          2HD1      ILE  90   0.631   9.376  -2.307
  622   3HD1  ILE  90          3HD1      ILE  90   2.067   8.470  -2.778
  623    H    ASP  91           H        ASP  91  -1.881  11.773  -3.288
  624    HA   ASP  91           HA       ASP  91  -3.133  13.325  -5.207
  625   1HB   ASP  91          1HB       ASP  91  -5.381  13.139  -4.776
  626   2HB   ASP  91          2HB       ASP  91  -4.952  11.586  -4.078
  627    HA   PRO  92           HA       PRO  92  -1.618  16.299  -2.270
  628   1HB   PRO  92          1HB       PRO  92  -4.110  17.888  -2.358
  629   2HB   PRO  92          2HB       PRO  92  -2.475  18.339  -2.853
  630   1HG   PRO  92          1HG       PRO  92  -4.374  17.881  -4.676
  631   2HG   PRO  92          2HG       PRO  92  -2.698  17.366  -4.952
  632   1HD   PRO  92          1HD       PRO  92  -5.049  15.735  -4.042
  633   2HD   PRO  92          2HD       PRO  92  -3.818  15.334  -5.257
  634    H    SER  93           H        SER  93  -2.788  14.098  -1.132
  635    HA   SER  93           HA       SER  93  -3.696  15.111   1.449
  636   1HB   SER  93          1HB       SER  93  -5.682  13.998   1.400
  637   2HB   SER  93          2HB       SER  93  -5.450  13.980  -0.357
  638    HG   SER  93           HG       SER  93  -5.378  11.935   1.440
  639    H    MET  94           H        MET  94  -2.439  12.519  -0.545
  640    HA   MET  94           HA       MET  94  -1.233  11.183   1.764
  641   1HB   MET  94          1HB       MET  94  -1.955  10.206  -1.004
  642   2HB   MET  94          2HB       MET  94  -1.058   9.252   0.160
  643   1HG   MET  94          1HG       MET  94  -2.995   8.496   0.903
  644   2HG   MET  94          2HG       MET  94  -3.309  10.108   1.537
  645   1HE   MET  94          1HE       MET  94  -3.720   7.597  -1.263
  646   2HE   MET  94          2HE       MET  94  -5.162   7.440  -0.262
  647   3HE   MET  94          3HE       MET  94  -5.302   7.999  -1.928
  648    H    ASP  95           H        ASP  95  -0.057  13.501   0.796
  649    HA   ASP  95           HA       ASP  95   2.007  12.765  -1.005
  650   1HB   ASP  95          1HB       ASP  95   1.958  15.420   0.339
  651   2HB   ASP  95          2HB       ASP  95   2.317  15.035  -1.329
  652    H    GLY  96           H        GLY  96   3.907  12.051  -0.376
  653   1HA   GLY  96          1HA       GLY  96   5.822  11.861   0.976
  654   2HA   GLY  96          2HA       GLY  96   5.023  12.854   2.193
  655    H    LEU  97           H        LEU  97   3.624  10.166   0.537
  656    HA   LEU  97           HA       LEU  97   2.585   8.921   2.833
  657   1HB   LEU  97          1HB       LEU  97   2.289   8.735   0.071
  658   2HB   LEU  97          2HB       LEU  97   2.912   7.166   0.532
  659    HG   LEU  97           HG       LEU  97   1.040   6.703   1.891
  660   1HD1  LEU  97          1HD1      LEU  97   0.787   9.632   1.888
  661   2HD1  LEU  97          2HD1      LEU  97  -0.733   8.727   1.868
  662   3HD1  LEU  97          3HD1      LEU  97   0.436   8.450   3.156
  663   1HD2  LEU  97          1HD2      LEU  97   0.306   8.064  -0.684
  664   2HD2  LEU  97          2HD2      LEU  97   0.480   6.338  -0.366
  665   3HD2  LEU  97          3HD2      LEU  97  -0.887   7.226   0.310
  666    H    ILE  98           H        ILE  98   3.219   7.318   4.062
  667    HA   ILE  98           HA       ILE  98   5.823   6.085   3.459
  668    HB   ILE  98           HB       ILE  98   4.564   6.279   6.178
  669   1HG1  ILE  98          1HG1      ILE  98   6.151   7.996   6.728
  670   2HG1  ILE  98          2HG1      ILE  98   6.933   7.833   5.154
  671   1HG2  ILE  98          1HG2      ILE  98   6.721   4.727   5.126
  672   2HG2  ILE  98          2HG2      ILE  98   7.316   5.828   6.369
  673   3HG2  ILE  98          3HG2      ILE  98   6.012   4.701   6.739
  674   1HD1  ILE  98          1HD1      ILE  98   4.063   8.442   5.161
  675   2HD1  ILE  98          2HD1      ILE  98   5.153   9.731   5.680
  676   3HD1  ILE  98          3HD1      ILE  98   5.343   8.989   4.090
  677    H    VAL  99           H        VAL  99   5.595   4.159   2.671
  678    HA   VAL  99           HA       VAL  99   3.335   2.553   3.484
  679    HB   VAL  99           HB       VAL  99   5.026   1.480   1.394
  680   1HG1  VAL  99          1HG1      VAL  99   2.253   1.632   2.272
  681   2HG1  VAL  99          2HG1      VAL  99   2.457   1.694   0.513
  682   3HG1  VAL  99          3HG1      VAL  99   3.114   0.336   1.429
  683   1HG2  VAL  99          1HG2      VAL  99   3.501   4.056   0.987
  684   2HG2  VAL  99          2HG2      VAL  99   5.241   3.831   0.819
  685   3HG2  VAL  99          3HG2      VAL  99   4.138   3.050  -0.310
  686    H    ARG 100           H        ARG 100   3.897   0.073   3.328
  687    HA   ARG 100           HA       ARG 100   6.466  -0.754   4.247
  688   1HB   ARG 100          1HB       ARG 100   4.331  -1.159   6.316
  689   2HB   ARG 100          2HB       ARG 100   6.074  -1.258   6.496
  690   1HG   ARG 100          1HG       ARG 100   6.238   1.164   6.327
  691   2HG   ARG 100          2HG       ARG 100   4.492   1.276   6.112
  692   1HD   ARG 100          1HD       ARG 100   4.735   1.704   8.369
  693   2HD   ARG 100          2HD       ARG 100   4.411  -0.029   8.360
  694    HE   ARG 100           HE       ARG 100   7.163   0.268   8.231
  695   1HH1  ARG 100          1HH1      ARG 100   4.587   1.052  10.438
  696   2HH1  ARG 100          2HH1      ARG 100   5.588   0.948  11.847
  697   1HH2  ARG 100          1HH2      ARG 100   8.490   0.125  10.079
  698   2HH2  ARG 100          2HH2      ARG 100   7.809   0.421  11.644
  699    H    VAL 101           H        VAL 101   6.706  -3.006   4.095
  700    HA   VAL 101           HA       VAL 101   4.383  -4.390   2.965
  701    HB   VAL 101           HB       VAL 101   7.300  -5.162   2.985
  702   1HG1  VAL 101          1HG1      VAL 101   5.840  -7.128   3.071
  703   2HG1  VAL 101          2HG1      VAL 101   4.974  -6.541   1.651
  704   3HG1  VAL 101          3HG1      VAL 101   6.671  -7.000   1.521
  705   1HG2  VAL 101          1HG2      VAL 101   6.107  -3.287   1.435
  706   2HG2  VAL 101          2HG2      VAL 101   7.504  -4.241   0.942
  707   3HG2  VAL 101          3HG2      VAL 101   5.884  -4.731   0.447
  708    HA   PRO 102           HA       PRO 102   3.708  -6.671   6.710
  709   1HB   PRO 102          1HB       PRO 102   2.587  -8.799   5.045
  710   2HB   PRO 102          2HB       PRO 102   1.797  -7.787   6.253
  711   1HG   PRO 102          1HG       PRO 102   1.325  -7.531   3.617
  712   2HG   PRO 102          2HG       PRO 102   1.263  -6.160   4.736
  713   1HD   PRO 102          1HD       PRO 102   3.402  -6.934   2.797
  714   2HD   PRO 102          2HD       PRO 102   2.816  -5.320   3.249
  715    H    LEU 103           H        LEU 103   3.534  -9.319   6.945
  716    HA   LEU 103           HA       LEU 103   6.281 -10.113   7.062
  717   1HB   LEU 103          1HB       LEU 103   3.769 -11.686   7.631
  718   2HB   LEU 103          2HB       LEU 103   5.396 -12.215   8.012
  719    HG   LEU 103           HG       LEU 103   4.911  -9.618   9.161
  720   1HD1  LEU 103          1HD1      LEU 103   2.633 -11.326   9.141
  721   2HD1  LEU 103          2HD1      LEU 103   3.265 -11.244  10.785
  722   3HD1  LEU 103          3HD1      LEU 103   2.838  -9.762   9.931
  723   1HD2  LEU 103          1HD2      LEU 103   6.622 -11.361   9.777
  724   2HD2  LEU 103          2HD2      LEU 103   5.732 -10.657  11.127
  725   3HD2  LEU 103          3HD2      LEU 103   5.312 -12.265  10.536
  726    HA   PRO 104           HA       PRO 104   6.876 -12.492   3.416
  727   1HB   PRO 104          1HB       PRO 104   7.588 -14.882   5.000
  728   2HB   PRO 104          2HB       PRO 104   8.566 -13.961   3.852
  729   1HG   PRO 104          1HG       PRO 104   9.028 -13.826   6.483
  730   2HG   PRO 104          2HG       PRO 104   9.205 -12.404   5.438
  731   1HD   PRO 104          1HD       PRO 104   6.960 -13.134   7.283
  732   2HD   PRO 104          2HD       PRO 104   7.712 -11.551   6.997
  733    H    ALA 105           H        ALA 105   6.475 -14.823   2.502
  734    HA   ALA 105           HA       ALA 105   5.023 -16.515   1.972
  735   1HB   ALA 105          1HB       ALA 105   4.848 -16.683   4.541
  736   2HB   ALA 105          2HB       ALA 105   3.307 -15.852   4.336
  737   3HB   ALA 105          3HB       ALA 105   3.577 -17.412   3.558
  Start of MODEL   11
    1   2H    PRO   1          2H        PRO   1   4.100  14.920  -5.192
    2   1H    PRO   1          1H        PRO   1   4.827  13.455  -5.405
    3    HA   PRO   1           HA       PRO   1   4.614  14.972  -3.181
    4   1HB   PRO   1          1HB       PRO   1   3.668  12.228  -2.560
    5   2HB   PRO   1          2HB       PRO   1   3.350  13.736  -1.733
    6   1HG   PRO   1          1HG       PRO   1   1.479  12.777  -3.199
    7   2HG   PRO   1          2HG       PRO   1   1.888  14.493  -3.390
    8   1HD   PRO   1          1HD       PRO   1   2.850  12.160  -5.049
    9   2HD   PRO   1          2HD       PRO   1   2.048  13.629  -5.608
   10    H    ARG   2           H        ARG   2   5.403  13.281  -1.336
   11    HA   ARG   2           HA       ARG   2   7.850  11.995  -2.413
   12   1HB   ARG   2          1HB       ARG   2   8.550  13.858  -1.090
   13   2HB   ARG   2          2HB       ARG   2   7.345  13.528   0.144
   14   1HG   ARG   2          1HG       ARG   2   8.956  12.536   1.292
   15   2HG   ARG   2          2HG       ARG   2   8.903  11.241   0.102
   16   1HD   ARG   2          1HD       ARG   2  10.512  12.697  -1.264
   17   2HD   ARG   2          2HD       ARG   2  10.756  13.592   0.237
   18    HE   ARG   2           HE       ARG   2  11.097  10.734   0.465
   19   1HH1  ARG   2          1HH1      ARG   2  12.643  13.787  -0.185
   20   2HH1  ARG   2          2HH1      ARG   2  14.224  13.223   0.239
   21   1HH2  ARG   2          1HH2      ARG   2  13.173   9.981   1.029
   22   2HH2  ARG   2          2HH2      ARG   2  14.527  11.059   0.929
   23    H    VAL   3           H        VAL   3   8.459   9.909  -1.168
   24    HA   VAL   3           HA       VAL   3   6.373   8.971   0.570
   25    HB   VAL   3           HB       VAL   3   6.407   8.319  -2.273
   26   1HG1  VAL   3          1HG1      VAL   3   7.188   6.179  -0.943
   27   2HG1  VAL   3          2HG1      VAL   3   5.467   6.092  -0.609
   28   3HG1  VAL   3          3HG1      VAL   3   6.041   6.132  -2.282
   29   1HG2  VAL   3          1HG2      VAL   3   4.567   8.619  -0.035
   30   2HG2  VAL   3          2HG2      VAL   3   4.424   9.133  -1.728
   31   3HG2  VAL   3          3HG2      VAL   3   4.107   7.453  -1.280
   32    H    VAL   4           H        VAL   4   6.695   6.747   1.274
   33    HA   VAL   4           HA       VAL   4   9.363   5.724   0.947
   34    HB   VAL   4           HB       VAL   4   8.511   6.963   3.531
   35   1HG1  VAL   4          1HG1      VAL   4   9.962   4.439   3.184
   36   2HG1  VAL   4          2HG1      VAL   4  10.806   5.628   4.179
   37   3HG1  VAL   4          3HG1      VAL   4   9.179   5.107   4.617
   38   1HG2  VAL   4          1HG2      VAL   4  10.647   7.233   1.544
   39   2HG2  VAL   4          2HG2      VAL   4   9.943   8.439   2.624
   40   3HG2  VAL   4          3HG2      VAL   4  11.178   7.331   3.223
   41    H    PHE   5           H        PHE   5   9.060   3.752   0.557
   42    HA   PHE   5           HA       PHE   5   6.811   2.254   1.678
   43   1HB   PHE   5          1HB       PHE   5   8.954   1.668  -0.346
   44   2HB   PHE   5          2HB       PHE   5   7.837   0.443   0.214
   45    HD1  PHE   5           HD1      PHE   5   6.695   3.961  -0.452
   46    HD2  PHE   5           HD2      PHE   5   7.037  -0.025  -1.907
   47    HE1  PHE   5           HE1      PHE   5   5.202   4.496  -2.312
   48    HE2  PHE   5           HE2      PHE   5   5.562   0.486  -3.731
   49    HZ   PHE   5           HZ       PHE   5   4.602   2.748  -3.955
   50    H    ILE   6           H        ILE   6   7.577  -0.121   2.219
   51    HA   ILE   6           HA       ILE   6  10.116  -0.314   3.552
   52    HB   ILE   6           HB       ILE   6   7.572  -0.780   5.078
   53   1HG1  ILE   6          1HG1      ILE   6   7.980   1.647   4.560
   54   2HG1  ILE   6          2HG1      ILE   6   8.006   1.275   6.279
   55   1HG2  ILE   6          1HG2      ILE   6  10.473  -0.998   5.645
   56   2HG2  ILE   6          2HG2      ILE   6   9.335  -0.700   6.957
   57   3HG2  ILE   6          3HG2      ILE   6   9.176  -2.147   5.959
   58   1HD1  ILE   6          1HD1      ILE   6  10.493   1.368   4.653
   59   2HD1  ILE   6          2HD1      ILE   6   9.775   2.832   5.315
   60   3HD1  ILE   6          3HD1      ILE   6  10.305   1.542   6.396
   61    H    ASP   7           H        ASP   7  10.536  -2.546   4.272
   62    HA   ASP   7           HA       ASP   7   8.731  -4.644   3.721
   63   1HB   ASP   7          1HB       ASP   7   9.556  -3.695   1.415
   64   2HB   ASP   7          2HB       ASP   7  10.979  -4.676   1.756
   65    H    GLU   8           H        GLU   8  10.353  -6.753   3.229
   66    HA   GLU   8           HA       GLU   8  12.144  -6.727   5.546
   67   1HB   GLU   8          1HB       GLU   8  10.381  -8.313   5.816
   68   2HB   GLU   8          2HB       GLU   8  10.609  -8.939   4.189
   69   1HG   GLU   8          1HG       GLU   8  12.221 -10.330   4.822
   70   2HG   GLU   8          2HG       GLU   8  12.988  -9.118   5.846
   71    H    GLN   9           H        GLN   9  12.326  -6.417   2.303
   72    HA   GLN   9           HA       GLN   9  14.595  -8.189   1.883
   73   1HB   GLN   9          1HB       GLN   9  12.792  -6.600   0.168
   74   2HB   GLN   9          2HB       GLN   9  14.458  -6.698  -0.384
   75   1HG   GLN   9          1HG       GLN   9  13.069  -8.436  -1.377
   76   2HG   GLN   9          2HG       GLN   9  14.349  -9.118  -0.373
   77   1HE2  GLN   9          2HE2      GLN   9  11.350  -7.662   0.738
   78   2HE2  GLN   9          1HE2      GLN   9  10.693  -9.101   1.434
   79    H    SER  10           H        SER  10  13.862  -4.765   2.168
   80    HA   SER  10           HA       SER  10  16.730  -4.242   2.531
   81   1HB   SER  10          1HB       SER  10  15.872  -3.477   0.266
   82   2HB   SER  10          2HB       SER  10  14.858  -2.323   1.132
   83    HG   SER  10           HG       SER  10  17.378  -2.176   2.038
   84    H    GLY  11           H        GLY  11  13.865  -4.362   4.000
   85   1HA   GLY  11          1HA       GLY  11  12.976  -3.431   5.895
   86   2HA   GLY  11          2HA       GLY  11  14.613  -2.916   6.257
   87    H    GLU  12           H        GLU  12  13.323  -1.791   3.323
   88    HA   GLU  12           HA       GLU  12  11.789   0.375   3.937
   89   1HB   GLU  12          1HB       GLU  12  13.401   1.284   5.409
   90   2HB   GLU  12          2HB       GLU  12  14.711   0.998   4.271
   91   1HG   GLU  12          1HG       GLU  12  13.888   2.711   2.806
   92   2HG   GLU  12          2HG       GLU  12  12.447   2.921   3.800
   93    H    TYR  13           H        TYR  13  11.327   1.648   2.227
   94    HA   TYR  13           HA       TYR  13  12.932   1.396  -0.182
   95   1HB   TYR  13          1HB       TYR  13  10.118   0.405   0.143
   96   2HB   TYR  13          2HB       TYR  13  10.779   0.813  -1.441
   97    HD1  TYR  13           HD1      TYR  13  11.442  -1.284   1.564
   98    HD2  TYR  13           HD2      TYR  13  12.017  -0.763  -2.600
   99    HE1  TYR  13           HE1      TYR  13  12.514  -3.501   1.447
  100    HE2  TYR  13           HE2      TYR  13  13.074  -2.953  -2.761
  101    HH   TYR  13           HH       TYR  13  13.654  -4.814  -1.661
  102    H    ALA  14           H        ALA  14  13.075   3.645   0.925
  103    HA   ALA  14           HA       ALA  14  11.089   5.562   0.867
  104   1HB   ALA  14          1HB       ALA  14  13.898   5.517   1.199
  105   2HB   ALA  14          2HB       ALA  14  13.508   6.804   0.056
  106   3HB   ALA  14          3HB       ALA  14  12.757   6.784   1.651
  107    H    VAL  15           H        VAL  15  10.347   7.063  -0.595
  108    HA   VAL  15           HA       VAL  15  11.340   7.284  -3.243
  109    HB   VAL  15           HB       VAL  15  10.242   5.020  -3.164
  110   1HG1  VAL  15          1HG1      VAL  15   7.740   6.692  -3.022
  111   2HG1  VAL  15          2HG1      VAL  15   7.786   5.009  -3.593
  112   3HG1  VAL  15          3HG1      VAL  15   8.271   5.391  -1.945
  113   1HG2  VAL  15          1HG2      VAL  15  10.212   7.049  -5.179
  114   2HG2  VAL  15          2HG2      VAL  15  10.436   5.315  -5.352
  115   3HG2  VAL  15          3HG2      VAL  15   8.806   5.993  -5.350
  116    H    ASP  16           H        ASP  16   8.818   7.775  -4.402
  117    HA   ASP  16           HA       ASP  16   7.491   9.853  -2.995
  118   1HB   ASP  16          1HB       ASP  16   8.699  10.605  -5.589
  119   2HB   ASP  16          2HB       ASP  16   8.150  11.644  -4.285
  120    H    ALA  17           H        ALA  17   5.782  10.719  -4.378
  121    HA   ALA  17           HA       ALA  17   5.121   9.007  -6.647
  122   1HB   ALA  17          1HB       ALA  17   4.214   8.520  -4.142
  123   2HB   ALA  17          2HB       ALA  17   2.908   9.515  -4.840
  124   3HB   ALA  17          3HB       ALA  17   3.415   8.011  -5.646
  125    H    GLN  18           H        GLN  18   2.746   9.801  -7.342
  126    HA   GLN  18           HA       GLN  18   2.659  12.731  -7.314
  127   1HB   GLN  18          1HB       GLN  18   2.208  11.288  -9.905
  128   2HB   GLN  18          2HB       GLN  18   2.624  12.974  -9.633
  129   1HG   GLN  18          1HG       GLN  18   4.879  12.338  -8.999
  130   2HG   GLN  18          2HG       GLN  18   4.469  10.636  -9.211
  131   1HE2  GLN  18          2HE2      GLN  18   4.984  13.685 -10.841
  132   2HE2  GLN  18          1HE2      GLN  18   5.241  13.021 -12.415
  133    H    ASP  19           H        ASP  19   0.647  13.439  -6.915
  134    HA   ASP  19           HA       ASP  19  -1.474  11.963  -6.200
  135   1HB   ASP  19          1HB       ASP  19  -1.895  14.431  -7.855
  136   2HB   ASP  19          2HB       ASP  19  -2.894  13.830  -6.544
  137    H    GLY  20           H        GLY  20  -2.394  10.315  -7.069
  138   1HA   GLY  20          1HA       GLY  20  -4.040   9.685  -8.819
  139   2HA   GLY  20          2HA       GLY  20  -2.886  10.334  -9.977
  140    H    GLN  21           H        GLN  21  -0.980   8.976  -7.690
  141    HA   GLN  21           HA       GLN  21  -1.023   6.355  -9.053
  142   1HB   GLN  21          1HB       GLN  21   1.366   7.762  -7.854
  143   2HB   GLN  21          2HB       GLN  21   1.386   6.223  -8.702
  144   1HG   GLN  21          1HG       GLN  21   1.128   7.202 -10.764
  145   2HG   GLN  21          2HG       GLN  21   0.366   8.641 -10.096
  146   1HE2  GLN  21          2HE2      GLN  21   3.114   7.647  -8.386
  147   2HE2  GLN  21          1HE2      GLN  21   4.223   8.789  -9.037
  148    H    SER  22           H        SER  22  -0.464   4.518  -7.779
  149    HA   SER  22           HA       SER  22  -1.198   4.906  -4.983
  150   1HB   SER  22          1HB       SER  22  -1.707   2.520  -4.941
  151   2HB   SER  22          2HB       SER  22  -2.521   3.282  -6.307
  152    HG   SER  22           HG       SER  22  -1.404   2.076  -7.612
  153    H    LEU  23           H        LEU  23  -0.224   2.813  -3.703
  154    HA   LEU  23           HA       LEU  23   2.650   3.391  -3.646
  155   1HB   LEU  23          1HB       LEU  23   0.840   1.919  -1.739
  156   2HB   LEU  23          2HB       LEU  23   2.567   2.113  -1.503
  157    HG   LEU  23           HG       LEU  23   2.375   4.259  -0.816
  158   1HD1  LEU  23          1HD1      LEU  23   1.572   4.988  -3.072
  159   2HD1  LEU  23          2HD1      LEU  23  -0.075   4.706  -2.509
  160   3HD1  LEU  23          3HD1      LEU  23   0.930   5.924  -1.723
  161   1HD2  LEU  23          1HD2      LEU  23  -0.439   3.257  -0.454
  162   2HD2  LEU  23          2HD2      LEU  23   0.907   3.096   0.673
  163   3HD2  LEU  23          3HD2      LEU  23   0.223   4.687   0.339
  164    H    MET  24           H        MET  24   0.894   1.392  -5.388
  165    HA   MET  24           HA       MET  24   2.574  -0.976  -5.003
  166   1HB   MET  24          1HB       MET  24   0.631  -2.038  -5.390
  167   2HB   MET  24          2HB       MET  24  -0.157  -0.546  -5.872
  168   1HG   MET  24          1HG       MET  24   0.357  -0.857  -8.121
  169   2HG   MET  24          2HG       MET  24   1.625  -2.029  -7.766
  170   1HE   MET  24          1HE       MET  24  -0.427  -2.325  -9.985
  171   2HE   MET  24          2HE       MET  24  -1.774  -3.429  -9.705
  172   3HE   MET  24          3HE       MET  24  -1.893  -1.746  -9.193
  173    H    GLU  25           H        GLU  25   1.924   1.687  -7.104
  174    HA   GLU  25           HA       GLU  25   3.586   0.612  -9.231
  175   1HB   GLU  25          1HB       GLU  25   1.638   1.788  -9.996
  176   2HB   GLU  25          2HB       GLU  25   2.007   3.174  -8.978
  177   1HG   GLU  25          1HG       GLU  25   4.226   2.699 -10.689
  178   2HG   GLU  25          2HG       GLU  25   2.756   2.704 -11.661
  179    H    VAL  26           H        VAL  26   3.721   3.171  -6.770
  180    HA   VAL  26           HA       VAL  26   6.032   4.400  -7.655
  181    HB   VAL  26           HB       VAL  26   6.194   3.815  -4.782
  182   1HG1  VAL  26          1HG1      VAL  26   7.389   5.488  -6.282
  183   2HG1  VAL  26          2HG1      VAL  26   5.920   6.441  -6.156
  184   3HG1  VAL  26          3HG1      VAL  26   6.826   6.033  -4.708
  185   1HG2  VAL  26          1HG2      VAL  26   3.732   3.878  -5.127
  186   2HG2  VAL  26          2HG2      VAL  26   4.412   5.104  -4.058
  187   3HG2  VAL  26          3HG2      VAL  26   3.944   5.534  -5.707
  188    H    ALA  27           H        ALA  27   5.700   1.709  -5.449
  189    HA   ALA  27           HA       ALA  27   8.034   0.776  -4.858
  190   1HB   ALA  27          1HB       ALA  27   5.562  -0.465  -5.325
  191   2HB   ALA  27          2HB       ALA  27   6.787  -1.477  -6.095
  192   3HB   ALA  27          3HB       ALA  27   6.916  -1.083  -4.377
  193    H    THR  28           H        THR  28   6.738  -0.623  -7.822
  194    HA   THR  28           HA       THR  28   9.071  -1.638  -8.817
  195    HB   THR  28           HB       THR  28   7.903  -2.138 -10.678
  196    HG1  THR  28           HG1      THR  28   7.161  -0.661 -12.035
  197   1HG2  THR  28          1HG2      THR  28   6.163  -2.345  -8.908
  198   2HG2  THR  28          2HG2      THR  28   5.570  -0.757  -9.394
  199   3HG2  THR  28          3HG2      THR  28   5.538  -2.097 -10.539
  200    H    GLN  29           H        GLN  29   7.957   1.646  -8.828
  201    HA   GLN  29           HA       GLN  29   9.988   2.566 -10.658
  202   1HB   GLN  29          1HB       GLN  29   8.270   4.208  -8.800
  203   2HB   GLN  29          2HB       GLN  29   9.172   4.796 -10.188
  204   1HG   GLN  29          1HG       GLN  29   7.599   2.861 -11.303
  205   2HG   GLN  29          2HG       GLN  29   6.550   3.528 -10.051
  206   1HE2  GLN  29          2HE2      GLN  29   5.709   5.536 -10.299
  207   2HE2  GLN  29          1HE2      GLN  29   5.932   6.510 -11.709
  208    H    ASN  30           H        ASN  30   9.615   2.266  -7.218
  209    HA   ASN  30           HA       ASN  30  12.004   3.806  -6.632
  210   1HB   ASN  30          1HB       ASN  30  10.857   2.184  -4.474
  211   2HB   ASN  30          2HB       ASN  30  11.203   3.895  -4.509
  212   1HD2  ASN  30          2HD2      ASN  30   8.821   2.358  -3.597
  213   2HD2  ASN  30          1HD2      ASN  30   7.503   3.033  -4.426
  214    H    GLY  31           H        GLY  31  11.654   0.880  -7.911
  215   1HA   GLY  31          1HA       GLY  31  13.271  -0.795  -8.164
  216   2HA   GLY  31          2HA       GLY  31  14.172  -0.090  -6.826
  217    H    VAL  32           H        VAL  32  11.230  -0.149  -5.647
  218    HA   VAL  32           HA       VAL  32  11.532  -2.095  -3.749
  219    HB   VAL  32           HB       VAL  32   8.851  -1.336  -4.858
  220   1HG1  VAL  32          1HG1      VAL  32   9.842  -2.136  -2.187
  221   2HG1  VAL  32          2HG1      VAL  32   8.482  -1.022  -2.300
  222   3HG1  VAL  32          3HG1      VAL  32   8.370  -2.612  -3.045
  223   1HG2  VAL  32          1HG2      VAL  32  10.775   0.410  -3.384
  224   2HG2  VAL  32          2HG2      VAL  32   9.850   0.764  -4.845
  225   3HG2  VAL  32          3HG2      VAL  32   9.032   0.663  -3.285
  226    HA   PRO  33           HA       PRO  33  10.797  -6.009  -5.585
  227   1HB   PRO  33          1HB       PRO  33   8.926  -6.675  -3.376
  228   2HB   PRO  33          2HB       PRO  33  10.463  -7.433  -3.815
  229   1HG   PRO  33          1HG       PRO  33  10.344  -5.885  -1.643
  230   2HG   PRO  33          2HG       PRO  33  11.732  -5.757  -2.743
  231   1HD   PRO  33          1HD       PRO  33   9.265  -4.078  -2.625
  232   2HD   PRO  33          2HD       PRO  33  10.951  -3.556  -2.601
  233    H    GLY  34           H        GLY  34   8.344  -3.778  -5.311
  234   1HA   GLY  34          1HA       GLY  34   6.120  -3.723  -6.008
  235   2HA   GLY  34          2HA       GLY  34   6.946  -4.145  -7.498
  236    H    ILE  35           H        ILE  35   5.703  -5.680  -4.564
  237    HA   ILE  35           HA       ILE  35   5.270  -8.087  -4.514
  238    HB   ILE  35           HB       ILE  35   2.751  -6.750  -5.467
  239   1HG1  ILE  35          1HG1      ILE  35   2.675  -6.451  -2.773
  240   2HG1  ILE  35          2HG1      ILE  35   4.398  -6.238  -3.064
  241   1HG2  ILE  35          1HG2      ILE  35   3.331  -9.305  -4.444
  242   2HG2  ILE  35          2HG2      ILE  35   2.479  -8.431  -3.171
  243   3HG2  ILE  35          3HG2      ILE  35   1.748  -8.600  -4.768
  244   1HD1  ILE  35          1HD1      ILE  35   2.538  -4.736  -4.805
  245   2HD1  ILE  35          2HD1      ILE  35   2.675  -4.225  -3.122
  246   3HD1  ILE  35          3HD1      ILE  35   4.108  -4.272  -4.148
  247    H    VAL  36           H        VAL  36   3.361  -6.835  -7.246
  248    HA   VAL  36           HA       VAL  36   4.462  -8.048  -9.380
  249    HB   VAL  36           HB       VAL  36   4.500 -10.214  -8.452
  250   1HG1  VAL  36          1HG1      VAL  36   2.393  -9.370  -6.891
  251   2HG1  VAL  36          2HG1      VAL  36   1.673 -10.617  -7.909
  252   3HG1  VAL  36          3HG1      VAL  36   3.082 -10.993  -6.917
  253   1HG2  VAL  36          1HG2      VAL  36   3.430  -9.850 -10.794
  254   2HG2  VAL  36          2HG2      VAL  36   3.367 -11.445 -10.046
  255   3HG2  VAL  36          3HG2      VAL  36   1.951 -10.395 -10.002
  256    H    ALA  37           H        ALA  37   1.314  -7.991  -7.732
  257    HA   ALA  37           HA       ALA  37  -0.764  -7.364  -8.428
  258   1HB   ALA  37          1HB       ALA  37   0.481  -5.205  -8.574
  259   2HB   ALA  37          2HB       ALA  37   0.721  -5.519 -10.293
  260   3HB   ALA  37          3HB       ALA  37  -0.910  -5.313  -9.653
  261    H    GLU  38           H        GLU  38  -1.463  -9.261  -9.391
  262    HA   GLU  38           HA       GLU  38  -0.858  -9.759 -12.184
  263   1HB   GLU  38          1HB       GLU  38  -0.881 -11.687 -10.768
  264   2HB   GLU  38          2HB       GLU  38  -2.470 -11.278 -10.136
  265   1HG   GLU  38          1HG       GLU  38  -2.971 -11.462 -12.805
  266   2HG   GLU  38          2HG       GLU  38  -1.720 -12.684 -12.585
  267    H    CYS  39           H        CYS  39  -3.600  -8.765 -10.205
  268    HA   CYS  39           HA       CYS  39  -5.564  -8.947 -12.210
  269   1HB   CYS  39          1HB       CYS  39  -6.970  -7.662 -10.761
  270   2HB   CYS  39          2HB       CYS  39  -6.000  -8.728  -9.753
  271    H    GLY  40           H        GLY  40  -2.936  -6.859 -11.932
  272   1HA   GLY  40          1HA       GLY  40  -2.232  -5.135 -13.279
  273   2HA   GLY  40          2HA       GLY  40  -3.616  -5.462 -14.306
  274    H    GLY  41           H        GLY  41  -4.832  -4.954 -11.294
  275   1HA   GLY  41          1HA       GLY  41  -5.203  -2.863 -10.128
  276   2HA   GLY  41          2HA       GLY  41  -5.003  -2.036 -11.666
  277    H    SER  42           H        SER  42  -6.917  -4.938 -11.077
  278    HA   SER  42           HA       SER  42  -9.362  -3.365 -11.537
  279   1HB   SER  42          1HB       SER  42 -10.027  -5.742 -12.661
  280   2HB   SER  42          2HB       SER  42  -9.385  -4.377 -13.575
  281    HG   SER  42           HG       SER  42  -8.038  -5.962 -14.125
  282    H    CYS  43           H        CYS  43  -7.911  -4.717  -9.184
  283    HA   CYS  43           HA       CYS  43  -8.456  -5.851  -7.286
  284   1HB   CYS  43          1HB       CYS  43 -10.330  -4.089  -7.485
  285   2HB   CYS  43          2HB       CYS  43 -11.351  -5.429  -7.996
  286    HG   CYS  43           HG       CYS  43 -11.083  -6.483  -5.654
  287    H    VAL  44           H        VAL  44  -7.677  -7.693  -8.768
  288    HA   VAL  44           HA       VAL  44  -9.778  -9.757  -8.820
  289    HB   VAL  44           HB       VAL  44  -7.501  -9.598 -10.794
  290   1HG1  VAL  44          1HG1      VAL  44  -9.598 -11.549 -10.191
  291   2HG1  VAL  44          2HG1      VAL  44  -9.469 -11.130 -11.899
  292   3HG1  VAL  44          3HG1      VAL  44  -8.064 -11.754 -11.035
  293   1HG2  VAL  44          1HG2      VAL  44  -9.798  -7.992 -10.726
  294   2HG2  VAL  44          2HG2      VAL  44  -8.663  -8.191 -12.062
  295   3HG2  VAL  44          3HG2      VAL  44 -10.097  -9.214 -11.963
  296    H    CYS  45           H        CYS  45  -6.989  -8.783  -7.394
  297    HA   CYS  45           HA       CYS  45  -6.310 -11.536  -6.646
  298   1HB   CYS  45          1HB       CYS  45  -4.048 -11.304  -7.038
  299   2HB   CYS  45          2HB       CYS  45  -4.710 -10.361  -8.367
  300    H    ALA  46           H        ALA  46  -4.589 -11.343  -4.731
  301    HA   ALA  46           HA       ALA  46  -5.283  -9.147  -2.938
  302   1HB   ALA  46          1HB       ALA  46  -6.862 -11.202  -2.687
  303   2HB   ALA  46          2HB       ALA  46  -5.488 -11.919  -1.844
  304   3HB   ALA  46          3HB       ALA  46  -6.203 -10.421  -1.250
  305    H    THR  47           H        THR  47  -2.884 -10.342  -4.389
  306    HA   THR  47           HA       THR  47  -1.162 -11.128  -2.184
  307    HB   THR  47           HB       THR  47  -0.540 -10.737  -5.117
  308    HG1  THR  47           HG1      THR  47  -1.997 -12.468  -4.620
  309   1HG2  THR  47          1HG2      THR  47   1.109 -11.731  -2.840
  310   2HG2  THR  47          2HG2      THR  47   1.358 -12.360  -4.468
  311   3HG2  THR  47          3HG2      THR  47   1.547 -10.635  -4.150
  312    H    CYS  48           H        CYS  48  -1.886  -8.328  -4.091
  313    HA   CYS  48           HA       CYS  48   0.465  -6.842  -3.635
  314   1HB   CYS  48          1HB       CYS  48  -0.835  -4.909  -4.316
  315   2HB   CYS  48          2HB       CYS  48  -1.237  -6.278  -5.348
  316    H    ARG  49           H        ARG  49  -1.911  -7.855  -1.493
  317    HA   ARG  49           HA       ARG  49  -2.636  -6.045   0.264
  318   1HB   ARG  49          1HB       ARG  49  -1.928  -8.777   0.462
  319   2HB   ARG  49          2HB       ARG  49  -1.223  -7.966   1.853
  320   1HG   ARG  49          1HG       ARG  49  -3.496  -6.966   2.277
  321   2HG   ARG  49          2HG       ARG  49  -4.115  -8.068   1.047
  322   1HD   ARG  49          1HD       ARG  49  -4.433  -9.045   3.230
  323   2HD   ARG  49          2HD       ARG  49  -3.219  -9.968   2.347
  324    HE   ARG  49           HE       ARG  49  -1.768  -8.170   3.787
  325   1HH1  ARG  49          1HH1      ARG  49  -4.179 -10.560   4.570
  326   2HH1  ARG  49          2HH1      ARG  49  -3.551 -10.864   6.155
  327   1HH2  ARG  49          1HH2      ARG  49  -0.929  -8.568   5.872
  328   2HH2  ARG  49          2HH2      ARG  49  -1.704  -9.732   6.895
  329    H    ILE  50           H        ILE  50  -1.409  -4.146   0.178
  330    HA   ILE  50           HA       ILE  50   1.298  -4.233   1.286
  331    HB   ILE  50           HB       ILE  50   0.572  -2.874  -0.824
  332   1HG1  ILE  50          1HG1      ILE  50   2.182  -1.356   1.216
  333   2HG1  ILE  50          2HG1      ILE  50   2.780  -2.852   0.507
  334   1HG2  ILE  50          1HG2      ILE  50  -0.297  -1.048   1.409
  335   2HG2  ILE  50          2HG2      ILE  50   0.005  -0.515  -0.244
  336   3HG2  ILE  50          3HG2      ILE  50  -1.281  -1.675   0.086
  337   1HD1  ILE  50          1HD1      ILE  50   2.236  -1.639  -1.745
  338   2HD1  ILE  50          2HD1      ILE  50   2.364  -0.191  -0.746
  339   3HD1  ILE  50          3HD1      ILE  50   3.729  -1.300  -0.870
  340    H    GLU  51           H        GLU  51   1.808  -2.281   2.779
  341    HA   GLU  51           HA       GLU  51  -0.428  -1.800   4.617
  342   1HB   GLU  51          1HB       GLU  51   2.166  -3.132   5.198
  343   2HB   GLU  51          2HB       GLU  51   1.515  -2.049   6.421
  344   1HG   GLU  51          1HG       GLU  51  -0.551  -3.347   6.474
  345   2HG   GLU  51          2HG       GLU  51   0.100  -4.431   5.244
  346    H    ILE  52           H        ILE  52  -0.690   0.313   4.796
  347    HA   ILE  52           HA       ILE  52   1.298   2.244   4.112
  348    HB   ILE  52           HB       ILE  52  -1.258   2.588   5.697
  349   1HG1  ILE  52          1HG1      ILE  52  -1.424   1.667   3.318
  350   2HG1  ILE  52          2HG1      ILE  52  -2.361   3.111   3.688
  351   1HG2  ILE  52          1HG2      ILE  52   0.568   4.383   5.839
  352   2HG2  ILE  52          2HG2      ILE  52   0.148   4.743   4.164
  353   3HG2  ILE  52          3HG2      ILE  52  -1.070   4.891   5.431
  354   1HD1  ILE  52          1HD1      ILE  52   0.358   3.280   2.463
  355   2HD1  ILE  52          2HD1      ILE  52  -1.097   3.050   1.492
  356   3HD1  ILE  52          3HD1      ILE  52  -0.926   4.492   2.494
  357    H    GLU  53           H        GLU  53   2.665   3.488   5.515
  358    HA   GLU  53           HA       GLU  53   3.332   2.190   7.916
