*HEADER    LIPID BINDING PROTEIN                   11-OCT-04   1XQ8              
*TITLE     HUMAN MICELLE-BOUND ALPHA-SYNUCLEIN                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-SYNUCLEIN;                                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: NON-A BETA COMPONENT OF AD AMYLOID, NON-A4                  
*COMPND   5 COMPONENT OF AMYLOID, NACP;                                          
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: SNCA, NACP;                                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET-41                                     
*KEYWDS    MICELLE-BOUND HELIX                                                   
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    T.S.ULMER, A.BAX, N.B.COLE, R.L.NUSSBAUM                              
*REVDAT   1   11-JAN-05 1XQ8    0                                                

! dihedrals from MFR search
! uncertainty is taken from MFR search

assign (resid   2 and name  c) (resid   3 and name n)
       (resid   3 and name ca) (resid   3 and name c)  1.0  -67.1    2.6   2
assign (resid   3 and name n) (resid   3 and name ca)
       (resid   3 and name c) (resid   4 and name  n)  1.0  -27.7    3.2   2

assign (resid   3 and name  c) (resid   4 and name n)
       (resid   4 and name ca) (resid   4 and name c)  1.0  -74.4    3.9   2
assign (resid   4 and name n) (resid   4 and name ca)
       (resid   4 and name c) (resid   5 and name  n)  1.0  -37.8    7.8   2

assign (resid   4 and name  c) (resid   5 and name n)
       (resid   5 and name ca) (resid   5 and name c)  1.0  -65.5    7.9   2
assign (resid   5 and name n) (resid   5 and name ca)
       (resid   5 and name c) (resid   6 and name  n)  1.0  -39.3    5.0   2

assign (resid   5 and name  c) (resid   6 and name n)
       (resid   6 and name ca) (resid   6 and name c)  1.0  -63.8    4.4   2
assign (resid   6 and name n) (resid   6 and name ca)
       (resid   6 and name c) (resid   7 and name  n)  1.0  -42.7    6.0   2

assign (resid   6 and name  c) (resid   7 and name n)
       (resid   7 and name ca) (resid   7 and name c)  1.0  -67.7    5.1   2
assign (resid   7 and name n) (resid   7 and name ca)
       (resid   7 and name c) (resid   8 and name  n)  1.0  -38.6    4.3   2

assign (resid   7 and name  c) (resid   8 and name n)
       (resid   8 and name ca) (resid   8 and name c)  1.0  -66.5    4.1   2
assign (resid   8 and name n) (resid   8 and name ca)
       (resid   8 and name c) (resid   9 and name  n)  1.0  -39.1    6.9   2

assign (resid   8 and name  c) (resid   9 and name n)
       (resid   9 and name ca) (resid   9 and name c)  1.0  -63.4    6.6   2
assign (resid   9 and name n) (resid   9 and name ca)
       (resid   9 and name c) (resid  10 and name  n)  1.0  -41.7    4.6   2

assign (resid   9 and name  c) (resid  10 and name n)
       (resid  10 and name ca) (resid  10 and name c)  1.0  -67.6    3.3   2
assign (resid  10 and name n) (resid  10 and name ca)
       (resid  10 and name c) (resid  11 and name  n)  1.0  -40.7    4.4   2

assign (resid  10 and name  c) (resid  11 and name n)
       (resid  11 and name ca) (resid  11 and name c)  1.0  -63.3    4.3   2
assign (resid  11 and name n) (resid  11 and name ca)
       (resid  11 and name c) (resid  12 and name  n)  1.0  -39.1    3.5   2

assign (resid  11 and name  c) (resid  12 and name n)
       (resid  12 and name ca) (resid  12 and name c)  1.0  -64.5    3.1   2
assign (resid  12 and name n) (resid  12 and name ca)
       (resid  12 and name c) (resid  13 and name  n)  1.0  -42.4    3.2   2

assign (resid  12 and name  c) (resid  13 and name n)
       (resid  13 and name ca) (resid  13 and name c)  1.0  -63.2    3.5   2
assign (resid  13 and name n) (resid  13 and name ca)
       (resid  13 and name c) (resid  14 and name  n)  1.0  -38.1    3.4   2

assign (resid  13 and name  c) (resid  14 and name n)
       (resid  14 and name ca) (resid  14 and name c)  1.0  -68.4    3.5   2
assign (resid  14 and name n) (resid  14 and name ca)
       (resid  14 and name c) (resid  15 and name  n)  1.0  -41.2    4.0   2

assign (resid  14 and name  c) (resid  15 and name n)
       (resid  15 and name ca) (resid  15 and name c)  1.0  -66.4    5.4   2
assign (resid  15 and name n) (resid  15 and name ca)
       (resid  15 and name c) (resid  16 and name  n)  1.0  -33.8    7.1   2

assign (resid  15 and name  c) (resid  16 and name n)
       (resid  16 and name ca) (resid  16 and name c)  1.0  -71.3    6.6   2
assign (resid  16 and name n) (resid  16 and name ca)
       (resid  16 and name c) (resid  17 and name  n)  1.0  -38.6    5.1   2

assign (resid  16 and name  c) (resid  17 and name n)
       (resid  17 and name ca) (resid  17 and name c)  1.0  -62.0    5.1   2
assign (resid  17 and name n) (resid  17 and name ca)
       (resid  17 and name c) (resid  18 and name  n)  1.0  -41.8    6.3   2