  359   1HB   GLU  53          1HB       GLU  53   4.996   3.687   8.082
  360   2HB   GLU  53          2HB       GLU  53   4.422   4.294   6.542
  361   1HG   GLU  53          1HG       GLU  53   4.187   6.275   7.510
  362   2HG   GLU  53          2HG       GLU  53   2.892   5.598   8.460
  363    H    ASP  54           H        ASP  54   2.855   2.847  10.198
  364    HA   ASP  54           HA       ASP  54   0.065   3.239  10.511
  365   1HB   ASP  54          1HB       ASP  54   2.317   3.074  12.500
  366   2HB   ASP  54          2HB       ASP  54   0.639   3.278  12.992
  367    H    ALA  55           H        ALA  55   1.642   5.607   9.460
  368    HA   ALA  55           HA       ALA  55   0.655   7.602  11.364
  369   1HB   ALA  55          1HB       ALA  55   3.183   7.459  10.687
  370   2HB   ALA  55          2HB       ALA  55   2.626   8.276   9.224
  371   3HB   ALA  55          3HB       ALA  55   2.380   9.025  10.804
  372    H    TRP  56           H        TRP  56   0.667   6.395   8.134
  373    HA   TRP  56           HA       TRP  56  -0.921   8.641   7.194
  374   1HB   TRP  56          1HB       TRP  56   0.454   6.464   5.661
  375   2HB   TRP  56          2HB       TRP  56  -0.322   7.887   4.977
  376    HD1  TRP  56           HD1      TRP  56   2.448   7.069   7.496
  377    HE1  TRP  56           HE1      TRP  56   4.226   8.909   7.378
  378    HE3  TRP  56           HE3      TRP  56   0.211  10.041   3.997
  379    HZ2  TRP  56           HZ2      TRP  56   4.646  11.290   5.947
  380    HZ3  TRP  56           HZ3      TRP  56   1.424  12.069   3.272
  381    HH2  TRP  56           HH2      TRP  56   3.564  12.679   4.221
  382    H    VAL  57           H        VAL  57  -1.660   5.729   8.463
  383    HA   VAL  57           HA       VAL  57  -3.506   4.777   6.545
  384    HB   VAL  57           HB       VAL  57  -3.602   4.436   9.531
  385   1HG1  VAL  57          1HG1      VAL  57  -5.577   3.954   7.929
  386   2HG1  VAL  57          2HG1      VAL  57  -4.631   2.527   7.505
  387   3HG1  VAL  57          3HG1      VAL  57  -5.144   2.779   9.174
  388   1HG2  VAL  57          1HG2      VAL  57  -1.498   3.863   8.115
  389   2HG2  VAL  57          2HG2      VAL  57  -2.081   2.744   9.350
  390   3HG2  VAL  57          3HG2      VAL  57  -2.455   2.455   7.648
  391    H    GLU  58           H        GLU  58  -3.540   7.032   9.167
  392    HA   GLU  58           HA       GLU  58  -6.363   7.576   8.874
  393   1HB   GLU  58          1HB       GLU  58  -4.615   9.447  10.392
  394   2HB   GLU  58          2HB       GLU  58  -6.203   8.814  10.805
  395   1HG   GLU  58          1HG       GLU  58  -4.478   6.613  10.848
  396   2HG   GLU  58          2HG       GLU  58  -3.606   7.924  11.640
  397    H    ILE  59           H        ILE  59  -3.642   8.257   7.185
  398    HA   ILE  59           HA       ILE  59  -4.520  10.940   6.323
  399    HB   ILE  59           HB       ILE  59  -1.941   9.448   5.993
  400   1HG1  ILE  59          1HG1      ILE  59  -2.108  12.324   6.627
  401   2HG1  ILE  59          2HG1      ILE  59  -2.687  11.213   7.863
  402   1HG2  ILE  59          1HG2      ILE  59  -3.115  11.379   4.130
  403   2HG2  ILE  59          2HG2      ILE  59  -1.473  11.759   4.647
  404   3HG2  ILE  59          3HG2      ILE  59  -1.820  10.207   3.885
  405   1HD1  ILE  59          1HD1      ILE  59  -0.187  10.315   6.833
  406   2HD1  ILE  59          2HD1      ILE  59  -0.065  12.001   7.334
  407   3HD1  ILE  59          3HD1      ILE  59  -0.621  10.781   8.476
  408    H    VAL  60           H        VAL  60  -3.796   7.694   5.266
  409    HA   VAL  60           HA       VAL  60  -4.623   8.285   2.544
  410    HB   VAL  60           HB       VAL  60  -3.651   5.649   3.636
  411   1HG1  VAL  60          1HG1      VAL  60  -4.740   6.330   1.181
  412   2HG1  VAL  60          2HG1      VAL  60  -3.000   6.317   0.897
  413   3HG1  VAL  60          3HG1      VAL  60  -3.798   4.886   1.550
  414   1HG2  VAL  60          1HG2      VAL  60  -2.196   8.100   3.400
  415   2HG2  VAL  60          2HG2      VAL  60  -1.599   6.497   3.841
  416   3HG2  VAL  60          3HG2      VAL  60  -1.631   6.989   2.150
  417    H    GLY  61           H        GLY  61  -5.264   5.370   4.480
  418   1HA   GLY  61          1HA       GLY  61  -7.182   4.005   4.232
  419   2HA   GLY  61          2HA       GLY  61  -7.759   5.327   5.233
  420    H    GLU  62           H        GLU  62  -6.974   5.323   1.779
  421    HA   GLU  62           HA       GLU  62  -9.413   6.668   1.152
  422   1HB   GLU  62          1HB       GLU  62  -7.076   5.669  -0.423
  423   2HB   GLU  62          2HB       GLU  62  -8.536   6.177  -1.260
  424   1HG   GLU  62          1HG       GLU  62  -8.127   8.270   0.424
  425   2HG   GLU  62          2HG       GLU  62  -6.473   7.768   0.070
  426    H    ALA  63           H        ALA  63  -8.410   3.398   1.258
  427    HA   ALA  63           HA       ALA  63  -9.967   2.153  -0.633
  428   1HB   ALA  63          1HB       ALA  63  -9.043   1.311   2.066
  429   2HB   ALA  63          2HB       ALA  63 -10.245   0.321   1.230
  430   3HB   ALA  63          3HB       ALA  63  -8.675   0.631   0.479
  431    H    ASN  64           H        ASN  64 -11.992   1.079  -0.508
  432    HA   ASN  64           HA       ASN  64 -14.012   2.632   0.837
  433   1HB   ASN  64          1HB       ASN  64 -15.544   1.386  -0.660
  434   2HB   ASN  64          2HB       ASN  64 -14.240   2.128  -1.569
  435   1HD2  ASN  64          2HD2      ASN  64 -15.290   0.358  -3.001
  436   2HD2  ASN  64          1HD2      ASN  64 -14.459  -1.157  -2.997
  437    HA   PRO  65           HA       PRO  65 -15.022  -0.509   3.768
  438   1HB   PRO  65          1HB       PRO  65 -17.815  -0.730   3.015
  439   2HB   PRO  65          2HB       PRO  65 -17.108   0.110   4.396
  440   1HG   PRO  65          1HG       PRO  65 -18.294   1.394   2.293
  441   2HG   PRO  65          2HG       PRO  65 -17.025   2.118   3.296
  442   1HD   PRO  65          1HD       PRO  65 -16.806   0.856   0.587
  443   2HD   PRO  65          2HD       PRO  65 -15.988   2.299   1.219
  444    H    ASP  66           H        ASP  66 -14.739  -1.324   0.682
  445    HA   ASP  66           HA       ASP  66 -16.060  -3.915   0.781
  446   1HB   ASP  66          1HB       ASP  66 -14.460  -2.549  -1.392
  447   2HB   ASP  66          2HB       ASP  66 -15.190  -4.143  -1.551
  448    H    GLU  67           H        GLU  67 -12.792  -2.810  -0.110
  449    HA   GLU  67           HA       GLU  67 -11.454  -5.184   0.026
  450   1HB   GLU  67          1HB       GLU  67  -9.447  -3.804   0.766
  451   2HB   GLU  67          2HB       GLU  67 -10.247  -3.293  -0.713
  452   1HG   GLU  67          1HG       GLU  67  -9.807  -1.325   0.464
  453   2HG   GLU  67          2HG       GLU  67 -11.524  -1.637   0.715
  454    H    ASN  68           H        ASN  68 -12.489  -3.154   2.694
  455    HA   ASN  68           HA       ASN  68 -11.102  -4.692   4.693
  456   1HB   ASN  68          1HB       ASN  68 -11.467  -2.417   5.251
  457   2HB   ASN  68          2HB       ASN  68 -13.171  -2.501   4.815
  458   1HD2  ASN  68          2HD2      ASN  68 -11.502  -4.954   6.650
  459   2HD2  ASN  68          1HD2      ASN  68 -12.325  -4.676   8.143
  460    H    ASP  69           H        ASP  69 -14.258  -4.701   3.212
  461    HA   ASP  69           HA       ASP  69 -15.377  -6.526   5.164
  462   1HB   ASP  69          1HB       ASP  69 -16.910  -4.939   4.242
  463   2HB   ASP  69          2HB       ASP  69 -16.445  -5.352   2.594
  464    H    LEU  70           H        LEU  70 -13.699  -6.678   2.164
  465    HA   LEU  70           HA       LEU  70 -14.593  -9.315   1.446
  466   1HB   LEU  70          1HB       LEU  70 -13.473  -7.294   0.045
  467   2HB   LEU  70          2HB       LEU  70 -12.057  -8.286   0.334
  468    HG   LEU  70           HG       LEU  70 -14.431  -9.722  -0.678
  469   1HD1  LEU  70          1HD1      LEU  70 -13.981  -7.339  -1.876
  470   2HD1  LEU  70          2HD1      LEU  70 -12.908  -8.388  -2.803
  471   3HD1  LEU  70          3HD1      LEU  70 -14.628  -8.761  -2.695
  472   1HD2  LEU  70          1HD2      LEU  70 -11.463  -9.750  -1.126
  473   2HD2  LEU  70          2HD2      LEU  70 -12.493 -11.010  -0.443
  474   3HD2  LEU  70          3HD2      LEU  70 -12.568 -10.648  -2.167
  475    H    LEU  71           H        LEU  71 -11.746  -7.912   2.996
  476    HA   LEU  71           HA       LEU  71 -10.416 -10.457   3.242
  477   1HB   LEU  71          1HB       LEU  71  -9.840  -7.670   4.174
  478   2HB   LEU  71          2HB       LEU  71  -8.932  -9.019   4.826
  479    HG   LEU  71           HG       LEU  71  -7.841  -7.812   2.910
  480   1HD1  LEU  71          1HD1      LEU  71  -7.773 -10.432   3.602
  481   2HD1  LEU  71          2HD1      LEU  71  -8.208 -10.541   1.896
  482   3HD1  LEU  71          3HD1      LEU  71  -6.738  -9.695   2.379
  483   1HD2  LEU  71          1HD2      LEU  71 -10.121  -7.648   1.698
  484   2HD2  LEU  71          2HD2      LEU  71  -8.665  -7.936   0.747
  485   3HD2  LEU  71          3HD2      LEU  71  -9.748  -9.274   1.127
  486    H    GLN  72           H        GLN  72 -12.720  -8.668   5.029
  487    HA   GLN  72           HA       GLN  72 -12.145  -9.856   7.587
  488   1HB   GLN  72          1HB       GLN  72 -14.194  -7.993   6.493
  489   2HB   GLN  72          2HB       GLN  72 -14.602  -8.884   7.953
  490   1HG   GLN  72          1HG       GLN  72 -12.007  -7.429   7.802
  491   2HG   GLN  72          2HG       GLN  72 -13.495  -6.533   8.100
  492   1HE2  GLN  72          2HE2      GLN  72 -11.244  -8.856   9.347
  493   2HE2  GLN  72          1HE2      GLN  72 -11.836  -8.867  10.970
  494    H    SER  73           H        SER  73 -14.101 -10.607   4.826
  495    HA   SER  73           HA       SER  73 -15.715 -12.552   6.241
  496   1HB   SER  73          1HB       SER  73 -16.736 -11.280   4.423
  497   2HB   SER  73          2HB       SER  73 -15.530 -11.895   3.291
  498    HG   SER  73           HG       SER  73 -17.251 -13.591   4.763
  499    H    THR  74           H        THR  74 -12.782 -12.466   4.418
  500    HA   THR  74           HA       THR  74 -12.675 -15.147   3.565
  501    HB   THR  74           HB       THR  74 -10.201 -14.758   3.452
  502    HG1  THR  74           HG1      THR  74  -9.626 -12.492   3.867
  503   1HG2  THR  74          1HG2      THR  74 -12.179 -13.543   1.914
  504   2HG2  THR  74          2HG2      THR  74 -11.002 -12.275   2.254
  505   3HG2  THR  74          3HG2      THR  74 -10.483 -13.778   1.492
  506    H    GLY  75           H        GLY  75 -11.236 -13.579   6.432
  507   1HA   GLY  75          1HA       GLY  75 -11.643 -14.932   8.532
  508   2HA   GLY  75          2HA       GLY  75 -10.956 -16.268   7.621
  509    H    GLU  76           H        GLU  76  -9.414 -13.414   6.784
  510    HA   GLU  76           HA       GLU  76  -7.173 -14.075   8.565
  511   1HB   GLU  76          1HB       GLU  76  -7.353 -12.930   5.811
  512   2HB   GLU  76          2HB       GLU  76  -5.965 -12.518   6.810
  513   1HG   GLU  76          1HG       GLU  76  -6.451 -15.346   6.896
  514   2HG   GLU  76          2HG       GLU  76  -6.318 -14.791   5.228
  515    HA   PRO  77           HA       PRO  77  -7.872 -10.240  10.670
  516   1HB   PRO  77          1HB       PRO  77  -5.624 -10.186  12.150
  517   2HB   PRO  77          2HB       PRO  77  -6.930 -11.333  12.472
  518   1HG   PRO  77          1HG       PRO  77  -4.353 -11.760  11.009
  519   2HG   PRO  77          2HG       PRO  77  -5.149 -12.806  12.199
  520   1HD   PRO  77          1HD       PRO  77  -5.305 -13.211   9.506
  521   2HD   PRO  77          2HD       PRO  77  -6.579 -13.699  10.641
  522    H    MET  78           H        MET  78  -6.855  -8.128  10.991
  523    HA   MET  78           HA       MET  78  -4.542  -7.441   9.418
  524   1HB   MET  78          1HB       MET  78  -6.906  -5.827   8.648
  525   2HB   MET  78          2HB       MET  78  -5.499  -6.288   7.700
  526   1HG   MET  78          1HG       MET  78  -6.412  -8.553   7.470
  527   2HG   MET  78          2HG       MET  78  -7.838  -8.056   8.379
  528   1HE   MET  78          1HE       MET  78  -8.582  -5.552   7.781
  529   2HE   MET  78          2HE       MET  78  -7.814  -4.776   6.396
  530   3HE   MET  78          3HE       MET  78  -9.454  -5.406   6.255
  531    H    THR  79           H        THR  79  -4.394  -4.878   9.402
  532    HA   THR  79           HA       THR  79  -5.454  -3.779  11.895
  533    HB   THR  79           HB       THR  79  -3.296  -3.026  12.662
  534    HG1  THR  79           HG1      THR  79  -2.086  -4.393  10.508
  535   1HG2  THR  79          1HG2      THR  79  -3.183  -5.936  11.913
  536   2HG2  THR  79          2HG2      THR  79  -2.083  -5.137  13.037
  537   3HG2  THR  79          3HG2      THR  79  -3.802  -5.245  13.414
  538    H    ALA  80           H        ALA  80  -5.492  -1.504  11.987
  539    HA   ALA  80           HA       ALA  80  -6.292  -0.095   9.849
  540   1HB   ALA  80          1HB       ALA  80  -4.910   0.696  12.347
  541   2HB   ALA  80          2HB       ALA  80  -5.050   1.914  11.079
  542   3HB   ALA  80          3HB       ALA  80  -6.499   1.154  11.737
  543    H    GLY  81           H        GLY  81  -5.389  -0.086   7.876
  544   1HA   GLY  81          1HA       GLY  81  -3.726   1.222   6.584
  545   2HA   GLY  81          2HA       GLY  81  -2.526   0.616   7.712
  546    H    THR  82           H        THR  82  -3.724  -2.079   7.745
  547    HA   THR  82           HA       THR  82  -2.267  -3.169   5.547
  548    HB   THR  82           HB       THR  82  -4.138  -4.880   7.087
  549    HG1  THR  82           HG1      THR  82  -1.977  -3.472   8.254
  550   1HG2  THR  82          1HG2      THR  82  -1.554  -5.125   5.800
  551   2HG2  THR  82          2HG2      THR  82  -1.583  -5.813   7.423
  552   3HG2  THR  82          3HG2      THR  82  -2.741  -6.362   6.213
  553    H    ARG  83           H        ARG  83  -3.156  -2.733   3.579
  554    HA   ARG  83           HA       ARG  83  -5.377  -4.280   2.738
  555   1HB   ARG  83          1HB       ARG  83  -7.021  -2.648   2.314
  556   2HB   ARG  83          2HB       ARG  83  -6.472  -2.316   3.952
  557   1HG   ARG  83          1HG       ARG  83  -5.234  -0.434   3.263
  558   2HG   ARG  83          2HG       ARG  83  -5.364  -0.879   1.559
  559   1HD   ARG  83          1HD       ARG  83  -7.804  -0.515   1.690
  560   2HD   ARG  83          2HD       ARG  83  -7.612   0.015   3.361
  561    HE   ARG  83           HE       ARG  83  -7.161   1.564   1.033
  562   1HH1  ARG  83          1HH1      ARG  83  -5.946   0.998   4.246
  563   2HH1  ARG  83          2HH1      ARG  83  -5.284   2.589   4.416
  564   1HH2  ARG  83          1HH2      ARG  83  -6.294   3.662   1.247
  565   2HH2  ARG  83          2HH2      ARG  83  -5.481   4.103   2.711
  566    H    LEU  84           H        LEU  84  -5.713  -4.194   0.455
  567    HA   LEU  84           HA       LEU  84  -3.405  -3.822  -1.065
  568   1HB   LEU  84          1HB       LEU  84  -5.264  -3.692  -2.984
  569   2HB   LEU  84          2HB       LEU  84  -4.803  -5.192  -2.203
  570    HG   LEU  84           HG       LEU  84  -7.039  -3.656  -0.987
  571   1HD1  LEU  84          1HD1      LEU  84  -7.023  -4.527  -3.748
  572   2HD1  LEU  84          2HD1      LEU  84  -8.281  -5.331  -2.807
  573   3HD1  LEU  84          3HD1      LEU  84  -8.217  -3.570  -2.870
  574   1HD2  LEU  84          1HD2      LEU  84  -5.925  -6.317  -0.917
  575   2HD2  LEU  84          2HD2      LEU  84  -7.077  -5.550   0.177
  576   3HD2  LEU  84          3HD2      LEU  84  -7.650  -6.358  -1.282
  577    H    SER  85           H        SER  85  -2.401  -1.978  -1.521
  578    HA   SER  85           HA       SER  85  -3.879   0.520  -1.508
  579   1HB   SER  85          1HB       SER  85  -1.732   0.354  -0.302
  580   2HB   SER  85          2HB       SER  85  -0.911   0.044  -1.832
  581    HG   SER  85           HG       SER  85  -2.112   2.406  -0.897
  582    H    CYS  86           H        CYS  86  -3.025  -1.740  -3.845
  583    HA   CYS  86           HA       CYS  86  -2.172  -0.185  -5.984
  584   1HB   CYS  86          1HB       CYS  86  -2.906  -1.940  -7.441
  585   2HB   CYS  86          2HB       CYS  86  -2.292  -2.681  -5.969
  586    H    GLN  87           H        GLN  87  -5.172  -0.158  -4.388
  587    HA   GLN  87           HA       GLN  87  -6.476   1.175  -6.652
  588   1HB   GLN  87          1HB       GLN  87  -7.685  -0.713  -5.596
  589   2HB   GLN  87          2HB       GLN  87  -7.701   0.173  -4.078
  590   1HG   GLN  87          1HG       GLN  87  -9.420   1.452  -4.704
  591   2HG   GLN  87          2HG       GLN  87  -8.775   1.689  -6.328
  592   1HE2  GLN  87          2HE2      GLN  87 -11.380   1.436  -6.212
  593   2HE2  GLN  87          1HE2      GLN  87 -11.910  -0.122  -6.739
  594    H    VAL  88           H        VAL  88  -4.599   2.036  -4.115
  595    HA   VAL  88           HA       VAL  88  -6.158   4.437  -3.482
  596    HB   VAL  88           HB       VAL  88  -3.877   3.056  -2.086
  597   1HG1  VAL  88          1HG1      VAL  88  -3.445   5.475  -2.152
  598   2HG1  VAL  88          2HG1      VAL  88  -5.013   5.753  -1.391
  599   3HG1  VAL  88          3HG1      VAL  88  -3.752   4.878  -0.521
  600   1HG2  VAL  88          1HG2      VAL  88  -6.179   2.269  -1.678
  601   2HG2  VAL  88          2HG2      VAL  88  -5.414   2.927  -0.231
  602   3HG2  VAL  88          3HG2      VAL  88  -6.607   3.883  -1.110
  603    H    PHE  89           H        PHE  89  -5.623   6.236  -4.579
  604    HA   PHE  89           HA       PHE  89  -2.901   6.414  -5.661
  605   1HB   PHE  89          1HB       PHE  89  -5.364   7.858  -6.626
  606   2HB   PHE  89          2HB       PHE  89  -3.780   7.845  -7.400
  607    HD1  PHE  89           HD1      PHE  89  -3.610   4.788  -6.411
  608    HD2  PHE  89           HD2      PHE  89  -6.194   7.074  -8.897
  609    HE1  PHE  89           HE1      PHE  89  -4.233   2.732  -7.634
  610    HE2  PHE  89           HE2      PHE  89  -6.826   5.035 -10.137
  611    HZ   PHE  89           HZ       PHE  89  -5.841   2.858  -9.507
  612    H    ILE  90           H        ILE  90  -1.680   8.141  -5.459
  613    HA   ILE  90           HA       ILE  90  -1.656   9.665  -3.197
  614    HB   ILE  90           HB       ILE  90  -0.443  10.115  -5.915
  615   1HG1  ILE  90          1HG1      ILE  90   0.032   8.143  -4.146
  616   2HG1  ILE  90          2HG1      ILE  90   1.267   8.800  -5.217
  617   1HG2  ILE  90          1HG2      ILE  90  -0.018  11.620  -3.361
  618   2HG2  ILE  90          2HG2      ILE  90   1.237  11.480  -4.593
  619   3HG2  ILE  90          3HG2      ILE  90  -0.299  12.256  -4.978
  620   1HD1  ILE  90          1HD1      ILE  90   1.942  10.355  -3.408
  621   2HD1  ILE  90          2HD1      ILE  90   0.773   9.548  -2.353
  622   3HD1  ILE  90          3HD1      ILE  90   2.141   8.642  -2.995
  623    H    ASP  91           H        ASP  91  -1.783  11.991  -2.952
  624    HA   ASP  91           HA       ASP  91  -3.104  13.744  -4.664
  625   1HB   ASP  91          1HB       ASP  91  -5.318  13.574  -4.071
  626   2HB   ASP  91          2HB       ASP  91  -4.873  11.955  -3.558
  627    HA   PRO  92           HA       PRO  92  -1.309  16.451  -1.633
  628   1HB   PRO  92          1HB       PRO  92  -3.755  18.092  -1.410
  629   2HB   PRO  92          2HB       PRO  92  -2.154  18.542  -2.005
  630   1HG   PRO  92          1HG       PRO  92  -4.212  18.255  -3.691
  631   2HG   PRO  92          2HG       PRO  92  -2.575  17.742  -4.144
  632   1HD   PRO  92          1HD       PRO  92  -4.876  16.077  -3.174
  633   2HD   PRO  92          2HD       PRO  92  -3.744  15.754  -4.509
  634    H    SER  93           H        SER  93  -2.479  14.181  -0.576
  635    HA   SER  93           HA       SER  93  -3.170  15.043   2.124
  636   1HB   SER  93          1HB       SER  93  -5.164  13.951   2.154
  637   2HB   SER  93          2HB       SER  93  -5.061  14.043   0.386
  638    HG   SER  93           HG       SER  93  -4.776  11.888   2.078
  639    H    MET  94           H        MET  94  -2.062  12.570  -0.102
  640    HA   MET  94           HA       MET  94  -0.738  11.096   2.055
  641   1HB   MET  94          1HB       MET  94  -1.601  10.298  -0.731
  642   2HB   MET  94          2HB       MET  94  -0.612   9.279   0.301
  643   1HG   MET  94          1HG       MET  94  -2.419   8.489   1.289
  644   2HG   MET  94          2HG       MET  94  -2.906  10.113   1.763
  645   1HE   MET  94          1HE       MET  94  -2.639   7.569  -0.864
  646   2HE   MET  94          2HE       MET  94  -4.262   7.439  -1.540
  647   3HE   MET  94          3HE       MET  94  -3.101   8.561  -2.248
  648    H    ASP  95           H        ASP  95   0.378  13.484   1.176
  649    HA   ASP  95           HA       ASP  95   2.395  12.832  -0.727
  650   1HB   ASP  95          1HB       ASP  95   2.347  15.461   0.666
  651   2HB   ASP  95          2HB       ASP  95   2.662  15.111  -1.017
  652    H    GLY  96           H        GLY  96   4.401  12.264  -0.203
  653   1HA   GLY  96          1HA       GLY  96   6.289  11.943   1.124
  654   2HA   GLY  96          2HA       GLY  96   5.570  13.022   2.322
  655    H    LEU  97           H        LEU  97   3.751  10.441   0.959
  656    HA   LEU  97           HA       LEU  97   3.163   9.372   3.504
  657   1HB   LEU  97          1HB       LEU  97   1.468   8.296   2.498
  658   2HB   LEU  97          2HB       LEU  97   1.807   9.459   1.232
  659    HG   LEU  97           HG       LEU  97   3.462   7.294   0.641
  660   1HD1  LEU  97          1HD1      LEU  97   2.245   5.924   2.244
  661   2HD1  LEU  97          2HD1      LEU  97   0.724   6.338   1.455
  662   3HD1  LEU  97          3HD1      LEU  97   1.936   5.394   0.592
  663   1HD2  LEU  97          1HD2      LEU  97   2.026   8.870  -0.797
  664   2HD2  LEU  97          2HD2      LEU  97   2.237   7.205  -1.341
  665   3HD2  LEU  97          3HD2      LEU  97   0.739   7.689  -0.547
  666    H    ILE  98           H        ILE  98   3.360   7.206   4.174
  667    HA   ILE  98           HA       ILE  98   5.829   5.981   3.199
  668    HB   ILE  98           HB       ILE  98   4.805   5.957   6.004
  669   1HG1  ILE  98          1HG1      ILE  98   6.806   7.317   6.494
  670   2HG1  ILE  98          2HG1      ILE  98   7.173   7.355   4.768
  671   1HG2  ILE  98          1HG2      ILE  98   5.954   3.880   5.432
  672   2HG2  ILE  98          2HG2      ILE  98   7.353   4.810   4.895
  673   3HG2  ILE  98          3HG2      ILE  98   6.877   4.834   6.592
  674   1HD1  ILE  98          1HD1      ILE  98   4.470   8.152   5.314
  675   2HD1  ILE  98          2HD1      ILE  98   5.637   9.170   6.160
  676   3HD1  ILE  98          3HD1      ILE  98   5.725   8.988   4.408
  677    H    VAL  99           H        VAL  99   5.840   3.878   2.683
  678    HA   VAL  99           HA       VAL  99   3.409   2.386   3.288
  679    HB   VAL  99           HB       VAL  99   4.854   1.520   0.930
  680   1HG1  VAL  99          1HG1      VAL  99   2.168   1.667   2.070
  681   2HG1  VAL  99          2HG1      VAL  99   2.248   1.804   0.307
  682   3HG1  VAL  99          3HG1      VAL  99   2.938   0.392   1.114
  683   1HG2  VAL  99          1HG2      VAL  99   5.013   3.992   0.726
  684   2HG2  VAL  99          2HG2      VAL  99   4.005   3.255  -0.519
  685   3HG2  VAL  99          3HG2      VAL  99   3.256   4.077   0.848
  686    H    ARG 100           H        ARG 100   3.603   0.052   3.393
  687    HA   ARG 100           HA       ARG 100   6.310  -0.958   3.782
  688   1HB   ARG 100          1HB       ARG 100   4.303  -1.680   5.870
  689   2HB   ARG 100          2HB       ARG 100   6.057  -1.650   5.970
  690   1HG   ARG 100          1HG       ARG 100   6.062   0.748   6.123
  691   2HG   ARG 100          2HG       ARG 100   4.318   0.804   5.851
  692   1HD   ARG 100          1HD       ARG 100   3.895   0.434   8.007
  693   2HD   ARG 100          2HD       ARG 100   4.968  -0.963   8.035
  694    HE   ARG 100           HE       ARG 100   6.520   1.376   8.082
  695   1HH1  ARG 100          1HH1      ARG 100   4.294  -0.392  10.092
  696   2HH1  ARG 100          2HH1      ARG 100   5.019   0.128  11.577
  697   1HH2  ARG 100          1HH2      ARG 100   7.484   2.068  10.034
  698   2HH2  ARG 100          2HH2      ARG 100   6.833   1.526  11.545
  699    H    VAL 101           H        VAL 101   6.381  -3.323   4.004
  700    HA   VAL 101           HA       VAL 101   4.164  -4.584   2.526
  701    HB   VAL 101           HB       VAL 101   7.053  -5.471   2.549
  702   1HG1  VAL 101          1HG1      VAL 101   5.257  -7.184   2.124
  703   2HG1  VAL 101          2HG1      VAL 101   4.848  -6.276   0.667
  704   3HG1  VAL 101          3HG1      VAL 101   6.449  -6.996   0.839
  705   1HG2  VAL 101          1HG2      VAL 101   5.944  -3.267   1.218
  706   2HG2  VAL 101          2HG2      VAL 101   7.520  -4.010   0.943
  707   3HG2  VAL 101          3HG2      VAL 101   6.124  -4.531   0.001
  708    HA   PRO 102           HA       PRO 102   3.519  -7.150   6.073
  709   1HB   PRO 102          1HB       PRO 102   2.311  -9.261   4.838
  710   2HB   PRO 102          2HB       PRO 102   1.491  -7.733   5.181
  711   1HG   PRO 102          1HG       PRO 102   2.744  -8.683   2.633
  712   2HG   PRO 102          2HG       PRO 102   1.195  -7.853   2.877
  713   1HD   PRO 102          1HD       PRO 102   3.387  -6.543   2.025
  714   2HD   PRO 102          2HD       PRO 102   2.200  -5.776   3.101
  715    H    LEU 103           H        LEU 103   3.663  -9.670   6.490
  716    HA   LEU 103           HA       LEU 103   6.439 -10.346   6.036
  717   1HB   LEU 103          1HB       LEU 103   4.289 -11.736   7.631
  718   2HB   LEU 103          2HB       LEU 103   5.972 -12.223   7.587
  719    HG   LEU 103           HG       LEU 103   5.035  -9.529   8.572
  720   1HD1  LEU 103          1HD1      LEU 103   4.322 -11.688   9.856
  721   2HD1  LEU 103          2HD1      LEU 103   6.010 -11.703  10.366
  722   3HD1  LEU 103          3HD1      LEU 103   4.989 -10.312  10.734
  723   1HD2  LEU 103          1HD2      LEU 103   7.674 -10.961   8.540
  724   2HD2  LEU 103          2HD2      LEU 103   7.283  -9.358   7.918
  725   3HD2  LEU 103          3HD2      LEU 103   7.337  -9.640   9.658
  726    HA   PRO 104           HA       PRO 104   5.641 -12.967   2.539
  727   1HB   PRO 104          1HB       PRO 104   8.173 -14.279   3.300
  728   2HB   PRO 104          2HB       PRO 104   7.742 -13.457   1.799
  729   1HG   PRO 104          1HG       PRO 104   9.443 -12.360   3.553
  730   2HG   PRO 104          2HG       PRO 104   8.303 -11.374   2.618
  731   1HD   PRO 104          1HD       PRO 104   8.150 -12.257   5.473
  732   2HD   PRO 104          2HD       PRO 104   7.716 -10.694   4.748
  733    H    ALA 105           H        ALA 105   6.030 -15.440   2.099
  734    HA   ALA 105           HA       ALA 105   5.432 -17.053   4.463
  735   1HB   ALA 105          1HB       ALA 105   3.570 -16.556   2.192
  736   2HB   ALA 105          2HB       ALA 105   3.589 -18.151   2.945
  737   3HB   ALA 105          3HB       ALA 105   3.231 -16.722   3.915
  Start of MODEL   12
    1   2H    PRO   1          2H        PRO   1   3.847  14.926  -5.288
    2   1H    PRO   1          1H        PRO   1   4.581  13.481  -5.586
    3    HA   PRO   1           HA       PRO   1   4.531  14.937  -3.328
    4   1HB   PRO   1          1HB       PRO   1   3.588  12.213  -2.647
    5   2HB   PRO   1          2HB       PRO   1   3.314  13.730  -1.823
    6   1HG   PRO   1          1HG       PRO   1   1.372  12.742  -3.188
    7   2HG   PRO   1          2HG       PRO   1   1.754  14.462  -3.401
    8   1HD   PRO   1          1HD       PRO   1   2.659  12.140  -5.101
    9   2HD   PRO   1          2HD       PRO   1   1.802  13.591  -5.621
   10    H    ARG   2           H        ARG   2   5.361  13.150  -1.561
   11    HA   ARG   2           HA       ARG   2   7.696  11.821  -2.830
   12   1HB   ARG   2          1HB       ARG   2   8.676  13.530  -1.549
   13   2HB   ARG   2          2HB       ARG   2   7.461  13.404  -0.282
   14   1HG   ARG   2          1HG       ARG   2   8.401  11.266   0.416
   15   2HG   ARG   2          2HG       ARG   2   9.613  11.381  -0.859
   16   1HD   ARG   2          1HD       ARG   2   9.275  13.348   1.400
   17   2HD   ARG   2          2HD       ARG   2  10.469  12.054   1.357
   18    HE   ARG   2           HE       ARG   2  11.697  13.253  -0.201
   19   1HH1  ARG   2          1HH1      ARG   2   8.653  14.826   0.435
   20   2HH1  ARG   2          2HH1      ARG   2   9.122  16.317  -0.312
   21   1HH2  ARG   2          1HH2      ARG   2  12.323  15.213  -1.180
   22   2HH2  ARG   2          2HH2      ARG   2  11.209  16.537  -1.229
   23    H    VAL   3           H        VAL   3   8.433   9.811  -1.455
   24    HA   VAL   3           HA       VAL   3   6.384   8.854   0.314
   25    HB   VAL   3           HB       VAL   3   6.365   8.194  -2.536
   26   1HG1  VAL   3          1HG1      VAL   3   7.102   6.046  -1.198
   27   2HG1  VAL   3          2HG1      VAL   3   5.386   6.018  -0.820
   28   3HG1  VAL   3          3HG1      VAL   3   5.913   6.018  -2.503
   29   1HG2  VAL   3          1HG2      VAL   3   4.504   8.346  -0.249
   30   2HG2  VAL   3          2HG2      VAL   3   4.480   9.201  -1.805
   31   3HG2  VAL   3          3HG2      VAL   3   4.053   7.493  -1.737
   32    H    VAL   4           H        VAL   4   6.742   6.630   1.012
   33    HA   VAL   4           HA       VAL   4   9.387   5.603   0.546
   34    HB   VAL   4           HB       VAL   4   8.678   6.772   3.206
   35   1HG1  VAL   4          1HG1      VAL   4  10.278   4.352   2.634
   36   2HG1  VAL   4          2HG1      VAL   4  10.987   5.519   3.753
   37   3HG1  VAL   4          3HG1      VAL   4   9.408   4.812   4.098
   38   1HG2  VAL   4          1HG2      VAL   4  10.685   7.146   1.097
   39   2HG2  VAL   4          2HG2      VAL   4   9.990   8.317   2.218
   40   3HG2  VAL   4          3HG2      VAL   4  11.290   7.251   2.752
   41    H    PHE   5           H        PHE   5   9.065   3.668   0.129
   42    HA   PHE   5           HA       PHE   5   6.919   2.098   1.357
   43   1HB   PHE   5          1HB       PHE   5   8.857   1.655  -0.894
   44   2HB   PHE   5          2HB       PHE   5   7.836   0.371  -0.285
   45    HD1  PHE   5           HD1      PHE   5   6.616   3.902  -0.706
   46    HD2  PHE   5           HD2      PHE   5   6.771  -0.050  -2.274
   47    HE1  PHE   5           HE1      PHE   5   4.960   4.493  -2.393
   48    HE2  PHE   5           HE2      PHE   5   5.109   0.517  -3.927
   49    HZ   PHE   5           HZ       PHE   5   4.164   2.793  -4.000
   50    H    ILE   6           H        ILE   6   7.641  -0.225   1.879
   51    HA   ILE   6           HA       ILE   6  10.341  -0.542   2.826
   52    HB   ILE   6           HB       ILE   6   8.094  -1.115   4.716
   53   1HG1  ILE   6          1HG1      ILE   6   8.245   1.356   4.027
   54   2HG1  ILE   6          2HG1      ILE   6   8.314   1.004   5.745
   55   1HG2  ILE   6          1HG2      ILE   6  10.972  -1.313   4.646
   56   2HG2  ILE   6          2HG2      ILE   6  10.369  -0.520   6.101
   57   3HG2  ILE   6          3HG2      ILE   6   9.804  -2.135   5.673
   58   1HD1  ILE   6          1HD1      ILE   6  10.939   0.972   4.734
   59   2HD1  ILE   6          2HD1      ILE   6  10.133   2.410   4.116
   60   3HD1  ILE   6          3HD1      ILE   6  10.206   2.120   5.853
   61    H    ASP   7           H        ASP   7  10.735  -2.799   3.558
   62    HA   ASP   7           HA       ASP   7   8.834  -4.834   3.136
   63   1HB   ASP   7          1HB       ASP   7   9.475  -3.952   0.766
   64   2HB   ASP   7          2HB       ASP   7  10.942  -4.892   1.011
   65    H    GLU   8           H        GLU   8  10.285  -7.016   2.637
   66    HA   GLU   8           HA       GLU   8  12.180  -7.033   4.854
   67   1HB   GLU   8          1HB       GLU   8  10.455  -8.652   5.104
   68   2HB   GLU   8          2HB       GLU   8  10.642  -9.210   3.446
   69   1HG   GLU   8          1HG       GLU   8  12.304 -10.597   3.972
   70   2HG   GLU   8          2HG       GLU   8  13.059  -9.429   5.054
   71    H    GLN   9           H        GLN   9  12.235  -6.818   1.529
   72    HA   GLN   9           HA       GLN   9  14.623  -8.442   1.158
   73   1HB   GLN   9          1HB       GLN   9  13.663  -6.635  -0.995
   74   2HB   GLN   9          2HB       GLN   9  14.263  -8.283  -1.096
   75   1HG   GLN   9          1HG       GLN   9  12.045  -8.892   0.097
   76   2HG   GLN   9          2HG       GLN   9  11.517  -7.307  -0.464
   77   1HE2  GLN   9          2HE2      GLN   9  13.178  -7.469  -2.870
   78   2HE2  GLN   9          1HE2      GLN   9  12.361  -8.553  -3.937
   79    H    SER  10           H        SER  10  13.699  -5.079   1.450
   80    HA   SER  10           HA       SER  10  16.552  -4.371   1.494
   81   1HB   SER  10          1HB       SER  10  14.842  -3.611  -0.541
   82   2HB   SER  10          2HB       SER  10  14.836  -2.209   0.528
   83    HG   SER  10           HG       SER  10  17.123  -3.480  -0.574
   84    H    GLY  11           H        GLY  11  13.812  -4.572   3.236
   85   1HA   GLY  11          1HA       GLY  11  13.050  -3.599   5.170
   86   2HA   GLY  11          2HA       GLY  11  14.726  -3.165   5.433
   87    H    GLU  12           H        GLU  12  13.296  -1.932   2.610
   88    HA   GLU  12           HA       GLU  12  11.900   0.287   3.346
   89   1HB   GLU  12          1HB       GLU  12  13.603   1.147   4.717
   90   2HB   GLU  12          2HB       GLU  12  14.860   0.760   3.549
   91   1HG   GLU  12          1HG       GLU  12  14.081   2.488   2.065
   92   2HG   GLU  12          2HG       GLU  12  12.707   2.818   3.120
   93    H    TYR  13           H        TYR  13  11.387   1.588   1.669
   94    HA   TYR  13           HA       TYR  13  12.859   1.325  -0.820
   95   1HB   TYR  13          1HB       TYR  13  10.033   0.422  -0.379
   96   2HB   TYR  13          2HB       TYR  13  10.636   0.841  -1.981