assign (resid  17 and name  c) (resid  18 and name n)
       (resid  18 and name ca) (resid  18 and name c)  1.0  -65.2    5.6   2
assign (resid  18 and name n) (resid  18 and name ca)
       (resid  18 and name c) (resid  19 and name  n)  1.0  -33.7    6.7   2

assign (resid  18 and name  c) (resid  19 and name n)
       (resid  19 and name ca) (resid  19 and name c)  1.0  -63.0    5.5   2
assign (resid  19 and name n) (resid  19 and name ca)
       (resid  19 and name c) (resid  20 and name  n)  1.0  -37.5    8.0   2

assign (resid  19 and name  c) (resid  20 and name n)
       (resid  20 and name ca) (resid  20 and name c)  1.0  -62.8    5.7   2
assign (resid  20 and name n) (resid  20 and name ca)
       (resid  20 and name c) (resid  21 and name  n)  1.0  -43.1    8.5   2

assign (resid  20 and name  c) (resid  21 and name n)
       (resid  21 and name ca) (resid  21 and name c)  1.0  -69.5    6.6   2
assign (resid  21 and name n) (resid  21 and name ca)
       (resid  21 and name c) (resid  22 and name  n)  1.0  -38.1    4.2   2

assign (resid  21 and name  c) (resid  22 and name n)
       (resid  22 and name ca) (resid  22 and name c)  1.0  -66.8    3.7   2
assign (resid  22 and name n) (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name  n)  1.0  -39.8    4.9   2

assign (resid  22 and name  c) (resid  23 and name n)
       (resid  23 and name ca) (resid  23 and name c)  1.0  -65.5    3.7   2
assign (resid  23 and name n) (resid  23 and name ca)
       (resid  23 and name c) (resid  24 and name  n)  1.0  -39.4    5.7   2

assign (resid  23 and name  c) (resid  24 and name n)
       (resid  24 and name ca) (resid  24 and name c)  1.0  -68.2    5.5   2
assign (resid  24 and name n) (resid  24 and name ca)
       (resid  24 and name c) (resid  25 and name  n)  1.0  -36.7    8.5   2

assign (resid  24 and name  c) (resid  25 and name n)
       (resid  25 and name ca) (resid  25 and name c)  1.0  -71.3    6.7   2
assign (resid  25 and name n) (resid  25 and name ca)
       (resid  25 and name c) (resid  26 and name  n)  1.0  -36.6    3.5   2

assign (resid  25 and name  c) (resid  26 and name n)
       (resid  26 and name ca) (resid  26 and name c)  1.0  -71.4    3.7   2
assign (resid  26 and name n) (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name  n)  1.0  -35.0    4.1   2

assign (resid  26 and name  c) (resid  27 and name n)
       (resid  27 and name ca) (resid  27 and name c)  1.0  -65.1    4.9   2
assign (resid  27 and name n) (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name  n)  1.0  -42.1    8.0   2

assign (resid  27 and name  c) (resid  28 and name n)
       (resid  28 and name ca) (resid  28 and name c)  1.0  -69.4    7.8   2
assign (resid  28 and name n) (resid  28 and name ca)
       (resid  28 and name c) (resid  29 and name  n)  1.0  -35.3   11.8   2

assign (resid  28 and name  c) (resid  29 and name n)
       (resid  29 and name ca) (resid  29 and name c)  1.0  -64.7    8.8   2
assign (resid  29 and name n) (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name  n)  1.0  -36.1    4.1   2

assign (resid  29 and name  c) (resid  30 and name n)
       (resid  30 and name ca) (resid  30 and name c)  1.0  -63.9    7.3   2
assign (resid  30 and name n) (resid  30 and name ca)
       (resid  30 and name c) (resid  31 and name  n)  1.0  -27.6   14.9   2

assign (resid  30 and name  c) (resid  31 and name n)
       (resid  31 and name ca) (resid  31 and name c)  1.0  -70.0   15.3   2
assign (resid  31 and name n) (resid  31 and name ca)
       (resid  31 and name c) (resid  32 and name  n)  1.0  -30.0   14.9   2

assign (resid  31 and name  c) (resid  32 and name n)
       (resid  32 and name ca) (resid  32 and name c)  1.0  -70.1    8.6   2
assign (resid  32 and name n) (resid  32 and name ca)
       (resid  32 and name c) (resid  33 and name  n)  1.0  -26.6    8.4   2

assign (resid  32 and name  c) (resid  33 and name n)
       (resid  33 and name ca) (resid  33 and name c)  1.0  -74.8   12.6   2
assign (resid  33 and name n) (resid  33 and name ca)
       (resid  33 and name c) (resid  34 and name  n)  1.0  -27.0   11.2   2

assign (resid  33 and name  c) (resid  34 and name n)
       (resid  34 and name ca) (resid  34 and name c)  1.0  -71.3    9.7   2
assign (resid  34 and name n) (resid  34 and name ca)
       (resid  34 and name c) (resid  35 and name  n)  1.0  -26.1   15.1   2

assign (resid  34 and name  c) (resid  35 and name n)
       (resid  35 and name ca) (resid  35 and name c)  1.0  -74.0   14.8   2
assign (resid  35 and name n) (resid  35 and name ca)
       (resid  35 and name c) (resid  36 and name  n)  1.0  -28.6   15.0   2

assign (resid  35 and name  c) (resid  36 and name n)
       (resid  36 and name ca) (resid  36 and name c)  1.0  -78.1   18.7   2
assign (resid  36 and name n) (resid  36 and name ca)
       (resid  36 and name c) (resid  37 and name  n)  1.0  -13.9   11.8   2

assign (resid  36 and name  c) (resid  37 and name n)
       (resid  37 and name ca) (resid  37 and name c)  1.0  -94.9   13.5   2
assign (resid  37 and name n) (resid  37 and name ca)
       (resid  37 and name c) (resid  38 and name  n)  1.0   -6.0   14.2   2

assign (resid  37 and name  c) (resid  38 and name n)
       (resid  38 and name ca) (resid  38 and name c)  1.0  -81.3   27.8   2
assign (resid  38 and name n) (resid  38 and name ca)
       (resid  38 and name c) (resid  39 and name  n)  1.0  133.1   16.9   2

assign (resid  38 and name  c) (resid  39 and name n)
       (resid  39 and name ca) (resid  39 and name c)  1.0  -77.9   30.0   2   ! dihedrals relaxed for linker
assign (resid  39 and name n) (resid  39 and name ca)
       (resid  39 and name c) (resid  40 and name  n)  1.0  123.4   30.0   2   ! dihedrals relaxed for linker

assign (resid  39 and name  c) (resid  40 and name n)
       (resid  40 and name ca) (resid  40 and name c)  1.0  -63.7   30.0   2   ! dihedrals relaxed for linker
assign (resid  40 and name n) (resid  40 and name ca)
       (resid  40 and name c) (resid  41 and name  n)  1.0  130.8   30.0   2   ! dihedrals relaxed for linker

assign (resid  40 and name  c) (resid  41 and name n)
       (resid  41 and name ca) (resid  41 and name c)  1.0  -65.1   30.0   2   ! dihedrals relaxed for linker
assign (resid  41 and name n) (resid  41 and name ca)
       (resid  41 and name c) (resid  42 and name  n)  1.0  -19.0   30.0   2   ! dihedrals relaxed for linker

assign (resid  41 and name  c) (resid  42 and name n)
       (resid  42 and name ca) (resid  42 and name c)  1.0  -94.0   30.0   2   ! dihedrals relaxed for linker
assign (resid  42 and name n) (resid  42 and name ca)
       (resid  42 and name c) (resid  43 and name  n)  1.0    3.1   30.0   2   ! dihedrals relaxed for linker

assign (resid  42 and name  c) (resid  43 and name n)
       (resid  43 and name ca) (resid  43 and name c)  1.0  -70.9   30.0   2   ! dihedrals relaxed for linker
assign (resid  43 and name n) (resid  43 and name ca)
       (resid  43 and name c) (resid  44 and name  n)  1.0  139.4   30.0   2   ! dihedrals relaxed for linker

assign (resid  43 and name  c) (resid  44 and name n)
       (resid  44 and name ca) (resid  44 and name c)  1.0 -116.7   26.0   2
assign (resid  44 and name n) (resid  44 and name ca)
       (resid  44 and name c) (resid  45 and name  n)  1.0  135.6   26.9   2

assign (resid  44 and name  c) (resid  45 and name n)
       (resid  45 and name ca) (resid  45 and name c)  1.0  -60.4    8.5   2
assign (resid  45 and name n) (resid  45 and name ca)
       (resid  45 and name c) (resid  46 and name  n)  1.0  -40.8    8.0   2

assign (resid  45 and name  c) (resid  46 and name n)
       (resid  46 and name ca) (resid  46 and name c)  1.0  -63.5    6.3   2
assign (resid  46 and name n) (resid  46 and name ca)
       (resid  46 and name c) (resid  47 and name  n)  1.0  -40.9    6.0   2

assign (resid  46 and name  c) (resid  47 and name n)
       (resid  47 and name ca) (resid  47 and name c)  1.0  -65.1    3.2   2
assign (resid  47 and name n) (resid  47 and name ca)
       (resid  47 and name c) (resid  48 and name  n)  1.0  -42.4    6.5   2

assign (resid  47 and name  c) (resid  48 and name n)
       (resid  48 and name ca) (resid  48 and name c)  1.0  -65.2    4.7   2
assign (resid  48 and name n) (resid  48 and name ca)
       (resid  48 and name c) (resid  49 and name  n)  1.0  -48.0    6.4   2

assign (resid  48 and name  c) (resid  49 and name n)
       (resid  49 and name ca) (resid  49 and name c)  1.0  -62.1    3.8   2
assign (resid  49 and name n) (resid  49 and name ca)
       (resid  49 and name c) (resid  50 and name  n)  1.0  -37.3    4.4   2

assign (resid  49 and name  c) (resid  50 and name n)
       (resid  50 and name ca) (resid  50 and name c)  1.0  -63.9    3.8   2
assign (resid  50 and name n) (resid  50 and name ca)
       (resid  50 and name c) (resid  51 and name  n)  1.0  -43.7    3.3   2

assign (resid  50 and name  c) (resid  51 and name n)
       (resid  51 and name ca) (resid  51 and name c)  1.0  -62.8    3.5   2
assign (resid  51 and name n) (resid  51 and name ca)
       (resid  51 and name c) (resid  52 and name  n)  1.0  -45.1    4.9   2

assign (resid  51 and name  c) (resid  52 and name n)
       (resid  52 and name ca) (resid  52 and name c)  1.0  -63.1    5.1   2
assign (resid  52 and name n) (resid  52 and name ca)
       (resid  52 and name c) (resid  53 and name  n)  1.0  -42.2    4.3   2