   97    HD1  TYR  13           HD1      TYR  13  11.292  -1.353   0.940
   98    HD2  TYR  13           HD2      TYR  13  11.829  -0.714  -3.219
   99    HE1  TYR  13           HE1      TYR  13  12.253  -3.614   0.731
  100    HE2  TYR  13           HE2      TYR  13  12.763  -2.953  -3.468
  101    HH   TYR  13           HH       TYR  13  13.940  -4.631  -2.010
  102    H    ALA  14           H        ALA  14  13.077   3.548   0.382
  103    HA   ALA  14           HA       ALA  14  11.130   5.488   0.404
  104   1HB   ALA  14          1HB       ALA  14  14.074   5.506   0.167
  105   2HB   ALA  14          2HB       ALA  14  13.241   6.987  -0.306
  106   3HB   ALA  14          3HB       ALA  14  13.023   6.333   1.317
  107    H    VAL  15           H        VAL  15  10.277   6.925  -1.035
  108    HA   VAL  15           HA       VAL  15  11.152   7.117  -3.740
  109    HB   VAL  15           HB       VAL  15  10.031   4.861  -3.544
  110   1HG1  VAL  15          1HG1      VAL  15   7.572   6.576  -3.312
  111   2HG1  VAL  15          2HG1      VAL  15   7.551   4.891  -3.876
  112   3HG1  VAL  15          3HG1      VAL  15   8.126   5.269  -2.258
  113   1HG2  VAL  15          1HG2      VAL  15   9.951   6.825  -5.610
  114   2HG2  VAL  15          2HG2      VAL  15  10.094   5.074  -5.744
  115   3HG2  VAL  15          3HG2      VAL  15   8.498   5.819  -5.674
  116    H    ASP  16           H        ASP  16   8.600   7.636  -4.779
  117    HA   ASP  16           HA       ASP  16   7.359   9.721  -3.300
  118   1HB   ASP  16          1HB       ASP  16   8.503  10.448  -5.934
  119   2HB   ASP  16          2HB       ASP  16   7.956  11.512  -4.647
  120    H    ALA  17           H        ALA  17   5.608  10.618  -4.568
  121    HA   ALA  17           HA       ALA  17   4.803   8.971  -6.838
  122   1HB   ALA  17          1HB       ALA  17   4.042   8.408  -4.313
  123   2HB   ALA  17          2HB       ALA  17   2.724   9.476  -4.863
  124   3HB   ALA  17          3HB       ALA  17   3.112   7.999  -5.772
  125    H    GLN  18           H        GLN  18   2.413   9.828  -7.395
  126    HA   GLN  18           HA       GLN  18   2.360  12.751  -7.255
  127   1HB   GLN  18          1HB       GLN  18   1.825  11.433  -9.892
  128   2HB   GLN  18          2HB       GLN  18   2.272  13.099  -9.555
  129   1HG   GLN  18          1HG       GLN  18   4.534  12.310  -8.919
  130   2HG   GLN  18          2HG       GLN  18   4.061  10.686  -9.417
  131   1HE2  GLN  18          2HE2      GLN  18   6.107  12.618 -10.428
  132   2HE2  GLN  18          1HE2      GLN  18   5.796  12.743 -12.123
  133    H    ASP  19           H        ASP  19   0.366  13.471  -6.806
  134    HA   ASP  19           HA       ASP  19  -1.745  12.022  -6.045
  135   1HB   ASP  19          1HB       ASP  19  -2.199  14.482  -7.697
  136   2HB   ASP  19          2HB       ASP  19  -3.160  13.895  -6.353
  137    H    GLY  20           H        GLY  20  -2.673  10.360  -6.878
  138   1HA   GLY  20          1HA       GLY  20  -4.396   9.736  -8.557
  139   2HA   GLY  20          2HA       GLY  20  -3.291  10.384  -9.763
  140    H    GLN  21           H        GLN  21  -1.458   8.917  -7.386
  141    HA   GLN  21           HA       GLN  21  -1.521   6.330  -8.805
  142   1HB   GLN  21          1HB       GLN  21   0.929   7.741  -7.743
  143   2HB   GLN  21          2HB       GLN  21   0.906   6.176  -8.544
  144   1HG   GLN  21          1HG       GLN  21   0.644   7.081 -10.613
  145   2HG   GLN  21          2HG       GLN  21  -0.227   8.483 -10.005
  146   1HE2  GLN  21          2HE2      GLN  21   2.653   7.666  -8.376
  147   2HE2  GLN  21          1HE2      GLN  21   3.646   8.905  -9.036
  148    H    SER  22           H        SER  22  -1.159   4.495  -7.573
  149    HA   SER  22           HA       SER  22  -1.645   4.872  -4.726
  150   1HB   SER  22          1HB       SER  22  -1.905   2.276  -4.907
  151   2HB   SER  22          2HB       SER  22  -3.172   3.315  -5.552
  152    HG   SER  22           HG       SER  22  -2.359   1.548  -6.941
  153    H    LEU  23           H        LEU  23  -0.658   2.749  -3.497
  154    HA   LEU  23           HA       LEU  23   2.247   3.162  -3.668
  155   1HB   LEU  23          1HB       LEU  23   0.548   1.660  -1.670
  156   2HB   LEU  23          2HB       LEU  23   2.295   1.797  -1.583
  157    HG   LEU  23           HG       LEU  23   1.776   3.492  -0.176
  158   1HD1  LEU  23          1HD1      LEU  23   1.572   4.719  -2.907
  159   2HD1  LEU  23          2HD1      LEU  23   1.553   5.683  -1.436
  160   3HD1  LEU  23          3HD1      LEU  23   2.954   4.687  -1.813
  161   1HD2  LEU  23          1HD2      LEU  23  -0.708   2.970  -0.529
  162   2HD2  LEU  23          2HD2      LEU  23  -0.275   4.596  -0.003
  163   3HD2  LEU  23          3HD2      LEU  23  -0.685   4.297  -1.691
  164    H    MET  24           H        MET  24   0.463   1.506  -5.527
  165    HA   MET  24           HA       MET  24   1.899  -1.047  -5.327
  166   1HB   MET  24          1HB       MET  24   0.196  -2.021  -6.670
  167   2HB   MET  24          2HB       MET  24  -0.641  -1.034  -5.478
  168   1HG   MET  24          1HG       MET  24  -1.772  -0.481  -7.383
  169   2HG   MET  24          2HG       MET  24  -0.543   0.782  -7.349
  170   1HE   MET  24          1HE       MET  24  -2.463  -1.278  -9.361
  171   2HE   MET  24          2HE       MET  24  -1.989   0.154 -10.275
  172   3HE   MET  24          3HE       MET  24  -1.579  -1.452 -10.878
  173    H    GLU  25           H        GLU  25   1.380   1.807  -7.207
  174    HA   GLU  25           HA       GLU  25   2.902   0.780  -9.454
  175   1HB   GLU  25          1HB       GLU  25   1.858   3.588  -9.164
  176   2HB   GLU  25          2HB       GLU  25   2.272   2.734 -10.643
  177   1HG   GLU  25          1HG       GLU  25   0.360   1.297 -10.406
  178   2HG   GLU  25          2HG       GLU  25  -0.019   2.006  -8.837
  179    H    VAL  26           H        VAL  26   3.262   3.253  -6.909
  180    HA   VAL  26           HA       VAL  26   5.609   4.354  -7.860
  181    HB   VAL  26           HB       VAL  26   5.847   3.742  -5.005
  182   1HG1  VAL  26          1HG1      VAL  26   7.025   5.399  -6.552
  183   2HG1  VAL  26          2HG1      VAL  26   5.591   6.389  -6.340
  184   3HG1  VAL  26          3HG1      VAL  26   6.558   5.939  -4.944
  185   1HG2  VAL  26          1HG2      VAL  26   3.384   3.880  -5.247
  186   2HG2  VAL  26          2HG2      VAL  26   4.140   5.089  -4.206
  187   3HG2  VAL  26          3HG2      VAL  26   3.616   5.532  -5.832
  188    H    ALA  27           H        ALA  27   5.212   1.677  -5.663
  189    HA   ALA  27           HA       ALA  27   7.532   0.626  -5.161
  190   1HB   ALA  27          1HB       ALA  27   4.979  -0.477  -5.487
  191   2HB   ALA  27          2HB       ALA  27   6.090  -1.546  -6.349
  192   3HB   ALA  27          3HB       ALA  27   6.353  -1.188  -4.638
  193    H    THR  28           H        THR  28   6.018  -0.700  -8.047
  194    HA   THR  28           HA       THR  28   8.257  -1.802  -9.162
  195    HB   THR  28           HB       THR  28   6.997  -2.222 -11.001
  196    HG1  THR  28           HG1      THR  28   7.096  -0.129 -11.848
  197   1HG2  THR  28          1HG2      THR  28   5.465  -2.554  -9.048
  198   2HG2  THR  28          2HG2      THR  28   4.733  -1.005  -9.467
  199   3HG2  THR  28          3HG2      THR  28   4.683  -2.344 -10.615
  200    H    GLN  29           H        GLN  29   7.288   1.521  -9.089
  201    HA   GLN  29           HA       GLN  29   9.238   2.348 -11.053
  202   1HB   GLN  29          1HB       GLN  29   7.613   4.029  -9.139
  203   2HB   GLN  29          2HB       GLN  29   8.563   4.636 -10.487
  204   1HG   GLN  29          1HG       GLN  29   6.720   2.623 -11.385
  205   2HG   GLN  29          2HG       GLN  29   5.875   3.890 -10.496
  206   1HE2  GLN  29          2HE2      GLN  29   7.843   3.155 -13.272
  207   2HE2  GLN  29          1HE2      GLN  29   7.532   4.621 -14.132
  208    H    ASN  30           H        ASN  30   9.011   2.068  -7.597
  209    HA   ASN  30           HA       ASN  30  11.518   3.460  -7.143
  210   1HB   ASN  30          1HB       ASN  30  10.410   1.912  -4.914
  211   2HB   ASN  30          2HB       ASN  30  10.843   3.604  -4.976
  212   1HD2  ASN  30          2HD2      ASN  30   8.464   2.172  -3.908
  213   2HD2  ASN  30          1HD2      ASN  30   7.119   2.892  -4.647
  214    H    GLY  31           H        GLY  31  10.869   0.564  -8.397
  215   1HA   GLY  31          1HA       GLY  31  12.229  -1.286  -8.726
  216   2HA   GLY  31          2HA       GLY  31  13.403  -0.568  -7.629
  217    H    VAL  32           H        VAL  32  10.321  -0.601  -6.330
  218    HA   VAL  32           HA       VAL  32  10.956  -2.301  -4.203
  219    HB   VAL  32           HB       VAL  32   8.217  -1.505  -5.085
  220   1HG1  VAL  32          1HG1      VAL  32   8.528  -3.077  -3.124
  221   2HG1  VAL  32          2HG1      VAL  32   9.209  -1.678  -2.280
  222   3HG1  VAL  32          3HG1      VAL  32   7.541  -1.631  -2.871
  223   1HG2  VAL  32          1HG2      VAL  32  10.314   0.134  -3.739
  224   2HG2  VAL  32          2HG2      VAL  32   9.367   0.516  -5.180
  225   3HG2  VAL  32          3HG2      VAL  32   8.594   0.493  -3.593
  226    HA   PRO  33           HA       PRO  33  10.397  -6.502  -5.231
  227   1HB   PRO  33          1HB       PRO  33   8.206  -6.567  -3.270
  228   2HB   PRO  33          2HB       PRO  33   9.726  -7.460  -3.278
  229   1HG   PRO  33          1HG       PRO  33   9.086  -5.053  -1.829
  230   2HG   PRO  33          2HG       PRO  33  10.591  -5.971  -1.794
  231   1HD   PRO  33          1HD       PRO  33  10.321  -3.447  -2.829
  232   2HD   PRO  33          2HD       PRO  33  11.599  -4.583  -3.278
  233    H    GLY  34           H        GLY  34   7.636  -4.382  -5.023
  234   1HA   GLY  34          1HA       GLY  34   5.732  -4.215  -6.298
  235   2HA   GLY  34          2HA       GLY  34   6.584  -5.157  -7.511
  236    H    ILE  35           H        ILE  35   5.413  -5.906  -4.233
  237    HA   ILE  35           HA       ILE  35   4.354  -8.430  -5.204
  238    HB   ILE  35           HB       ILE  35   4.243  -7.322  -2.398
  239   1HG1  ILE  35          1HG1      ILE  35   6.217  -9.409  -3.165
  240   2HG1  ILE  35          2HG1      ILE  35   6.557  -7.760  -3.681
  241   1HG2  ILE  35          1HG2      ILE  35   3.040  -9.559  -3.567
  242   2HG2  ILE  35          2HG2      ILE  35   4.399 -10.181  -2.632
  243   3HG2  ILE  35          3HG2      ILE  35   3.171  -9.187  -1.848
  244   1HD1  ILE  35          1HD1      ILE  35   5.779  -7.708  -0.949
  245   2HD1  ILE  35          2HD1      ILE  35   7.022  -8.941  -1.167
  246   3HD1  ILE  35          3HD1      ILE  35   7.329  -7.280  -1.671
  247    H    VAL  36           H        VAL  36   2.949  -6.585  -6.471
  248    HA   VAL  36           HA       VAL  36   0.395  -6.493  -5.016
  249    HB   VAL  36           HB       VAL  36   1.779  -4.270  -5.625
  250   1HG1  VAL  36          1HG1      VAL  36   1.257  -5.027  -8.139
  251   2HG1  VAL  36          2HG1      VAL  36  -0.199  -4.088  -7.811
  252   3HG1  VAL  36          3HG1      VAL  36   1.388  -3.339  -7.647
  253   1HG2  VAL  36          1HG2      VAL  36  -0.311  -4.552  -4.291
  254   2HG2  VAL  36          2HG2      VAL  36  -0.223  -3.056  -5.214
  255   3HG2  VAL  36          3HG2      VAL  36  -1.222  -4.388  -5.792
  256    H    ALA  37           H        ALA  37   1.459  -8.505  -6.880
  257    HA   ALA  37           HA       ALA  37   0.781  -9.779  -8.638
  258   1HB   ALA  37          1HB       ALA  37  -1.360  -9.445  -7.173
  259   2HB   ALA  37          2HB       ALA  37  -1.916  -8.516  -8.565
  260   3HB   ALA  37          3HB       ALA  37  -1.467 -10.210  -8.759
  261    H    GLU  38           H        GLU  38  -0.622  -9.600 -10.814
  262    HA   GLU  38           HA       GLU  38   0.560  -7.339 -12.232
  263   1HB   GLU  38          1HB       GLU  38   0.723  -9.853 -12.907
  264   2HB   GLU  38          2HB       GLU  38  -0.884  -9.595 -13.571
  265   1HG   GLU  38          1HG       GLU  38   0.510  -9.227 -15.379
  266   2HG   GLU  38          2HG       GLU  38   0.162  -7.599 -14.798
  267    H    CYS  39           H        CYS  39  -2.526  -8.446 -11.146
  268    HA   CYS  39           HA       CYS  39  -4.200  -7.327 -13.069
  269   1HB   CYS  39          1HB       CYS  39  -5.815  -8.086 -11.716
  270   2HB   CYS  39          2HB       CYS  39  -4.551  -8.591 -10.606
  271    H    GLY  40           H        GLY  40  -2.338  -5.826 -10.557
  272   1HA   GLY  40          1HA       GLY  40  -2.272  -3.627  -9.804
  273   2HA   GLY  40          2HA       GLY  40  -2.073  -3.356 -11.527
  274    H    GLY  41           H        GLY  41  -4.725  -3.998  -9.218
  275   1HA   GLY  41          1HA       GLY  41  -6.475  -2.474  -8.763
  276   2HA   GLY  41          2HA       GLY  41  -6.083  -1.618 -10.244
  277    H    SER  42           H        SER  42  -6.042  -4.607 -11.352
  278    HA   SER  42           HA       SER  42  -8.521  -4.435 -12.657
  279   1HB   SER  42          1HB       SER  42  -6.263  -6.019 -12.916
  280   2HB   SER  42          2HB       SER  42  -7.511  -7.168 -12.436
  281    HG   SER  42           HG       SER  42  -7.764  -5.302 -14.561
  282    H    CYS  43           H        CYS  43  -7.810  -5.358  -9.497
  283    HA   CYS  43           HA       CYS  43  -9.034  -6.228  -7.798
  284   1HB   CYS  43          1HB       CYS  43 -11.242  -5.616  -7.695
  285   2HB   CYS  43          2HB       CYS  43 -10.725  -4.591  -9.026
  286    HG   CYS  43           HG       CYS  43 -12.428  -5.670 -10.399
  287    H    VAL  44           H        VAL  44  -8.192  -7.864 -10.276
  288    HA   VAL  44           HA       VAL  44 -10.001 -10.141 -10.005
  289    HB   VAL  44           HB       VAL  44  -9.030 -11.057 -11.940
  290   1HG1  VAL  44          1HG1      VAL  44  -9.244  -8.071 -12.121
  291   2HG1  VAL  44          2HG1      VAL  44  -8.918  -9.065 -13.541
  292   3HG1  VAL  44          3HG1      VAL  44 -10.408  -9.295 -12.627
  293   1HG2  VAL  44          1HG2      VAL  44  -6.658  -9.744 -11.004
  294   2HG2  VAL  44          2HG2      VAL  44  -6.821 -11.044 -12.184
  295   3HG2  VAL  44          3HG2      VAL  44  -6.926  -9.363 -12.704
  296    H    CYS  45           H        CYS  45  -7.398  -9.008  -8.378
  297    HA   CYS  45           HA       CYS  45  -6.608 -11.721  -7.581
  298   1HB   CYS  45          1HB       CYS  45  -4.373 -11.373  -7.847
  299   2HB   CYS  45          2HB       CYS  45  -4.941 -10.274  -9.095
  300    H    ALA  46           H        ALA  46  -4.974 -11.298  -5.546
  301    HA   ALA  46           HA       ALA  46  -5.931  -9.233  -3.777
  302   1HB   ALA  46          1HB       ALA  46  -7.507 -11.403  -3.806
  303   2HB   ALA  46          2HB       ALA  46  -6.324 -11.913  -2.601
  304   3HB   ALA  46          3HB       ALA  46  -7.236 -10.422  -2.366
  305    H    THR  47           H        THR  47  -3.424 -10.429  -4.960
  306    HA   THR  47           HA       THR  47  -1.995 -11.275  -2.559
  307    HB   THR  47           HB       THR  47  -0.371 -10.994  -4.951
  308    HG1  THR  47           HG1      THR  47  -2.412 -12.915  -5.175
  309   1HG2  THR  47          1HG2      THR  47  -0.855 -12.955  -2.851
  310   2HG2  THR  47          2HG2      THR  47  -0.549 -13.663  -4.437
  311   3HG2  THR  47          3HG2      THR  47   0.626 -12.559  -3.722
  312    H    CYS  48           H        CYS  48  -2.944  -8.438  -3.480
  313    HA   CYS  48           HA       CYS  48  -0.393  -7.031  -3.408
  314   1HB   CYS  48          1HB       CYS  48  -1.960  -4.994  -3.618
  315   2HB   CYS  48          2HB       CYS  48  -1.816  -6.072  -5.002
  316    H    ARG  49           H        ARG  49  -0.755  -8.352  -1.083
  317    HA   ARG  49           HA       ARG  49  -2.083  -6.768   0.894
  318   1HB   ARG  49          1HB       ARG  49  -0.163  -9.084   1.057
  319   2HB   ARG  49          2HB       ARG  49  -0.790  -8.279   2.489
  320   1HG   ARG  49          1HG       ARG  49  -2.494  -9.573   0.371
  321   2HG   ARG  49          2HG       ARG  49  -2.023 -10.332   1.893
  322   1HD   ARG  49          1HD       ARG  49  -3.271  -7.657   2.070
  323   2HD   ARG  49          2HD       ARG  49  -4.318  -8.985   1.571
  324    HE   ARG  49           HE       ARG  49  -3.344  -8.489   4.185
  325   1HH1  ARG  49          1HH1      ARG  49  -4.096 -11.065   1.965
  326   2HH1  ARG  49          2HH1      ARG  49  -4.422 -12.220   3.215
  327   1HH2  ARG  49          1HH2      ARG  49  -3.771 -10.002   5.837
  328   2HH2  ARG  49          2HH2      ARG  49  -4.237 -11.615   5.415
  329    H    ILE  50           H        ILE  50  -1.245  -4.697   0.755
  330    HA   ILE  50           HA       ILE  50   1.560  -4.404   1.613
  331    HB   ILE  50           HB       ILE  50   0.005  -2.240   0.220
  332   1HG1  ILE  50          1HG1      ILE  50   1.634  -4.460  -1.029
  333   2HG1  ILE  50          2HG1      ILE  50  -0.066  -4.095  -1.315
  334   1HG2  ILE  50          1HG2      ILE  50   2.252  -1.963   1.522
  335   2HG2  ILE  50          2HG2      ILE  50   2.954  -2.664   0.064
  336   3HG2  ILE  50          3HG2      ILE  50   2.026  -1.169  -0.036
  337   1HD1  ILE  50          1HD1      ILE  50   1.476  -1.779  -1.903
  338   2HD1  ILE  50          2HD1      ILE  50   2.185  -3.168  -2.727
  339   3HD1  ILE  50          3HD1      ILE  50   0.488  -2.763  -2.983
  340    H    GLU  51           H        GLU  51   2.025  -2.793   3.173
  341    HA   GLU  51           HA       GLU  51  -0.337  -1.855   4.664
  342   1HB   GLU  51          1HB       GLU  51   1.995  -3.409   5.552
  343   2HB   GLU  51          2HB       GLU  51   1.605  -2.036   6.578
  344   1HG   GLU  51          1HG       GLU  51  -0.770  -2.926   6.607
  345   2HG   GLU  51          2HG       GLU  51  -0.109  -4.402   5.906
  346    H    ILE  52           H        ILE  52  -0.462   0.275   4.814
  347    HA   ILE  52           HA       ILE  52   1.622   2.046   4.021
  348    HB   ILE  52           HB       ILE  52  -0.921   2.540   5.588
  349   1HG1  ILE  52          1HG1      ILE  52  -0.972   1.684   3.138
  350   2HG1  ILE  52          2HG1      ILE  52  -1.971   3.069   3.578
  351   1HG2  ILE  52          1HG2      ILE  52   0.892   4.250   5.910
  352   2HG2  ILE  52          2HG2      ILE  52   0.755   4.609   4.189
  353   3HG2  ILE  52          3HG2      ILE  52  -0.626   4.866   5.256
  354   1HD1  ILE  52          1HD1      ILE  52   0.736   3.237   2.302
  355   2HD1  ILE  52          2HD1      ILE  52  -0.802   3.364   1.448
  356   3HD1  ILE  52          3HD1      ILE  52  -0.359   4.578   2.649
  357    H    GLU  53           H        GLU  53   3.013   3.362   5.410
  358    HA   GLU  53           HA       GLU  53   3.754   2.044   7.778
  359   1HB   GLU  53          1HB       GLU  53   5.387   3.588   7.947
  360   2HB   GLU  53          2HB       GLU  53   4.780   4.178   6.415
  361   1HG   GLU  53          1HG       GLU  53   4.708   6.133   7.491
  362   2HG   GLU  53          2HG       GLU  53   3.191   5.504   8.105
  363    H    ASP  54           H        ASP  54   3.450   2.861  10.097
  364    HA   ASP  54           HA       ASP  54   0.636   3.195  10.518
  365   1HB   ASP  54          1HB       ASP  54   2.995   2.717  12.268
  366   2HB   ASP  54          2HB       ASP  54   1.524   3.334  13.013
  367    H    ALA  55           H        ALA  55   2.247   5.494   9.421
  368    HA   ALA  55           HA       ALA  55   1.444   7.543  11.362
  369   1HB   ALA  55          1HB       ALA  55   3.890   7.397  10.684
  370   2HB   ALA  55          2HB       ALA  55   3.367   7.923   9.081
  371   3HB   ALA  55          3HB       ALA  55   3.114   8.968  10.478
  372    H    TRP  56           H        TRP  56   1.130   6.262   8.186
  373    HA   TRP  56           HA       TRP  56  -0.460   8.561   7.340
  374   1HB   TRP  56          1HB       TRP  56   0.833   6.401   5.714
  375   2HB   TRP  56          2HB       TRP  56  -0.003   7.814   5.080
  376    HD1  TRP  56           HD1      TRP  56   2.913   7.042   7.423
  377    HE1  TRP  56           HE1      TRP  56   4.676   8.873   7.189
  378    HE3  TRP  56           HE3      TRP  56   0.448   9.993   4.067
  379    HZ2  TRP  56           HZ2      TRP  56   4.988  11.270   5.747
  380    HZ3  TRP  56           HZ3      TRP  56   1.597  12.031   3.283
  381    HH2  TRP  56           HH2      TRP  56   3.785  12.656   4.096
  382    H    VAL  57           H        VAL  57  -1.114   5.597   8.590
  383    HA   VAL  57           HA       VAL  57  -3.022   4.650   6.752
  384    HB   VAL  57           HB       VAL  57  -3.068   4.353   9.751
  385   1HG1  VAL  57          1HG1      VAL  57  -5.113   3.823   8.418
  386   2HG1  VAL  57          2HG1      VAL  57  -4.173   2.567   7.612
  387   3HG1  VAL  57          3HG1      VAL  57  -4.454   2.475   9.352
  388   1HG2  VAL  57          1HG2      VAL  57  -0.985   3.767   8.270
  389   2HG2  VAL  57          2HG2      VAL  57  -1.502   2.715   9.591
  390   3HG2  VAL  57          3HG2      VAL  57  -1.934   2.316   7.925
  391    H    GLU  58           H        GLU  58  -3.043   6.923   9.386
  392    HA   GLU  58           HA       GLU  58  -5.874   7.431   9.188
  393   1HB   GLU  58          1HB       GLU  58  -3.623   8.665  10.765
  394   2HB   GLU  58          2HB       GLU  58  -5.208   9.423  10.711
  395   1HG   GLU  58          1HG       GLU  58  -4.626   6.633  11.680
  396   2HG   GLU  58          2HG       GLU  58  -4.922   8.041  12.699
  397    H    ILE  59           H        ILE  59  -3.220   8.135   7.385
  398    HA   ILE  59           HA       ILE  59  -4.225  10.751   6.457
  399    HB   ILE  59           HB       ILE  59  -1.588   9.357   6.192
  400   1HG1  ILE  59          1HG1      ILE  59  -1.866  12.256   6.636
  401   2HG1  ILE  59          2HG1      ILE  59  -2.430  11.211   7.934
  402   1HG2  ILE  59          1HG2      ILE  59  -2.802  11.222   4.247
  403   2HG2  ILE  59          2HG2      ILE  59  -1.118  11.506   4.685
  404   3HG2  ILE  59          3HG2      ILE  59  -1.602   9.952   4.007
  405   1HD1  ILE  59          1HD1      ILE  59   0.167  10.459   6.880
  406   2HD1  ILE  59          2HD1      ILE  59   0.125  12.082   7.571
  407   3HD1  ILE  59          3HD1      ILE  59  -0.364  10.698   8.546
  408    H    VAL  60           H        VAL  60  -3.406   7.511   5.532
  409    HA   VAL  60           HA       VAL  60  -4.267   7.899   2.787
  410    HB   VAL  60           HB       VAL  60  -3.131   5.444   4.133
  411   1HG1  VAL  60          1HG1      VAL  60  -4.514   5.327   1.914
  412   2HG1  VAL  60          2HG1      VAL  60  -3.036   5.968   1.201
  413   3HG1  VAL  60          3HG1      VAL  60  -3.001   4.436   2.071
  414   1HG2  VAL  60          1HG2      VAL  60  -1.818   7.838   3.654
  415   2HG2  VAL  60          2HG2      VAL  60  -1.065   6.254   3.864
  416   3HG2  VAL  60          3HG2      VAL  60  -1.419   6.852   2.245
  417    H    GLY  61           H        GLY  61  -4.776   4.920   4.613
  418   1HA   GLY  61          1HA       GLY  61  -6.733   3.579   4.312
  419   2HA   GLY  61          2HA       GLY  61  -7.143   4.697   5.601
  420    H    GLU  62           H        GLU  62  -6.891   5.136   2.080
  421    HA   GLU  62           HA       GLU  62  -9.427   6.534   2.109
  422   1HB   GLU  62          1HB       GLU  62  -7.206   6.230   0.146
  423   2HB   GLU  62          2HB       GLU  62  -8.771   6.812  -0.398
  424   1HG   GLU  62          1HG       GLU  62  -7.742   8.161   1.985
  425   2HG   GLU  62          2HG       GLU  62  -6.751   8.368   0.542
  426    H    ALA  63           H        ALA  63  -8.285   3.420   1.279
  427    HA   ALA  63           HA       ALA  63  -9.879   2.659  -0.812
  428   1HB   ALA  63          1HB       ALA  63  -8.963   1.103   1.557
  429   2HB   ALA  63          2HB       ALA  63 -10.077   0.380   0.393
  430   3HB   ALA  63          3HB       ALA  63  -8.488   0.955  -0.135
  431    H    ASN  64           H        ASN  64 -11.943   1.880  -1.072
  432    HA   ASN  64           HA       ASN  64 -13.913   2.895   0.717
  433   1HB   ASN  64          1HB       ASN  64 -15.431   1.748  -1.048
  434   2HB   ASN  64          2HB       ASN  64 -14.461   3.111  -1.572
  435   1HD2  ASN  64          2HD2      ASN  64 -14.712   2.301  -3.707
  436   2HD2  ASN  64          1HD2      ASN  64 -13.721   1.002  -4.268
  437    HA   PRO  65           HA       PRO  65 -14.942  -0.838   2.824
  438   1HB   PRO  65          1HB       PRO  65 -17.737  -0.808   1.968
  439   2HB   PRO  65          2HB       PRO  65 -17.058  -0.447   3.558
  440   1HG   PRO  65          1HG       PRO  65 -18.157   1.461   1.981
  441   2HG   PRO  65          2HG       PRO  65 -16.815   1.797   3.092
  442   1HD   PRO  65          1HD       PRO  65 -16.742   1.316   0.130
  443   2HD   PRO  65          2HD       PRO  65 -15.861   2.530   1.081
  444    H    ASP  66           H        ASP  66 -14.699  -0.858  -0.393
  445    HA   ASP  66           HA       ASP  66 -15.975  -3.426  -0.900
  446   1HB   ASP  66          1HB       ASP  66 -14.436  -1.571  -2.732
  447   2HB   ASP  66          2HB       ASP  66 -15.237  -3.056  -3.236
  448    H    GLU  67           H        GLU  67 -12.752  -1.951  -1.123
  449    HA   GLU  67           HA       GLU  67 -11.379  -4.353  -1.680
  450   1HB   GLU  67          1HB       GLU  67 -10.083  -2.069  -0.232
  451   2HB   GLU  67          2HB       GLU  67  -9.411  -3.119  -1.473
  452   1HG   GLU  67          1HG       GLU  67 -11.135  -0.716  -1.747
  453   2HG   GLU  67          2HG       GLU  67  -9.698  -1.188  -2.651
  454    H    ASN  68           H        ASN  68 -12.480  -2.883   1.269
  455    HA   ASN  68           HA       ASN  68 -10.857  -4.568   2.969
  456   1HB   ASN  68          1HB       ASN  68 -11.376  -2.358   3.777
  457   2HB   ASN  68          2HB       ASN  68 -13.103  -2.636   3.574
  458   1HD2  ASN  68          2HD2      ASN  68 -10.535  -4.617   5.000
  459   2HD2  ASN  68          1HD2      ASN  68 -11.278  -4.769   6.552
  460    H    ASP  69           H        ASP  69 -14.088  -4.574   1.642
  461    HA   ASP  69           HA       ASP  69 -15.008  -6.702   3.369
  462   1HB   ASP  69          1HB       ASP  69 -16.188  -5.049   1.197
  463   2HB   ASP  69          2HB       ASP  69 -16.896  -6.639   1.470
  464    H    LEU  70           H        LEU  70 -14.186  -6.354  -0.076
  465    HA   LEU  70           HA       LEU  70 -14.680  -8.928  -0.936
  466   1HB   LEU  70          1HB       LEU  70 -14.066  -7.172  -2.477
  467   2HB   LEU  70          2HB       LEU  70 -12.475  -7.037  -1.754
  468    HG   LEU  70           HG       LEU  70 -12.744  -8.291  -4.006
  469   1HD1  LEU  70          1HD1      LEU  70 -10.831  -8.280  -2.120
  470   2HD1  LEU  70          2HD1      LEU  70 -11.236  -9.997  -2.134
  471   3HD1  LEU  70          3HD1      LEU  70 -10.720  -9.199  -3.621
  472   1HD2  LEU  70          1HD2      LEU  70 -14.545  -9.770  -2.620
  473   2HD2  LEU  70          2HD2      LEU  70 -13.694 -10.326  -4.061
  474   3HD2  LEU  70          3HD2      LEU  70 -13.095 -10.763  -2.461
  475    H    LEU  71           H        LEU  71 -11.944  -7.681   0.871
  476    HA   LEU  71           HA       LEU  71 -10.449 -10.139   0.696
  477   1HB   LEU  71          1HB       LEU  71  -9.917  -7.464   1.453
  478   2HB   LEU  71          2HB       LEU  71  -9.585  -8.464   2.855
  479    HG   LEU  71           HG       LEU  71  -8.270  -9.904   1.034
  480   1HD1  LEU  71          1HD1      LEU  71  -9.038  -7.765  -0.506
  481   2HD1  LEU  71          2HD1      LEU  71  -7.393  -7.341  -0.032
  482   3HD1  LEU  71          3HD1      LEU  71  -7.707  -8.867  -0.859
  483   1HD2  LEU  71          1HD2      LEU  71  -7.426  -8.857   3.144
  484   2HD2  LEU  71          2HD2      LEU  71  -6.261  -8.895   1.822
  485   3HD2  LEU  71          3HD2      LEU  71  -7.099  -7.394   2.214
  486    H    GLN  72           H        GLN  72 -12.301  -8.429   3.192
  487    HA   GLN  72           HA       GLN  72 -11.912 -10.165   5.316
  488   1HB   GLN  72          1HB       GLN  72 -13.921  -8.154   4.563
  489   2HB   GLN  72          2HB       GLN  72 -14.513  -9.389   5.665
  490   1HG   GLN  72          1HG       GLN  72 -13.347  -7.139   6.487
  491   2HG   GLN  72          2HG       GLN  72 -13.265  -8.652   7.386
  492   1HE2  GLN  72          2HE2      GLN  72 -11.559  -7.064   4.702
  493   2HE2  GLN  72          1HE2      GLN  72  -9.971  -7.440   5.267
  494    H    SER  73           H        SER  73 -13.886 -10.522   2.478
  495    HA   SER  73           HA       SER  73 -15.643 -12.521   3.332
  496   1HB   SER  73          1HB       SER  73 -15.110 -11.214   0.934
  497   2HB   SER  73          2HB       SER  73 -14.745 -12.904   0.586
  498    HG   SER  73           HG       SER  73 -17.121 -12.206   1.925
  499    H    THR  74           H        THR  74 -12.270 -12.601   2.725
  500    HA   THR  74           HA       THR  74 -12.105 -15.446   2.288
  501    HB   THR  74           HB       THR  74  -9.751 -15.137   2.157
  502    HG1  THR  74           HG1      THR  74  -9.144 -13.949   3.839
  503   1HG2  THR  74          1HG2      THR  74 -11.198 -13.956   0.382
  504   2HG2  THR  74          2HG2      THR  74 -10.657 -12.472   1.166
  505   3HG2  THR  74          3HG2      THR  74  -9.476 -13.585   0.474
  506    H    GLY  75           H        GLY  75 -11.714 -13.209   4.968
  507   1HA   GLY  75          1HA       GLY  75 -11.944 -13.693   7.234
  508   2HA   GLY  75          2HA       GLY  75 -11.960 -15.406   6.842
  509    H    GLU  76           H        GLU  76  -9.484 -13.099   5.861
  510    HA   GLU  76           HA       GLU  76  -7.494 -14.735   7.239
  511   1HB   GLU  76          1HB       GLU  76  -7.445 -12.815   4.965
  512   2HB   GLU  76          2HB       GLU  76  -5.979 -12.985   5.920
  513   1HG   GLU  76          1HG       GLU  76  -7.356 -15.421   4.896
  514   2HG   GLU  76          2HG       GLU  76  -6.358 -14.457   3.809
  515    HA   PRO  77           HA       PRO  77  -6.609 -12.002  10.555
  516   1HB   PRO  77          1HB       PRO  77  -3.854 -11.789  10.377
  517   2HB   PRO  77          2HB       PRO  77  -4.720 -13.117  11.156
  518   1HG   PRO  77          1HG       PRO  77  -3.529 -12.976   8.421
  519   2HG   PRO  77          2HG       PRO  77  -3.552 -14.328   9.568
  520   1HD   PRO  77          1HD       PRO  77  -5.210 -14.249   7.461
  521   2HD   PRO  77          2HD       PRO  77  -5.731 -14.913   9.024
  522    H    MET  78           H        MET  78  -6.004  -9.865  11.087
  523    HA   MET  78           HA       MET  78  -5.135  -8.154   8.869
  524   1HB   MET  78          1HB       MET  78  -7.741  -8.111  10.234
  525   2HB   MET  78          2HB       MET  78  -6.950  -6.545  10.134
  526   1HG   MET  78          1HG       MET  78  -6.804  -7.905   7.608
  527   2HG   MET  78          2HG       MET  78  -8.471  -7.815   8.171
  528   1HE   MET  78          1HE       MET  78  -7.734  -6.899   5.709
  529   2HE   MET  78          2HE       MET  78  -8.636  -5.385   5.621
  530   3HE   MET  78          3HE       MET  78  -6.879  -5.375   5.472
  531    H    THR  79           H        THR  79  -4.547  -5.932   9.643
  532    HA   THR  79           HA       THR  79  -3.769  -5.808  12.453
  533    HB   THR  79           HB       THR  79  -1.498  -5.623  12.122
  534    HG1  THR  79           HG1      THR  79  -1.581  -5.261   9.363
  535   1HG2  THR  79          1HG2      THR  79  -2.290  -7.882  11.319
  536   2HG2  THR  79          2HG2      THR  79  -2.066  -7.267   9.682
  537   3HG2  THR  79          3HG2      THR  79  -0.691  -7.368  10.781
  538    H    ALA  80           H        ALA  80  -2.103  -3.559  12.220
  539    HA   ALA  80           HA       ALA  80  -4.115  -1.518  11.712
  540   1HB   ALA  80          1HB       ALA  80  -1.573  -1.640  13.251
  541   2HB   ALA  80          2HB       ALA  80  -2.140  -0.068  12.685
  542   3HB   ALA  80          3HB       ALA  80  -3.163  -1.049  13.736
  543    H    GLY  81           H        GLY  81  -4.145  -0.253   9.975
  544   1HA   GLY  81          1HA       GLY  81  -3.271   1.083   8.275
  545   2HA   GLY  81          2HA       GLY  81  -1.686   0.394   8.565
  546    H    THR  82           H        THR  82  -3.198  -2.323   8.442
  547    HA   THR  82           HA       THR  82  -2.466  -2.985   5.822
  548    HB   THR  82           HB       THR  82  -4.620  -4.623   6.978
  549    HG1  THR  82           HG1      THR  82  -3.849  -4.203   8.933
  550   1HG2  THR  82          1HG2      THR  82  -2.121  -4.997   5.561
  551   2HG2  THR  82          2HG2      THR  82  -2.308  -6.108   6.918
  552   3HG2  THR  82          3HG2      THR  82  -3.540  -6.041   5.658
  553    H    ARG  83           H        ARG  83  -3.434  -2.709   3.914
  554    HA   ARG  83           HA       ARG  83  -6.273  -2.678   3.588
  555   1HB   ARG  83          1HB       ARG  83  -5.303  -0.299   4.462
  556   2HB   ARG  83          2HB       ARG  83  -5.151  -0.089   2.727
  557   1HG   ARG  83          1HG       ARG  83  -7.586  -0.754   2.565
  558   2HG   ARG  83          2HG       ARG  83  -7.644  -0.586   4.321
  559   1HD   ARG  83          1HD       ARG  83  -8.389   1.467   3.221
  560   2HD   ARG  83          2HD       ARG  83  -6.905   1.734   4.127
  561    HE   ARG  83           HE       ARG  83  -7.219   1.800   1.233
  562   1HH1  ARG  83          1HH1      ARG  83  -5.070   1.824   3.986
  563   2HH1  ARG  83          2HH1      ARG  83  -3.695   2.346   3.074
  564   1HH2  ARG  83          1HH2      ARG  83  -5.377   2.432   0.021
  565   2HH2  ARG  83          2HH2      ARG  83  -3.872   2.702   0.829
  566    H    LEU  84           H        LEU  84  -6.808  -1.892   1.250
  567    HA   LEU  84           HA       LEU  84  -5.119  -3.380  -0.526
  568   1HB   LEU  84          1HB       LEU  84  -7.765  -2.778  -0.518
  569   2HB   LEU  84          2HB       LEU  84  -7.174  -1.605  -1.681
  570    HG   LEU  84           HG       LEU  84  -5.970  -3.885  -2.571
  571   1HD1  LEU  84          1HD1      LEU  84  -7.521  -4.990  -0.749
  572   2HD1  LEU  84          2HD1      LEU  84  -8.732  -4.835  -2.023