assign (resid  52 and name  c) (resid  53 and name n)
       (resid  53 and name ca) (resid  53 and name c)  1.0  -64.2    3.6   2
assign (resid  53 and name n) (resid  53 and name ca)
       (resid  53 and name c) (resid  54 and name  n)  1.0  -40.4    2.8   2

assign (resid  53 and name  c) (resid  54 and name n)
       (resid  54 and name ca) (resid  54 and name c)  1.0  -66.8    3.5   2
assign (resid  54 and name n) (resid  54 and name ca)
       (resid  54 and name c) (resid  55 and name  n)  1.0  -47.2    4.8   2

assign (resid  54 and name  c) (resid  55 and name n)
       (resid  55 and name ca) (resid  55 and name c)  1.0  -61.9    5.3   2
assign (resid  55 and name n) (resid  55 and name ca)
       (resid  55 and name c) (resid  56 and name  n)  1.0  -41.2    4.9   2

assign (resid  55 and name  c) (resid  56 and name n)
       (resid  56 and name ca) (resid  56 and name c)  1.0  -68.1    7.4   2
assign (resid  56 and name n) (resid  56 and name ca)
       (resid  56 and name c) (resid  57 and name  n)  1.0  -33.8    9.1   2

assign (resid  56 and name  c) (resid  57 and name n)
       (resid  57 and name ca) (resid  57 and name c)  1.0  -64.2    7.4   2
assign (resid  57 and name n) (resid  57 and name ca)
       (resid  57 and name c) (resid  58 and name  n)  1.0  -46.7    4.2   2

assign (resid  57 and name  c) (resid  58 and name n)
       (resid  58 and name ca) (resid  58 and name c)  1.0  -72.4    8.2   2
assign (resid  58 and name n) (resid  58 and name ca)
       (resid  58 and name c) (resid  59 and name  n)  1.0  -28.3    9.8   2

assign (resid  58 and name  c) (resid  59 and name n)
       (resid  59 and name ca) (resid  59 and name c)  1.0  -70.2   13.8   2
assign (resid  59 and name n) (resid  59 and name ca)
       (resid  59 and name c) (resid  60 and name  n)  1.0  -34.3    9.7   2

assign (resid  59 and name  c) (resid  60 and name n)
       (resid  60 and name ca) (resid  60 and name c)  1.0  -67.0   10.9   2
assign (resid  60 and name n) (resid  60 and name ca)
       (resid  60 and name c) (resid  61 and name  n)  1.0  -37.6    6.7   2

assign (resid  60 and name  c) (resid  61 and name n)
       (resid  61 and name ca) (resid  61 and name c)  1.0  -58.0    4.5   2
assign (resid  61 and name n) (resid  61 and name ca)
       (resid  61 and name c) (resid  62 and name  n)  1.0  -41.5    8.9   2

assign (resid  61 and name  c) (resid  62 and name n)
       (resid  62 and name ca) (resid  62 and name c)  1.0  -66.6    8.4   2
assign (resid  62 and name n) (resid  62 and name ca)
       (resid  62 and name c) (resid  63 and name  n)  1.0  -38.8   10.6   2

assign (resid  62 and name  c) (resid  63 and name n)
       (resid  63 and name ca) (resid  63 and name c)  1.0  -63.4    7.0   2
assign (resid  63 and name n) (resid  63 and name ca)
       (resid  63 and name c) (resid  64 and name  n)  1.0  -37.0    8.3   2

assign (resid  63 and name  c) (resid  64 and name n)
       (resid  64 and name ca) (resid  64 and name c)  1.0  -66.4    6.9   2
assign (resid  64 and name n) (resid  64 and name ca)
       (resid  64 and name c) (resid  65 and name  n)  1.0  -35.4    5.0   2

assign (resid  64 and name  c) (resid  65 and name n)
       (resid  65 and name ca) (resid  65 and name c)  1.0  -76.1   11.2   2
assign (resid  65 and name n) (resid  65 and name ca)
       (resid  65 and name c) (resid  66 and name  n)  1.0  -31.8    8.6   2

assign (resid  65 and name  c) (resid  66 and name n)
       (resid  66 and name ca) (resid  66 and name c)  1.0  -80.2    7.5   2
assign (resid  66 and name n) (resid  66 and name ca)
       (resid  66 and name c) (resid  67 and name  n)  1.0  -35.6   10.8   2

assign (resid  66 and name  c) (resid  67 and name n)
       (resid  67 and name ca) (resid  67 and name c)  1.0  -55.9    8.6   2
assign (resid  67 and name n) (resid  67 and name ca)
       (resid  67 and name c) (resid  68 and name  n)  1.0  -48.5    8.9   2

assign (resid  67 and name  c) (resid  68 and name n)
       (resid  68 and name ca) (resid  68 and name c)  1.0  -58.7    7.1   2
assign (resid  68 and name n) (resid  68 and name ca)
       (resid  68 and name c) (resid  69 and name  n)  1.0  -37.9    6.8   2

assign (resid  68 and name  c) (resid  69 and name n)
       (resid  69 and name ca) (resid  69 and name c)  1.0  -72.2    7.9   2
assign (resid  69 and name n) (resid  69 and name ca)
       (resid  69 and name c) (resid  70 and name  n)  1.0  -35.5    5.3   2