  573   3HD1  LEU  84          3HD1      LEU  84  -7.255  -5.754  -2.316
  574   1HD2  LEU  84          1HD2      LEU  84  -8.634  -2.687  -3.296
  575   2HD2  LEU  84          2HD2      LEU  84  -7.062  -2.347  -4.021
  576   3HD2  LEU  84          3HD2      LEU  84  -7.823  -3.921  -4.260
  577    H    SER  85           H        SER  85  -3.213  -2.539  -1.084
  578    HA   SER  85           HA       SER  85  -2.661   0.234  -1.177
  579   1HB   SER  85          1HB       SER  85  -1.169  -2.141  -1.240
  580   2HB   SER  85          2HB       SER  85  -0.800  -1.314  -2.754
  581    HG   SER  85           HG       SER  85  -0.839   0.375  -0.614
  582    H    CYS  86           H        CYS  86  -3.692  -2.074  -3.604
  583    HA   CYS  86           HA       CYS  86  -3.170  -0.225  -5.775
  584   1HB   CYS  86          1HB       CYS  86  -3.681  -1.957  -7.238
  585   2HB   CYS  86          2HB       CYS  86  -3.009  -2.815  -5.858
  586    H    GLN  87           H        GLN  87  -5.068   0.607  -3.699
  587    HA   GLN  87           HA       GLN  87  -7.384   1.009  -5.462
  588   1HB   GLN  87          1HB       GLN  87  -7.964  -0.652  -3.751
  589   2HB   GLN  87          2HB       GLN  87  -7.523   0.491  -2.490
  590   1HG   GLN  87          1HG       GLN  87  -9.770   0.808  -2.520
  591   2HG   GLN  87          2HG       GLN  87  -9.293   2.006  -3.721
  592   1HE2  GLN  87          2HE2      GLN  87 -11.687   1.561  -4.146
  593   2HE2  GLN  87          1HE2      GLN  87 -12.030   0.365  -5.345
  594    H    VAL  88           H        VAL  88  -5.133   2.395  -3.187
  595    HA   VAL  88           HA       VAL  88  -6.676   4.890  -3.221
  596    HB   VAL  88           HB       VAL  88  -4.596   3.820  -1.348
  597   1HG1  VAL  88          1HG1      VAL  88  -3.999   6.138  -1.916
  598   2HG1  VAL  88          2HG1      VAL  88  -5.614   6.654  -1.429
  599   3HG1  VAL  88          3HG1      VAL  88  -4.511   5.965  -0.236
  600   1HG2  VAL  88          1HG2      VAL  88  -7.419   4.820  -1.067
  601   2HG2  VAL  88          2HG2      VAL  88  -6.835   3.167  -0.879
  602   3HG2  VAL  88          3HG2      VAL  88  -6.379   4.402   0.297
  603    H    PHE  89           H        PHE  89  -5.978   6.582  -4.313
  604    HA   PHE  89           HA       PHE  89  -3.280   6.489  -5.454
  605   1HB   PHE  89          1HB       PHE  89  -5.684   7.993  -6.472
  606   2HB   PHE  89          2HB       PHE  89  -4.134   7.816  -7.284
  607    HD1  PHE  89           HD1      PHE  89  -4.074   4.856  -6.075
  608    HD2  PHE  89           HD2      PHE  89  -6.677   7.069  -8.608
  609    HE1  PHE  89           HE1      PHE  89  -4.848   2.743  -7.112
  610    HE2  PHE  89           HE2      PHE  89  -7.465   4.975  -9.652
  611    HZ   PHE  89           HZ       PHE  89  -6.547   2.807  -8.904
  612    H    ILE  90           H        ILE  90  -1.887   8.013  -5.093
  613    HA   ILE  90           HA       ILE  90  -1.754   9.678  -3.031
  614    HB   ILE  90           HB       ILE  90  -0.664  10.052  -5.811
  615   1HG1  ILE  90          1HG1      ILE  90  -0.124   8.114  -4.030
  616   2HG1  ILE  90          2HG1      ILE  90   1.078   8.750  -5.149
  617   1HG2  ILE  90          1HG2      ILE  90  -0.099  11.608  -3.317
  618   2HG2  ILE  90          2HG2      ILE  90   1.081  11.435  -4.612
  619   3HG2  ILE  90          3HG2      ILE  90  -0.468  12.214  -4.927
  620   1HD1  ILE  90          1HD1      ILE  90   1.787  10.353  -3.361
  621   2HD1  ILE  90          2HD1      ILE  90   0.693   9.495  -2.266
  622   3HD1  ILE  90          3HD1      ILE  90   2.058   8.643  -2.983
  623    H    ASP  91           H        ASP  91  -1.838  12.014  -2.814
  624    HA   ASP  91           HA       ASP  91  -3.193  13.786  -4.467
  625   1HB   ASP  91          1HB       ASP  91  -5.407  13.604  -3.874
  626   2HB   ASP  91          2HB       ASP  91  -4.965  11.984  -3.362
  627    HA   PRO  92           HA       PRO  92  -1.410  16.455  -1.383
  628   1HB   PRO  92          1HB       PRO  92  -3.885  18.056  -1.120
  629   2HB   PRO  92          2HB       PRO  92  -2.288  18.548  -1.696
  630   1HG   PRO  92          1HG       PRO  92  -4.329  18.279  -3.400
  631   2HG   PRO  92          2HG       PRO  92  -2.687  17.787  -3.857
  632   1HD   PRO  92          1HD       PRO  92  -4.976  16.086  -2.928
  633   2HD   PRO  92          2HD       PRO  92  -3.845  15.800  -4.270
  634    H    SER  93           H        SER  93  -2.514  14.152  -0.383
  635    HA   SER  93           HA       SER  93  -3.247  14.903   2.338
  636   1HB   SER  93          1HB       SER  93  -5.205  13.740   2.323
  637   2HB   SER  93          2HB       SER  93  -5.107  13.927   0.565
  638    HG   SER  93           HG       SER  93  -4.370  11.711   2.155
  639    H    MET  94           H        MET  94  -2.068  12.529   0.040
  640    HA   MET  94           HA       MET  94  -0.647  11.077   2.154
  641   1HB   MET  94          1HB       MET  94  -1.753  10.205  -0.517
  642   2HB   MET  94          2HB       MET  94  -0.613   9.231   0.393
  643   1HG   MET  94          1HG       MET  94  -2.137   8.761   2.056
  644   2HG   MET  94          2HG       MET  94  -3.112  10.183   1.699
  645   1HE   MET  94          1HE       MET  94  -1.475   7.885  -0.593
  646   2HE   MET  94          2HE       MET  94  -2.480   6.439  -0.511
  647   3HE   MET  94          3HE       MET  94  -2.727   7.612  -1.803
  648    H    ASP  95           H        ASP  95   0.446  13.409   1.215
  649    HA   ASP  95           HA       ASP  95   2.291  12.772  -0.856
  650   1HB   ASP  95          1HB       ASP  95   2.404  15.354   0.625
  651   2HB   ASP  95          2HB       ASP  95   2.581  15.062  -1.091
  652    H    GLY  96           H        GLY  96   4.330  12.100  -0.462
  653   1HA   GLY  96          1HA       GLY  96   6.268  11.698   0.769
  654   2HA   GLY  96          2HA       GLY  96   5.662  12.819   1.982
  655    H    LEU  97           H        LEU  97   3.615  10.279   0.813
  656    HA   LEU  97           HA       LEU  97   3.406   9.296   3.461
  657   1HB   LEU  97          1HB       LEU  97   1.395   8.528   2.926
  658   2HB   LEU  97          2HB       LEU  97   1.602   9.475   1.477
  659    HG   LEU  97           HG       LEU  97   0.647   7.237   1.102
  660   1HD1  LEU  97          1HD1      LEU  97   2.655   8.544  -0.312
  661   2HD1  LEU  97          2HD1      LEU  97   3.025   6.819  -0.398
  662   3HD1  LEU  97          3HD1      LEU  97   1.450   7.415  -0.922
  663   1HD2  LEU  97          1HD2      LEU  97   2.286   6.235   2.909
  664   2HD2  LEU  97          2HD2      LEU  97   1.666   5.266   1.574
  665   3HD2  LEU  97          3HD2      LEU  97   3.289   5.946   1.487
  666    H    ILE  98           H        ILE  98   3.598   7.189   4.172
  667    HA   ILE  98           HA       ILE  98   5.890   5.880   2.913
  668    HB   ILE  98           HB       ILE  98   5.063   5.855   5.789
  669   1HG1  ILE  98          1HG1      ILE  98   7.100   7.177   6.158
  670   2HG1  ILE  98          2HG1      ILE  98   7.402   7.185   4.423
  671   1HG2  ILE  98          1HG2      ILE  98   6.272   3.801   4.738
  672   2HG2  ILE  98          2HG2      ILE  98   7.689   4.847   4.817
  673   3HG2  ILE  98          3HG2      ILE  98   6.806   4.450   6.289
  674   1HD1  ILE  98          1HD1      ILE  98   4.756   8.090   5.142
  675   2HD1  ILE  98          2HD1      ILE  98   6.040   9.099   5.801
  676   3HD1  ILE  98          3HD1      ILE  98   5.937   8.814   4.062
  677    H    VAL  99           H        VAL  99   5.892   3.796   2.428
  678    HA   VAL  99           HA       VAL  99   3.513   2.265   3.147
  679    HB   VAL  99           HB       VAL  99   4.947   1.415   0.754
  680   1HG1  VAL  99          1HG1      VAL  99   2.338   1.347   2.022
  681   2HG1  VAL  99          2HG1      VAL  99   2.264   1.610   0.271
  682   3HG1  VAL  99          3HG1      VAL  99   3.097   0.194   0.916
  683   1HG2  VAL  99          1HG2      VAL  99   3.295   3.944   0.803
  684   2HG2  VAL  99          2HG2      VAL  99   5.005   3.821   0.396
  685   3HG2  VAL  99          3HG2      VAL  99   3.794   3.092  -0.658
  686    H    ARG 100           H        ARG 100   3.809  -0.031   3.547
  687    HA   ARG 100           HA       ARG 100   6.581  -0.917   3.703
  688   1HB   ARG 100          1HB       ARG 100   4.909  -1.312   6.148
  689   2HB   ARG 100          2HB       ARG 100   6.659  -1.296   5.985
  690   1HG   ARG 100          1HG       ARG 100   6.465   1.173   5.490
  691   2HG   ARG 100          2HG       ARG 100   4.781   1.047   6.003
  692   1HD   ARG 100          1HD       ARG 100   5.428   1.274   8.111
  693   2HD   ARG 100          2HD       ARG 100   6.334  -0.228   7.977
  694    HE   ARG 100           HE       ARG 100   7.443   2.447   7.421
  695   1HH1  ARG 100          1HH1      ARG 100   7.879  -0.861   8.510
  696   2HH1  ARG 100          2HH1      ARG 100   9.540  -0.621   8.921
  697   1HH2  ARG 100          1HH2      ARG 100   9.620   2.734   7.966
  698   2HH2  ARG 100          2HH2      ARG 100  10.526   1.409   8.615
  699    H    VAL 101           H        VAL 101   6.859  -3.176   4.120
  700    HA   VAL 101           HA       VAL 101   4.479  -4.813   3.542
  701    HB   VAL 101           HB       VAL 101   7.244  -5.453   2.527
  702   1HG1  VAL 101          1HG1      VAL 101   5.543  -7.274   2.806
  703   2HG1  VAL 101          2HG1      VAL 101   4.581  -6.461   1.572
  704   3HG1  VAL 101          3HG1      VAL 101   6.184  -7.078   1.175
  705   1HG2  VAL 101          1HG2      VAL 101   5.754  -3.323   1.637
  706   2HG2  VAL 101          2HG2      VAL 101   7.007  -4.160   0.722
  707   3HG2  VAL 101          3HG2      VAL 101   5.315  -4.613   0.517
  708    HA   PRO 102           HA       PRO 102   5.900  -6.116   7.707
  709   1HB   PRO 102          1HB       PRO 102   3.626  -7.928   6.985
  710   2HB   PRO 102          2HB       PRO 102   4.019  -7.183   8.542
  711   1HG   PRO 102          1HG       PRO 102   2.138  -6.131   7.026
  712   2HG   PRO 102          2HG       PRO 102   3.296  -5.090   7.872
  713   1HD   PRO 102          1HD       PRO 102   3.129  -5.771   4.976
  714   2HD   PRO 102          2HD       PRO 102   3.702  -4.283   5.755
  715    H    LEU 103           H        LEU 103   5.912  -8.473   8.581
  716    HA   LEU 103           HA       LEU 103   6.745 -10.492   6.713
  717   1HB   LEU 103          1HB       LEU 103   9.001 -10.560   7.140
  718   2HB   LEU 103          2HB       LEU 103   8.696  -8.836   7.167
  719    HG   LEU 103           HG       LEU 103  10.151  -9.297   8.971
  720   1HD1  LEU 103          1HD1      LEU 103   7.321  -8.805   9.771
  721   2HD1  LEU 103          2HD1      LEU 103   8.589  -8.916  10.991
  722   3HD1  LEU 103          3HD1      LEU 103   8.686  -7.691   9.726
  723   1HD2  LEU 103          1HD2      LEU 103   9.124 -11.808   8.973
  724   2HD2  LEU 103          2HD2      LEU 103  10.170 -11.148  10.231
  725   3HD2  LEU 103          3HD2      LEU 103   8.420 -11.141  10.446
  726    HA   PRO 104           HA       PRO 104   5.454 -13.503   9.632
  727   1HB   PRO 104          1HB       PRO 104   7.966 -14.780  10.062
  728   2HB   PRO 104          2HB       PRO 104   6.670 -15.292   8.978
  729   1HG   PRO 104          1HG       PRO 104   9.145 -13.773   8.384
  730   2HG   PRO 104          2HG       PRO 104   8.207 -14.853   7.338
  731   1HD   PRO 104          1HD       PRO 104   8.164 -12.197   7.003
  732   2HD   PRO 104          2HD       PRO 104   6.706 -13.181   6.754
  733    H    ALA 105           H        ALA 105   5.115 -11.911  11.296
  734    HA   ALA 105           HA       ALA 105   6.973 -12.246  13.525
  735   1HB   ALA 105          1HB       ALA 105   6.255  -9.631  12.264
  736   2HB   ALA 105          2HB       ALA 105   6.607  -9.716  13.989
  737   3HB   ALA 105          3HB       ALA 105   7.825 -10.216  12.815
  Start of MODEL   13
    1   2H    PRO   1          2H        PRO   1   4.061  14.928  -5.079
    2   1H    PRO   1          1H        PRO   1   4.857  13.499  -5.288
    3    HA   PRO   1           HA       PRO   1   4.613  14.986  -3.082
    4   1HB   PRO   1          1HB       PRO   1   3.589  12.306  -2.368
    5   2HB   PRO   1          2HB       PRO   1   3.225  13.867  -1.668
    6   1HG   PRO   1          1HG       PRO   1   1.445  12.779  -3.161
    7   2HG   PRO   1          2HG       PRO   1   1.830  14.488  -3.417
    8   1HD   PRO   1          1HD       PRO   1   2.938  12.107  -4.909
    9   2HD   PRO   1          2HD       PRO   1   2.102  13.512  -5.582
   10    H    ARG   2           H        ARG   2   5.291  13.205  -1.203
   11    HA   ARG   2           HA       ARG   2   7.741  11.911  -2.270
   12   1HB   ARG   2          1HB       ARG   2   8.317  13.831  -0.880
   13   2HB   ARG   2          2HB       ARG   2   7.261  13.262   0.402
   14   1HG   ARG   2          1HG       ARG   2   8.940  12.141   1.300
   15   2HG   ARG   2          2HG       ARG   2   9.133  11.207  -0.182
   16   1HD   ARG   2          1HD       ARG   2  11.048  12.241  -0.609
   17   2HD   ARG   2          2HD       ARG   2  10.218  13.796  -0.613
   18    HE   ARG   2           HE       ARG   2  11.303  14.222   1.335
   19   1HH1  ARG   2          1HH1      ARG   2  10.744  10.791   1.141
   20   2HH1  ARG   2          2HH1      ARG   2  11.488  10.452   2.668
   21   1HH2  ARG   2          1HH2      ARG   2  12.288  13.787   3.345
   22   2HH2  ARG   2          2HH2      ARG   2  12.366  12.155   3.922
   23    H    VAL   3           H        VAL   3   8.358   9.827  -1.049
   24    HA   VAL   3           HA       VAL   3   6.214   8.824   0.612
   25    HB   VAL   3           HB       VAL   3   6.502   8.177  -2.221
   26   1HG1  VAL   3          1HG1      VAL   3   7.352   6.109  -0.970
   27   2HG1  VAL   3          2HG1      VAL   3   5.663   5.915  -0.503
   28   3HG1  VAL   3          3HG1      VAL   3   6.109   5.967  -2.219
   29   1HG2  VAL   3          1HG2      VAL   3   4.355   7.824  -0.184
   30   2HG2  VAL   3          2HG2      VAL   3   4.504   9.136  -1.365
   31   3HG2  VAL   3          3HG2      VAL   3   4.191   7.483  -1.907
   32    H    VAL   4           H        VAL   4   6.631   6.484   1.208
   33    HA   VAL   4           HA       VAL   4   9.383   5.685   1.093
   34    HB   VAL   4           HB       VAL   4   8.244   6.725   3.656
   35   1HG1  VAL   4          1HG1      VAL   4   9.837   4.305   3.307
   36   2HG1  VAL   4          2HG1      VAL   4  10.610   5.493   4.360
   37   3HG1  VAL   4          3HG1      VAL   4   8.990   4.903   4.738
   38   1HG2  VAL   4          1HG2      VAL   4  10.620   7.153   1.937
   39   2HG2  VAL   4          2HG2      VAL   4   9.609   8.331   2.780
   40   3HG2  VAL   4          3HG2      VAL   4  10.805   7.393   3.676
   41    H    PHE   5           H        PHE   5   9.205   3.740   0.542
   42    HA   PHE   5           HA       PHE   5   7.017   2.023   1.462
   43   1HB   PHE   5          1HB       PHE   5   9.194   1.794  -0.592
   44   2HB   PHE   5          2HB       PHE   5   8.222   0.411  -0.135
   45    HD1  PHE   5           HD1      PHE   5   6.785   3.848  -0.458
   46    HD2  PHE   5           HD2      PHE   5   7.390   0.032  -2.251
   47    HE1  PHE   5           HE1      PHE   5   5.220   4.421  -2.244
   48    HE2  PHE   5           HE2      PHE   5   5.812   0.581  -3.995
   49    HZ   PHE   5           HZ       PHE   5   4.695   2.773  -4.009
   50    H    ILE   6           H        ILE   6   7.796  -0.322   1.873
   51    HA   ILE   6           HA       ILE   6  10.332  -0.581   3.202
   52    HB   ILE   6           HB       ILE   6   7.907  -1.402   4.726
   53   1HG1  ILE   6          1HG1      ILE   6   7.839   1.083   4.092
   54   2HG1  ILE   6          2HG1      ILE   6   7.730   0.699   5.806
   55   1HG2  ILE   6          1HG2      ILE   6  10.761  -1.301   5.041
   56   2HG2  ILE   6          2HG2      ILE   6   9.924  -0.540   6.393
   57   3HG2  ILE   6          3HG2      ILE   6   9.558  -2.208   5.954
   58   1HD1  ILE   6          1HD1      ILE   6  10.395   1.232   4.636
   59   2HD1  ILE   6          2HD1      ILE   6   9.303   2.589   4.903
   60   3HD1  ILE   6          3HD1      ILE   6   9.784   1.565   6.257
   61    H    ASP   7           H        ASP   7  10.842  -2.816   3.702
   62    HA   ASP   7           HA       ASP   7   9.102  -4.952   3.092
   63   1HB   ASP   7          1HB       ASP   7   9.891  -3.847   0.798
   64   2HB   ASP   7          2HB       ASP   7  11.277  -4.899   1.072
   65    H    GLU   8           H        GLU   8  10.275  -7.056   3.054
   66    HA   GLU   8           HA       GLU   8  12.229  -7.073   5.153
   67   1HB   GLU   8          1HB       GLU   8  10.267  -8.757   4.562
   68   2HB   GLU   8          2HB       GLU   8  11.545  -9.546   3.647
   69   1HG   GLU   8          1HG       GLU   8  12.340  -8.811   6.350
   70   2HG   GLU   8          2HG       GLU   8  10.984  -9.934   6.288
   71    H    GLN   9           H        GLN   9  12.482  -6.759   1.832
   72    HA   GLN   9           HA       GLN   9  14.958  -8.269   1.598
   73   1HB   GLN   9          1HB       GLN   9  13.886  -6.454  -0.532
   74   2HB   GLN   9          2HB       GLN   9  14.830  -7.923  -0.707
   75   1HG   GLN   9          1HG       GLN   9  12.265  -8.379   0.578
   76   2HG   GLN   9          2HG       GLN   9  12.116  -7.690  -1.038
   77   1HE2  GLN   9          2HE2      GLN   9  12.161 -10.495   0.582
   78   2HE2  GLN   9          1HE2      GLN   9  12.768 -11.553  -0.643
   79    H    SER  10           H        SER  10  13.861  -4.968   1.895
   80    HA   SER  10           HA       SER  10  16.669  -4.121   2.119
   81   1HB   SER  10          1HB       SER  10  15.279  -3.418  -0.029
   82   2HB   SER  10          2HB       SER  10  14.655  -2.183   1.066
   83    HG   SER  10           HG       SER  10  17.340  -2.400   1.277
   84    H    GLY  11           H        GLY  11  13.765  -4.463   3.658
   85   1HA   GLY  11          1HA       GLY  11  12.875  -3.611   5.596
   86   2HA   GLY  11          2HA       GLY  11  14.525  -3.176   5.996
   87    H    GLU  12           H        GLU  12  13.303  -1.823   3.140
   88    HA   GLU  12           HA       GLU  12  11.818   0.335   3.857
   89   1HB   GLU  12          1HB       GLU  12  13.303   1.247   5.385
   90   2HB   GLU  12          2HB       GLU  12  14.718   0.774   4.453
   91   1HG   GLU  12          1HG       GLU  12  14.214   2.482   2.794
   92   2HG   GLU  12          2HG       GLU  12  12.772   2.943   3.694
   93    H    TYR  13           H        TYR  13  11.416   1.681   2.184
   94    HA   TYR  13           HA       TYR  13  13.128   1.590  -0.159
   95   1HB   TYR  13          1HB       TYR  13  10.330   0.540  -0.017
   96   2HB   TYR  13          2HB       TYR  13  11.037   1.066  -1.543
   97    HD1  TYR  13           HD1      TYR  13  11.453  -1.258   1.298
   98    HD2  TYR  13           HD2      TYR  13  12.499  -0.329  -2.711
   99    HE1  TYR  13           HE1      TYR  13  12.527  -3.471   1.081
  100    HE2  TYR  13           HE2      TYR  13  13.558  -2.518  -2.966
  101    HH   TYR  13           HH       TYR  13  13.063  -5.016  -1.318
  102    H    ALA  14           H        ALA  14  13.175   3.780   1.069
  103    HA   ALA  14           HA       ALA  14  11.118   5.624   0.993
  104   1HB   ALA  14          1HB       ALA  14  14.094   5.933   0.846
  105   2HB   ALA  14          2HB       ALA  14  13.024   7.334   0.783
  106   3HB   ALA  14          3HB       ALA  14  13.005   6.273   2.193
  107    H    VAL  15           H        VAL  15  10.153   6.814  -0.501
  108    HA   VAL  15           HA       VAL  15  11.358   7.288  -3.076
  109    HB   VAL  15           HB       VAL  15  10.308   4.983  -3.109
  110   1HG1  VAL  15          1HG1      VAL  15   7.790   6.613  -3.007
  111   2HG1  VAL  15          2HG1      VAL  15   7.869   5.019  -3.784
  112   3HG1  VAL  15          3HG1      VAL  15   8.238   5.180  -2.073
  113   1HG2  VAL  15          1HG2      VAL  15  10.372   7.064  -5.062
  114   2HG2  VAL  15          2HG2      VAL  15  10.623   5.338  -5.273
  115   3HG2  VAL  15          3HG2      VAL  15   8.990   5.998  -5.348
  116    H    ASP  16           H        ASP  16   8.935   7.788  -4.359
  117    HA   ASP  16           HA       ASP  16   7.491   9.761  -2.892
  118   1HB   ASP  16          1HB       ASP  16   8.773  10.622  -5.418
  119   2HB   ASP  16          2HB       ASP  16   8.134  11.613  -4.117
  120    H    ALA  17           H        ALA  17   5.794  10.623  -4.241
  121    HA   ALA  17           HA       ALA  17   5.223   8.993  -6.594
  122   1HB   ALA  17          1HB       ALA  17   4.305   8.344  -4.174
  123   2HB   ALA  17          2HB       ALA  17   3.012   9.453  -4.731
  124   3HB   ALA  17          3HB       ALA  17   3.431   8.012  -5.687
  125    H    GLN  18           H        GLN  18   2.923   9.782  -7.408
  126    HA   GLN  18           HA       GLN  18   2.801  12.716  -7.305
  127   1HB   GLN  18          1HB       GLN  18   2.483  11.176  -9.881
  128   2HB   GLN  18          2HB       GLN  18   2.632  12.915  -9.674
  129   1HG   GLN  18          1HG       GLN  18   4.939  12.688  -9.027
  130   2HG   GLN  18          2HG       GLN  18   4.812  10.931  -9.073
  131   1HE2  GLN  18          2HE2      GLN  18   6.463  12.950 -10.570
  132   2HE2  GLN  18          1HE2      GLN  18   6.240  12.540 -12.233
  133    H    ASP  19           H        ASP  19   0.782  13.396  -6.883
  134    HA   ASP  19           HA       ASP  19  -1.289  11.850  -6.186
  135   1HB   ASP  19          1HB       ASP  19  -2.280  14.146  -7.695
  136   2HB   ASP  19          2HB       ASP  19  -2.542  13.711  -6.026
  137    H    GLY  20           H        GLY  20  -2.230  10.244  -7.056
  138   1HA   GLY  20          1HA       GLY  20  -3.884   9.617  -8.804
  139   2HA   GLY  20          2HA       GLY  20  -2.741  10.291  -9.961
  140    H    GLN  21           H        GLN  21  -0.849   8.929  -7.652
  141    HA   GLN  21           HA       GLN  21  -0.816   6.326  -9.048
  142   1HB   GLN  21          1HB       GLN  21   1.499   7.848  -7.837
  143   2HB   GLN  21          2HB       GLN  21   1.608   6.248  -8.555
  144   1HG   GLN  21          1HG       GLN  21   1.397   7.045 -10.696
  145   2HG   GLN  21          2HG       GLN  21   0.544   8.496 -10.181
  146   1HE2  GLN  21          2HE2      GLN  21   3.273   7.745  -8.314
  147   2HE2  GLN  21          1HE2      GLN  21   4.351   8.894  -9.002
  148    H    SER  22           H        SER  22  -0.282   4.484  -7.785
  149    HA   SER  22           HA       SER  22  -1.046   4.840  -4.990
  150   1HB   SER  22          1HB       SER  22  -1.582   2.473  -4.981
  151   2HB   SER  22          2HB       SER  22  -2.332   3.224  -6.389
  152    HG   SER  22           HG       SER  22  -1.360   1.611  -7.362
  153    H    LEU  23           H        LEU  23  -0.047   2.779  -3.683
  154    HA   LEU  23           HA       LEU  23   2.815   3.372  -3.636
  155   1HB   LEU  23          1HB       LEU  23   1.071   1.766  -1.764
  156   2HB   LEU  23          2HB       LEU  23   2.788   2.036  -1.535
  157    HG   LEU  23           HG       LEU  23   1.999   3.686  -0.188
  158   1HD1  LEU  23          1HD1      LEU  23   1.924   4.952  -2.919
  159   2HD1  LEU  23          2HD1      LEU  23   1.889   5.858  -1.406
  160   3HD1  LEU  23          3HD1      LEU  23   3.293   4.871  -1.810
  161   1HD2  LEU  23          1HD2      LEU  23  -0.396   3.003  -0.851
  162   2HD2  LEU  23          2HD2      LEU  23  -0.124   4.632  -0.231
  163   3HD2  LEU  23          3HD2      LEU  23  -0.314   4.368  -1.964
  164    H    MET  24           H        MET  24   1.086   1.383  -5.424
  165    HA   MET  24           HA       MET  24   2.800  -0.968  -5.106
  166   1HB   MET  24          1HB       MET  24   0.817  -1.976  -5.478
  167   2HB   MET  24          2HB       MET  24   0.088  -0.498  -6.083
  168   1HG   MET  24          1HG       MET  24   0.010  -2.212  -7.771
  169   2HG   MET  24          2HG       MET  24   1.090  -0.917  -8.282
  170   1HE   MET  24          1HE       MET  24   3.060  -1.362  -9.443
  171   2HE   MET  24          2HE       MET  24   3.822  -2.940  -9.644
  172   3HE   MET  24          3HE       MET  24   2.167  -2.683 -10.197
  173    H    GLU  25           H        GLU  25   2.008   1.653  -7.257
  174    HA   GLU  25           HA       GLU  25   3.736   0.681  -9.360
  175   1HB   GLU  25          1HB       GLU  25   2.607   3.457  -9.272
  176   2HB   GLU  25          2HB       GLU  25   2.952   2.449 -10.671
  177   1HG   GLU  25          1HG       GLU  25   1.074   0.933  -9.653
  178   2HG   GLU  25          2HG       GLU  25   0.600   2.430  -8.851
  179    H    VAL  26           H        VAL  26   3.882   3.195  -6.838
  180    HA   VAL  26           HA       VAL  26   6.174   4.455  -7.738
  181    HB   VAL  26           HB       VAL  26   6.379   3.824  -4.877
  182   1HG1  VAL  26          1HG1      VAL  26   7.599   5.500  -6.279
  183   2HG1  VAL  26          2HG1      VAL  26   6.111   6.429  -6.320
  184   3HG1  VAL  26          3HG1      VAL  26   6.907   6.114  -4.786
  185   1HG2  VAL  26          1HG2      VAL  26   3.905   3.890  -5.209
  186   2HG2  VAL  26          2HG2      VAL  26   4.598   5.084  -4.111
  187   3HG2  VAL  26          3HG2      VAL  26   4.117   5.564  -5.739
  188    H    ALA  27           H        ALA  27   5.883   1.720  -5.599
  189    HA   ALA  27           HA       ALA  27   8.237   0.792  -5.034
  190   1HB   ALA  27          1HB       ALA  27   5.772  -0.469  -5.528
  191   2HB   ALA  27          2HB       ALA  27   7.016  -1.451  -6.303
  192   3HB   ALA  27          3HB       ALA  27   7.129  -1.079  -4.579
  193    H    THR  28           H        THR  28   6.918  -0.543  -8.010
  194    HA   THR  28           HA       THR  28   9.249  -1.509  -9.051
  195    HB   THR  28           HB       THR  28   8.067  -1.981 -10.916
  196    HG1  THR  28           HG1      THR  28   7.244   0.719 -10.896
  197   1HG2  THR  28          1HG2      THR  28   6.370  -2.084  -8.969
  198   2HG2  THR  28          2HG2      THR  28   5.641  -0.696  -9.775
  199   3HG2  THR  28          3HG2      THR  28   5.808  -2.227 -10.635
  200    H    GLN  29           H        GLN  29   8.102   1.768  -8.986
  201    HA   GLN  29           HA       GLN  29  10.106   2.737 -10.819
  202   1HB   GLN  29          1HB       GLN  29   8.397   4.311  -8.890
  203   2HB   GLN  29          2HB       GLN  29   9.318   4.965 -10.235
  204   1HG   GLN  29          1HG       GLN  29   7.753   3.090 -11.462
  205   2HG   GLN  29          2HG       GLN  29   6.692   3.706 -10.196
  206   1HE2  GLN  29          2HE2      GLN  29   5.385   4.569 -11.889
  207   2HE2  GLN  29          1HE2      GLN  29   5.820   6.054 -12.656
  208    H    ASN  30           H        ASN  30   9.778   2.330  -7.388
  209    HA   ASN  30           HA       ASN  30  12.200   3.816  -6.790
  210   1HB   ASN  30          1HB       ASN  30  11.057   2.157  -4.659
  211   2HB   ASN  30          2HB       ASN  30  11.428   3.863  -4.653
  212   1HD2  ASN  30          2HD2      ASN  30   9.030   2.323  -3.753
  213   2HD2  ASN  30          1HD2      ASN  30   7.712   3.025  -4.552
  214    H    GLY  31           H        GLY  31  11.745   0.915  -8.131
  215   1HA   GLY  31          1HA       GLY  31  13.260  -0.825  -8.449
  216   2HA   GLY  31          2HA       GLY  31  14.293  -0.107  -7.218
  217    H    VAL  32           H        VAL  32  11.362  -0.154  -5.875
  218    HA   VAL  32           HA       VAL  32  11.814  -1.959  -3.881
  219    HB   VAL  32           HB       VAL  32   9.108  -1.347  -4.998
  220   1HG1  VAL  32          1HG1      VAL  32   9.304  -2.919  -3.045
  221   2HG1  VAL  32          2HG1      VAL  32   9.873  -1.523  -2.118
  222   3HG1  VAL  32          3HG1      VAL  32   8.254  -1.510  -2.836
  223   1HG2  VAL  32          1HG2      VAL  32  11.001   0.407  -3.521
  224   2HG2  VAL  32          2HG2      VAL  32  10.035   0.761  -4.957
  225   3HG2  VAL  32          3HG2      VAL  32   9.254   0.630  -3.379
  226    HA   PRO  33           HA       PRO  33  11.595  -6.160  -5.039
  227   1HB   PRO  33          1HB       PRO  33   9.193  -6.420  -3.368
  228   2HB   PRO  33          2HB       PRO  33  10.764  -7.204  -3.195
  229   1HG   PRO  33          1HG       PRO  33   9.765  -4.869  -1.818
  230   2HG   PRO  33          2HG       PRO  33  11.295  -5.712  -1.567
  231   1HD   PRO  33          1HD       PRO  33  11.074  -3.188  -2.591
  232   2HD   PRO  33          2HD       PRO  33  12.438  -4.264  -2.898
  233    H    GLY  34           H        GLY  34   8.731  -4.169  -5.119
  234   1HA   GLY  34          1HA       GLY  34   6.917  -4.122  -6.530
  235   2HA   GLY  34          2HA       GLY  34   8.009  -4.808  -7.726
  236    H    ILE  35           H        ILE  35   7.381  -6.466  -4.767
  237    HA   ILE  35           HA       ILE  35   6.440  -8.783  -6.149
  238    HB   ILE  35           HB       ILE  35   6.512  -8.156  -3.194
  239   1HG1  ILE  35          1HG1      ILE  35   8.720  -8.260  -4.293
  240   2HG1  ILE  35          2HG1      ILE  35   8.488  -9.595  -3.169
  241   1HG2  ILE  35          1HG2      ILE  35   5.397 -10.415  -4.687
  242   2HG2  ILE  35          2HG2      ILE  35   6.505 -10.872  -3.392
  243   3HG2  ILE  35          3HG2      ILE  35   5.091  -9.881  -3.034
  244   1HD1  ILE  35          1HD1      ILE  35   7.683 -10.840  -5.338
  245   2HD1  ILE  35          2HD1      ILE  35   8.668  -9.613  -6.132
  246   3HD1  ILE  35          3HD1      ILE  35   9.396 -10.694  -4.943
  247    H    VAL  36           H        VAL  36   4.704  -7.089  -7.058
  248    HA   VAL  36           HA       VAL  36   2.191  -7.943  -5.916
  249    HB   VAL  36           HB       VAL  36   1.675  -5.230  -6.269
  250   1HG1  VAL  36          1HG1      VAL  36   1.612  -7.212  -4.160
  251   2HG1  VAL  36          2HG1      VAL  36   1.927  -5.593  -3.535
  252   3HG1  VAL  36          3HG1      VAL  36   0.489  -5.899  -4.509
  253   1HG2  VAL  36          1HG2      VAL  36   4.290  -5.131  -6.062
  254   2HG2  VAL  36          2HG2      VAL  36   3.276  -3.952  -5.230
  255   3HG2  VAL  36          3HG2      VAL  36   3.948  -5.320  -4.342
  256    H    ALA  37           H        ALA  37   0.468  -6.265  -7.240
  257    HA   ALA  37           HA       ALA  37  -0.491  -5.825  -9.260
  258   1HB   ALA  37          1HB       ALA  37   1.705  -4.657  -9.670
  259   2HB   ALA  37          2HB       ALA  37   2.235  -6.118 -10.503
  260   3HB   ALA  37          3HB       ALA  37   0.853  -5.208 -11.113
  261    H    GLU  38           H        GLU  38  -1.188  -8.142  -8.615
  262    HA   GLU  38           HA       GLU  38  -0.201 -10.196 -10.419
  263   1HB   GLU  38          1HB       GLU  38  -0.647 -10.854  -8.134
  264   2HB   GLU  38          2HB       GLU  38  -2.298 -10.258  -8.244
  265   1HG   GLU  38          1HG       GLU  38  -1.954 -12.762  -8.417
  266   2HG   GLU  38          2HG       GLU  38  -2.956 -12.002  -9.654
  267    H    CYS  39           H        CYS  39  -2.700  -7.875 -10.307
  268    HA   CYS  39           HA       CYS  39  -4.085  -9.238 -12.524
  269   1HB   CYS  39          1HB       CYS  39  -6.159  -8.275 -11.831
  270   2HB   CYS  39          2HB       CYS  39  -5.431  -9.016 -10.411
  271    H    GLY  40           H        GLY  40  -2.729  -6.263 -11.299
  272   1HA   GLY  40          1HA       GLY  40  -1.763  -4.643 -12.750
  273   2HA   GLY  40          2HA       GLY  40  -2.865  -5.164 -14.016
  274    H    GLY  41           H        GLY  41  -3.135  -3.876 -10.696
  275   1HA   GLY  41          1HA       GLY  41  -4.705  -2.412  -9.824
  276   2HA   GLY  41          2HA       GLY  41  -4.119  -1.406 -11.140
  277    H    SER  42           H        SER  42  -6.191  -4.307 -10.998
  278    HA   SER  42           HA       SER  42  -8.217  -2.788 -12.507
  279   1HB   SER  42          1HB       SER  42  -6.898  -5.049 -13.365
  280   2HB   SER  42          2HB       SER  42  -8.393  -5.709 -12.704
  281    HG   SER  42           HG       SER  42  -8.881  -3.499 -14.179
  282    H    CYS  43           H        CYS  43  -7.545  -4.046  -9.553
  283    HA   CYS  43           HA       CYS  43  -8.776  -4.559  -7.714
  284   1HB   CYS  43          1HB       CYS  43 -10.107  -2.512  -8.958
  285   2HB   CYS  43          2HB       CYS  43 -11.370  -3.729  -8.813
  286    HG   CYS  43           HG       CYS  43 -10.667  -1.952  -6.648
  287    H    VAL  44           H        VAL  44  -8.319  -6.715  -9.180
  288    HA   VAL  44           HA       VAL  44 -10.853  -8.199  -9.030
  289    HB   VAL  44           HB       VAL  44 -10.107  -7.675 -11.417
  290   1HG1  VAL  44          1HG1      VAL  44  -7.672  -8.299 -10.737
  291   2HG1  VAL  44          2HG1      VAL  44  -8.194  -9.945 -11.094
  292   3HG1  VAL  44          3HG1      VAL  44  -8.267  -8.705 -12.347
  293   1HG2  VAL  44          1HG2      VAL  44 -11.722  -9.459 -10.735
  294   2HG2  VAL  44          2HG2      VAL  44 -10.850  -9.796 -12.230
  295   3HG2  VAL  44          3HG2      VAL  44 -10.376 -10.598 -10.733
  296    H    CYS  45           H        CYS  45  -7.833  -7.861  -7.805
  297    HA   CYS  45           HA       CYS  45  -7.789 -10.657  -6.932
  298   1HB   CYS  45          1HB       CYS  45  -5.612 -11.064  -7.523
  299   2HB   CYS  45          2HB       CYS  45  -6.072  -9.983  -8.831
  300    H    ALA  46           H        ALA  46  -6.160 -10.929  -5.082
  301    HA   ALA  46           HA       ALA  46  -6.135  -8.535  -3.373
  302   1HB   ALA  46          1HB       ALA  46  -7.668 -10.903  -2.965
  303   2HB   ALA  46          2HB       ALA  46  -6.441 -10.795  -1.703
  304   3HB   ALA  46          3HB       ALA  46  -7.567  -9.461  -1.953
  305    H    THR  47           H        THR  47  -4.238 -10.501  -4.991
  306    HA   THR  47           HA       THR  47  -2.418 -11.512  -3.065
  307    HB   THR  47           HB       THR  47  -2.130 -10.929  -6.013
  308    HG1  THR  47           HG1      THR  47  -3.416 -12.651  -5.776
  309   1HG2  THR  47          1HG2      THR  47   0.084 -10.887  -4.885
  310   2HG2  THR  47          2HG2      THR  47  -0.222 -12.534  -4.335
  311   3HG2  THR  47          3HG2      THR  47  -0.111 -12.185  -6.061
  312    H    CYS  48           H        CYS  48  -3.053  -8.384  -4.145
  313    HA   CYS  48           HA       CYS  48  -0.364  -7.373  -3.733
  314   1HB   CYS  48          1HB       CYS  48  -1.456  -5.149  -4.181
  315   2HB   CYS  48          2HB       CYS  48  -1.604  -6.318  -5.488
  316    H    ARG  49           H        ARG  49  -1.274  -8.634  -1.469
  317    HA   ARG  49           HA       ARG  49  -2.571  -6.962   0.385
  318   1HB   ARG  49          1HB       ARG  49  -1.310  -9.546   0.391
  319   2HB   ARG  49          2HB       ARG  49  -0.823  -8.644   1.818
  320   1HG   ARG  49          1HG       ARG  49  -3.701  -8.617   1.153
  321   2HG   ARG  49          2HG       ARG  49  -3.024 -10.143   1.723
  322   1HD   ARG  49          1HD       ARG  49  -2.064  -7.974   3.340
  323   2HD   ARG  49          2HD       ARG  49  -3.825  -7.931   3.259
  324    HE   ARG  49           HE       ARG  49  -2.181  -9.961   4.508
  325   1HH1  ARG  49          1HH1      ARG  49  -5.331  -9.073   3.315
  326   2HH1  ARG  49          2HH1      ARG  49  -6.168 -10.253   4.268
  327   1HH2  ARG  49          1HH2      ARG  49  -3.272 -11.517   5.768
  328   2HH2  ARG  49          2HH2      ARG  49  -4.996 -11.642   5.665
  329    H    ILE  50           H        ILE  50  -1.495  -4.921  -0.048
  330    HA   ILE  50           HA       ILE  50   1.211  -4.677   1.049
  331    HB   ILE  50           HB       ILE  50  -0.415  -2.496  -0.250
  332   1HG1  ILE  50          1HG1      ILE  50   1.324  -4.628  -1.464
  333   2HG1  ILE  50          2HG1      ILE  50  -0.278  -4.095  -1.966
  334   1HG2  ILE  50          1HG2      ILE  50   2.490  -2.840   0.434
  335   2HG2  ILE  50          2HG2      ILE  50   1.927  -1.627  -0.716
  336   3HG2  ILE  50          3HG2      ILE  50   1.382  -1.574   0.959
  337   1HD1  ILE  50          1HD1      ILE  50   0.879  -1.866  -2.520
  338   2HD1  ILE  50          2HD1      ILE  50   2.372  -2.799  -2.435
  339   3HD1  ILE  50          3HD1      ILE  50   1.122  -3.241  -3.597
  340    H    GLU  51           H        GLU  51   1.597  -2.701   2.470
  341    HA   GLU  51           HA       GLU  51  -0.762  -2.046   4.076
  342   1HB   GLU  51          1HB       GLU  51   1.606  -3.586   4.970
  343   2HB   GLU  51          2HB       GLU  51   0.973  -2.384   6.085
  344   1HG   GLU  51          1HG       GLU  51  -1.313  -3.539   5.555
  345   2HG   GLU  51          2HG       GLU  51  -0.280  -4.888   5.083
  346    H    ILE  52           H        ILE  52  -0.892   0.054   4.327
  347    HA   ILE  52           HA       ILE  52   1.254   1.873   3.816
  348    HB   ILE  52           HB       ILE  52  -1.423   2.301   5.176
  349   1HG1  ILE  52          1HG1      ILE  52  -1.311   1.461   2.739
  350   2HG1  ILE  52          2HG1      ILE  52  -2.320   2.861   3.093
  351   1HG2  ILE  52          1HG2      ILE  52   0.807   4.061   4.879
  352   2HG2  ILE  52          2HG2      ILE  52  -0.541   4.664   3.920
  353   3HG2  ILE  52          3HG2      ILE  52  -0.757   4.362   5.641
  354   1HD1  ILE  52          1HD1      ILE  52   0.506   3.149   2.163
  355   2HD1  ILE  52          2HD1      ILE  52  -0.842   2.964   1.036
  356   3HD1  ILE  52          3HD1      ILE  52  -0.804   4.339   2.141
  357    H    GLU  53           H        GLU  53   2.435   3.174   5.459
  358    HA   GLU  53           HA       GLU  53   3.051   1.663   7.770
  359   1HB   GLU  53          1HB       GLU  53   4.217   3.570   8.616
  360   2HB   GLU  53          2HB       GLU  53   4.402   3.593   6.865
  361   1HG   GLU  53          1HG       GLU  53   2.710   5.294   8.600
  362   2HG   GLU  53          2HG       GLU  53   3.900   5.776   7.426
  363    H    ASP  54           H        ASP  54   2.672   2.863  10.124
  364    HA   ASP  54           HA       ASP  54  -0.239   2.863  10.344
  365   1HB   ASP  54          1HB       ASP  54   1.730   2.882  12.633
  366   2HB   ASP  54          2HB       ASP  54   0.033   2.415  12.679
  367    H    ALA  55           H        ALA  55   1.325   5.143   9.365
  368    HA   ALA  55           HA       ALA  55   0.488   7.190  11.307
  369   1HB   ALA  55          1HB       ALA  55   2.943   6.824   9.894
  370   2HB   ALA  55          2HB       ALA  55   2.188   8.321   9.344
  371   3HB   ALA  55          3HB       ALA  55   2.521   8.076  11.062
  372    H    TRP  56           H        TRP  56   0.430   6.061   8.043
  373    HA   TRP  56           HA       TRP  56  -1.185   8.339   7.209
  374   1HB   TRP  56          1HB       TRP  56   0.272   6.278   5.606
  375   2HB   TRP  56          2HB       TRP  56  -0.552   7.677   4.960
  376    HD1  TRP  56           HD1      TRP  56   2.165   7.012   7.614
  377    HE1  TRP  56           HE1      TRP  56   3.915   8.835   7.447
  378    HE3  TRP  56           HE3      TRP  56  -0.012   9.833   3.884
  379    HZ2  TRP  56           HZ2      TRP  56   4.352  11.151   5.991
  380    HZ3  TRP  56           HZ3      TRP  56   1.231  11.850   3.176
  381    HH2  TRP  56           HH2      TRP  56   3.341  12.474   4.207
  382    H    VAL  57           H        VAL  57  -1.883   5.341   8.307
  383    HA   VAL  57           HA       VAL  57  -3.585   4.418   6.262
  384    HB   VAL  57           HB       VAL  57  -3.904   4.026   9.236
  385   1HG1  VAL  57          1HG1      VAL  57  -5.007   2.723   6.791
  386   2HG1  VAL  57          2HG1      VAL  57  -4.953   1.879   8.341
  387   3HG1  VAL  57          3HG1      VAL  57  -5.867   3.382   8.177
  388   1HG2  VAL  57          1HG2      VAL  57  -1.681   3.523   8.009
  389   2HG2  VAL  57          2HG2      VAL  57  -2.351   2.341   9.137
  390   3HG2  VAL  57          3HG2      VAL  57  -2.557   2.120   7.397
  391    H    GLU  58           H        GLU  58  -3.895   6.576   8.984
  392    HA   GLU  58           HA       GLU  58  -6.699   7.075   8.544
  393   1HB   GLU  58          1HB       GLU  58  -4.725   8.630  10.237
  394   2HB   GLU  58          2HB       GLU  58  -6.477   8.765  10.299
  395   1HG   GLU  58          1HG       GLU  58  -5.481   6.051  10.718
  396   2HG   GLU  58          2HG       GLU  58  -4.953   7.213  11.934
  397    H    ILE  59           H        ILE  59  -3.903   7.868   7.013
  398    HA   ILE  59           HA       ILE  59  -4.809  10.524   6.104
  399    HB   ILE  59           HB       ILE  59  -2.196   9.068   5.929
  400   1HG1  ILE  59          1HG1      ILE  59  -2.435  11.968   6.421
  401   2HG1  ILE  59          2HG1      ILE  59  -3.070  10.905   7.670
  402   1HG2  ILE  59          1HG2      ILE  59  -3.191  11.166   4.050
  403   2HG2  ILE  59          2HG2      ILE  59  -1.479  11.081   4.463
  404   3HG2  ILE  59          3HG2      ILE  59  -2.274   9.700   3.706
  405   1HD1  ILE  59          1HD1      ILE  59  -0.428  10.167   6.690
  406   2HD1  ILE  59          2HD1      ILE  59  -0.503  11.746   7.475
  407   3HD1  ILE  59          3HD1      ILE  59  -1.038  10.305   8.338
  408    H    VAL  60           H        VAL  60  -3.971   7.313   5.110
  409    HA   VAL  60           HA       VAL  60  -4.727   7.767   2.350
  410    HB   VAL  60           HB       VAL  60  -3.649   5.311   3.744
  411   1HG1  VAL  60          1HG1      VAL  60  -5.009   5.244   1.444
  412   2HG1  VAL  60          2HG1      VAL  60  -3.407   5.635   0.818
  413   3HG1  VAL  60          3HG1      VAL  60  -3.643   4.183   1.787
  414   1HG2  VAL  60          1HG2      VAL  60  -2.331   7.723   3.045
  415   2HG2  VAL  60          2HG2      VAL  60  -1.617   6.205   3.597
  416   3HG2  VAL  60          3HG2      VAL  60  -1.827   6.497   1.875
  417    H    GLY  61           H        GLY  61  -5.335   4.837   4.234
  418   1HA   GLY  61          1HA       GLY  61  -7.272   3.477   3.908
  419   2HA   GLY  61          2HA       GLY  61  -7.725   4.646   5.134
  420    H    GLU  62           H        GLU  62  -7.403   4.860   1.588
  421    HA   GLU  62           HA       GLU  62  -9.798   6.424   1.416
  422   1HB   GLU  62          1HB       GLU  62  -8.030   5.230  -0.711
  423   2HB   GLU  62          2HB       GLU  62  -9.375   6.315  -1.038
  424   1HG   GLU  62          1HG       GLU  62  -7.906   7.696   0.829
  425   2HG   GLU  62          2HG       GLU  62  -6.674   6.903  -0.149
  426    H    ALA  63           H        ALA  63  -9.089   3.101   1.310
  427    HA   ALA  63           HA       ALA  63 -10.894   2.026  -0.436
  428   1HB   ALA  63          1HB       ALA  63 -10.033   1.040   2.243
  429   2HB   ALA  63          2HB       ALA  63 -11.159   0.127   1.235
  430   3HB   ALA  63          3HB       ALA  63  -9.526   0.485   0.649
  431    H    ASN  64           H        ASN  64 -12.984   1.145  -0.207
  432    HA   ASN  64           HA       ASN  64 -14.763   2.742   1.404
  433   1HB   ASN  64          1HB       ASN  64 -16.362   1.022  -0.013
  434   2HB   ASN  64          2HB       ASN  64 -15.889   2.618  -0.575
  435   1HD2  ASN  64          2HD2      ASN  64 -16.624   1.009  -2.460
  436   2HD2  ASN  64          1HD2      ASN  64 -15.293   0.356  -3.348
  437    HA   PRO  65           HA       PRO  65 -15.726  -0.348   4.383
  438   1HB   PRO  65          1HB       PRO  65 -18.425  -0.807   4.014
  439   2HB   PRO  65          2HB       PRO  65 -17.751   0.563   4.903
  440   1HG   PRO  65          1HG       PRO  65 -18.731   0.433   2.079
  441   2HG   PRO  65          2HG       PRO  65 -18.950   1.716   3.283
  442   1HD   PRO  65          1HD       PRO  65 -17.121   1.938   1.321
  443   2HD   PRO  65          2HD       PRO  65 -16.807   2.562   2.949
  444    H    ASP  66           H        ASP  66 -15.842  -1.077   1.113
  445    HA   ASP  66           HA       ASP  66 -16.763  -3.815   1.456
  446   1HB   ASP  66          1HB       ASP  66 -15.653  -2.696  -1.100
  447   2HB   ASP  66          2HB       ASP  66 -16.858  -3.960  -0.876
  448    H    GLU  67           H        GLU  67 -13.921  -2.293  -0.067
  449    HA   GLU  67           HA       GLU  67 -12.271  -4.408  -0.363
  450   1HB   GLU  67          1HB       GLU  67 -11.151  -1.909   0.866
  451   2HB   GLU  67          2HB       GLU  67 -10.458  -2.932  -0.384
  452   1HG   GLU  67          1HG       GLU  67 -12.468  -2.157  -1.806
  453   2HG   GLU  67          2HG       GLU  67 -12.602  -0.865  -0.614
  454    H    ASN  68           H        ASN  68 -12.764  -2.621   2.660
  455    HA   ASN  68           HA       ASN  68 -10.962  -4.248   4.165
  456   1HB   ASN  68          1HB       ASN  68 -11.754  -1.843   4.673
  457   2HB   ASN  68          2HB       ASN  68 -13.185  -2.608   5.360
  458   1HD2  ASN  68          2HD2      ASN  68 -12.602  -4.486   6.883
  459   2HD2  ASN  68          1HD2      ASN  68 -11.364  -4.143   8.038
  460    H    ASP  69           H        ASP  69 -14.368  -4.345   3.411
  461    HA   ASP  69           HA       ASP  69 -15.025  -6.301   5.405
  462   1HB   ASP  69          1HB       ASP  69 -16.766  -4.821   4.648
  463   2HB   ASP  69          2HB       ASP  69 -16.518  -5.305   2.973
  464    H    LEU  70           H        LEU  70 -14.203  -6.357   1.978
  465    HA   LEU  70           HA       LEU  70 -14.850  -9.032   1.444
  466   1HB   LEU  70          1HB       LEU  70 -13.865  -8.716  -0.582
  467   2HB   LEU  70          2HB       LEU  70 -14.054  -7.040  -0.103
  468    HG   LEU  70           HG       LEU  70 -11.622  -7.379   0.870
  469   1HD1  LEU  70          1HD1      LEU  70 -11.977  -9.875  -0.139
  470   2HD1  LEU  70          2HD1      LEU  70 -11.153  -9.072  -1.475
  471   3HD1  LEU  70          3HD1      LEU  70 -10.410  -9.109   0.123
  472   1HD2  LEU  70          1HD2      LEU  70 -12.730  -6.286  -1.471
  473   2HD2  LEU  70          2HD2      LEU  70 -11.185  -5.893  -0.717
  474   3HD2  LEU  70          3HD2      LEU  70 -11.267  -7.140  -1.961
  475    H    LEU  71           H        LEU  71 -11.987  -7.567   2.860
  476    HA   LEU  71           HA       LEU  71 -10.523 -10.059   2.878
  477   1HB   LEU  71          1HB       LEU  71  -9.962  -7.311   3.969
  478   2HB   LEU  71          2HB       LEU  71  -8.905  -8.673   4.289
  479    HG   LEU  71           HG       LEU  71  -9.569  -8.088   1.449
  480   1HD1  LEU  71          1HD1      LEU  71  -8.456  -6.123   3.211
  481   2HD1  LEU  71          2HD1      LEU  71  -7.243  -6.633   2.037
  482   3HD1  LEU  71          3HD1      LEU  71  -8.798  -6.010   1.485
  483   1HD2  LEU  71          1HD2      LEU  71  -7.617  -9.577   2.984
  484   2HD2  LEU  71          2HD2      LEU  71  -8.053  -9.709   1.281
  485   3HD2  LEU  71          3HD2      LEU  71  -6.853  -8.523   1.793
  486    H    GLN  72           H        GLN  72 -12.382  -8.104   5.124
  487    HA   GLN  72           HA       GLN  72 -11.636  -9.422   7.499
  488   1HB   GLN  72          1HB       GLN  72 -13.827  -7.611   6.657
  489   2HB   GLN  72          2HB       GLN  72 -14.124  -8.581   8.093
  490   1HG   GLN  72          1HG       GLN  72 -11.537  -7.160   7.955
  491   2HG   GLN  72          2HG       GLN  72 -12.984  -6.175   8.164
  492   1HE2  GLN  72          2HE2      GLN  72 -11.396  -9.064   9.455
  493   2HE2  GLN  72          1HE2      GLN  72 -11.867  -8.804  11.097
  494    H    SER  73           H        SER  73 -13.857 -10.249   4.963
  495    HA   SER  73           HA       SER  73 -15.499 -12.065   6.334
  496   1HB   SER  73          1HB       SER  73 -15.297 -11.138   3.725
  497   2HB   SER  73          2HB       SER  73 -14.935 -12.858   3.583
  498    HG   SER  73           HG       SER  73 -17.302 -11.690   3.923
  499    H    THR  74           H        THR  74 -12.311 -12.411   4.907
  500    HA   THR  74           HA       THR  74 -12.120 -15.200   4.887
  501    HB   THR  74           HB       THR  74  -9.701 -14.876   4.871
  502    HG1  THR  74           HG1      THR  74 -10.371 -12.268   5.724
  503   1HG2  THR  74          1HG2      THR  74 -11.097 -12.720   3.305
  504   2HG2  THR  74          2HG2      THR  74  -9.449 -13.286   3.032
  505   3HG2  THR  74          3HG2      THR  74 -10.810 -14.380   2.781
  506    H    GLY  75           H        GLY  75 -11.664 -12.869   7.479
  507   1HA   GLY  75          1HA       GLY  75 -11.865 -13.283   9.765
  508   2HA   GLY  75          2HA       GLY  75 -11.878 -15.007   9.428
  509    H    GLU  76           H        GLU  76  -9.360 -13.243   7.937
  510    HA   GLU  76           HA       GLU  76  -7.420 -14.540   9.676
  511   1HB   GLU  76          1HB       GLU  76  -7.395 -13.379   6.950
  512   2HB   GLU  76          2HB       GLU  76  -5.893 -13.266   7.858
  513   1HG   GLU  76          1HG       GLU  76  -6.941 -15.905   8.117
  514   2HG   GLU  76          2HG       GLU  76  -6.901 -15.459   6.412
  515    HA   PRO  77           HA       PRO  77  -6.133 -11.012  11.961
  516   1HB   PRO  77          1HB       PRO  77  -3.411 -11.141  11.836
  517   2HB   PRO  77          2HB       PRO  77  -4.392 -12.222  12.832
  518   1HG   PRO  77          1HG       PRO  77  -3.195 -12.702  10.130
  519   2HG   PRO  77          2HG       PRO  77  -3.259 -13.785  11.534
  520   1HD   PRO  77          1HD       PRO  77  -4.960 -14.033   9.456
  521   2HD   PRO  77          2HD       PRO  77  -5.453 -14.390  11.124
  522    H    MET  78           H        MET  78  -6.337  -8.967  11.338
  523    HA   MET  78           HA       MET  78  -4.590  -7.950   9.205
  524   1HB   MET  78          1HB       MET  78  -7.578  -7.705   9.405
  525   2HB   MET  78          2HB       MET  78  -6.632  -6.483   8.566
  526   1HG   MET  78          1HG       MET  78  -5.887  -8.022   6.950
  527   2HG   MET  78          2HG       MET  78  -6.444  -9.400   7.897
  528   1HE   MET  78          1HE       MET  78  -8.019  -6.050   7.353
  529   2HE   MET  78          2HE       MET  78  -7.950  -6.270   5.605
  530   3HE   MET  78          3HE       MET  78  -9.500  -6.346   6.443
  531    H    THR  79           H        THR  79  -4.183  -5.678   9.296
  532    HA   THR  79           HA       THR  79  -4.695  -4.508  11.952
  533    HB   THR  79           HB       THR  79  -2.547  -3.435  11.862
  534    HG1  THR  79           HG1      THR  79  -2.557  -3.089   9.566
  535   1HG2  THR  79          1HG2      THR  79  -2.786  -6.213  11.923
  536   2HG2  THR  79          2HG2      THR  79  -1.404  -5.873  10.881
  537   3HG2  THR  79          3HG2      THR  79  -1.448  -5.233  12.523
  538    H    ALA  80           H        ALA  80  -3.912  -1.964  11.605
  539    HA   ALA  80           HA       ALA  80  -6.013  -0.910   9.924
  540   1HB   ALA  80          1HB       ALA  80  -4.108   0.314  11.893
  541   2HB   ALA  80          2HB       ALA  80  -5.136   1.306  10.859
  542   3HB   ALA  80          3HB       ALA  80  -5.864   0.169  11.994
  543    H    GLY  81           H        GLY  81  -5.705  -0.514   7.837
  544   1HA   GLY  81          1HA       GLY  81  -4.514   1.028   6.302
  545   2HA   GLY  81          2HA       GLY  81  -3.027   0.394   6.984
  546    H    THR  82           H        THR  82  -4.092  -2.364   7.028
  547    HA   THR  82           HA       THR  82  -3.091  -3.283   4.608
  548    HB   THR  82           HB       THR  82  -5.185  -4.978   5.792
  549    HG1  THR  82           HG1      THR  82  -3.022  -4.026   7.354
  550   1HG2  THR  82          1HG2      THR  82  -2.277  -5.283   5.155
  551   2HG2  THR  82          2HG2      THR  82  -3.158  -6.488   6.094
  552   3HG2  THR  82          3HG2      THR  82  -3.662  -6.114   4.445
  553    H    ARG  83           H        ARG  83  -3.878  -2.562   2.702
  554    HA   ARG  83           HA       ARG  83  -6.553  -3.353   1.951
  555   1HB   ARG  83          1HB       ARG  83  -5.785  -0.435   1.801
  556   2HB   ARG  83          2HB       ARG  83  -7.304  -1.147   1.274
  557   1HG   ARG  83          1HG       ARG  83  -7.679  -1.845   3.657
  558   2HG   ARG  83          2HG       ARG  83  -6.286  -0.852   4.085
  559   1HD   ARG  83          1HD       ARG  83  -8.995  -0.057   3.204
  560   2HD   ARG  83          2HD       ARG  83  -7.936   0.685   4.396
  561    HE   ARG  83           HE       ARG  83  -8.212   1.483   1.710
  562   1HH1  ARG  83          1HH1      ARG  83  -5.749   0.922   4.112
  563   2HH1  ARG  83          2HH1      ARG  83  -4.641   2.064   3.427
  564   1HH2  ARG  83          1HH2      ARG  83  -6.769   2.991   0.811
  565   2HH2  ARG  83          2HH2      ARG  83  -5.223   3.241   1.549
  566    H    LEU  84           H        LEU  84  -6.987  -2.774  -0.384
  567    HA   LEU  84           HA       LEU  84  -4.908  -3.743  -1.994
  568   1HB   LEU  84          1HB       LEU  84  -7.468  -2.301  -2.644
  569   2HB   LEU  84          2HB       LEU  84  -6.370  -2.857  -3.892
  570    HG   LEU  84           HG       LEU  84  -6.631  -5.174  -2.698
  571   1HD1  LEU  84          1HD1      LEU  84  -8.887  -3.554  -1.608
  572   2HD1  LEU  84          2HD1      LEU  84  -9.122  -5.268  -1.948
  573   3HD1  LEU  84          3HD1      LEU  84  -7.877  -4.759  -0.809
  574   1HD2  LEU  84          1HD2      LEU  84  -7.462  -4.304  -4.997
  575   2HD2  LEU  84          2HD2      LEU  84  -8.161  -5.777  -4.323
  576   3HD2  LEU  84          3HD2      LEU  84  -9.039  -4.251  -4.209
  577    H    SER  85           H        SER  85  -3.184  -2.290  -1.225
  578    HA   SER  85           HA       SER  85  -2.949   0.392  -1.466
  579   1HB   SER  85          1HB       SER  85  -1.067  -0.797  -0.660
  580   2HB   SER  85          2HB       SER  85  -0.945  -1.758  -2.134
  581    HG   SER  85           HG       SER  85   0.155  -0.209  -3.043
  582    H    CYS  86           H        CYS  86  -2.725  -1.939  -4.114
  583    HA   CYS  86           HA       CYS  86  -1.980  -0.181  -6.151
  584   1HB   CYS  86          1HB       CYS  86  -2.429  -1.913  -7.625
  585   2HB   CYS  86          2HB       CYS  86  -2.203  -2.789  -6.116
  586    H    GLN  87           H        GLN  87  -4.864  -0.295  -4.397
  587    HA   GLN  87           HA       GLN  87  -6.411   0.949  -6.547
  588   1HB   GLN  87          1HB       GLN  87  -7.142  -0.380  -3.964
  589   2HB   GLN  87          2HB       GLN  87  -8.275   0.714  -4.745
  590   1HG   GLN  87          1HG       GLN  87  -7.054  -1.686  -6.084
  591   2HG   GLN  87          2HG       GLN  87  -8.621  -1.688  -5.278
  592   1HE2  GLN  87          2HE2      GLN  87  -7.705  -2.031  -8.138
  593   2HE2  GLN  87          1HE2      GLN  87  -8.707  -0.946  -9.034
  594    H    VAL  88           H        VAL  88  -4.397   1.987  -4.129
  595    HA   VAL  88           HA       VAL  88  -6.024   4.368  -3.588
  596    HB   VAL  88           HB       VAL  88  -3.691   3.165  -2.111
  597   1HG1  VAL  88          1HG1      VAL  88  -4.252   5.878  -2.368
  598   2HG1  VAL  88          2HG1      VAL  88  -4.888   5.419  -0.790
  599   3HG1  VAL  88          3HG1      VAL  88  -3.198   5.110  -1.184
  600   1HG2  VAL  88          1HG2      VAL  88  -6.181   2.404  -1.874
  601   2HG2  VAL  88          2HG2      VAL  88  -5.168   2.610  -0.445
  602   3HG2  VAL  88          3HG2      VAL  88  -6.322   3.866  -0.896
  603    H    PHE  89           H        PHE  89  -5.495   6.158  -4.673
  604    HA   PHE  89           HA       PHE  89  -2.782   6.350  -5.778
  605   1HB   PHE  89          1HB       PHE  89  -5.280   7.727  -6.743
  606   2HB   PHE  89          2HB       PHE  89  -3.705   7.755  -7.526
  607    HD1  PHE  89           HD1      PHE  89  -3.466   4.710  -6.499
  608    HD2  PHE  89           HD2      PHE  89  -6.086   6.911  -9.021
  609    HE1  PHE  89           HE1      PHE  89  -4.044   2.626  -7.697
  610    HE2  PHE  89           HE2      PHE  89  -6.671   4.845 -10.241
  611    HZ   PHE  89           HZ       PHE  89  -5.647   2.696  -9.579
  612    H    ILE  90           H        ILE  90  -1.559   8.065  -5.510
  613    HA   ILE  90           HA       ILE  90  -1.629   9.601  -3.268
  614    HB   ILE  90           HB       ILE  90  -0.313  10.088  -5.932
  615   1HG1  ILE  90          1HG1      ILE  90   0.108   8.094  -4.171
  616   2HG1  ILE  90          2HG1      ILE  90   1.381   8.778  -5.177
  617   1HG2  ILE  90          1HG2      ILE  90  -0.024  11.554  -3.341
  618   2HG2  ILE  90          2HG2      ILE  90   1.304  11.426  -4.494
  619   3HG2  ILE  90          3HG2      ILE  90  -0.199  12.215  -4.961
  620   1HD1  ILE  90          1HD1      ILE  90   1.955  10.324  -3.301
  621   2HD1  ILE  90          2HD1      ILE  90   0.760   9.463  -2.320
  622   3HD1  ILE  90          3HD1      ILE  90   2.173   8.605  -2.927
  623    H    ASP  91           H        ASP  91  -2.254  11.604  -2.724
  624    HA   ASP  91           HA       ASP  91  -3.461  13.495  -4.470
  625   1HB   ASP  91          1HB       ASP  91  -5.518  13.483  -2.885
  626   2HB   ASP  91          2HB       ASP  91  -5.412  12.186  -4.065
  627    HA   PRO  92           HA       PRO  92  -1.314  16.245  -1.752
  628   1HB   PRO  92          1HB       PRO  92  -4.099  17.311  -1.315
  629   2HB   PRO  92          2HB       PRO  92  -2.584  18.207  -1.507
  630   1HG   PRO  92          1HG       PRO  92  -4.212  17.903  -3.593
  631   2HG   PRO  92          2HG       PRO  92  -2.459  17.766  -3.801
  632   1HD   PRO  92          1HD       PRO  92  -4.530  15.675  -3.872
  633   2HD   PRO  92          2HD       PRO  92  -2.927  15.679  -4.618
  634    H    SER  93           H        SER  93  -4.203  14.581  -0.816
  635    HA   SER  93           HA       SER  93  -3.828  14.688   2.027
  636   1HB   SER  93          1HB       SER  93  -5.514  12.594   1.449
  637   2HB   SER  93          2HB       SER  93  -6.022  14.258   1.716
  638    HG   SER  93           HG       SER  93  -6.646  14.275  -0.279
  639    H    MET  94           H        MET  94  -1.630  13.494   0.294
  640    HA   MET  94           HA       MET  94  -1.018  11.244   1.899
  641   1HB   MET  94          1HB       MET  94  -2.376  10.901  -0.691
  642   2HB   MET  94          2HB       MET  94  -0.942   9.910  -0.477
  643   1HG   MET  94          1HG       MET  94  -2.011   9.313   1.794
  644   2HG   MET  94          2HG       MET  94  -3.486   9.910   1.073
  645   1HE   MET  94          1HE       MET  94  -4.948   8.805   0.208
  646   2HE   MET  94          2HE       MET  94  -4.840   7.597  -1.073
  647   3HE   MET  94          3HE       MET  94  -4.912   7.089   0.614
  648    H    ASP  95           H        ASP  95   0.308  13.606   1.298
  649    HA   ASP  95           HA       ASP  95   2.334  12.926  -0.615
  650   1HB   ASP  95          1HB       ASP  95   1.607  15.477   0.785
  651   2HB   ASP  95          2HB       ASP  95   3.141  15.320  -0.054
  652    H    GLY  96           H        GLY  96   4.233  12.123  -0.059
  653   1HA   GLY  96          1HA       GLY  96   6.144  11.774   1.259
  654   2HA   GLY  96          2HA       GLY  96   5.405  12.750   2.524
  655    H    LEU  97           H        LEU  97   3.844  10.139   0.867
  656    HA   LEU  97           HA       LEU  97   2.921   8.886   3.199
  657   1HB   LEU  97          1HB       LEU  97   2.492   8.700   0.442
  658   2HB   LEU  97          2HB       LEU  97   2.990   7.099   0.950
  659    HG   LEU  97           HG       LEU  97   1.164   7.649   2.859
  660   1HD1  LEU  97          1HD1      LEU  97   0.866   9.750   1.133
  661   2HD1  LEU  97          2HD1      LEU  97  -0.387   8.621   0.613
  662   3HD1  LEU  97          3HD1      LEU  97  -0.338   9.172   2.283
  663   1HD2  LEU  97          1HD2      LEU  97   1.345   6.040   0.507
  664   2HD2  LEU  97          2HD2      LEU  97   0.424   5.745   1.982
  665   3HD2  LEU  97          3HD2      LEU  97  -0.303   6.654   0.656
  666    H    ILE  98           H        ILE  98   3.290   6.874   4.032
  667    HA   ILE  98           HA       ILE  98   5.916   5.730   3.450
  668    HB   ILE  98           HB       ILE  98   4.643   5.800   6.124
  669   1HG1  ILE  98          1HG1      ILE  98   6.474   7.319   6.750
  670   2HG1  ILE  98          2HG1      ILE  98   7.002   7.322   5.064
  671   1HG2  ILE  98          1HG2      ILE  98   6.328   3.911   5.252
  672   2HG2  ILE  98          2HG2      ILE  98   7.470   5.100   5.880
  673   3HG2  ILE  98          3HG2      ILE  98   6.221   4.436   6.933
  674   1HD1  ILE  98          1HD1      ILE  98   4.191   7.915   5.377
  675   2HD1  ILE  98          2HD1      ILE  98   5.244   9.085   6.192
  676   3HD1  ILE  98          3HD1      ILE  98   5.440   8.765   4.473
  677    H    VAL  99           H        VAL  99   5.762   3.726   2.637
  678    HA   VAL  99           HA       VAL  99   3.333   2.268   3.216
  679    HB   VAL  99           HB       VAL  99   5.105   1.150   1.210
  680   1HG1  VAL  99          1HG1      VAL  99   2.289   1.387   1.946
  681   2HG1  VAL  99          2HG1      VAL  99   2.596   1.485   0.206
  682   3HG1  VAL  99          3HG1      VAL  99   3.143   0.079   1.115
  683   1HG2  VAL  99          1HG2      VAL  99   3.675   3.782   0.830
  684   2HG2  VAL  99          2HG2      VAL  99   5.414   3.510   0.729
  685   3HG2  VAL  99          3HG2      VAL  99   4.339   2.798  -0.475
  686    H    ARG 100           H        ARG 100   3.825  -0.261   2.804
  687    HA   ARG 100           HA       ARG 100   6.149  -1.278   4.120
  688   1HB   ARG 100          1HB       ARG 100   3.705  -0.744   5.671
  689   2HB   ARG 100          2HB       ARG 100   4.345  -2.371   5.858
  690   1HG   ARG 100          1HG       ARG 100   6.410  -1.561   6.681
  691   2HG   ARG 100          2HG       ARG 100   6.022   0.096   6.210
  692   1HD   ARG 100          1HD       ARG 100   4.720   0.450   8.019
  693   2HD   ARG 100          2HD       ARG 100   4.105  -1.202   8.030
  694    HE   ARG 100           HE       ARG 100   6.810  -1.219   8.796
  695   1HH1  ARG 100          1HH1      ARG 100   3.687  -0.220   9.975
  696   2HH1  ARG 100          2HH1      ARG 100   4.118  -0.391  11.643
  697   1HH2  ARG 100          1HH2      ARG 100   7.389  -1.441  10.992
  698   2HH2  ARG 100          2HH2      ARG 100   6.222  -1.083  12.222
  699    H    VAL 101           H        VAL 101   6.289  -3.577   4.000
  700    HA   VAL 101           HA       VAL 101   4.203  -4.796   2.307
  701    HB   VAL 101           HB       VAL 101   7.114  -5.589   2.470
  702   1HG1  VAL 101          1HG1      VAL 101   4.860  -6.490   0.683
  703   2HG1  VAL 101          2HG1      VAL 101   6.561  -6.874   0.410
  704   3HG1  VAL 101          3HG1      VAL 101   5.745  -7.460   1.861
  705   1HG2  VAL 101          1HG2      VAL 101   6.191  -3.318   1.320
  706   2HG2  VAL 101          2HG2      VAL 101   7.611  -4.206   0.766
  707   3HG2  VAL 101          3HG2      VAL 101   6.053  -4.451  -0.023
  708    HA   PRO 102           HA       PRO 102   3.810  -7.386   5.978
  709   1HB   PRO 102          1HB       PRO 102   1.299  -8.084   5.629
  710   2HB   PRO 102          2HB       PRO 102   1.685  -6.388   5.972
  711   1HG   PRO 102          1HG       PRO 102   1.224  -7.701   3.306
  712   2HG   PRO 102          2HG       PRO 102   0.432  -6.250   3.960
  713   1HD   PRO 102          1HD       PRO 102   2.566  -6.127   2.287
  714   2HD   PRO 102          2HD       PRO 102   2.286  -4.920   3.562
  715    H    LEU 103           H        LEU 103   5.230  -8.428   3.913
  716    HA   LEU 103           HA       LEU 103   4.003 -10.891   3.012
  717   1HB   LEU 103          1HB       LEU 103   5.660 -11.015   1.493
  718   2HB   LEU 103          2HB       LEU 103   5.901  -9.329   1.904
  719    HG   LEU 103           HG       LEU 103   7.495 -11.697   2.873
  720   1HD1  LEU 103          1HD1      LEU 103   7.867  -9.539   0.905
  721   2HD1  LEU 103          2HD1      LEU 103   9.253  -9.887   1.939
  722   3HD1  LEU 103          3HD1      LEU 103   8.545 -11.168   0.953
  723   1HD2  LEU 103          1HD2      LEU 103   6.959  -9.239   4.235
  724   2HD2  LEU 103          2HD2      LEU 103   7.974 -10.593   4.734
  725   3HD2  LEU 103          3HD2      LEU 103   8.656  -9.292   3.757
  726    HA   PRO 104           HA       PRO 104   5.827 -13.452   6.124
  727   1HB   PRO 104          1HB       PRO 104   6.269 -15.760   4.841
  728   2HB   PRO 104          2HB       PRO 104   4.639 -15.106   5.032
  729   1HG   PRO 104          1HG       PRO 104   6.359 -15.209   2.628
  730   2HG   PRO 104          2HG       PRO 104   4.594 -15.178   2.747
  731   1HD   PRO 104          1HD       PRO 104   6.352 -12.995   2.207
  732   2HD   PRO 104          2HD       PRO 104   4.592 -12.941   2.405
  733    H    ALA 105           H        ALA 105   7.672 -14.361   7.020
  734    HA   ALA 105           HA       ALA 105  10.126 -14.555   5.508
  735   1HB   ALA 105          1HB       ALA 105   9.770 -12.105   6.274
  736   2HB   ALA 105          2HB       ALA 105  10.214 -12.717   7.868
  737   3HB   ALA 105          3HB       ALA 105  11.342 -12.864   6.521
  Start of MODEL   14
    1   2H    PRO   1          2H        PRO   1   3.949  14.731  -5.261
    2   1H    PRO   1          1H        PRO   1   4.668  13.258  -5.435
    3    HA   PRO   1           HA       PRO   1   4.521  14.844  -3.268
    4   1HB   PRO   1          1HB       PRO   1   3.505  12.166  -2.501
    5   2HB   PRO   1          2HB       PRO   1   3.217  13.723  -1.760
    6   1HG   PRO   1          1HG       PRO   1   1.328  12.721  -3.164
    7   2HG   PRO   1          2HG       PRO   1   1.765  14.413  -3.453
    8   1HD   PRO   1          1HD       PRO   1   2.699  11.977  -4.979
    9   2HD   PRO   1          2HD       PRO   1   1.897  13.413  -5.619
   10    H    ARG   2           H        ARG   2   5.280  13.184  -1.368
   11    HA   ARG   2           HA       ARG   2   7.686  11.821  -2.454
   12   1HB   ARG   2          1HB       ARG   2   8.229  13.797  -1.076
   13   2HB   ARG   2          2HB       ARG   2   7.266  13.148   0.244
   14   1HG   ARG   2          1HG       ARG   2   9.352  12.555   0.928
   15   2HG   ARG   2          2HG       ARG   2   8.909  11.114   0.015
   16   1HD   ARG   2          1HD       ARG   2  11.069  11.618  -0.716
   17   2HD   ARG   2          2HD       ARG   2  10.022  12.252  -1.979
   18    HE   ARG   2           HE       ARG   2  11.471  13.839   0.020
   19   1HH1  ARG   2          1HH1      ARG   2   9.604  13.690  -2.941
   20   2HH1  ARG   2          2HH1      ARG   2   9.971  15.319  -3.390
   21   1HH2  ARG   2          1HH2      ARG   2  11.940  15.976  -0.583
   22   2HH2  ARG   2          2HH2      ARG   2  11.292  16.614  -2.057
   23    H    VAL   3           H        VAL   3   8.322   9.783  -1.114
   24    HA   VAL   3           HA       VAL   3   6.202   8.823   0.574
   25    HB   VAL   3           HB       VAL   3   6.340   8.177  -2.267
   26   1HG1  VAL   3          1HG1      VAL   3   7.151   6.067  -1.011
   27   2HG1  VAL   3          2HG1      VAL   3   5.455   5.944  -0.559
   28   3HG1  VAL   3          3HG1      VAL   3   5.910   5.985  -2.266
   29   1HG2  VAL   3          1HG2      VAL   3   4.402   8.348  -0.077
   30   2HG2  VAL   3          2HG2      VAL   3   4.349   9.026  -1.710
   31   3HG2  VAL   3          3HG2      VAL   3   4.017   7.309  -1.455
   32    H    VAL   4           H        VAL   4   6.563   6.481   1.175
   33    HA   VAL   4           HA       VAL   4   9.297   5.622   0.947
   34    HB   VAL   4           HB       VAL   4   8.283   6.711   3.537
   35   1HG1  VAL   4          1HG1      VAL   4   9.844   4.259   3.161
   36   2HG1  VAL   4          2HG1      VAL   4  10.614   5.443   4.221
   37   3HG1  VAL   4          3HG1      VAL   4   8.993   4.852   4.591
   38   1HG2  VAL   4          1HG2      VAL   4  10.680   6.983   1.784
   39   2HG2  VAL   4          2HG2      VAL   4   9.648   8.240   2.472
   40   3HG2  VAL   4          3HG2      VAL   4  10.801   7.384   3.500
   41    H    PHE   5           H        PHE   5   9.109   3.659   0.430
   42    HA   PHE   5           HA       PHE   5   6.965   1.949   1.484
   43   1HB   PHE   5          1HB       PHE   5   9.021   1.637  -0.696
   44   2HB   PHE   5          2HB       PHE   5   7.973   0.331  -0.185
   45    HD1  PHE   5           HD1      PHE   5   6.600   3.802  -0.425
   46    HD2  PHE   5           HD2      PHE   5   7.171   0.058  -2.368
   47    HE1  PHE   5           HE1      PHE   5   5.017   4.426  -2.166
   48    HE2  PHE   5           HE2      PHE   5   5.588   0.639  -4.053