assign (resid  69 and name  c) (resid  70 and name n)
       (resid  70 and name ca) (resid  70 and name c)  1.0  -66.9    3.5   2
assign (resid  70 and name n) (resid  70 and name ca)
       (resid  70 and name c) (resid  71 and name  n)  1.0  -41.6    5.1   2

assign (resid  70 and name  c) (resid  71 and name n)
       (resid  71 and name ca) (resid  71 and name c)  1.0  -64.8    4.0   2
assign (resid  71 and name n) (resid  71 and name ca)
       (resid  71 and name c) (resid  72 and name  n)  1.0  -40.2    5.8   2

assign (resid  71 and name  c) (resid  72 and name n)
       (resid  72 and name ca) (resid  72 and name c)  1.0  -66.7    5.9   2
assign (resid  72 and name n) (resid  72 and name ca)
       (resid  72 and name c) (resid  73 and name  n)  1.0  -41.5    4.0   2

assign (resid  72 and name  c) (resid  73 and name n)
       (resid  73 and name ca) (resid  73 and name c)  1.0  -64.5    3.0   2
assign (resid  73 and name n) (resid  73 and name ca)
       (resid  73 and name c) (resid  74 and name  n)  1.0  -41.6    4.0   2

assign (resid  73 and name  c) (resid  74 and name n)
       (resid  74 and name ca) (resid  74 and name c)  1.0  -62.0    3.2   2
assign (resid  74 and name n) (resid  74 and name ca)
       (resid  74 and name c) (resid  75 and name  n)  1.0  -44.1    5.6   2

assign (resid  74 and name  c) (resid  75 and name n)
       (resid  75 and name ca) (resid  75 and name c)  1.0  -62.9    4.8   2
assign (resid  75 and name n) (resid  75 and name ca)
       (resid  75 and name c) (resid  76 and name  n)  1.0  -39.9    6.4   2

assign (resid  75 and name  c) (resid  76 and name n)
       (resid  76 and name ca) (resid  76 and name c)  1.0  -61.1    5.0   2
assign (resid  76 and name n) (resid  76 and name ca)
       (resid  76 and name c) (resid  77 and name  n)  1.0  -41.7    4.4   2

assign (resid  76 and name  c) (resid  77 and name n)
       (resid  77 and name ca) (resid  77 and name c)  1.0  -67.7    2.7   2
assign (resid  77 and name n) (resid  77 and name ca)
       (resid  77 and name c) (resid  78 and name  n)  1.0  -42.1    3.8   2

assign (resid  77 and name  c) (resid  78 and name n)
       (resid  78 and name ca) (resid  78 and name c)  1.0  -58.3    4.8   2
assign (resid  78 and name n) (resid  78 and name ca)
       (resid  78 and name c) (resid  79 and name  n)  1.0  -41.9    6.7   2

assign (resid  78 and name  c) (resid  79 and name n)
       (resid  79 and name ca) (resid  79 and name c)  1.0  -70.1    5.5   2
assign (resid  79 and name n) (resid  79 and name ca)
       (resid  79 and name c) (resid  80 and name  n)  1.0  -39.0   12.4   2

assign (resid  79 and name  c) (resid  80 and name n)
       (resid  80 and name ca) (resid  80 and name c)  1.0  -67.6    8.2   2
assign (resid  80 and name n) (resid  80 and name ca)
       (resid  80 and name c) (resid  81 and name  n)  1.0  -32.5    3.1   2

assign (resid  80 and name  c) (resid  81 and name n)
       (resid  81 and name ca) (resid  81 and name c)  1.0  -72.2    3.7   2
assign (resid  81 and name n) (resid  81 and name ca)
       (resid  81 and name c) (resid  82 and name  n)  1.0  -37.8    5.8   2

assign (resid  81 and name  c) (resid  82 and name n)
       (resid  82 and name ca) (resid  82 and name c)  1.0  -64.4    5.0   2
assign (resid  82 and name n) (resid  82 and name ca)
       (resid  82 and name c) (resid  83 and name  n)  1.0  -41.7    9.0   2

assign (resid  82 and name  c) (resid  83 and name n)
       (resid  83 and name ca) (resid  83 and name c)  1.0  -68.6   10.8   2
assign (resid  83 and name n) (resid  83 and name ca)
       (resid  83 and name c) (resid  84 and name  n)  1.0  -37.0   11.2   2

assign (resid  83 and name  c) (resid  84 and name n)
       (resid  84 and name ca) (resid  84 and name c)  1.0  -71.9   12.2   2
assign (resid  84 and name n) (resid  84 and name ca)
       (resid  84 and name c) (resid  85 and name  n)  1.0  -25.5    5.2   2

assign (resid  84 and name  c) (resid  85 and name n)
       (resid  85 and name ca) (resid  85 and name c)  1.0  -64.8    1.0   2   ! dihedrals tightened for Cys-EDTA
assign (resid  85 and name n) (resid  85 and name ca)
       (resid  85 and name c) (resid  86 and name  n)  1.0  -27.0    1.0   2   ! dihedrals tightened for Cys-EDTA

assign (resid  85 and name  c) (resid  86 and name n)
       (resid  86 and name ca) (resid  86 and name c)  1.0  -63.1    1.0   2   ! dihedrals tightened for Cys-EDTA
assign (resid  86 and name n) (resid  86 and name ca)
       (resid  86 and name c) (resid  87 and name  n)  1.0  -40.7    1.0   2   ! dihedrals tightened for Cys-EDTA

assign (resid  86 and name  c) (resid  87 and name n)
       (resid  87 and name ca) (resid  87 and name c)  1.0  -67.5    1.0   2   ! dihedrals tightened for Cys-EDTA
assign (resid  87 and name n) (resid  87 and name ca)
       (resid  87 and name c) (resid  88 and name  n)  1.0  -30.1    1.0   2   ! dihedrals tightened for Cys-EDTA

assign (resid  87 and name  c) (resid  88 and name n)
       (resid  88 and name ca) (resid  88 and name c)  1.0  -66.3    1.0   2   ! dihedrals tightened for Cys-EDTA
assign (resid  88 and name n) (resid  88 and name ca)
       (resid  88 and name c) (resid  89 and name  n)  1.0  -38.7    1.0   2   ! dihedrals tightened for Cys-EDTA

assign (resid  88 and name  c) (resid  89 and name n)
       (resid  89 and name ca) (resid  89 and name c)  1.0  -64.2    3.9   2
assign (resid  89 and name n) (resid  89 and name ca)
       (resid  89 and name c) (resid  90 and name  n)  1.0  -42.0    3.2   2

assign (resid  89 and name  c) (resid  90 and name n)
       (resid  90 and name ca) (resid  90 and name c)  1.0  -63.8    4.3   2
assign (resid  90 and name n) (resid  90 and name ca)
       (resid  90 and name c) (resid  91 and name  n)  1.0  -41.5    6.6   2

assign (resid  90 and name  c) (resid  91 and name n)
       (resid  91 and name ca) (resid  91 and name c)  1.0  -67.8    6.2   2
assign (resid  91 and name n) (resid  91 and name ca)
       (resid  91 and name c) (resid  92 and name  n)  1.0  -22.3    6.1   2

assign (resid  91 and name  c) (resid  92 and name n)
       (resid  92 and name ca) (resid  92 and name c)  1.0  -86.7    9.1   2
assign (resid  92 and name n) (resid  92 and name ca)
       (resid  92 and name c) (resid  93 and name  n)  1.0   -6.9   11.8   2

assign (resid  92 and name  c) (resid  93 and name n)
       (resid  93 and name ca) (resid  93 and name c)  1.0  -74.9   31.4   2
assign (resid  93 and name n) (resid  93 and name ca)
       (resid  93 and name c) (resid  94 and name  n)  1.0  146.9   11.6   2

assign (resid  93 and name  c) (resid  94 and name n)
       (resid  94 and name ca) (resid  94 and name c)  1.0  -68.9   23.7   2
assign (resid  94 and name n) (resid  94 and name ca)
       (resid  94 and name c) (resid  95 and name  n)  1.0  141.3   12.0   2

assign (resid  94 and name  c) (resid  95 and name n)
       (resid  95 and name ca) (resid  95 and name c)  1.0  -78.9   19.9   2
assign (resid  95 and name n) (resid  95 and name ca)
       (resid  95 and name c) (resid  96 and name  n)  1.0  143.7   18.9   2
       
assign (resid  95 and name  c) (resid  96 and name n)
       (resid  96 and name ca) (resid  96 and name c)  1.0 -85.45   30.17   2
assign (resid  96 and name n) (resid  96 and name ca)
       (resid  96 and name c) (resid  97 and name  n)  1.0 141.75   20.20   2

assign (resid  96 and name  c) (resid  97 and name n)
       (resid  97 and name ca) (resid  97 and name c)  1.0 -71.27   20.0   2   !mind 20 here
assign (resid  97 and name n) (resid  97 and name ca)
       (resid  97 and name c) (resid  98 and name  n)  1.0 145.20  20.24   2                     
      

! Chi1 dihedrals from JNCg and JCCg couplings

assign (resid   5     and name   N)
       (resid   5 and name  CA)
       (resid   5 and name  CB)
       (resid   5 and name  CG) 1.00  -60.000  60.000   2

assign (resid  20     and name   N)
       (resid  20 and name  CA)
       (resid  20 and name  CB)
       (resid  20 and name  CG) 1.00  -60.000  30.000   2

assign (resid  26     and name   N)
       (resid  26 and name  CA)
       (resid  26 and name  CB)
       (resid  26 and name CG1) 1.00  -60.000  30.000   2

assign (resid  28     and name   N)
       (resid  28 and name  CA)
       (resid  28 and name  CB)
       (resid  28 and name  CG) 1.00  -60.000  60.000   2

assign (resid  44     and name   N)
       (resid  44 and name  CA)
       (resid  44 and name  CB)
       (resid  44 and name OG1) 1.00  -60.000  30.000   2

assign (resid  50     and name   N)
       (resid  50 and name  CA)
       (resid  50 and name  CB)
       (resid  50 and name  CG) 1.00  180.000  60.000   2

assign (resid  52     and name   N)
       (resid  52 and name  CA)
       (resid  52 and name  CB)
       (resid  52 and name CG1) 1.00  -60.000  30.000   2

assign (resid  60     and name   N)
       (resid  60 and name  CA)
       (resid  60 and name  CB)
       (resid  60 and name  CG) 1.00  -60.000  60.000   2

assign (resid  61     and name   N)
       (resid  61 and name  CA)
       (resid  61 and name  CB)
       (resid  61 and name  CG) 1.00  -60.000  60.000   2

assign (resid  63     and name   N)
       (resid  63 and name  CA)
       (resid  63 and name  CB)
       (resid  63 and name CG1) 1.00  -60.000  60.000   2