   49    HZ   PHE   5           HZ       PHE   5   4.471   2.831  -3.967
   50    H    ILE   6           H        ILE   6   7.800  -0.422   1.735
   51    HA   ILE   6           HA       ILE   6  10.412  -0.733   2.878
   52    HB   ILE   6           HB       ILE   6   8.179  -1.668   4.604
   53   1HG1  ILE   6          1HG1      ILE   6   7.931   0.813   4.024
   54   2HG1  ILE   6          2HG1      ILE   6   7.937   0.379   5.722
   55   1HG2  ILE   6          1HG2      ILE   6  11.019  -1.464   4.618
   56   2HG2  ILE   6          2HG2      ILE   6  10.346  -0.658   6.031
   57   3HG2  ILE   6          3HG2      ILE   6   9.957  -2.349   5.711
   58   1HD1  ILE   6          1HD1      ILE   6  10.583   0.944   4.743
   59   2HD1  ILE   6          2HD1      ILE   6   9.481   2.291   4.471
   60   3HD1  ILE   6          3HD1      ILE   6   9.708   1.651   6.099
   61    H    ASP   7           H        ASP   7  10.740  -3.049   3.583
   62    HA   ASP   7           HA       ASP   7   8.947  -5.070   2.785
   63   1HB   ASP   7          1HB       ASP   7   9.473  -4.504   0.530
   64   2HB   ASP   7          2HB       ASP   7  11.191  -4.462   0.877
   65    H    GLU   8           H        GLU   8   9.995  -7.212   2.799
   66    HA   GLU   8           HA       GLU   8  11.712  -7.381   5.104
   67   1HB   GLU   8          1HB       GLU   8   9.685  -8.922   4.252
   68   2HB   GLU   8          2HB       GLU   8  11.033  -9.833   3.587
   69   1HG   GLU   8          1HG       GLU   8  11.611  -9.118   6.293
   70   2HG   GLU   8          2HG       GLU   8  10.026  -9.885   6.203
   71    H    GLN   9           H        GLN   9  12.267  -7.234   1.778
   72    HA   GLN   9           HA       GLN   9  14.669  -8.870   1.860
   73   1HB   GLN   9          1HB       GLN   9  13.453  -7.252  -0.384
   74   2HB   GLN   9          2HB       GLN   9  14.870  -8.283  -0.539
   75   1HG   GLN   9          1HG       GLN   9  12.364  -9.476   0.519
   76   2HG   GLN   9          2HG       GLN   9  12.470  -9.122  -1.205
   77   1HE2  GLN   9          2HE2      GLN   9  13.781 -10.997   1.426
   78   2HE2  GLN   9          1HE2      GLN   9  14.599 -12.164   0.450
   79    H    SER  10           H        SER  10  13.747  -5.489   1.779
   80    HA   SER  10           HA       SER  10  16.597  -4.778   2.037
   81   1HB   SER  10          1HB       SER  10  14.780  -3.911   0.078
   82   2HB   SER  10          2HB       SER  10  14.983  -2.547   1.174
   83    HG   SER  10           HG       SER  10  16.775  -3.692  -0.575
   84    H    GLY  11           H        GLY  11  13.372  -4.442   3.266
   85   1HA   GLY  11          1HA       GLY  11  12.699  -3.726   5.354
   86   2HA   GLY  11          2HA       GLY  11  14.372  -3.372   5.728
   87    H    GLU  12           H        GLU  12  13.169  -2.002   2.865
   88    HA   GLU  12           HA       GLU  12  11.810   0.235   3.595
   89   1HB   GLU  12          1HB       GLU  12  13.483   0.984   5.083
   90   2HB   GLU  12          2HB       GLU  12  14.766   0.658   3.921
   91   1HG   GLU  12          1HG       GLU  12  14.043   2.450   2.515
   92   2HG   GLU  12          2HG       GLU  12  12.602   2.701   3.497
   93    H    TYR  13           H        TYR  13  11.305   1.455   1.903
   94    HA   TYR  13           HA       TYR  13  12.963   1.358  -0.481
   95   1HB   TYR  13          1HB       TYR  13  10.177   0.287  -0.240
   96   2HB   TYR  13          2HB       TYR  13  10.800   0.846  -1.791
   97    HD1  TYR  13           HD1      TYR  13  11.660  -1.420   1.035
   98    HD2  TYR  13           HD2      TYR  13  11.987  -0.639  -3.122
   99    HE1  TYR  13           HE1      TYR  13  12.810  -3.579   0.741
  100    HE2  TYR  13           HE2      TYR  13  13.103  -2.783  -3.463
  101    HH   TYR  13           HH       TYR  13  14.362  -4.423  -2.235
  102    H    ALA  14           H        ALA  14  13.014   3.533   0.812
  103    HA   ALA  14           HA       ALA  14  11.023   5.427   0.796
  104   1HB   ALA  14          1HB       ALA  14  13.983   5.559   0.654
  105   2HB   ALA  14          2HB       ALA  14  13.070   7.036   0.343
  106   3HB   ALA  14          3HB       ALA  14  12.877   6.187   1.877
  107    H    VAL  15           H        VAL  15  10.134   6.826  -0.625
  108    HA   VAL  15           HA       VAL  15  11.201   7.212  -3.250
  109    HB   VAL  15           HB       VAL  15  10.113   4.937  -3.265
  110   1HG1  VAL  15          1HG1      VAL  15   7.595   6.589  -3.096
  111   2HG1  VAL  15          2HG1      VAL  15   7.660   4.944  -3.766
  112   3HG1  VAL  15          3HG1      VAL  15   8.096   5.221  -2.086
  113   1HG2  VAL  15          1HG2      VAL  15  10.172   7.031  -5.187
  114   2HG2  VAL  15          2HG2      VAL  15  10.330   5.299  -5.439
  115   3HG2  VAL  15          3HG2      VAL  15   8.732   6.046  -5.448
  116    H    ASP  16           H        ASP  16   8.783   7.771  -4.472
  117    HA   ASP  16           HA       ASP  16   7.439   9.818  -2.990
  118   1HB   ASP  16          1HB       ASP  16   8.438  10.559  -5.655
  119   2HB   ASP  16          2HB       ASP  16   8.102  11.587  -4.271
  120    H    ALA  17           H        ALA  17   5.661  10.647  -4.337
  121    HA   ALA  17           HA       ALA  17   4.939   8.828  -6.509
  122   1HB   ALA  17          1HB       ALA  17   4.084   8.470  -3.997
  123   2HB   ALA  17          2HB       ALA  17   2.800   9.519  -4.659
  124   3HB   ALA  17          3HB       ALA  17   3.186   7.976  -5.444
  125    H    GLN  18           H        GLN  18   2.574   9.591  -7.211
  126    HA   GLN  18           HA       GLN  18   2.525  12.513  -7.465
  127   1HB   GLN  18          1HB       GLN  18   1.901  10.797  -9.845
  128   2HB   GLN  18          2HB       GLN  18   2.352  12.495  -9.794
  129   1HG   GLN  18          1HG       GLN  18   4.626  11.957  -9.349
  130   2HG   GLN  18          2HG       GLN  18   4.234  10.256  -9.106
  131   1HE2  GLN  18          2HE2      GLN  18   3.607  12.716 -11.592
  132   2HE2  GLN  18          1HE2      GLN  18   4.092  11.733 -12.928
  133    H    ASP  19           H        ASP  19   0.565  13.244  -6.900
  134    HA   ASP  19           HA       ASP  19  -1.510  11.746  -6.030
  135   1HB   ASP  19          1HB       ASP  19  -2.500  14.089  -7.470
  136   2HB   ASP  19          2HB       ASP  19  -2.673  13.659  -5.784
  137    H    GLY  20           H        GLY  20  -2.626  10.212  -6.855
  138   1HA   GLY  20          1HA       GLY  20  -4.399   9.720  -8.522
  139   2HA   GLY  20          2HA       GLY  20  -3.275  10.326  -9.730
  140    H    GLN  21           H        GLN  21  -1.361   8.764  -7.545
  141    HA   GLN  21           HA       GLN  21  -1.732   6.161  -8.890
  142   1HB   GLN  21          1HB       GLN  21   0.998   7.009  -8.073
  143   2HB   GLN  21          2HB       GLN  21   0.506   5.932  -9.368
  144   1HG   GLN  21          1HG       GLN  21  -0.052   7.721 -10.779
  145   2HG   GLN  21          2HG       GLN  21   0.009   8.889  -9.470
  146   1HE2  GLN  21          2HE2      GLN  21   2.362   8.121  -8.295
  147   2HE2  GLN  21          1HE2      GLN  21   3.678   8.461  -9.348
  148    H    SER  22           H        SER  22  -0.844   4.331  -7.672
  149    HA   SER  22           HA       SER  22  -1.174   4.819  -4.808
  150   1HB   SER  22          1HB       SER  22  -1.706   2.442  -4.604
  151   2HB   SER  22          2HB       SER  22  -2.700   3.160  -5.867
  152    HG   SER  22           HG       SER  22  -1.021   1.112  -6.062
  153    H    LEU  23           H        LEU  23  -0.024   2.499  -3.813
  154    HA   LEU  23           HA       LEU  23   2.758   3.261  -3.864
  155   1HB   LEU  23          1HB       LEU  23   2.410   2.542  -1.762
  156   2HB   LEU  23          2HB       LEU  23   1.040   1.554  -2.226
  157    HG   LEU  23           HG       LEU  23   3.622   0.435  -3.071
  158   1HD1  LEU  23          1HD1      LEU  23   3.690   1.621  -0.611
  159   2HD1  LEU  23          2HD1      LEU  23   3.265  -0.051  -0.243
  160   3HD1  LEU  23          3HD1      LEU  23   4.727   0.307  -1.161
  161   1HD2  LEU  23          1HD2      LEU  23   1.004  -0.419  -2.096
  162   2HD2  LEU  23          2HD2      LEU  23   2.107  -1.203  -3.227
  163   3HD2  LEU  23          3HD2      LEU  23   2.350  -1.384  -1.490
  164    H    MET  24           H        MET  24   0.770   0.922  -5.379
  165    HA   MET  24           HA       MET  24   2.687  -1.035  -5.988
  166   1HB   MET  24          1HB       MET  24   0.009  -0.884  -6.342
  167   2HB   MET  24          2HB       MET  24   0.561  -0.624  -7.992
  168   1HG   MET  24          1HG       MET  24   1.662  -2.702  -8.064
  169   2HG   MET  24          2HG       MET  24   1.543  -2.911  -6.318
  170   1HE   MET  24          1HE       MET  24   0.761  -4.430  -9.173
  171   2HE   MET  24          2HE       MET  24  -0.918  -4.967  -9.192
  172   3HE   MET  24          3HE       MET  24  -0.501  -3.363  -9.791
  173    H    GLU  25           H        GLU  25   1.681   1.869  -7.734
  174    HA   GLU  25           HA       GLU  25   3.418   1.292  -9.929
  175   1HB   GLU  25          1HB       GLU  25   1.352   2.674 -10.179
  176   2HB   GLU  25          2HB       GLU  25   2.121   3.924  -9.211
  177   1HG   GLU  25          1HG       GLU  25   3.638   4.462 -10.872
  178   2HG   GLU  25          2HG       GLU  25   3.438   2.914 -11.694
  179    H    VAL  26           H        VAL  26   3.589   3.389  -7.097
  180    HA   VAL  26           HA       VAL  26   5.965   4.657  -7.721
  181    HB   VAL  26           HB       VAL  26   5.968   3.613  -4.987
  182   1HG1  VAL  26          1HG1      VAL  26   6.169   6.271  -6.326
  183   2HG1  VAL  26          2HG1      VAL  26   6.170   6.084  -4.570
  184   3HG1  VAL  26          3HG1      VAL  26   7.415   5.323  -5.541
  185   1HG2  VAL  26          1HG2      VAL  26   3.547   3.779  -5.381
  186   2HG2  VAL  26          2HG2      VAL  26   4.202   4.862  -4.142
  187   3HG2  VAL  26          3HG2      VAL  26   3.795   5.498  -5.742
  188    H    ALA  27           H        ALA  27   5.518   1.740  -5.815
  189    HA   ALA  27           HA       ALA  27   7.869   0.754  -5.327
  190   1HB   ALA  27          1HB       ALA  27   5.372  -0.373  -5.615
  191   2HB   ALA  27          2HB       ALA  27   6.393  -1.338  -6.686
  192   3HB   ALA  27          3HB       ALA  27   6.807  -1.174  -4.974
  193    H    THR  28           H        THR  28   6.419  -0.368  -8.337
  194    HA   THR  28           HA       THR  28   8.677  -1.402  -9.478
  195    HB   THR  28           HB       THR  28   7.434  -1.718 -11.330
  196    HG1  THR  28           HG1      THR  28   6.408   0.914 -11.221
  197   1HG2  THR  28          1HG2      THR  28   5.774  -1.890  -9.392
  198   2HG2  THR  28          2HG2      THR  28   5.125  -0.369 -10.004
  199   3HG2  THR  28          3HG2      THR  28   5.143  -1.799 -11.036
  200    H    GLN  29           H        GLN  29   7.765   1.922  -9.155
  201    HA   GLN  29           HA       GLN  29   9.778   2.855 -11.013
  202   1HB   GLN  29          1HB       GLN  29   8.017   4.369  -9.084
  203   2HB   GLN  29          2HB       GLN  29   9.112   5.122 -10.235
  204   1HG   GLN  29          1HG       GLN  29   7.518   3.333 -11.704
  205   2HG   GLN  29          2HG       GLN  29   6.437   4.205 -10.619
  206   1HE2  GLN  29          2HE2      GLN  29   9.262   4.910 -12.655
  207   2HE2  GLN  29          1HE2      GLN  29   8.609   6.347 -13.358
  208    H    ASN  30           H        ASN  30   9.441   2.385  -7.586
  209    HA   ASN  30           HA       ASN  30  11.906   3.784  -6.969
  210   1HB   ASN  30          1HB       ASN  30  10.732   2.091  -4.886
  211   2HB   ASN  30          2HB       ASN  30  11.157   3.779  -4.827
  212   1HD2  ASN  30          2HD2      ASN  30   8.738   2.345  -3.916
  213   2HD2  ASN  30          1HD2      ASN  30   7.436   3.125  -4.676
  214    H    GLY  31           H        GLY  31  11.369   0.925  -8.373
  215   1HA   GLY  31          1HA       GLY  31  12.807  -0.861  -8.742
  216   2HA   GLY  31          2HA       GLY  31  13.920  -0.157  -7.574
  217    H    VAL  32           H        VAL  32  10.824  -0.335  -6.369
  218    HA   VAL  32           HA       VAL  32  11.417  -2.114  -4.296
  219    HB   VAL  32           HB       VAL  32   8.669  -1.399  -5.247
  220   1HG1  VAL  32          1HG1      VAL  32   9.849  -2.091  -2.612
  221   2HG1  VAL  32          2HG1      VAL  32   8.416  -1.072  -2.709
  222   3HG1  VAL  32          3HG1      VAL  32   8.379  -2.697  -3.384
  223   1HG2  VAL  32          1HG2      VAL  32  10.719   0.359  -3.988
  224   2HG2  VAL  32          2HG2      VAL  32   9.659   0.686  -5.359
  225   3HG2  VAL  32          3HG2      VAL  32   8.999   0.635  -3.723
  226    HA   PRO  33           HA       PRO  33  10.462  -6.080  -5.989
  227   1HB   PRO  33          1HB       PRO  33   9.206  -6.912  -3.476
  228   2HB   PRO  33          2HB       PRO  33  10.758  -7.404  -4.162
  229   1HG   PRO  33          1HG       PRO  33  10.627  -5.842  -1.961
  230   2HG   PRO  33          2HG       PRO  33  11.904  -5.640  -3.176
  231   1HD   PRO  33          1HD       PRO  33   9.344  -4.118  -2.863
  232   2HD   PRO  33          2HD       PRO  33  10.982  -3.495  -3.068
  233    H    GLY  34           H        GLY  34   8.084  -3.917  -5.387
  234   1HA   GLY  34          1HA       GLY  34   5.763  -3.923  -5.570
  235   2HA   GLY  34          2HA       GLY  34   6.187  -4.711  -7.082
  236    H    ILE  35           H        ILE  35   6.731  -6.180  -3.958
  237    HA   ILE  35           HA       ILE  35   6.144  -8.328  -3.327
  238    HB   ILE  35           HB       ILE  35   3.511  -6.858  -3.441
  239   1HG1  ILE  35          1HG1      ILE  35   4.008  -6.588  -0.968
  240   2HG1  ILE  35          2HG1      ILE  35   5.635  -7.161  -1.318
  241   1HG2  ILE  35          1HG2      ILE  35   4.280  -9.423  -2.064
  242   2HG2  ILE  35          2HG2      ILE  35   2.854  -8.477  -1.634
  243   3HG2  ILE  35          3HG2      ILE  35   2.999  -9.171  -3.249
  244   1HD1  ILE  35          1HD1      ILE  35   4.618  -4.911  -2.945
  245   2HD1  ILE  35          2HD1      ILE  35   5.004  -4.588  -1.256
  246   3HD1  ILE  35          3HD1      ILE  35   6.241  -5.233  -2.335
  247    H    VAL  36           H        VAL  36   3.022  -7.932  -4.851
  248    HA   VAL  36           HA       VAL  36   3.649  -9.461  -7.193
  249    HB   VAL  36           HB       VAL  36   2.176 -11.390  -6.634
  250   1HG1  VAL  36          1HG1      VAL  36   4.655 -11.492  -6.468
  251   2HG1  VAL  36          2HG1      VAL  36   4.511 -11.125  -4.749
  252   3HG1  VAL  36          3HG1      VAL  36   3.822 -12.615  -5.393
  253   1HG2  VAL  36          1HG2      VAL  36   1.301  -9.905  -4.556
  254   2HG2  VAL  36          2HG2      VAL  36   1.141 -11.659  -4.648
  255   3HG2  VAL  36          3HG2      VAL  36   2.470 -10.941  -3.739
  256    H    ALA  37           H        ALA  37   1.699  -9.916  -8.504
  257    HA   ALA  37           HA       ALA  37  -0.773  -8.638  -7.760
  258   1HB   ALA  37          1HB       ALA  37   0.716  -6.754  -8.509
  259   2HB   ALA  37          2HB       ALA  37   0.699  -7.482 -10.116
  260   3HB   ALA  37          3HB       ALA  37  -0.805  -6.913  -9.389
  261    H    GLU  38           H        GLU  38  -2.379  -9.775  -8.621
  262    HA   GLU  38           HA       GLU  38  -1.803 -11.608 -10.821
  263   1HB   GLU  38          1HB       GLU  38  -2.849 -12.666  -8.960
  264   2HB   GLU  38          2HB       GLU  38  -4.074 -11.409  -8.848
  265   1HG   GLU  38          1HG       GLU  38  -4.129 -12.644 -11.444
  266   2HG   GLU  38          2HG       GLU  38  -4.261 -13.856 -10.172
  267    H    CYS  39           H        CYS  39  -3.712  -8.794 -10.040
  268    HA   CYS  39           HA       CYS  39  -4.986  -8.882 -12.685
  269   1HB   CYS  39          1HB       CYS  39  -6.682  -7.511 -11.858
  270   2HB   CYS  39          2HB       CYS  39  -6.299  -8.525 -10.472
  271    H    GLY  40           H        GLY  40  -2.841  -7.011 -10.649
  272   1HA   GLY  40          1HA       GLY  40  -1.399  -5.296 -11.129
  273   2HA   GLY  40          2HA       GLY  40  -1.535  -5.783 -12.812
  274    H    GLY  41           H        GLY  41  -3.855  -4.387 -10.489
  275   1HA   GLY  41          1HA       GLY  41  -4.784  -2.240 -10.527
  276   2HA   GLY  41          2HA       GLY  41  -3.974  -1.942 -12.057
  277    H    SER  42           H        SER  42  -5.498  -4.897 -12.222
  278    HA   SER  42           HA       SER  42  -7.558  -3.814 -13.940
  279   1HB   SER  42          1HB       SER  42  -6.115  -6.219 -13.846
  280   2HB   SER  42          2HB       SER  42  -7.782  -6.664 -13.482
  281    HG   SER  42           HG       SER  42  -7.196  -6.597 -15.770
  282    H    CYS  43           H        CYS  43  -7.306  -4.473 -10.677
  283    HA   CYS  43           HA       CYS  43  -8.795  -4.578  -8.964
  284   1HB   CYS  43          1HB       CYS  43 -10.683  -3.554 -11.092
  285   2HB   CYS  43          2HB       CYS  43 -11.070  -3.640  -9.377
  286    HG   CYS  43           HG       CYS  43  -8.899  -1.735 -10.540
  287    H    VAL  44           H        VAL  44  -8.304  -7.004  -9.676
  288    HA   VAL  44           HA       VAL  44 -10.846  -8.361  -9.410
  289    HB   VAL  44           HB       VAL  44 -10.738  -9.753 -11.290
  290   1HG1  VAL  44          1HG1      VAL  44 -11.486  -7.455 -11.776
  291   2HG1  VAL  44          2HG1      VAL  44  -9.842  -7.046 -12.269
  292   3HG1  VAL  44          3HG1      VAL  44 -10.764  -8.243 -13.178
  293   1HG2  VAL  44          1HG2      VAL  44  -7.890  -8.965 -11.343
  294   2HG2  VAL  44          2HG2      VAL  44  -8.639 -10.532 -11.639
  295   3HG2  VAL  44          3HG2      VAL  44  -8.652  -9.296 -12.896
  296    H    CYS  45           H        CYS  45  -8.051  -7.968  -8.120
  297    HA   CYS  45           HA       CYS  45  -7.811 -10.764  -7.309
  298   1HB   CYS  45          1HB       CYS  45  -5.615 -11.032  -7.849
  299   2HB   CYS  45          2HB       CYS  45  -6.030  -9.864  -9.098
  300    H    ALA  46           H        ALA  46  -5.760 -10.594  -5.520
  301    HA   ALA  46           HA       ALA  46  -6.159  -8.296  -3.806
  302   1HB   ALA  46          1HB       ALA  46  -8.072  -9.891  -3.351
  303   2HB   ALA  46          2HB       ALA  46  -6.868 -10.994  -2.687
  304   3HB   ALA  46          3HB       ALA  46  -7.108  -9.407  -1.955
  305    H    THR  47           H        THR  47  -4.006  -9.960  -5.202
  306    HA   THR  47           HA       THR  47  -2.403 -10.932  -3.003
  307    HB   THR  47           HB       THR  47  -0.661 -11.074  -4.961
  308    HG1  THR  47           HG1      THR  47  -1.436 -10.257  -6.721
  309   1HG2  THR  47          1HG2      THR  47  -3.134 -12.788  -4.964
  310   2HG2  THR  47          2HG2      THR  47  -1.603 -13.177  -5.748
  311   3HG2  THR  47          3HG2      THR  47  -1.685 -13.046  -3.992
  312    H    CYS  48           H        CYS  48  -3.093  -7.921  -4.120
  313    HA   CYS  48           HA       CYS  48  -0.422  -6.810  -3.825
  314   1HB   CYS  48          1HB       CYS  48  -1.526  -4.655  -4.374
  315   2HB   CYS  48          2HB       CYS  48  -1.807  -5.892  -5.592
  316    H    ARG  49           H        ARG  49  -1.064  -7.999  -1.518
  317    HA   ARG  49           HA       ARG  49  -2.366  -6.219   0.318
  318   1HB   ARG  49          1HB       ARG  49  -2.605  -8.442   0.944
  319   2HB   ARG  49          2HB       ARG  49  -0.938  -8.840   0.549
  320   1HG   ARG  49          1HG       ARG  49  -0.128  -8.045   2.545
  321   2HG   ARG  49          2HG       ARG  49  -1.490  -6.949   2.784
  322   1HD   ARG  49          1HD       ARG  49  -2.930  -8.996   3.085
  323   2HD   ARG  49          2HD       ARG  49  -1.442  -9.939   3.125
  324    HE   ARG  49           HE       ARG  49  -1.121  -7.942   4.995
  325   1HH1  ARG  49          1HH1      ARG  49  -3.320 -10.585   4.452
  326   2HH1  ARG  49          2HH1      ARG  49  -3.663 -10.817   6.133
  327   1HH2  ARG  49          1HH2      ARG  49  -1.560  -8.242   7.214
  328   2HH2  ARG  49          2HH2      ARG  49  -2.663  -9.484   7.704
  329    H    ILE  50           H        ILE  50  -1.500  -4.507   1.217
  330    HA   ILE  50           HA       ILE  50   1.296  -4.515   2.033
  331    HB   ILE  50           HB       ILE  50   0.246  -2.145   0.505
  332   1HG1  ILE  50          1HG1      ILE  50   0.254  -4.217  -0.929
  333   2HG1  ILE  50          2HG1      ILE  50   1.320  -2.934  -1.491
  334   1HG2  ILE  50          1HG2      ILE  50   2.853  -3.010   1.646
  335   2HG2  ILE  50          2HG2      ILE  50   2.861  -2.011   0.194
  336   3HG2  ILE  50          3HG2      ILE  50   2.082  -1.425   1.665
  337   1HD1  ILE  50          1HD1      ILE  50   2.713  -4.722   0.281
  338   2HD1  ILE  50          2HD1      ILE  50   1.971  -5.597  -1.058
  339   3HD1  ILE  50          3HD1      ILE  50   3.082  -4.265  -1.382
  340    H    GLU  51           H        GLU  51   1.745  -2.399   3.320
  341    HA   GLU  51           HA       GLU  51  -0.691  -1.496   4.673
  342   1HB   GLU  51          1HB       GLU  51   1.632  -2.913   5.906
  343   2HB   GLU  51          2HB       GLU  51   0.753  -1.715   6.847
  344   1HG   GLU  51          1HG       GLU  51  -1.344  -2.999   6.304
  345   2HG   GLU  51          2HG       GLU  51  -0.299  -4.265   5.659
  346    H    ILE  52           H        ILE  52  -0.751   0.608   4.932
  347    HA   ILE  52           HA       ILE  52   1.383   2.353   4.221
  348    HB   ILE  52           HB       ILE  52  -1.214   2.852   5.692
  349   1HG1  ILE  52          1HG1      ILE  52  -1.190   2.009   3.248
  350   2HG1  ILE  52          2HG1      ILE  52  -2.173   3.420   3.637
  351   1HG2  ILE  52          1HG2      ILE  52   0.473   4.574   6.171
  352   2HG2  ILE  52          2HG2      ILE  52   0.632   4.874   4.441
  353   3HG2  ILE  52          3HG2      ILE  52  -0.899   5.200   5.256
  354   1HD1  ILE  52          1HD1      ILE  52  -0.350   4.858   2.847
  355   2HD1  ILE  52          2HD1      ILE  52   0.543   3.413   2.367
  356   3HD1  ILE  52          3HD1      ILE  52  -0.996   3.798   1.591
  357    H    GLU  53           H        GLU  53   2.701   3.714   5.673
  358    HA   GLU  53           HA       GLU  53   3.392   2.400   8.054
  359   1HB   GLU  53          1HB       GLU  53   4.998   3.970   8.262
  360   2HB   GLU  53          2HB       GLU  53   4.421   4.558   6.715
  361   1HG   GLU  53          1HG       GLU  53   4.291   6.507   7.801
  362   2HG   GLU  53          2HG       GLU  53   2.772   5.852   8.375
  363    H    ASP  54           H        ASP  54   3.012   3.294  10.372
  364    HA   ASP  54           HA       ASP  54   0.166   3.543  10.672
  365   1HB   ASP  54          1HB       ASP  54   2.207   2.496  12.230
  366   2HB   ASP  54          2HB       ASP  54   1.675   3.911  13.133
  367    H    ALA  55           H        ALA  55   1.761   5.852   9.604
  368    HA   ALA  55           HA       ALA  55   0.849   7.914  11.480
  369   1HB   ALA  55          1HB       ALA  55   3.348   7.716  10.786
  370   2HB   ALA  55          2HB       ALA  55   2.798   8.437   9.272
  371   3HB   ALA  55          3HB       ALA  55   2.576   9.303  10.792
  372    H    TRP  56           H        TRP  56   0.721   6.613   8.292
  373    HA   TRP  56           HA       TRP  56  -0.880   8.870   7.357
  374   1HB   TRP  56          1HB       TRP  56   0.499   6.709   5.808
  375   2HB   TRP  56          2HB       TRP  56  -0.322   8.108   5.131
  376    HD1  TRP  56           HD1      TRP  56   2.498   7.385   7.610
  377    HE1  TRP  56           HE1      TRP  56   4.245   9.240   7.429
  378    HE3  TRP  56           HE3      TRP  56   0.164  10.247   4.067
  379    HZ2  TRP  56           HZ2      TRP  56   4.603  11.607   5.964
  380    HZ3  TRP  56           HZ3      TRP  56   1.334  12.287   3.311
  381    HH2  TRP  56           HH2      TRP  56   3.480  12.948   4.232
  382    H    VAL  57           H        VAL  57  -1.538   5.933   8.638
  383    HA   VAL  57           HA       VAL  57  -3.348   4.916   6.737
  384    HB   VAL  57           HB       VAL  57  -3.502   4.655   9.735
  385   1HG1  VAL  57          1HG1      VAL  57  -5.512   4.041   8.530
  386   2HG1  VAL  57          2HG1      VAL  57  -4.570   2.986   7.479
  387   3HG1  VAL  57          3HG1      VAL  57  -4.721   2.608   9.197
  388   1HG2  VAL  57          1HG2      VAL  57  -1.348   4.098   8.359
  389   2HG2  VAL  57          2HG2      VAL  57  -1.909   3.029   9.647
  390   3HG2  VAL  57          3HG2      VAL  57  -2.254   2.635   7.961
  391    H    GLU  58           H        GLU  58  -3.513   7.215   9.342
  392    HA   GLU  58           HA       GLU  58  -6.340   7.674   9.009
  393   1HB   GLU  58          1HB       GLU  58  -4.197   8.943  10.702
  394   2HB   GLU  58          2HB       GLU  58  -5.784   9.683  10.555
  395   1HG   GLU  58          1HG       GLU  58  -5.033   7.075  11.804
  396   2HG   GLU  58          2HG       GLU  58  -5.934   8.424  12.496
  397    H    ILE  59           H        ILE  59  -3.644   8.384   7.309
  398    HA   ILE  59           HA       ILE  59  -4.613  10.993   6.336
  399    HB   ILE  59           HB       ILE  59  -1.982   9.578   6.143
  400   1HG1  ILE  59          1HG1      ILE  59  -2.263  12.485   6.552
  401   2HG1  ILE  59          2HG1      ILE  59  -2.847  11.450   7.849
  402   1HG2  ILE  59          1HG2      ILE  59  -3.171  11.226   4.067
  403   2HG2  ILE  59          2HG2      ILE  59  -1.630  11.856   4.645
  404   3HG2  ILE  59          3HG2      ILE  59  -1.730  10.210   4.022
  405   1HD1  ILE  59          1HD1      ILE  59  -0.244  10.664   6.865
  406   2HD1  ILE  59          2HD1      ILE  59  -0.277  12.314   7.489
  407   3HD1  ILE  59          3HD1      ILE  59  -0.793  10.977   8.512
  408    H    VAL  60           H        VAL  60  -3.735   7.750   5.423
  409    HA   VAL  60           HA       VAL  60  -4.607   8.160   2.687
  410    HB   VAL  60           HB       VAL  60  -3.444   5.666   3.930
  411   1HG1  VAL  60          1HG1      VAL  60  -4.026   6.548   1.132
  412   2HG1  VAL  60          2HG1      VAL  60  -2.738   5.390   1.458
  413   3HG1  VAL  60          3HG1      VAL  60  -4.397   5.015   1.919
  414   1HG2  VAL  60          1HG2      VAL  60  -2.163   8.153   3.568
  415   2HG2  VAL  60          2HG2      VAL  60  -1.418   6.592   3.921
  416   3HG2  VAL  60          3HG2      VAL  60  -1.613   7.115   2.251
  417    H    GLY  61           H        GLY  61  -5.044   5.203   4.598
  418   1HA   GLY  61          1HA       GLY  61  -6.956   3.787   4.314
  419   2HA   GLY  61          2HA       GLY  61  -7.402   4.936   5.565
  420    H    GLU  62           H        GLU  62  -7.330   4.802   1.994
  421    HA   GLU  62           HA       GLU  62  -9.699   6.466   1.899
  422   1HB   GLU  62          1HB       GLU  62  -7.976   5.306  -0.281
  423   2HB   GLU  62          2HB       GLU  62  -9.349   6.368  -0.565
  424   1HG   GLU  62          1HG       GLU  62  -8.138   8.027   0.965
  425   2HG   GLU  62          2HG       GLU  62  -6.721   7.007   0.722
  426    H    ALA  63           H        ALA  63  -8.945   3.140   1.724
  427    HA   ALA  63           HA       ALA  63 -10.852   2.100   0.043
  428   1HB   ALA  63          1HB       ALA  63  -9.625   1.048   2.538
  429   2HB   ALA  63          2HB       ALA  63 -11.008   0.197   1.835
  430   3HB   ALA  63          3HB       ALA  63  -9.538   0.435   0.887
  431    H    ASN  64           H        ASN  64 -12.939   1.569   0.128
  432    HA   ASN  64           HA       ASN  64 -14.581   2.893   2.106
  433   1HB   ASN  64          1HB       ASN  64 -16.319   2.708   0.511
  434   2HB   ASN  64          2HB       ASN  64 -14.889   2.985  -0.464
  435   1HD2  ASN  64          2HD2      ASN  64 -17.585   1.427  -0.651
  436   2HD2  ASN  64          1HD2      ASN  64 -17.101  -0.051  -1.402
  437    HA   PRO  65           HA       PRO  65 -16.051  -0.767   4.119
  438   1HB   PRO  65          1HB       PRO  65 -18.676  -0.904   2.820
  439   2HB   PRO  65          2HB       PRO  65 -18.276  -0.546   4.501
  440   1HG   PRO  65          1HG       PRO  65 -19.203   1.330   2.778
  441   2HG   PRO  65          2HG       PRO  65 -18.110   1.709   4.120
  442   1HD   PRO  65          1HD       PRO  65 -17.500   1.434   1.207
  443   2HD   PRO  65          2HD       PRO  65 -16.808   2.540   2.401
  444    H    ASP  66           H        ASP  66 -15.603  -0.892   0.819
  445    HA   ASP  66           HA       ASP  66 -16.530  -3.642   0.527
  446   1HB   ASP  66          1HB       ASP  66 -15.684  -1.503  -1.347
  447   2HB   ASP  66          2HB       ASP  66 -15.357  -3.160  -1.838
  448    H    GLU  67           H        GLU  67 -13.499  -1.817   0.169
  449    HA   GLU  67           HA       GLU  67 -11.818  -3.994  -0.289
  450   1HB   GLU  67          1HB       GLU  67 -10.925  -1.597   1.286
  451   2HB   GLU  67          2HB       GLU  67 -10.020  -2.541   0.109
  452   1HG   GLU  67          1HG       GLU  67 -12.200  -0.543  -0.398
  453   2HG   GLU  67          2HG       GLU  67 -10.518  -0.482  -0.920
  454    H    ASN  68           H        ASN  68 -13.067  -2.656   2.699
  455    HA   ASN  68           HA       ASN  68 -11.371  -4.147   4.432
  456   1HB   ASN  68          1HB       ASN  68 -12.402  -2.177   5.313
  457   2HB   ASN  68          2HB       ASN  68 -14.009  -2.744   4.872
  458   1HD2  ASN  68          2HD2      ASN  68 -11.643  -4.890   6.219
  459   2HD2  ASN  68          1HD2      ASN  68 -12.393  -5.077   7.765
  460    H    ASP  69           H        ASP  69 -14.537  -4.680   3.001
  461    HA   ASP  69           HA       ASP  69 -15.074  -7.076   4.483
  462   1HB   ASP  69          1HB       ASP  69 -16.788  -5.511   3.379
  463   2HB   ASP  69          2HB       ASP  69 -16.370  -6.316   1.870
  464    H    LEU  70           H        LEU  70 -13.665  -6.309   1.356
  465    HA   LEU  70           HA       LEU  70 -13.668  -8.895   0.263
  466   1HB   LEU  70          1HB       LEU  70 -12.964  -6.477  -0.670
  467   2HB   LEU  70          2HB       LEU  70 -11.369  -7.126  -0.339
  468    HG   LEU  70           HG       LEU  70 -13.130  -8.944  -1.835
  469   1HD1  LEU  70          1HD1      LEU  70 -13.540  -6.472  -2.634
  470   2HD1  LEU  70          2HD1      LEU  70 -11.988  -6.713  -3.434
  471   3HD1  LEU  70          3HD1      LEU  70 -13.340  -7.787  -3.792
  472   1HD2  LEU  70          1HD2      LEU  70 -10.387  -8.556  -1.361
  473   2HD2  LEU  70          2HD2      LEU  70 -11.149  -9.797  -2.356
  474   3HD2  LEU  70          3HD2      LEU  70 -10.642  -8.273  -3.083
  475    H    LEU  71           H        LEU  71 -11.190  -7.182   2.149
  476    HA   LEU  71           HA       LEU  71  -9.364  -9.363   2.177
  477   1HB   LEU  71          1HB       LEU  71  -9.565  -6.702   3.415
  478   2HB   LEU  71          2HB       LEU  71  -8.683  -7.883   4.364
  479    HG   LEU  71           HG       LEU  71  -7.181  -6.562   2.963
  480   1HD1  LEU  71          1HD1      LEU  71  -7.384  -9.434   2.945
  481   2HD1  LEU  71          2HD1      LEU  71  -6.611  -8.847   1.474
  482   3HD1  LEU  71          3HD1      LEU  71  -5.954  -8.408   3.050
  483   1HD2  LEU  71          1HD2      LEU  71  -8.974  -6.283   1.146
  484   2HD2  LEU  71          2HD2      LEU  71  -7.295  -6.462   0.638
  485   3HD2  LEU  71          3HD2      LEU  71  -8.398  -7.835   0.536
  486    H    GLN  72           H        GLN  72 -12.036  -8.384   4.203
  487    HA   GLN  72           HA       GLN  72 -11.425  -9.975   6.459
  488   1HB   GLN  72          1HB       GLN  72 -13.885  -8.637   5.415
  489   2HB   GLN  72          2HB       GLN  72 -14.049  -9.812   6.710
  490   1HG   GLN  72          1HG       GLN  72 -11.936  -8.111   7.442
  491   2HG   GLN  72          2HG       GLN  72 -13.231  -7.079   6.838
  492   1HE2  GLN  72          2HE2      GLN  72 -12.865  -9.975   8.864
  493   2HE2  GLN  72          1HE2      GLN  72 -13.960  -9.458  10.097
  494    H    SER  73           H        SER  73 -12.932 -10.665   3.397
  495    HA   SER  73           HA       SER  73 -13.948 -13.236   4.255
  496   1HB   SER  73          1HB       SER  73 -15.103 -13.284   2.284
  497   2HB   SER  73          2HB       SER  73 -14.795 -11.548   2.344
  498    HG   SER  73           HG       SER  73 -12.733 -12.273   1.176
  499    H    THR  74           H        THR  74 -10.951 -12.391   4.041
  500    HA   THR  74           HA       THR  74  -9.963 -14.423   2.209
  501    HB   THR  74           HB       THR  74  -7.755 -13.556   2.710
  502    HG1  THR  74           HG1      THR  74  -7.873 -13.111   4.869
  503   1HG2  THR  74          1HG2      THR  74  -9.817 -11.424   2.274
  504   2HG2  THR  74          2HG2      THR  74  -8.085 -11.095   2.255
  505   3HG2  THR  74          3HG2      THR  74  -8.782 -12.213   1.084
  506    H    GLY  75           H        GLY  75 -10.604 -14.014   5.572
  507   1HA   GLY  75          1HA       GLY  75 -10.700 -15.714   7.169
  508   2HA   GLY  75          2HA       GLY  75  -9.839 -16.771   6.061
  509    H    GLU  76           H        GLU  76  -8.580 -13.612   6.693
  510    HA   GLU  76           HA       GLU  76  -6.651 -14.709   8.614
  511   1HB   GLU  76          1HB       GLU  76  -6.082 -13.438   5.971
  512   2HB   GLU  76          2HB       GLU  76  -4.965 -13.161   7.300
  513   1HG   GLU  76          1HG       GLU  76  -4.965 -15.727   7.539
  514   2HG   GLU  76          2HG       GLU  76  -5.644 -15.719   5.912
  515    HA   PRO  77           HA       PRO  77  -7.501 -11.024  10.872
  516   1HB   PRO  77          1HB       PRO  77  -5.158 -10.806  12.261
  517   2HB   PRO  77          2HB       PRO  77  -6.437 -11.952  12.673
  518   1HG   PRO  77          1HG       PRO  77  -3.905 -12.405  11.148
  519   2HG   PRO  77          2HG       PRO  77  -4.675 -13.431  12.373
  520   1HD   PRO  77          1HD       PRO  77  -4.875 -13.945   9.729
  521   2HD   PRO  77          2HD       PRO  77  -6.188 -14.311  10.866
  522    H    MET  78           H        MET  78  -7.322  -8.892  10.503
  523    HA   MET  78           HA       MET  78  -5.291  -7.999   8.609
  524   1HB   MET  78          1HB       MET  78  -7.333  -6.104   9.621
  525   2HB   MET  78          2HB       MET  78  -6.737  -6.349   7.986
  526   1HG   MET  78          1HG       MET  78  -8.055  -8.448   7.882
  527   2HG   MET  78          2HG       MET  78  -8.733  -8.047   9.458
  528   1HE   MET  78          1HE       MET  78  -8.319  -4.740   8.419
  529   2HE   MET  78          2HE       MET  78 -10.009  -4.325   8.134
  530   3HE   MET  78          3HE       MET  78  -9.544  -5.164   9.614
  531    H    THR  79           H        THR  79  -4.826  -5.464   9.089
  532    HA   THR  79           HA       THR  79  -4.025  -5.167  11.892
  533    HB   THR  79           HB       THR  79  -1.826  -4.160  10.817
  534    HG1  THR  79           HG1      THR  79  -2.685  -6.079   8.917
  535   1HG2  THR  79          1HG2      THR  79  -2.378  -7.055  11.338
  536   2HG2  THR  79          2HG2      THR  79  -0.777  -6.472  10.884
  537   3HG2  THR  79          3HG2      THR  79  -1.543  -5.884  12.360
  538    H    ALA  80           H        ALA  80  -2.983  -2.862  12.141
  539    HA   ALA  80           HA       ALA  80  -4.975  -1.005  11.181
  540   1HB   ALA  80          1HB       ALA  80  -2.604  -0.622  13.001
  541   2HB   ALA  80          2HB       ALA  80  -3.784   0.630  12.610
  542   3HB   ALA  80          3HB       ALA  80  -4.290  -0.821  13.478
  543    H    GLY  81           H        GLY  81  -4.760  -0.325   9.144
  544   1HA   GLY  81          1HA       GLY  81  -3.664   1.405   7.828
  545   2HA   GLY  81          2HA       GLY  81  -2.127   0.752   8.358
  546    H    THR  82           H        THR  82  -4.574  -1.513   7.556
  547    HA   THR  82           HA       THR  82  -3.013  -2.430   5.304
  548    HB   THR  82           HB       THR  82  -5.583  -3.755   5.827
  549    HG1  THR  82           HG1      THR  82  -3.585  -3.951   7.809
  550   1HG2  THR  82          1HG2      THR  82  -2.764  -4.521   5.361
  551   2HG2  THR  82          2HG2      THR  82  -3.798  -5.651   6.234
  552   3HG2  THR  82          3HG2      THR  82  -4.243  -5.121   4.611
  553    H    ARG  83           H        ARG  83  -3.283  -1.421   3.427
  554    HA   ARG  83           HA       ARG  83  -6.006  -1.087   2.397
  555   1HB   ARG  83          1HB       ARG  83  -4.475   1.055   3.298
  556   2HB   ARG  83          2HB       ARG  83  -4.245   1.076   1.555
  557   1HG   ARG  83          1HG       ARG  83  -6.761   1.422   3.131
  558   2HG   ARG  83          2HG       ARG  83  -6.079   2.452   1.870
  559   1HD   ARG  83          1HD       ARG  83  -6.469   0.053   0.586
  560   2HD   ARG  83          2HD       ARG  83  -7.863   0.158   1.657
  561    HE   ARG  83           HE       ARG  83  -7.706   2.611   0.444
  562   1HH1  ARG  83          1HH1      ARG  83  -8.000  -0.695  -0.593
  563   2HH1  ARG  83          2HH1      ARG  83  -8.844  -0.303  -2.054
  564   1HH2  ARG  83          1HH2      ARG  83  -8.816   3.150  -1.476
  565   2HH2  ARG  83          2HH2      ARG  83  -9.309   1.890  -2.557
  566    H    LEU  84           H        LEU  84  -6.224  -1.727   0.318
  567    HA   LEU  84           HA       LEU  84  -4.461  -3.289  -1.007
  568   1HB   LEU  84          1HB       LEU  84  -6.448  -1.355  -2.193
  569   2HB   LEU  84          2HB       LEU  84  -5.600  -2.564  -3.137
  570    HG   LEU  84           HG       LEU  84  -7.851  -2.881  -1.237
  571   1HD1  LEU  84          1HD1      LEU  84  -7.023  -3.825  -3.919
  572   2HD1  LEU  84          2HD1      LEU  84  -8.062  -4.886  -2.967
  573   3HD1  LEU  84          3HD1      LEU  84  -8.589  -3.247  -3.351
  574   1HD2  LEU  84          1HD2      LEU  84  -6.004  -4.136  -0.158
  575   2HD2  LEU  84          2HD2      LEU  84  -7.320  -5.168  -0.716
  576   3HD2  LEU  84          3HD2      LEU  84  -5.821  -5.073  -1.641
  577    H    SER  85           H        SER  85  -3.018  -2.997  -2.788
  578    HA   SER  85           HA       SER  85  -1.419  -0.589  -2.501
  579   1HB   SER  85          1HB       SER  85   0.220  -2.091  -2.740
  580   2HB   SER  85          2HB       SER  85  -0.928  -3.339  -3.212
  581    HG   SER  85           HG       SER  85   0.670  -1.712  -4.777
  582    H    CYS  86           H        CYS  86  -3.533  -2.091  -4.838
  583    HA   CYS  86           HA       CYS  86  -2.830  -0.027  -6.809
  584   1HB   CYS  86          1HB       CYS  86  -3.678  -1.429  -8.501
  585   2HB   CYS  86          2HB       CYS  86  -2.809  -2.511  -7.422
  586    H    GLN  87           H        GLN  87  -4.600   0.258  -4.386
  587    HA   GLN  87           HA       GLN  87  -6.957   1.261  -5.834
  588   1HB   GLN  87          1HB       GLN  87  -6.954  -0.792  -3.942
  589   2HB   GLN  87          2HB       GLN  87  -7.542   0.621  -3.080
  590   1HG   GLN  87          1HG       GLN  87  -8.696  -0.651  -5.539
  591   2HG   GLN  87          2HG       GLN  87  -9.434  -0.492  -3.945
  592   1HE2  GLN  87          2HE2      GLN  87 -10.813   1.108  -3.684
  593   2HE2  GLN  87          1HE2      GLN  87 -10.928   2.524  -4.668
  594    H    VAL  88           H        VAL  88  -4.452   1.888  -3.542
  595    HA   VAL  88           HA       VAL  88  -5.800   4.293  -2.579
  596    HB   VAL  88           HB       VAL  88  -3.339   2.794  -1.731
  597   1HG1  VAL  88          1HG1      VAL  88  -2.765   5.190  -1.828
  598   2HG1  VAL  88          2HG1      VAL  88  -4.104   5.529  -0.730
  599   3HG1  VAL  88          3HG1      VAL  88  -2.748   4.539  -0.188
  600   1HG2  VAL  88          1HG2      VAL  88  -5.568   2.152  -0.870
  601   2HG2  VAL  88          2HG2      VAL  88  -4.445   2.660   0.392
  602   3HG2  VAL  88          3HG2      VAL  88  -5.715   3.757  -0.152
  603    H    PHE  89           H        PHE  89  -5.623   5.971  -3.982
  604    HA   PHE  89           HA       PHE  89  -3.062   6.284  -5.378
  605   1HB   PHE  89          1HB       PHE  89  -5.692   7.581  -6.046
  606   2HB   PHE  89          2HB       PHE  89  -4.236   7.585  -7.034
  607    HD1  PHE  89           HD1      PHE  89  -3.826   4.581  -5.929
  608    HD2  PHE  89           HD2      PHE  89  -6.787   6.661  -8.165
  609    HE1  PHE  89           HE1      PHE  89  -4.538   2.450  -6.943
  610    HE2  PHE  89           HE2      PHE  89  -7.507   4.540  -9.202
  611    HZ   PHE  89           HZ       PHE  89  -6.378   2.429  -8.593
  612    H    ILE  90           H        ILE  90  -1.878   8.027  -5.303
  613    HA   ILE  90           HA       ILE  90  -1.753   9.591  -3.060
  614    HB   ILE  90           HB       ILE  90  -0.652  10.092  -5.817
  615   1HG1  ILE  90          1HG1      ILE  90  -0.083   8.033  -4.214
  616   2HG1  ILE  90          2HG1      ILE  90   1.150   8.821  -5.197
  617   1HG2  ILE  90          1HG2      ILE  90  -0.193  11.487  -3.213
  618   2HG2  ILE  90          2HG2      ILE  90   1.064  11.394  -4.439
  619   3HG2  ILE  90          3HG2      ILE  90  -0.465  12.191  -4.799
  620   1HD1  ILE  90          1HD1      ILE  90   1.747  10.242  -3.262
  621   2HD1  ILE  90          2HD1      ILE  90   0.572   9.329  -2.296
  622   3HD1  ILE  90          3HD1      ILE  90   1.977   8.508  -2.971
  623    H    ASP  91           H        ASP  91  -2.269  11.618  -2.518
  624    HA   ASP  91           HA       ASP  91  -3.617  13.475  -4.207
  625   1HB   ASP  91          1HB       ASP  91  -5.513  13.578  -2.459
  626   2HB   ASP  91          2HB       ASP  91  -5.529  12.200  -3.550
  627    HA   PRO  92           HA       PRO  92  -1.130  16.255  -1.845
  628   1HB   PRO  92          1HB       PRO  92  -3.809  17.518  -1.301
  629   2HB   PRO  92          2HB       PRO  92  -2.266  18.300  -1.679
  630   1HG   PRO  92          1HG       PRO  92  -4.069  17.947  -3.601
  631   2HG   PRO  92          2HG       PRO  92  -2.349  17.672  -3.931
  632   1HD   PRO  92          1HD       PRO  92  -4.547  15.725  -3.642
  633   2HD   PRO  92          2HD       PRO  92  -3.033  15.573  -4.545
  634    H    SER  93           H        SER  93  -3.999  14.782  -0.592
  635    HA   SER  93           HA       SER  93  -3.669  15.235   2.168
  636   1HB   SER  93          1HB       SER  93  -5.072  12.881   1.884
  637   2HB   SER  93          2HB       SER  93  -5.771  14.496   1.891
  638    HG   SER  93           HG       SER  93  -6.296  13.114   0.035
  639    H    MET  94           H        MET  94  -2.103  13.014   0.023
  640    HA   MET  94           HA       MET  94  -0.922  11.626   2.320
  641   1HB   MET  94          1HB       MET  94  -1.831  10.338  -0.262
  642   2HB   MET  94          2HB       MET  94  -1.009   9.518   1.056
  643   1HG   MET  94          1HG       MET  94  -2.870   9.359   2.293
  644   2HG   MET  94          2HG       MET  94  -3.454  10.947   1.812
  645   1HE   MET  94          1HE       MET  94  -2.370   7.815  -0.192
  646   2HE   MET  94          2HE       MET  94  -3.666   7.673  -1.379
  647   3HE   MET  94          3HE       MET  94  -2.587   9.067  -1.414
  648    H    ASP  95           H        ASP  95   0.315  13.713   1.261
  649    HA   ASP  95           HA       ASP  95   2.138  12.828  -0.756
  650   1HB   ASP  95          1HB       ASP  95   1.815  15.503   0.618
  651   2HB   ASP  95          2HB       ASP  95   2.910  15.182  -0.707
  652    H    GLY  96           H        GLY  96   4.198  12.209  -0.306
  653   1HA   GLY  96          1HA       GLY  96   6.096  11.817   1.002
  654   2HA   GLY  96          2HA       GLY  96   5.435  12.922   2.202
  655    H    LEU  97           H        LEU  97   3.619  10.327   0.791
  656    HA   LEU  97           HA       LEU  97   2.895   9.318   3.333
  657   1HB   LEU  97          1HB       LEU  97   1.238   8.240   2.270
  658   2HB   LEU  97          2HB       LEU  97   1.658   9.344   0.978
  659    HG   LEU  97           HG       LEU  97   3.288   7.077   0.604
  660   1HD1  LEU  97          1HD1      LEU  97   1.316   6.189   2.187
  661   2HD1  LEU  97          2HD1      LEU  97   0.526   6.045   0.617
  662   3HD1  LEU  97          3HD1      LEU  97   2.052   5.214   0.915
  663   1HD2  LEU  97          1HD2      LEU  97   2.196   8.658  -1.045
  664   2HD2  LEU  97          2HD2      LEU  97   2.177   6.949  -1.479
  665   3HD2  LEU  97          3HD2      LEU  97   0.723   7.712  -0.832
  666    H    ILE  98           H        ILE  98   3.388   7.471   4.354
  667    HA   ILE  98           HA       ILE  98   5.785   6.123   3.352
  668    HB   ILE  98           HB       ILE  98   4.794   6.256   6.177
  669   1HG1  ILE  98          1HG1      ILE  98   6.764   7.663   6.579
  670   2HG1  ILE  98          2HG1      ILE  98   7.166   7.576   4.863
  671   1HG2  ILE  98          1HG2      ILE  98   6.308   4.274   5.089
  672   2HG2  ILE  98          2HG2      ILE  98   7.538   5.386   5.694
  673   3HG2  ILE  98          3HG2      ILE  98   6.319   4.738   6.791
  674   1HD1  ILE  98          1HD1      ILE  98   4.451   8.427   5.370
  675   2HD1  ILE  98          2HD1      ILE  98   5.660   9.519   6.046
  676   3HD1  ILE  98          3HD1      ILE  98   5.681   9.123   4.328
  677    H    VAL  99           H        VAL  99   5.674   4.145   2.711
  678    HA   VAL  99           HA       VAL  99   3.409   2.536   3.558
  679    HB   VAL  99           HB       VAL  99   4.859   1.724   1.158
  680   1HG1  VAL  99          1HG1      VAL  99   2.194   1.583   2.408
  681   2HG1  VAL  99          2HG1      VAL  99   2.252   1.547   0.639
  682   3HG1  VAL  99          3HG1      VAL  99   3.136   0.337   1.574
  683   1HG2  VAL  99          1HG2      VAL  99   3.607   4.352   1.444
  684   2HG2  VAL  99          2HG2      VAL  99   4.672   3.741   0.181
  685   3HG2  VAL  99          3HG2      VAL  99   2.945   3.394   0.120
  686    H    ARG 100           H        ARG 100   3.846   0.122   3.489
  687    HA   ARG 100           HA       ARG 100   6.554  -0.768   3.787
  688   1HB   ARG 100          1HB       ARG 100   5.024  -1.296   6.263
  689   2HB   ARG 100          2HB       ARG 100   6.747  -1.023   6.045
  690   1HG   ARG 100          1HG       ARG 100   6.365   1.366   5.859
  691   2HG   ARG 100          2HG       ARG 100   4.625   1.115   6.005
  692   1HD   ARG 100          1HD       ARG 100   6.724   1.125   8.059
  693   2HD   ARG 100          2HD       ARG 100   5.014   1.529   8.182
  694    HE   ARG 100           HE       ARG 100   6.223  -0.949   8.845
  695   1HH1  ARG 100          1HH1      ARG 100   3.330   0.435   7.484
  696   2HH1  ARG 100          2HH1      ARG 100   2.312  -0.874   7.985
  697   1HH2  ARG 100          1HH2      ARG 100   4.895  -2.674   9.512
  698   2HH2  ARG 100          2HH2      ARG 100   3.203  -2.643   9.141
  699    H    VAL 101           H        VAL 101   6.687  -3.119   4.132
  700    HA   VAL 101           HA       VAL 101   4.251  -4.450   3.169
  701    HB   VAL 101           HB       VAL 101   7.124  -5.389   3.156
  702   1HG1  VAL 101          1HG1      VAL 101   5.443  -7.210   3.408
  703   2HG1  VAL 101          2HG1      VAL 101   4.734  -6.699   1.875
  704   3HG1  VAL 101          3HG1      VAL 101   6.392  -7.301   1.924
  705   1HG2  VAL 101          1HG2      VAL 101   6.269  -3.515   1.559
  706   2HG2  VAL 101          2HG2      VAL 101   7.238  -4.842   0.918
  707   3HG2  VAL 101          3HG2      VAL 101   5.486  -4.852   0.717
  708    HA   PRO 102           HA       PRO 102   3.434  -6.362   7.075
  709   1HB   PRO 102          1HB       PRO 102   2.536  -8.802   6.100
  710   2HB   PRO 102          2HB       PRO 102   1.544  -7.359   6.322
  711   1HG   PRO 102          1HG       PRO 102   2.835  -8.412   3.849
  712   2HG   PRO 102          2HG       PRO 102   1.252  -7.637   4.047
  713   1HD   PRO 102          1HD       PRO 102   3.330  -6.299   3.018
  714   2HD   PRO 102          2HD       PRO 102   2.167  -5.500   4.095
  715    H    LEU 103           H        LEU 103   3.635  -8.823   7.895
  716    HA   LEU 103           HA       LEU 103   6.492  -9.431   7.618
  717   1HB   LEU 103          1HB       LEU 103   6.038  -9.006   9.859
  718   2HB   LEU 103          2HB       LEU 103   4.495  -9.837   9.809
  719    HG   LEU 103           HG       LEU 103   6.464 -11.780   9.246
  720   1HD1  LEU 103          1HD1      LEU 103   7.507  -9.683  10.903
  721   2HD1  LEU 103          2HD1      LEU 103   7.368 -11.179  11.827
  722   3HD1  LEU 103          3HD1      LEU 103   8.297 -11.152  10.327
  723   1HD2  LEU 103          1HD2      LEU 103   4.221 -11.403  10.878
  724   2HD2  LEU 103          2HD2      LEU 103   5.118 -12.898  10.611
  725   3HD2  LEU 103          3HD2      LEU 103   5.539 -11.847  11.963
  726    HA   PRO 104           HA       PRO 104   5.249 -13.254   5.688
  727   1HB   PRO 104          1HB       PRO 104   7.659 -13.913   4.745
  728   2HB   PRO 104          2HB       PRO 104   6.766 -12.537   4.087
  729   1HG   PRO 104          1HG       PRO 104   9.117 -12.576   5.897
  730   2HG   PRO 104          2HG       PRO 104   8.645 -11.371   4.689
  731   1HD   PRO 104          1HD       PRO 104   8.208 -11.261   7.495
  732   2HD   PRO 104          2HD       PRO 104   7.597 -10.135   6.270
  733    H    ALA 105           H        ALA 105   4.800 -14.988   6.915
  734    HA   ALA 105           HA       ALA 105   6.999 -16.398   8.220
  735   1HB   ALA 105          1HB       ALA 105   5.476 -14.763   9.745
  736   2HB   ALA 105          2HB       ALA 105   4.571 -16.272   9.872
  737   3HB   ALA 105          3HB       ALA 105   6.271 -16.220  10.340
  Start of MODEL   15
    1   2H    PRO   1          2H        PRO   1   4.525  15.030  -5.557
    2   1H    PRO   1          1H        PRO   1   5.244  13.557  -5.740
    3    HA   PRO   1           HA       PRO   1   5.053  15.098  -3.550
    4   1HB   PRO   1          1HB       PRO   1   3.969  12.440  -2.838
    5   2HB   PRO   1          2HB       PRO   1   3.671  14.001  -2.109
    6   1HG   PRO   1          1HG       PRO   1   1.825  12.998  -3.594
    7   2HG   PRO   1          2HG       PRO   1   2.274  14.696  -3.845
    8   1HD   PRO   1          1HD       PRO   1   3.258  12.278  -5.358
    9   2HD   PRO   1          2HD       PRO   1   2.484  13.722  -6.016
   10    H    ARG   2           H        ARG   2   5.664  13.301  -1.659
   11    HA   ARG   2           HA       ARG   2   8.064  11.907  -2.711
   12   1HB   ARG   2          1HB       ARG   2   8.548  13.936  -1.278
   13   2HB   ARG   2          2HB       ARG   2   7.758  13.104   0.054
   14   1HG   ARG   2          1HG       ARG   2   9.632  12.038   0.544
   15   2HG   ARG   2          2HG       ARG   2   9.718  11.374  -1.088
   16   1HD   ARG   2          1HD       ARG   2  11.620  12.566  -1.215
   17   2HD   ARG   2          2HD       ARG   2  10.531  13.916  -1.532
   18    HE   ARG   2           HE       ARG   2  11.105  14.801   0.494
   19   1HH1  ARG   2          1HH1      ARG   2  12.010  11.436   0.434
   20   2HH1  ARG   2          2HH1      ARG   2  12.856  11.503   1.945
   21   1HH2  ARG   2          1HH2      ARG   2  12.216  14.898   2.485
   22   2HH2  ARG   2          2HH2      ARG   2  12.970  13.469   3.111
   23    H    VAL   3           H        VAL   3   8.638   9.881  -1.339
   24    HA   VAL   3           HA       VAL   3   6.477   9.000   0.327
   25    HB   VAL   3           HB       VAL   3   6.614   8.297  -2.500
   26   1HG1  VAL   3          1HG1      VAL   3   7.314   6.175  -1.129
   27   2HG1  VAL   3          2HG1      VAL   3   5.586   6.125  -0.809
   28   3HG1  VAL   3          3HG1      VAL   3   6.169   6.118  -2.475
   29   1HG2  VAL   3          1HG2      VAL   3   4.681   8.633  -0.337
   30   2HG2  VAL   3          2HG2      VAL   3   4.637   9.191  -2.019
   31   3HG2  VAL   3          3HG2      VAL   3   4.259   7.510  -1.637
   32    H    VAL   4           H        VAL   4   6.753   6.752   1.060
   33    HA   VAL   4           HA       VAL   4   9.435   5.732   0.840
   34    HB   VAL   4           HB       VAL   4   8.484   6.957   3.397
   35   1HG1  VAL   4          1HG1      VAL   4   9.945   4.439   3.089
   36   2HG1  VAL   4          2HG1      VAL   4  10.775   5.625   4.099
   37   3HG1  VAL   4          3HG1      VAL   4   9.138   5.112   4.506
   38   1HG2  VAL   4          1HG2      VAL   4  10.822   7.139   1.577
   39   2HG2  VAL   4          2HG2      VAL   4   9.905   8.424   2.363
   40   3HG2  VAL   4          3HG2      VAL   4  11.067   7.475   3.291
   41    H    PHE   5           H        PHE   5   9.157   3.767   0.418
   42    HA   PHE   5           HA       PHE   5   6.923   2.202   1.509
   43   1HB   PHE   5          1HB       PHE   5   9.029   1.693  -0.581
   44   2HB   PHE   5          2HB       PHE   5   7.922   0.455  -0.035
   45    HD1  PHE   5           HD1      PHE   5   6.724   3.971  -0.595
   46    HD2  PHE   5           HD2      PHE   5   7.160   0.038  -2.166
   47    HE1  PHE   5           HE1      PHE   5   5.257   4.535  -2.459
   48    HE2  PHE   5           HE2      PHE   5   5.686   0.572  -3.982
   49    HZ   PHE   5           HZ       PHE   5   4.693   2.823  -4.155
   50    H    ILE   6           H        ILE   6   7.653  -0.169   1.930
   51    HA   ILE   6           HA       ILE   6  10.234  -0.494   3.138
   52    HB   ILE   6           HB       ILE   6   7.873  -1.277   4.779
   53   1HG1  ILE   6          1HG1      ILE   6   7.866   1.211   4.171
   54   2HG1  ILE   6          2HG1      ILE   6   7.791   0.811   5.880
   55   1HG2  ILE   6          1HG2      ILE   6  10.778  -1.083   5.003
   56   2HG2  ILE   6          2HG2      ILE   6   9.874  -0.608   6.441
   57   3HG2  ILE   6          3HG2      ILE   6   9.653  -2.214   5.749
   58   1HD1  ILE   6          1HD1      ILE   6  10.502   1.089   5.031
   59   2HD1  ILE   6          2HD1      ILE   6   9.565   2.504   4.558
   60   3HD1  ILE   6          3HD1      ILE   6   9.613   2.002   6.249
   61    H    ASP   7           H        ASP   7  10.588  -2.790   3.787
   62    HA   ASP   7           HA       ASP   7   8.774  -4.808   3.012
   63   1HB   ASP   7          1HB       ASP   7   9.733  -3.746   0.802
   64   2HB   ASP   7          2HB       ASP   7  11.118  -4.773   1.164
   65    H    GLU   8           H        GLU   8  10.000  -6.964   2.771
   66    HA   GLU   8           HA       GLU   8  11.730  -7.179   5.086
   67   1HB   GLU   8          1HB       GLU   8   9.694  -8.726   4.182
   68   2HB   GLU   8          2HB       GLU   8  11.071  -9.595   3.525
   69   1HG   GLU   8          1HG       GLU   8  11.607  -8.917   6.243
   70   2HG   GLU   8          2HG       GLU   8  10.027  -9.692   6.131
   71    H    GLN   9           H        GLN   9  12.195  -6.637   1.867
   72    HA   GLN   9           HA       GLN   9  14.543  -8.327   1.560
   73   1HB   GLN   9          1HB       GLN   9  12.824  -6.729  -0.216
   74   2HB   GLN   9          2HB       GLN   9  14.534  -6.665  -0.616
   75   1HG   GLN   9          1HG       GLN   9  13.130  -9.273  -0.175
   76   2HG   GLN   9          2HG       GLN   9  13.100  -8.456  -1.736
   77   1HE2  GLN   9          2HE2      GLN   9  14.584  -9.122  -3.098
   78   2HE2  GLN   9          1HE2      GLN   9  16.139  -9.755  -2.691
   79    H    SER  10           H        SER  10  13.716  -4.929   2.000
   80    HA   SER  10           HA       SER  10  16.551  -4.410   2.579
   81   1HB   SER  10          1HB       SER  10  16.636  -3.115   0.744
   82   2HB   SER  10          2HB       SER  10  14.886  -3.174   0.530
   83    HG   SER  10           HG       SER  10  14.656  -1.423   1.802
   84    H    GLY  11           H        GLY  11  13.476  -4.452   3.783
   85   1HA   GLY  11          1HA       GLY  11  12.545  -3.582   5.704
   86   2HA   GLY  11          2HA       GLY  11  14.180  -3.162   6.178
   87    H    GLU  12           H        GLU  12  13.114  -1.889   3.218
   88    HA   GLU  12           HA       GLU  12  11.675   0.357   3.826
   89   1HB   GLU  12          1HB       GLU  12  13.241   1.225   5.330
   90   2HB   GLU  12          2HB       GLU  12  14.608   0.746   4.329
   91   1HG   GLU  12          1HG       GLU  12  14.070   2.443   2.706
   92   2HG   GLU  12          2HG       GLU  12  12.610   2.872   3.592
   93    H    TYR  13           H        TYR  13  11.306   1.615   2.085
   94    HA   TYR  13           HA       TYR  13  13.028   1.376  -0.239
   95   1HB   TYR  13          1HB       TYR  13  10.200   0.385  -0.086
   96   2HB   TYR  13          2HB       TYR  13  10.937   0.833  -1.624
   97    HD1  TYR  13           HD1      TYR  13  11.435  -1.334   1.351
   98    HD2  TYR  13           HD2      TYR  13  12.264  -0.678  -2.754
   99    HE1  TYR  13           HE1      TYR  13  12.517  -3.547   1.229
  100    HE2  TYR  13           HE2      TYR  13  13.329  -2.867  -2.920
  101    HH   TYR  13           HH       TYR  13  14.153  -4.620  -1.725
  102    H    ALA  14           H        ALA  14  13.122   3.607   0.904
  103    HA   ALA  14           HA       ALA  14  11.150   5.518   0.772
  104   1HB   ALA  14          1HB       ALA  14  14.124   5.667   0.615
  105   2HB   ALA  14          2HB       ALA  14  13.161   7.123   0.373
  106   3HB   ALA  14          3HB       ALA  14  13.035   6.225   1.886
  107    H    VAL  15           H        VAL  15  10.405   6.971  -0.715
  108    HA   VAL  15           HA       VAL  15  11.497   7.185  -3.335
  109    HB   VAL  15           HB       VAL  15  10.362   4.940  -3.292
  110   1HG1  VAL  15          1HG1      VAL  15   7.889   6.656  -3.189
  111   2HG1  VAL  15          2HG1      VAL  15   7.909   4.986  -3.797
  112   3HG1  VAL  15          3HG1      VAL  15   8.358   5.317  -2.128
  113   1HG2  VAL  15          1HG2      VAL  15  10.425   6.974  -5.296
  114   2HG2  VAL  15          2HG2      VAL  15  10.600   5.238  -5.477
  115   3HG2  VAL  15          3HG2      VAL  15   8.993   5.962  -5.507
  116    H    ASP  16           H        ASP  16   9.037   7.728  -4.578
  117    HA   ASP  16           HA       ASP  16   7.703   9.826  -3.212
  118   1HB   ASP  16          1HB       ASP  16   9.018  10.547  -5.763
  119   2HB   ASP  16          2HB       ASP  16   8.439  11.603  -4.488
  120    H    ALA  17           H        ALA  17   6.053  10.710  -4.623
  121    HA   ALA  17           HA       ALA  17   5.421   9.020  -6.919
  122   1HB   ALA  17          1HB       ALA  17   4.492   8.479  -4.466
  123   2HB   ALA  17          2HB       ALA  17   3.230   9.576  -5.085
  124   3HB   ALA  17          3HB       ALA  17   3.628   8.094  -5.971
  125    H    GLN  18           H        GLN  18   3.044   9.853  -7.621
  126    HA   GLN  18           HA       GLN  18   3.005  12.781  -7.612
  127   1HB   GLN  18          1HB       GLN  18   2.535  11.372 -10.209
  128   2HB   GLN  18          2HB       GLN  18   3.050  13.027  -9.917
  129   1HG   GLN  18          1HG       GLN  18   5.255  12.428  -9.598
  130   2HG   GLN  18          2HG       GLN  18   4.850  10.760  -9.196
  131   1HE2  GLN  18          2HE2      GLN  18   6.538  10.245 -10.742
  132   2HE2  GLN  18          1HE2      GLN  18   6.156  10.194 -12.425
  133    H    ASP  19           H        ASP  19   0.993  13.578  -7.377
  134    HA   ASP  19           HA       ASP  19  -1.169  12.238  -6.573
  135   1HB   ASP  19          1HB       ASP  19  -1.563  14.475  -8.514
  136   2HB   ASP  19          2HB       ASP  19  -2.524  14.080  -7.103
  137    H    GLY  20           H        GLY  20  -1.995  10.447  -7.287
  138   1HA   GLY  20          1HA       GLY  20  -3.670   9.641  -8.930
  139   2HA   GLY  20          2HA       GLY  20  -2.576  10.233 -10.172
  140    H    GLN  21           H        GLN  21  -0.617   9.023  -7.797
  141    HA   GLN  21           HA       GLN  21  -0.558   6.387  -9.120
  142   1HB   GLN  21          1HB       GLN  21   1.683   7.999  -7.899
  143   2HB   GLN  21          2HB       GLN  21   1.853   6.332  -8.431
  144   1HG   GLN  21          1HG       GLN  21   1.716   6.880 -10.654
  145   2HG   GLN  21          2HG       GLN  21   0.816   8.358 -10.339
  146   1HE2  GLN  21          2HE2      GLN  21   3.530   7.786  -8.363
  147   2HE2  GLN  21          1HE2      GLN  21   4.597   8.909  -9.114
  148    H    SER  22           H        SER  22  -0.440   4.554  -7.903
  149    HA   SER  22           HA       SER  22  -1.211   4.838  -5.114
  150   1HB   SER  22          1HB       SER  22  -2.203   2.792  -5.338
  151   2HB   SER  22          2HB       SER  22  -2.065   3.142  -7.058
  152    HG   SER  22           HG       SER  22  -0.736   1.295  -5.519
  153    H    LEU  23           H        LEU  23  -0.254   2.724  -3.814
  154    HA   LEU  23           HA       LEU  23   2.642   3.260  -3.762
  155   1HB   LEU  23          1HB       LEU  23   0.800   1.901  -1.797
  156   2HB   LEU  23          2HB       LEU  23   2.544   1.926  -1.618
  157    HG   LEU  23           HG       LEU  23   1.874   3.673  -0.259
  158   1HD1  LEU  23          1HD1      LEU  23   3.385   4.267  -2.391
  159   2HD1  LEU  23          2HD1      LEU  23   2.070   5.419  -2.624
  160   3HD1  LEU  23          3HD1      LEU  23   2.994   5.424  -1.122
  161   1HD2  LEU  23          1HD2      LEU  23  -0.514   3.552  -1.166
  162   2HD2  LEU  23          2HD2      LEU  23   0.065   5.118  -0.599
  163   3HD2  LEU  23          3HD2      LEU  23   0.001   4.774  -2.327
  164    H    MET  24           H        MET  24   1.109   1.486  -5.677
  165    HA   MET  24           HA       MET  24   2.629  -0.992  -5.223
  166   1HB   MET  24          1HB       MET  24   1.021  -2.166  -6.507
  167   2HB   MET  24          2HB       MET  24   0.093  -1.123  -5.438
  168   1HG   MET  24          1HG       MET  24  -1.014  -0.635  -7.324
  169   2HG   MET  24          2HG       MET  24   0.318   0.493  -7.564
  170   1HE   MET  24          1HE       MET  24  -1.272   0.005  -9.860
  171   2HE   MET  24          2HE       MET  24   0.318   0.612 -10.322
  172   3HE   MET  24          3HE       MET  24  -0.375  -0.774 -11.164
  173    H    GLU  25           H        GLU  25   2.063   1.718  -7.272
  174    HA   GLU  25           HA       GLU  25   3.699   0.639  -9.421
  175   1HB   GLU  25          1HB       GLU  25   1.788   1.837 -10.205
  176   2HB   GLU  25          2HB       GLU  25   2.116   3.190  -9.132
  177   1HG   GLU  25          1HG       GLU  25   3.187   4.184 -10.789
  178   2HG   GLU  25          2HG       GLU  25   4.400   2.903 -10.731
  179    H    VAL  26           H        VAL  26   3.869   3.213  -6.952
  180    HA   VAL  26           HA       VAL  26   6.204   4.388  -7.859
  181    HB   VAL  26           HB       VAL  26   6.357   3.842  -4.976
  182   1HG1  VAL  26          1HG1      VAL  26   7.583   5.470  -6.502
  183   2HG1  VAL  26          2HG1      VAL  26   6.132   6.451  -6.388
  184   3HG1  VAL  26          3HG1      VAL  26   7.031   6.048  -4.935
  185   1HG2  VAL  26          1HG2      VAL  26   3.891   3.959  -5.341
  186   2HG2  VAL  26          2HG2      VAL  26   4.596   5.166  -4.271
  187   3HG2  VAL  26          3HG2      VAL  26   4.148   5.605  -5.923
  188    H    ALA  27           H        ALA  27   5.820   1.718  -5.653
  189    HA   ALA  27           HA       ALA  27   8.137   0.742  -5.040
  190   1HB   ALA  27          1HB       ALA  27   5.651  -0.453  -5.525
  191   2HB   ALA  27          2HB       ALA  27   6.856  -1.477  -6.309
  192   3HB   ALA  27          3HB       ALA  27   6.994  -1.109  -4.586
  193    H    THR  28           H        THR  28   6.839  -0.613  -8.020
  194    HA   THR  28           HA       THR  28   9.162  -1.652  -9.017
  195    HB   THR  28           HB       THR  28   7.993  -2.115 -10.890
  196    HG1  THR  28           HG1      THR  28   6.635  -0.365 -11.874
  197   1HG2  THR  28          1HG2      THR  28   6.262  -2.224  -9.033
  198   2HG2  THR  28          2HG2      THR  28   5.630  -0.722  -9.705
  199   3HG2  THR  28          3HG2      THR  28   5.677  -2.180 -10.696
  200    H    GLN  29           H        GLN  29   8.093   1.649  -9.005
  201    HA   GLN  29           HA       GLN  29  10.155   2.553 -10.815
  202   1HB   GLN  29          1HB       GLN  29   8.402   4.196  -8.989
  203   2HB   GLN  29          2HB       GLN  29   9.347   4.793 -10.346
  204   1HG   GLN  29          1HG       GLN  29   7.737   2.800 -11.427
  205   2HG   GLN  29          2HG       GLN  29   6.696   3.666 -10.297
  206   1HE2  GLN  29          2HE2      GLN  29   5.893   3.894 -12.742
  207   2HE2  GLN  29          1HE2      GLN  29   6.314   5.410 -13.456
  208    H    ASN  30           H        ASN  30   9.752   2.220  -7.382
  209    HA   ASN  30           HA       ASN  30  12.119   3.782  -6.752
  210   1HB   ASN  30          1HB       ASN  30  10.963   2.113  -4.632
  211   2HB   ASN  30          2HB       ASN  30  11.311   3.823  -4.629
  212   1HD2  ASN  30          2HD2      ASN  30   8.914   2.291  -3.765
  213   2HD2  ASN  30          1HD2      ASN  30   7.608   2.982  -4.602
  214    H    GLY  31           H        GLY  31  11.797   0.842  -8.045
  215   1HA   GLY  31          1HA       GLY  31  13.435  -0.812  -8.291
  216   2HA   GLY  31          2HA       GLY  31  14.333  -0.081  -6.964
  217    H    VAL  32           H        VAL  32  11.356  -0.197  -5.823
  218    HA   VAL  32           HA       VAL  32  11.689  -2.068  -3.867
  219    HB   VAL  32           HB       VAL  32   9.035  -1.407  -5.085
  220   1HG1  VAL  32          1HG1      VAL  32   9.916  -2.118  -2.335
  221   2HG1  VAL  32          2HG1      VAL  32   8.456  -1.158  -2.600
  222   3HG1  VAL  32          3HG1      VAL  32   8.579  -2.773  -3.296
  223   1HG2  VAL  32          1HG2      VAL  32  10.878   0.365  -3.559
  224   2HG2  VAL  32          2HG2      VAL  32   9.946   0.710  -5.018
  225   3HG2  VAL  32          3HG2      VAL  32   9.127   0.578  -3.461
  226    HA   PRO  33           HA       PRO  33  11.159  -6.065  -5.611
  227   1HB   PRO  33          1HB       PRO  33   9.393  -6.834  -3.366
  228   2HB   PRO  33          2HB       PRO  33  11.000  -7.439  -3.791
  229   1HG   PRO  33          1HG       PRO  33  10.688  -5.863  -1.653
  230   2HG   PRO  33          2HG       PRO  33  12.090  -5.659  -2.725
  231   1HD   PRO  33          1HD       PRO  33   9.504  -4.150  -2.701
  232   2HD   PRO  33          2HD       PRO  33  11.145  -3.509  -2.677
  233    H    GLY  34           H        GLY  34   8.610  -3.977  -5.496
  234   1HA   GLY  34          1HA       GLY  34   6.415  -4.040  -6.229
  235   2HA   GLY  34          2HA       GLY  34   7.195  -4.810  -7.601
  236    H    ILE  35           H        ILE  35   6.286  -5.810  -4.294
  237    HA   ILE  35           HA       ILE  35   5.397  -8.368  -5.368
  238    HB   ILE  35           HB       ILE  35   5.135  -7.696  -2.474
  239   1HG1  ILE  35          1HG1      ILE  35   7.701  -7.962  -3.997
  240   2HG1  ILE  35          2HG1      ILE  35   7.305  -6.883  -2.664
  241   1HG2  ILE  35          1HG2      ILE  35   4.408  -9.868  -3.466
  242   2HG2  ILE  35          2HG2      ILE  35   6.096 -10.190  -3.863
  243   3HG2  ILE  35          3HG2      ILE  35   5.603 -10.023  -2.178
  244   1HD1  ILE  35          1HD1      ILE  35   7.142  -9.210  -1.377
  245   2HD1  ILE  35          2HD1      ILE  35   8.296  -9.662  -2.631
  246   3HD1  ILE  35          3HD1      ILE  35   8.650  -8.312  -1.553
  247    H    VAL  36           H        VAL  36   3.847  -6.355  -6.297
  248    HA   VAL  36           HA       VAL  36   1.252  -7.065  -5.251
  249    HB   VAL  36           HB       VAL  36   0.637  -4.542  -5.155
  250   1HG1  VAL  36          1HG1      VAL  36   1.364  -6.443  -3.233
  251   2HG1  VAL  36          2HG1      VAL  36   2.146  -4.940  -2.742
  252   3HG1  VAL  36          3HG1      VAL  36   0.402  -4.985  -2.993
  253   1HG2  VAL  36          1HG2      VAL  36   3.603  -4.496  -5.138
  254   2HG2  VAL  36          2HG2      VAL  36   2.454  -3.317  -5.771
  255   3HG2  VAL  36          3HG2      VAL  36   2.765  -3.403  -4.038
  256    H    ALA  37           H        ALA  37   1.476  -7.928  -7.504
  257    HA   ALA  37           HA       ALA  37   0.181  -6.109  -9.340
  258   1HB   ALA  37          1HB       ALA  37   2.866  -7.304 -10.019
  259   2HB   ALA  37          2HB       ALA  37   1.805  -6.478 -11.158
  260   3HB   ALA  37          3HB       ALA  37   2.501  -5.592  -9.802
  261    H    GLU  38           H        GLU  38  -1.291  -7.946  -8.548
  262    HA   GLU  38           HA       GLU  38  -0.891 -10.426 -10.036