assign (resid  79     and name   N)
       (resid  79 and name  CA)
       (resid  79 and name  CB)
       (resid  79 and name  CG) 1.00  -60.000  60.000   2

assign (resid  82     and name   N)
       (resid  82 and name  CA)
       (resid  82 and name  CB)
       (resid  82 and name CG1) 1.00  -60.000  60.000   2

assign (resid  92     and name   N)
       (resid  92 and name  CA)
       (resid  92 and name  CB)
       (resid  92 and name OG1) 1.00  -60.000  60.000   2

assign (resid 102     and name   N)
       (resid 102 and name  CA)
       (resid 102 and name  CB)
       (resid 102 and name  CG) 1.00  180.000  60.000   2

assign (resid 104     and name   N)
       (resid 104 and name  CA)
       (resid 104 and name  CB)
       (resid 104 and name  CG) 1.00  -60.000  30.000   2

assign (resid 109     and name   N)
       (resid 109 and name  CA)
       (resid 109 and name  CB)
       (resid 109 and name  CG) 1.00  -60.000  60.000   2

assign (resid 112     and name   N)
       (resid 112 and name  CA)
       (resid 112 and name  CB)
       (resid 112 and name CG1) 1.00  180.000  60.000   2

assign (resid 123     and name   N)
       (resid 123 and name  CA)
       (resid 123 and name  CB)
       (resid 123 and name  CG) 1.00  -60.000  30.000   2