  263   1HB   GLU  38          1HB       GLU  38  -1.568 -10.468  -7.629
  264   2HB   GLU  38          2HB       GLU  38  -3.095  -9.729  -8.092
  265   1HG   GLU  38          1HG       GLU  38  -3.323 -12.130  -7.805
  266   2HG   GLU  38          2HG       GLU  38  -3.625 -11.656  -9.477
  267    H    CYS  39           H        CYS  39  -3.350  -7.886  -9.638
  268    HA   CYS  39           HA       CYS  39  -4.593  -8.786 -12.144
  269   1HB   CYS  39          1HB       CYS  39  -6.611  -7.768 -11.442
  270   2HB   CYS  39          2HB       CYS  39  -5.979  -8.591 -10.019
  271    H    GLY  40           H        GLY  40  -2.303  -6.693 -11.230
  272   1HA   GLY  40          1HA       GLY  40  -1.324  -4.936 -12.350
  273   2HA   GLY  40          2HA       GLY  40  -2.547  -5.118 -13.597
  274    H    GLY  41           H        GLY  41  -2.560  -4.189 -10.146
  275   1HA   GLY  41          1HA       GLY  41  -3.859  -2.565  -9.105
  276   2HA   GLY  41          2HA       GLY  41  -2.975  -1.542 -10.228
  277    H    SER  42           H        SER  42  -5.717  -3.815 -10.432
  278    HA   SER  42           HA       SER  42  -7.246  -1.685 -11.764
  279   1HB   SER  42          1HB       SER  42  -7.228  -4.624 -12.496
  280   2HB   SER  42          2HB       SER  42  -8.274  -3.399 -13.216
  281    HG   SER  42           HG       SER  42  -5.974  -4.063 -14.103
  282    H    CYS  43           H        CYS  43  -7.042  -3.287  -9.022
  283    HA   CYS  43           HA       CYS  43  -8.471  -3.806  -7.331
  284   1HB   CYS  43          1HB       CYS  43  -9.409  -1.603  -7.731
  285   2HB   CYS  43          2HB       CYS  43 -10.408  -2.230  -9.037
  286    HG   CYS  43           HG       CYS  43 -11.173  -2.192  -6.159
  287    H    VAL  44           H        VAL  44  -8.091  -5.988  -8.498
  288    HA   VAL  44           HA       VAL  44 -10.706  -7.250  -8.758
  289    HB   VAL  44           HB       VAL  44  -8.598  -7.909 -10.796
  290   1HG1  VAL  44          1HG1      VAL  44 -10.509  -9.470 -10.274
  291   2HG1  VAL  44          2HG1      VAL  44 -11.587  -8.240 -10.933
  292   3HG1  VAL  44          3HG1      VAL  44 -10.361  -8.980 -11.962
  293   1HG2  VAL  44          1HG2      VAL  44 -10.669  -5.741 -10.896
  294   2HG2  VAL  44          2HG2      VAL  44  -8.957  -5.658 -11.309
  295   3HG2  VAL  44          3HG2      VAL  44 -10.078  -6.518 -12.365
  296    H    CYS  45           H        CYS  45  -8.279  -7.183  -6.933
  297    HA   CYS  45           HA       CYS  45  -8.287  -9.977  -6.312
  298   1HB   CYS  45          1HB       CYS  45  -6.102 -10.581  -6.801
  299   2HB   CYS  45          2HB       CYS  45  -6.513  -9.581  -8.190
  300    H    ALA  46           H        ALA  46  -6.397 -10.309  -4.551
  301    HA   ALA  46           HA       ALA  46  -6.284  -7.947  -2.821
  302   1HB   ALA  46          1HB       ALA  46  -8.252  -9.467  -2.248
  303   2HB   ALA  46          2HB       ALA  46  -7.042 -10.626  -1.693
  304   3HB   ALA  46          3HB       ALA  46  -7.155  -9.038  -0.935
  305    H    THR  47           H        THR  47  -4.474  -9.807  -4.492
  306    HA   THR  47           HA       THR  47  -2.686 -10.918  -2.517
  307    HB   THR  47           HB       THR  47  -1.249 -11.363  -4.572
  308    HG1  THR  47           HG1      THR  47  -3.518 -10.841  -6.109
  309   1HG2  THR  47          1HG2      THR  47  -3.830 -12.547  -3.924
  310   2HG2  THR  47          2HG2      THR  47  -3.327 -12.801  -5.596
  311   3HG2  THR  47          3HG2      THR  47  -2.279 -13.312  -4.272
  312    H    CYS  48           H        CYS  48  -3.224  -7.851  -3.651
  313    HA   CYS  48           HA       CYS  48  -0.443  -6.993  -3.635
  314   1HB   CYS  48          1HB       CYS  48  -1.523  -4.708  -3.996
  315   2HB   CYS  48          2HB       CYS  48  -1.745  -5.894  -5.278
  316    H    ARG  49           H        ARG  49  -1.332  -8.128  -1.229
  317    HA   ARG  49           HA       ARG  49  -2.323  -6.435   0.701
  318   1HB   ARG  49          1HB       ARG  49  -1.659  -8.945   0.817
  319   2HB   ARG  49          2HB       ARG  49  -0.098  -8.337   1.352
  320   1HG   ARG  49          1HG       ARG  49  -1.308  -8.810   3.310
  321   2HG   ARG  49          2HG       ARG  49  -1.358  -7.055   3.133
  322   1HD   ARG  49          1HD       ARG  49  -3.589  -7.299   2.049
  323   2HD   ARG  49          2HD       ARG  49  -3.535  -9.019   2.433
  324    HE   ARG  49           HE       ARG  49  -3.173  -7.959   4.842
  325   1HH1  ARG  49          1HH1      ARG  49  -5.436  -7.130   2.329
  326   2HH1  ARG  49          2HH1      ARG  49  -6.647  -6.560   3.428
  327   1HH2  ARG  49          1HH2      ARG  49  -4.761  -7.207   6.300
  328   2HH2  ARG  49          2HH2      ARG  49  -6.264  -6.604   5.684
  329    H    ILE  50           H        ILE  50  -1.499  -4.345   0.236
  330    HA   ILE  50           HA       ILE  50   1.317  -3.876   0.896
  331    HB   ILE  50           HB       ILE  50  -0.792  -2.137  -0.373
  332   1HG1  ILE  50          1HG1      ILE  50   0.833  -3.924  -1.527
  333   2HG1  ILE  50          2HG1      ILE  50   0.350  -2.434  -2.327
  334   1HG2  ILE  50          1HG2      ILE  50   1.911  -1.323   0.675
  335   2HG2  ILE  50          2HG2      ILE  50   0.987  -0.374  -0.490
  336   3HG2  ILE  50          3HG2      ILE  50   0.335  -0.669   1.121
  337   1HD1  ILE  50          1HD1      ILE  50   2.777  -2.276  -0.669
  338   2HD1  ILE  50          2HD1      ILE  50   2.885  -3.268  -2.122
  339   3HD1  ILE  50          3HD1      ILE  50   2.425  -1.570  -2.247
  340    H    GLU  51           H        GLU  51   1.818  -2.063   2.396
  341    HA   GLU  51           HA       GLU  51  -0.329  -1.583   4.337
  342   1HB   GLU  51          1HB       GLU  51   2.217  -3.017   4.788
  343   2HB   GLU  51          2HB       GLU  51   1.743  -1.864   6.029
  344   1HG   GLU  51          1HG       GLU  51  -0.367  -3.004   6.329
  345   2HG   GLU  51          2HG       GLU  51   0.026  -4.121   5.023
  346    H    ILE  52           H        ILE  52  -0.575   0.538   4.317
  347    HA   ILE  52           HA       ILE  52   1.483   2.428   3.759
  348    HB   ILE  52           HB       ILE  52  -1.207   2.777   5.099
  349   1HG1  ILE  52          1HG1      ILE  52  -1.025   1.932   2.657
  350   2HG1  ILE  52          2HG1      ILE  52  -2.108   3.275   3.010
  351   1HG2  ILE  52          1HG2      ILE  52   0.563   4.557   5.529
  352   2HG2  ILE  52          2HG2      ILE  52   0.410   4.958   3.819
  353   3HG2  ILE  52          3HG2      ILE  52  -0.986   5.098   4.888
  354   1HD1  ILE  52          1HD1      ILE  52   0.693   3.600   1.998
  355   2HD1  ILE  52          2HD1      ILE  52  -0.741   3.568   0.969
  356   3HD1  ILE  52          3HD1      ILE  52  -0.544   4.849   2.168
  357    H    GLU  53           H        GLU  53   2.705   3.726   5.270
  358    HA   GLU  53           HA       GLU  53   3.240   2.431   7.702
  359   1HB   GLU  53          1HB       GLU  53   4.852   3.975   7.982
  360   2HB   GLU  53          2HB       GLU  53   4.368   4.564   6.404
  361   1HG   GLU  53          1HG       GLU  53   4.205   6.517   7.476
  362   2HG   GLU  53          2HG       GLU  53   2.647   5.885   7.964
  363    H    ASP  54           H        ASP  54   2.733   3.326   9.981
  364    HA   ASP  54           HA       ASP  54  -0.118   3.606  10.138
  365   1HB   ASP  54          1HB       ASP  54   1.046   2.198  11.736
  366   2HB   ASP  54          2HB       ASP  54   1.975   3.574  12.317
  367    H    ALA  55           H        ALA  55   1.559   5.918   9.144
  368    HA   ALA  55           HA       ALA  55   0.512   7.983  10.950
  369   1HB   ALA  55          1HB       ALA  55   3.070   7.757  10.315
  370   2HB   ALA  55          2HB       ALA  55   2.539   8.612   8.862
  371   3HB   ALA  55          3HB       ALA  55   2.298   9.336  10.455
  372    H    TRP  56           H        TRP  56   0.591   6.659   7.774
  373    HA   TRP  56           HA       TRP  56  -0.938   8.899   6.714
  374   1HB   TRP  56          1HB       TRP  56   0.504   6.694   5.287
  375   2HB   TRP  56          2HB       TRP  56  -0.258   8.095   4.537
  376    HD1  TRP  56           HD1      TRP  56   2.408   7.402   7.201
  377    HE1  TRP  56           HE1      TRP  56   4.176   9.242   7.083
  378    HE3  TRP  56           HE3      TRP  56   0.291  10.180   3.493
  379    HZ2  TRP  56           HZ2      TRP  56   4.630  11.572   5.581
  380    HZ3  TRP  56           HZ3      TRP  56   1.513  12.206   2.742
  381    HH2  TRP  56           HH2      TRP  56   3.610  12.879   3.762
  382    H    VAL  57           H        VAL  57  -1.754   6.064   8.041
  383    HA   VAL  57           HA       VAL  57  -3.479   5.029   6.046
  384    HB   VAL  57           HB       VAL  57  -3.719   4.784   9.040
  385   1HG1  VAL  57          1HG1      VAL  57  -5.677   4.253   7.549
  386   2HG1  VAL  57          2HG1      VAL  57  -4.700   2.941   6.892
  387   3HG1  VAL  57          3HG1      VAL  57  -5.125   2.945   8.605
  388   1HG2  VAL  57          1HG2      VAL  57  -1.532   4.191   7.879
  389   2HG2  VAL  57          2HG2      VAL  57  -2.264   2.970   8.930
  390   3HG2  VAL  57          3HG2      VAL  57  -2.424   2.843   7.176
  391    H    GLU  58           H        GLU  58  -3.652   7.374   8.586
  392    HA   GLU  58           HA       GLU  58  -6.458   7.918   8.140
  393   1HB   GLU  58          1HB       GLU  58  -4.388   9.316   9.856
  394   2HB   GLU  58          2HB       GLU  58  -6.087   9.767   9.791
  395   1HG   GLU  58          1HG       GLU  58  -6.750   8.003  11.038
  396   2HG   GLU  58          2HG       GLU  58  -5.492   6.941  10.409
  397    H    ILE  59           H        ILE  59  -3.664   8.504   6.543
  398    HA   ILE  59           HA       ILE  59  -4.455  11.171   5.546
  399    HB   ILE  59           HB       ILE  59  -1.883   9.644   5.436
  400   1HG1  ILE  59          1HG1      ILE  59  -2.096  12.544   5.968
  401   2HG1  ILE  59          2HG1      ILE  59  -2.706  11.450   7.204
  402   1HG2  ILE  59          1HG2      ILE  59  -2.909  11.495   3.423
  403   2HG2  ILE  59          2HG2      ILE  59  -1.310  11.906   4.044
  404   3HG2  ILE  59          3HG2      ILE  59  -1.595  10.322   3.325
  405   1HD1  ILE  59          1HD1      ILE  59  -0.168  10.545   6.324
  406   2HD1  ILE  59          2HD1      ILE  59  -0.065  12.258   6.728
  407   3HD1  ILE  59          3HD1      ILE  59  -0.661  11.108   7.921
  408    H    VAL  60           H        VAL  60  -3.792   7.877   4.692
  409    HA   VAL  60           HA       VAL  60  -4.239   8.282   1.866
  410    HB   VAL  60           HB       VAL  60  -3.804   5.745   3.437
  411   1HG1  VAL  60          1HG1      VAL  60  -4.778   5.642   1.075
  412   2HG1  VAL  60          2HG1      VAL  60  -3.187   6.182   0.536
  413   3HG1  VAL  60          3HG1      VAL  60  -3.352   4.665   1.421
  414   1HG2  VAL  60          1HG2      VAL  60  -2.029   7.927   2.996
  415   2HG2  VAL  60          2HG2      VAL  60  -1.684   6.344   3.702
  416   3HG2  VAL  60          3HG2      VAL  60  -1.502   6.585   1.968
  417    H    GLY  61           H        GLY  61  -5.844   6.884   4.646
  418   1HA   GLY  61          1HA       GLY  61  -8.135   6.643   4.980
  419   2HA   GLY  61          2HA       GLY  61  -8.399   7.194   3.336
  420    H    GLU  62           H        GLU  62  -7.650   4.391   5.333
  421    HA   GLU  62           HA       GLU  62  -7.458   2.399   3.491
  422   1HB   GLU  62          1HB       GLU  62  -8.507   2.564   6.265
  423   2HB   GLU  62          2HB       GLU  62  -8.940   1.131   5.344
  424   1HG   GLU  62          1HG       GLU  62  -6.259   1.333   4.866
  425   2HG   GLU  62          2HG       GLU  62  -6.391   1.908   6.528
  426    H    ALA  63           H        ALA  63  -8.836   1.186   2.345
  427    HA   ALA  63           HA       ALA  63 -10.978   2.309   1.075
  428   1HB   ALA  63          1HB       ALA  63  -9.843  -0.351   1.239
  429   2HB   ALA  63          2HB       ALA  63 -11.592  -0.385   0.985
  430   3HB   ALA  63          3HB       ALA  63 -10.551   0.496  -0.138
  431    H    ASN  64           H        ASN  64 -13.118   0.737   1.042
  432    HA   ASN  64           HA       ASN  64 -14.515   1.465   3.439
  433   1HB   ASN  64          1HB       ASN  64 -16.466   0.475   2.004
  434   2HB   ASN  64          2HB       ASN  64 -15.751   2.007   1.531
  435   1HD2  ASN  64          2HD2      ASN  64 -16.106   1.944  -0.607
  436   2HD2  ASN  64          1HD2      ASN  64 -15.456   0.748  -1.670
  437    HA   PRO  65           HA       PRO  65 -14.989  -2.559   5.148
  438   1HB   PRO  65          1HB       PRO  65 -17.883  -2.362   5.335
  439   2HB   PRO  65          2HB       PRO  65 -16.678  -2.193   6.614
  440   1HG   PRO  65          1HG       PRO  65 -18.175  -0.110   5.700
  441   2HG   PRO  65          2HG       PRO  65 -16.542   0.087   6.364
  442   1HD   PRO  65          1HD       PRO  65 -17.416  -0.013   3.497
  443   2HD   PRO  65          2HD       PRO  65 -16.223   1.058   4.262
  444    H    ASP  66           H        ASP  66 -15.901  -2.042   2.078
  445    HA   ASP  66           HA       ASP  66 -17.438  -4.486   1.693
  446   1HB   ASP  66          1HB       ASP  66 -16.766  -2.106   0.041
  447   2HB   ASP  66          2HB       ASP  66 -17.011  -3.624  -0.817
  448    H    GLU  67           H        GLU  67 -14.387  -3.071   0.524
  449    HA   GLU  67           HA       GLU  67 -13.483  -5.465  -0.709
  450   1HB   GLU  67          1HB       GLU  67 -11.281  -4.321  -0.793
  451   2HB   GLU  67          2HB       GLU  67 -12.593  -3.331  -1.418
  452   1HG   GLU  67          1HG       GLU  67 -11.350  -1.855  -0.139
  453   2HG   GLU  67          2HG       GLU  67 -12.677  -2.307   0.929
  454    H    ASN  68           H        ASN  68 -13.540  -4.352   2.525
  455    HA   ASN  68           HA       ASN  68 -11.415  -6.105   3.428
  456   1HB   ASN  68          1HB       ASN  68 -11.397  -4.213   4.741
  457   2HB   ASN  68          2HB       ASN  68 -13.145  -4.017   4.675
  458   1HD2  ASN  68          2HD2      ASN  68 -11.067  -6.707   5.687
  459   2HD2  ASN  68          1HD2      ASN  68 -11.734  -6.848   7.274
  460    H    ASP  69           H        ASP  69 -14.849  -6.162   3.062
  461    HA   ASP  69           HA       ASP  69 -15.337  -8.267   4.947
  462   1HB   ASP  69          1HB       ASP  69 -16.963  -6.464   3.798
  463   2HB   ASP  69          2HB       ASP  69 -17.238  -7.820   2.709
  464    H    LEU  70           H        LEU  70 -15.249  -8.111   1.390
  465    HA   LEU  70           HA       LEU  70 -15.668 -10.818   0.888
  466   1HB   LEU  70          1HB       LEU  70 -15.003 -10.398  -1.303
  467   2HB   LEU  70          2HB       LEU  70 -15.600  -8.845  -0.748
  468    HG   LEU  70           HG       LEU  70 -12.929  -8.681  -0.141
  469   1HD1  LEU  70          1HD1      LEU  70 -13.195 -10.804  -2.002
  470   2HD1  LEU  70          2HD1      LEU  70 -12.455  -9.435  -2.832
  471   3HD1  LEU  70          3HD1      LEU  70 -11.721 -10.076  -1.362
  472   1HD2  LEU  70          1HD2      LEU  70 -14.552  -7.086  -1.321
  473   2HD2  LEU  70          2HD2      LEU  70 -12.851  -7.023  -1.784
  474   3HD2  LEU  70          3HD2      LEU  70 -14.015  -7.857  -2.813
  475    H    LEU  71           H        LEU  71 -12.791  -9.106   1.869
  476    HA   LEU  71           HA       LEU  71 -11.043 -11.350   1.337
  477   1HB   LEU  71          1HB       LEU  71 -10.742  -8.552   1.944
  478   2HB   LEU  71          2HB       LEU  71  -9.746  -9.509   3.022
  479    HG   LEU  71           HG       LEU  71  -9.630  -9.403   0.017
  480   1HD1  LEU  71          1HD1      LEU  71  -8.044  -8.350   2.247
  481   2HD1  LEU  71          2HD1      LEU  71  -7.105  -9.129   0.973
  482   3HD1  LEU  71          3HD1      LEU  71  -8.181  -7.787   0.581
  483   1HD2  LEU  71          1HD2      LEU  71  -9.215 -11.678   1.604
  484   2HD2  LEU  71          2HD2      LEU  71  -8.772 -11.447  -0.088
  485   3HD2  LEU  71          3HD2      LEU  71  -7.612 -11.069   1.187
  486    H    GLN  72           H        GLN  72 -12.910 -10.105   3.969
  487    HA   GLN  72           HA       GLN  72 -11.508 -11.352   6.095
  488   1HB   GLN  72          1HB       GLN  72 -14.301 -10.275   5.800
  489   2HB   GLN  72          2HB       GLN  72 -13.788 -11.083   7.274
  490   1HG   GLN  72          1HG       GLN  72 -11.881  -9.075   6.471
  491   2HG   GLN  72          2HG       GLN  72 -13.499  -8.395   6.640
  492   1HE2  GLN  72          2HE2      GLN  72 -14.565  -9.793   8.673
  493   2HE2  GLN  72          1HE2      GLN  72 -13.666  -9.542  10.127
  494    H    SER  73           H        SER  73 -14.318 -12.314   4.161
  495    HA   SER  73           HA       SER  73 -15.072 -14.619   5.451
  496   1HB   SER  73          1HB       SER  73 -15.808 -13.405   3.128
  497   2HB   SER  73          2HB       SER  73 -15.007 -14.847   2.508
  498    HG   SER  73           HG       SER  73 -16.789 -15.837   2.978
  499    H    THR  74           H        THR  74 -12.194 -14.028   3.631
  500    HA   THR  74           HA       THR  74 -11.519 -16.706   3.012
  501    HB   THR  74           HB       THR  74  -9.350 -15.879   2.464
  502    HG1  THR  74           HG1      THR  74  -9.841 -13.398   3.672
  503   1HG2  THR  74          1HG2      THR  74 -11.572 -14.005   1.852
  504   2HG2  THR  74          2HG2      THR  74  -9.923 -13.548   1.428
  505   3HG2  THR  74          3HG2      THR  74 -10.622 -15.028   0.773
  506    H    GLY  75           H        GLY  75 -10.186 -14.561   5.540
  507   1HA   GLY  75          1HA       GLY  75 -10.227 -15.541   7.845
  508   2HA   GLY  75          2HA       GLY  75  -9.580 -16.995   7.103
  509    H    GLU  76           H        GLU  76  -8.541 -13.833   6.078
  510    HA   GLU  76           HA       GLU  76  -5.865 -14.434   7.110
  511   1HB   GLU  76          1HB       GLU  76  -6.921 -12.813   4.841
  512   2HB   GLU  76          2HB       GLU  76  -5.389 -12.334   5.559
  513   1HG   GLU  76          1HG       GLU  76  -5.716 -15.189   4.858
  514   2HG   GLU  76          2HG       GLU  76  -5.561 -14.039   3.531
  515    HA   PRO  77           HA       PRO  77  -6.103 -11.505  10.403
  516   1HB   PRO  77          1HB       PRO  77  -3.288 -10.890   9.658
  517   2HB   PRO  77          2HB       PRO  77  -3.961 -11.359  11.223
  518   1HG   PRO  77          1HG       PRO  77  -2.568 -13.099   9.766
  519   2HG   PRO  77          2HG       PRO  77  -3.996 -13.612  10.683
  520   1HD   PRO  77          1HD       PRO  77  -3.695 -13.133   7.751
  521   2HD   PRO  77          2HD       PRO  77  -4.655 -14.361   8.601
  522    H    MET  78           H        MET  78  -5.198  -9.148  10.809
  523    HA   MET  78           HA       MET  78  -5.023  -7.489   8.467
  524   1HB   MET  78          1HB       MET  78  -7.509  -7.495  10.168
  525   2HB   MET  78          2HB       MET  78  -7.045  -6.111   9.190
  526   1HG   MET  78          1HG       MET  78  -7.040  -7.633   7.202
  527   2HG   MET  78          2HG       MET  78  -7.742  -8.873   8.240
  528   1HE   MET  78          1HE       MET  78  -7.946  -5.230   7.298
  529   2HE   MET  78          2HE       MET  78  -8.797  -5.803   5.863
  530   3HE   MET  78          3HE       MET  78  -9.662  -4.881   7.092
  531    H    THR  79           H        THR  79  -3.746  -5.828   8.925
  532    HA   THR  79           HA       THR  79  -3.417  -5.063  11.751
  533    HB   THR  79           HB       THR  79  -1.187  -4.099  10.817
  534    HG1  THR  79           HG1      THR  79  -0.449  -5.143   8.984
  535   1HG2  THR  79          1HG2      THR  79  -1.604  -7.071  11.020
  536   2HG2  THR  79          2HG2      THR  79  -0.037  -6.262  11.008
  537   3HG2  THR  79          3HG2      THR  79  -1.169  -5.971  12.329
  538    H    ALA  80           H        ALA  80  -2.202  -2.695  11.618
  539    HA   ALA  80           HA       ALA  80  -4.323  -0.947  10.770
  540   1HB   ALA  80          1HB       ALA  80  -1.973  -0.768  12.488
  541   2HB   ALA  80          2HB       ALA  80  -2.279   0.699  11.560
  542   3HB   ALA  80          3HB       ALA  80  -3.534   0.043  12.611
  543    H    GLY  81           H        GLY  81  -4.451   0.211   8.959
  544   1HA   GLY  81          1HA       GLY  81  -3.777   1.366   7.073
  545   2HA   GLY  81          2HA       GLY  81  -2.108   1.047   7.507
  546    H    THR  82           H        THR  82  -3.757  -1.833   7.582
  547    HA   THR  82           HA       THR  82  -2.505  -2.724   5.151
  548    HB   THR  82           HB       THR  82  -4.400  -4.546   6.469
  549    HG1  THR  82           HG1      THR  82  -2.087  -3.856   7.918
  550   1HG2  THR  82          1HG2      THR  82  -2.547  -5.147   4.834
  551   2HG2  THR  82          2HG2      THR  82  -1.441  -4.885   6.183
  552   3HG2  THR  82          3HG2      THR  82  -2.693  -6.121   6.297
  553    H    ARG  83           H        ARG  83  -3.423  -2.246   3.257
  554    HA   ARG  83           HA       ARG  83  -6.005  -3.240   2.597
  555   1HB   ARG  83          1HB       ARG  83  -6.744  -1.224   3.753
  556   2HB   ARG  83          2HB       ARG  83  -5.682  -0.238   2.758
  557   1HG   ARG  83          1HG       ARG  83  -7.652  -1.928   1.343
  558   2HG   ARG  83          2HG       ARG  83  -8.276  -0.551   2.246
  559   1HD   ARG  83          1HD       ARG  83  -5.997  -0.288   0.304
  560   2HD   ARG  83          2HD       ARG  83  -7.676  -0.184  -0.212
  561    HE   ARG  83           HE       ARG  83  -7.887   1.850   0.911
  562   1HH1  ARG  83          1HH1      ARG  83  -4.703   0.483   1.354
  563   2HH1  ARG  83          2HH1      ARG  83  -4.020   1.957   1.945
  564   1HH2  ARG  83          1HH2      ARG  83  -6.985   3.786   1.691
  565   2HH2  ARG  83          2HH2      ARG  83  -5.312   3.831   2.136
  566    H    LEU  84           H        LEU  84  -6.508  -2.993   0.338
  567    HA   LEU  84           HA       LEU  84  -4.353  -3.351  -1.364
  568   1HB   LEU  84          1HB       LEU  84  -6.873  -2.207  -2.467
  569   2HB   LEU  84          2HB       LEU  84  -5.888  -3.524  -3.072
  570    HG   LEU  84           HG       LEU  84  -6.785  -4.634  -0.777
  571   1HD1  LEU  84          1HD1      LEU  84  -8.222  -2.367  -0.732
  572   2HD1  LEU  84          2HD1      LEU  84  -9.300  -3.392  -1.680
  573   3HD1  LEU  84          3HD1      LEU  84  -8.794  -3.897  -0.068
  574   1HD2  LEU  84          1HD2      LEU  84  -6.876  -5.449  -3.176
  575   2HD2  LEU  84          2HD2      LEU  84  -8.202  -5.949  -2.126
  576   3HD2  LEU  84          3HD2      LEU  84  -8.439  -4.642  -3.286
  577    H    SER  85           H        SER  85  -2.790  -1.791  -1.282
  578    HA   SER  85           HA       SER  85  -3.274   0.988  -1.342
  579   1HB   SER  85          1HB       SER  85  -0.928   1.249  -1.537
  580   2HB   SER  85          2HB       SER  85  -1.150  -0.224  -0.593
  581    HG   SER  85           HG       SER  85   0.379  -0.193  -2.503
  582    H    CYS  86           H        CYS  86  -2.738  -1.390  -3.881
  583    HA   CYS  86           HA       CYS  86  -2.218   0.281  -6.031
  584   1HB   CYS  86          1HB       CYS  86  -2.663  -1.528  -7.397
  585   2HB   CYS  86          2HB       CYS  86  -2.392  -2.344  -5.862
  586    H    GLN  87           H        GLN  87  -5.148  -0.243  -4.277
  587    HA   GLN  87           HA       GLN  87  -6.860   0.898  -6.292
  588   1HB   GLN  87          1HB       GLN  87  -7.451  -0.867  -4.476
  589   2HB   GLN  87          2HB       GLN  87  -7.657   0.530  -3.427
  590   1HG   GLN  87          1HG       GLN  87  -9.125   1.333  -5.511
  591   2HG   GLN  87          2HG       GLN  87  -9.306  -0.412  -5.684
  592   1HE2  GLN  87          2HE2      GLN  87 -10.367  -1.577  -4.088
  593   2HE2  GLN  87          1HE2      GLN  87 -11.357  -0.813  -2.895
  594    H    VAL  88           H        VAL  88  -4.712   2.235  -4.072
  595    HA   VAL  88           HA       VAL  88  -6.325   4.685  -3.882
  596    HB   VAL  88           HB       VAL  88  -4.034   3.691  -2.192
  597   1HG1  VAL  88          1HG1      VAL  88  -5.375   6.376  -2.266
  598   2HG1  VAL  88          2HG1      VAL  88  -4.404   5.809  -0.907
  599   3HG1  VAL  88          3HG1      VAL  88  -3.668   6.007  -2.498
  600   1HG2  VAL  88          1HG2      VAL  88  -6.279   2.764  -1.722
  601   2HG2  VAL  88          2HG2      VAL  88  -5.640   3.727  -0.390
  602   3HG2  VAL  88          3HG2      VAL  88  -6.870   4.404  -1.456
  603    H    PHE  89           H        PHE  89  -5.068   6.735  -4.074
  604    HA   PHE  89           HA       PHE  89  -2.563   6.490  -5.503
  605   1HB   PHE  89          1HB       PHE  89  -4.931   7.820  -6.807
  606   2HB   PHE  89          2HB       PHE  89  -3.305   7.652  -7.481
  607    HD1  PHE  89           HD1      PHE  89  -6.393   5.913  -6.606
  608    HD2  PHE  89           HD2      PHE  89  -2.500   5.553  -8.292
  609    HE1  PHE  89           HE1      PHE  89  -6.993   3.695  -7.487
  610    HE2  PHE  89           HE2      PHE  89  -3.089   3.326  -9.189
  611    HZ   PHE  89           HZ       PHE  89  -5.343   2.395  -8.790
  612    H    ILE  90           H        ILE  90  -1.293   8.177  -5.499
  613    HA   ILE  90           HA       ILE  90  -1.255   9.958  -3.460
  614    HB   ILE  90           HB       ILE  90  -0.028  10.102  -6.203
  615   1HG1  ILE  90          1HG1      ILE  90   0.381   8.319  -4.229
  616   2HG1  ILE  90          2HG1      ILE  90   1.644   8.826  -5.344
  617   1HG2  ILE  90          1HG2      ILE  90   0.401  11.862  -3.820
  618   2HG2  ILE  90          2HG2      ILE  90   1.668  11.568  -5.004
  619   3HG2  ILE  90          3HG2      ILE  90   0.159  12.326  -5.498
  620   1HD1  ILE  90          1HD1      ILE  90   2.316  10.566  -3.677
  621   2HD1  ILE  90          2HD1      ILE  90   1.143   9.852  -2.565
  622   3HD1  ILE  90          3HD1      ILE  90   2.515   8.896  -3.122
  623    H    ASP  91           H        ASP  91  -1.338  12.289  -3.459
  624    HA   ASP  91           HA       ASP  91  -2.585  13.972  -5.241
  625   1HB   ASP  91          1HB       ASP  91  -4.844  13.798  -4.825
  626   2HB   ASP  91          2HB       ASP  91  -4.439  12.194  -4.240
  627    HA   PRO  92           HA       PRO  92  -1.063  16.720  -2.082
  628   1HB   PRO  92          1HB       PRO  92  -3.580  18.282  -2.007
  629   2HB   PRO  92          2HB       PRO  92  -1.952  18.800  -2.466
  630   1HG   PRO  92          1HG       PRO  92  -3.849  18.488  -4.318
  631   2HG   PRO  92          2HG       PRO  92  -2.174  18.002  -4.644
  632   1HD   PRO  92          1HD       PRO  92  -4.513  16.295  -3.860
  633   2HD   PRO  92          2HD       PRO  92  -3.289  16.006  -5.119
  634    H    SER  93           H        SER  93  -2.199  14.407  -1.129
  635    HA   SER  93           HA       SER  93  -3.111  15.182   1.528
  636   1HB   SER  93          1HB       SER  93  -5.071  14.032   1.401
  637   2HB   SER  93          2HB       SER  93  -4.863  14.200  -0.350
  638    HG   SER  93           HG       SER  93  -5.234  12.010   0.511
  639    H    MET  94           H        MET  94  -1.844  12.745  -0.671
  640    HA   MET  94           HA       MET  94  -0.571  11.311   1.552
  641   1HB   MET  94          1HB       MET  94  -1.461  10.444  -1.198
  642   2HB   MET  94          2HB       MET  94  -0.347   9.486  -0.237
  643   1HG   MET  94          1HG       MET  94  -1.962   9.001   1.368
  644   2HG   MET  94          2HG       MET  94  -2.998  10.333   0.856
  645   1HE   MET  94          1HE       MET  94  -1.048   7.521  -0.549
  646   2HE   MET  94          2HE       MET  94  -2.233   6.365  -1.158
  647   3HE   MET  94          3HE       MET  94  -1.684   7.688  -2.186
  648    H    ASP  95           H        ASP  95   0.557  13.666   0.683
  649    HA   ASP  95           HA       ASP  95   2.609  13.037  -1.190
  650   1HB   ASP  95          1HB       ASP  95   2.549  15.639   0.253
  651   2HB   ASP  95          2HB       ASP  95   2.875  15.324  -1.436
  652    H    GLY  96           H        GLY  96   4.530  12.279  -0.585
  653   1HA   GLY  96          1HA       GLY  96   6.419  11.988   0.764
  654   2HA   GLY  96          2HA       GLY  96   5.705  13.102   1.928
  655    H    LEU  97           H        LEU  97   3.892  10.497   0.592
  656    HA   LEU  97           HA       LEU  97   3.220   9.505   3.141
  657   1HB   LEU  97          1HB       LEU  97   1.569   8.385   2.116
  658   2HB   LEU  97          2HB       LEU  97   1.952   9.495   0.818
  659    HG   LEU  97           HG       LEU  97   3.631   7.316   0.375
  660   1HD1  LEU  97          1HD1      LEU  97   1.033   6.489   1.562
  661   2HD1  LEU  97          2HD1      LEU  97   1.690   5.562   0.215
  662   3HD1  LEU  97          3HD1      LEU  97   2.627   5.744   1.697
  663   1HD2  LEU  97          1HD2      LEU  97   2.278   8.817  -1.187
  664   2HD2  LEU  97          2HD2      LEU  97   2.445   7.121  -1.639
  665   3HD2  LEU  97          3HD2      LEU  97   0.946   7.695  -0.911
  666    H    ILE  98           H        ILE  98   3.435   7.418   3.953
  667    HA   ILE  98           HA       ILE  98   5.920   6.115   3.103
  668    HB   ILE  98           HB       ILE  98   4.811   6.258   5.880
  669   1HG1  ILE  98          1HG1      ILE  98   6.791   7.642   6.361
  670   2HG1  ILE  98          2HG1      ILE  98   7.230   7.579   4.653
  671   1HG2  ILE  98          1HG2      ILE  98   6.306   4.241   4.901
  672   2HG2  ILE  98          2HG2      ILE  98   7.564   5.347   5.453
  673   3HG2  ILE  98          3HG2      ILE  98   6.339   4.773   6.583
  674   1HD1  ILE  98          1HD1      ILE  98   4.510   8.415   5.057
  675   2HD1  ILE  98          2HD1      ILE  98   5.657   9.482   5.866
  676   3HD1  ILE  98          3HD1      ILE  98   5.795   9.180   4.134
  677    H    VAL  99           H        VAL  99   5.717   4.154   2.358
  678    HA   VAL  99           HA       VAL  99   3.322   2.665   3.069
  679    HB   VAL  99           HB       VAL  99   4.961   1.661   0.872
  680   1HG1  VAL  99          1HG1      VAL  99   2.287   1.611   1.935
  681   2HG1  VAL  99          2HG1      VAL  99   2.288   1.926   0.194
  682   3HG1  VAL  99          3HG1      VAL  99   3.087   0.486   0.829
  683   1HG2  VAL  99          1HG2      VAL  99   3.388   4.232   0.663
  684   2HG2  VAL  99          2HG2      VAL  99   5.112   4.021   0.364
  685   3HG2  VAL  99          3HG2      VAL  99   3.933   3.280  -0.718
  686    H    ARG 100           H        ARG 100   3.768   0.175   2.742
  687    HA   ARG 100           HA       ARG 100   6.334  -0.755   3.619
  688   1HB   ARG 100          1HB       ARG 100   4.151  -1.420   5.552
  689   2HB   ARG 100          2HB       ARG 100   5.891  -1.438   5.788
  690   1HG   ARG 100          1HG       ARG 100   5.870   1.038   5.770
  691   2HG   ARG 100          2HG       ARG 100   4.108   0.984   5.676
  692   1HD   ARG 100          1HD       ARG 100   4.001   0.771   7.884
  693   2HD   ARG 100          2HD       ARG 100   4.927  -0.721   7.790
  694    HE   ARG 100           HE       ARG 100   6.003   1.961   8.293
  695   1HH1  ARG 100          1HH1      ARG 100   6.499  -1.504   8.156
  696   2HH1  ARG 100          2HH1      ARG 100   8.041  -1.430   8.934
  697   1HH2  ARG 100          1HH2      ARG 100   8.030   2.042   9.306
  698   2HH2  ARG 100          2HH2      ARG 100   8.910   0.577   9.584
  699    H    VAL 101           H        VAL 101   6.422  -3.112   3.752
  700    HA   VAL 101           HA       VAL 101   4.200  -4.375   2.281
  701    HB   VAL 101           HB       VAL 101   7.118  -5.164   2.226
  702   1HG1  VAL 101          1HG1      VAL 101   5.141  -6.880   1.907
  703   2HG1  VAL 101          2HG1      VAL 101   5.099  -6.177   0.291
  704   3HG1  VAL 101          3HG1      VAL 101   6.577  -6.935   0.884
  705   1HG2  VAL 101          1HG2      VAL 101   5.880  -3.069   0.887
  706   2HG2  VAL 101          2HG2      VAL 101   7.425  -3.814   0.481
  707   3HG2  VAL 101          3HG2      VAL 101   5.945  -4.372  -0.299
  708    HA   PRO 102           HA       PRO 102   3.842  -6.778   6.030
  709   1HB   PRO 102          1HB       PRO 102   1.795  -8.341   5.221
  710   2HB   PRO 102          2HB       PRO 102   1.571  -6.650   5.684
  711   1HG   PRO 102          1HG       PRO 102   1.822  -7.848   2.951
  712   2HG   PRO 102          2HG       PRO 102   0.679  -6.622   3.531
  713   1HD   PRO 102          1HD       PRO 102   2.904  -5.989   2.119
  714   2HD   PRO 102          2HD       PRO 102   2.227  -4.919   3.364
  715    H    LEU 103           H        LEU 103   3.443  -9.243   6.422
  716    HA   LEU 103           HA       LEU 103   4.804 -10.949   4.500
  717   1HB   LEU 103          1HB       LEU 103   5.819 -10.989   7.308
  718   2HB   LEU 103          2HB       LEU 103   6.608 -11.526   5.837
  719    HG   LEU 103           HG       LEU 103   6.069  -8.612   6.277
  720   1HD1  LEU 103          1HD1      LEU 103   8.100 -10.311   7.623
  721   2HD1  LEU 103          2HD1      LEU 103   8.587  -8.713   7.058
  722   3HD1  LEU 103          3HD1      LEU 103   7.256  -8.874   8.204
  723   1HD2  LEU 103          1HD2      LEU 103   6.831  -9.630   4.069
  724   2HD2  LEU 103          2HD2      LEU 103   7.783  -8.288   4.706
  725   3HD2  LEU 103          3HD2      LEU 103   8.368  -9.943   4.875
  726    HA   PRO 104           HA       PRO 104   2.263 -14.049   6.384
  727   1HB   PRO 104          1HB       PRO 104   3.690 -16.306   6.179
  728   2HB   PRO 104          2HB       PRO 104   3.145 -15.423   4.748
  729   1HG   PRO 104          1HG       PRO 104   5.849 -15.548   5.983
  730   2HG   PRO 104          2HG       PRO 104   5.398 -15.418   4.277
  731   1HD   PRO 104          1HD       PRO 104   6.213 -13.315   5.942
  732   2HD   PRO 104          2HD       PRO 104   5.438 -13.151   4.356
  733    H    ALA 105           H        ALA 105   1.972 -13.524   8.543
  734    HA   ALA 105           HA       ALA 105   3.149 -15.303  10.444
  735   1HB   ALA 105          1HB       ALA 105   4.782 -13.272  10.055
  736   2HB   ALA 105          2HB       ALA 105   3.672 -12.464  11.161
  737   3HB   ALA 105          3HB       ALA 105   4.509 -13.931  11.667