  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           HT1      MET   1 251.445  35.587   2.589
    2   2H    MET   1           HT2      MET   1 250.089  36.458   2.050
    3   3H    MET   1           HT3      MET   1 251.593  36.664   1.288
    4    HA   MET   1           HA       MET   1 251.201  35.001  -0.100
    5   1HB   MET   1          HB2       MET   1 250.671  33.533   2.488
    6   2HB   MET   1          HB1       MET   1 250.432  32.738   0.937
    7   1HG   MET   1          HG2       MET   1 252.679  32.245   1.681
    8   2HG   MET   1          HG1       MET   1 252.793  33.372   0.327
    9   1HE   MET   1          HE1       MET   1 255.062  33.437   1.041
   10   2HE   MET   1          HE2       MET   1 255.741  34.609   2.164
   11   3HE   MET   1          HE3       MET   1 254.898  35.169   0.719
   12    H    ASP   2           HN       ASP   2 248.670  35.570   2.300
   13    HA   ASP   2           HA       ASP   2 246.503  34.419   0.846
   14   1HB   ASP   2          HB2       ASP   2 246.543  36.782   2.749
   15   2HB   ASP   2          HB1       ASP   2 245.078  35.990   2.177
   16    H    VAL   3           HN       VAL   3 246.266  34.938  -1.285
   17    HA   VAL   3           HA       VAL   3 247.018  37.291  -2.592
   18    HB   VAL   3           HB       VAL   3 244.609  35.558  -3.222
   19   1HG1  VAL   3          HG11      VAL   3 246.184  37.586  -4.819
   20   2HG1  VAL   3          HG12      VAL   3 244.451  37.573  -4.497
   21   3HG1  VAL   3          HG13      VAL   3 245.156  36.373  -5.578
   22   1HG2  VAL   3          HG21      VAL   3 246.306  34.545  -4.859
   23   2HG2  VAL   3          HG22      VAL   3 246.525  34.143  -3.158
   24   3HG2  VAL   3          HG23      VAL   3 247.546  35.365  -3.912
   25    H    PHE   4           HN       PHE   4 244.511  36.891  -0.304
   26    HA   PHE   4           HA       PHE   4 242.822  39.069  -1.258
   27   1HB   PHE   4          HB2       PHE   4 242.971  37.593   1.383
   28   2HB   PHE   4          HB1       PHE   4 241.787  38.852   1.038
   29    HD1  PHE   4           HD1      PHE   4 240.043  38.520  -0.658
   30    HD2  PHE   4           HD2      PHE   4 242.845  35.408   0.302
   31    HE1  PHE   4           HE1      PHE   4 238.605  36.869  -1.827
   32    HE2  PHE   4           HE2      PHE   4 241.412  33.762  -0.860
   33    HZ   PHE   4           HZ       PHE   4 239.291  34.483  -1.924
   34    H    MET   5           HN       MET   5 245.204  38.690   1.382
   35    HA   MET   5           HA       MET   5 245.069  41.276   2.467
   36   1HB   MET   5          HB2       MET   5 247.373  39.347   2.110
   37   2HB   MET   5          HB1       MET   5 247.609  40.912   2.884
   38   1HG   MET   5          HG2       MET   5 245.498  38.933   3.774
   39   2HG   MET   5          HG1       MET   5 247.106  39.027   4.484
   40   1HE   MET   5          HE1       MET   5 243.807  39.991   5.976
   41   2HE   MET   5          HE2       MET   5 244.981  40.399   7.223
   42   3HE   MET   5          HE3       MET   5 245.216  38.956   6.238
   43    H    LYS   6           HN       LYS   6 247.104  40.159  -0.254
   44    HA   LYS   6           HA       LYS   6 248.359  42.602  -0.861
   45   1HB   LYS   6          HB2       LYS   6 247.452  40.315  -2.614
   46   2HB   LYS   6          HB1       LYS   6 248.314  41.706  -3.278
   47   1HG   LYS   6          HG2       LYS   6 250.182  41.300  -1.718
   48   2HG   LYS   6          HG1       LYS   6 249.322  39.909  -1.052
   49   1HD   LYS   6          HD2       LYS   6 249.379  38.779  -3.205
   50   2HD   LYS   6          HD1       LYS   6 250.107  40.192  -3.965
   51   1HE   LYS   6          HE2       LYS   6 251.416  38.780  -1.637
   52   2HE   LYS   6          HE1       LYS   6 251.711  38.298  -3.305
   53   1HZ   LYS   6          HZ1       LYS   6 251.912  41.104  -3.056
   54   2HZ   LYS   6          HZ2       LYS   6 253.093  39.991  -3.560
   55   3HZ   LYS   6          HZ3       LYS   6 252.919  40.363  -1.911
   56    H    GLY   7           HN       GLY   7 245.350  41.345  -2.358
   57   1HA   GLY   7          HA2       GLY   7 244.690  43.645  -3.835
   58   2HA   GLY   7          HA1       GLY   7 243.491  42.516  -3.193
   59    H    LEU   8           HN       LEU   8 244.314  43.005  -0.395
   60    HA   LEU   8           HA       LEU   8 242.609  45.304   0.101
   61   1HB   LEU   8          HB2       LEU   8 242.927  43.185   1.569
   62   2HB   LEU   8          HB1       LEU   8 244.383  43.986   2.160
   63    HG   LEU   8           HG       LEU   8 242.731  46.035   2.528
   64   1HD1  LEU   8          HD11      LEU   8 240.843  43.666   2.723
   65   2HD1  LEU   8          HD12      LEU   8 240.795  44.879   1.444
   66   3HD1  LEU   8          HD13      LEU   8 240.465  45.346   3.109
   67   1HD2  LEU   8          HD21      LEU   8 242.752  43.578   4.310
   68   2HD2  LEU   8          HD22      LEU   8 242.266  45.194   4.822
   69   3HD2  LEU   8          HD23      LEU   8 243.934  44.885   4.335
   70    H    SER   9           HN       SER   9 246.074  44.641   0.711
   71    HA   SER   9           HA       SER   9 246.689  47.286   1.615
   72   1HB   SER   9          HB2       SER   9 248.328  45.669   2.111
   73   2HB   SER   9          HB1       SER   9 248.325  45.026   0.468
   74    HG   SER   9           HG       SER   9 249.194  47.626   1.231
   75    H    LYS  10           HN       LYS  10 246.155  45.972  -1.550
   76    HA   LYS  10           HA       LYS  10 247.591  48.048  -2.994
   77   1HB   LYS  10          HB2       LYS  10 247.054  45.794  -3.959
   78   2HB   LYS  10          HB1       LYS  10 245.355  46.256  -3.981
   79   1HG   LYS  10          HG2       LYS  10 245.850  48.139  -5.465
   80   2HG   LYS  10          HG1       LYS  10 247.569  47.756  -5.397
   81   1HD   LYS  10          HD2       LYS  10 247.122  45.554  -6.413
   82   2HD   LYS  10          HD1       LYS  10 245.408  45.938  -6.495
   83   1HE   LYS  10          HE2       LYS  10 246.225  46.465  -8.654
   84   2HE   LYS  10          HE1       LYS  10 246.129  48.028  -7.837
   85   1HZ   LYS  10          HZ1       LYS  10 248.577  47.304  -7.148
   86   2HZ   LYS  10          HZ2       LYS  10 248.242  48.168  -8.576
   87   3HZ   LYS  10          HZ3       LYS  10 248.467  46.480  -8.632
   88    H    ALA  11           HN       ALA  11 244.213  47.524  -2.017
   89    HA   ALA  11           HA       ALA  11 243.162  49.824  -3.385
   90   1HB   ALA  11          HB1       ALA  11 242.095  48.550  -0.851
   91   2HB   ALA  11          HB2       ALA  11 241.790  47.917  -2.468
   92   3HB   ALA  11          HB3       ALA  11 241.187  49.513  -2.014
   93    H    LYS  12           HN       LYS  12 244.266  49.328  -0.024
   94    HA   LYS  12           HA       LYS  12 243.707  51.906   0.974
   95   1HB   LYS  12          HB2       LYS  12 244.557  49.945   2.302
   96   2HB   LYS  12          HB1       LYS  12 246.159  50.255   1.642
   97   1HG   LYS  12          HG2       LYS  12 246.152  52.514   2.591
   98   2HG   LYS  12          HG1       LYS  12 244.525  52.269   3.212
   99   1HD   LYS  12          HD2       LYS  12 246.808  50.442   3.981
  100   2HD   LYS  12          HD1       LYS  12 246.479  51.927   4.864
  101   1HE   LYS  12          HE2       LYS  12 244.083  51.077   5.147
  102   2HE   LYS  12          HE1       LYS  12 244.664  49.523   4.554
  103   1HZ   LYS  12          HZ1       LYS  12 246.382  50.585   6.550
  104   2HZ   LYS  12          HZ2       LYS  12 245.598  49.079   6.492
  105   3HZ   LYS  12          HZ3       LYS  12 244.794  50.437   7.129
  106    H    GLU  13           HN       GLU  13 246.347  50.796  -1.084
  107    HA   GLU  13           HA       GLU  13 247.994  53.135  -0.835
  108   1HB   GLU  13          HB2       GLU  13 248.772  50.983  -1.826
  109   2HB   GLU  13          HB1       GLU  13 247.720  51.270  -3.212
  110   1HG   GLU  13          HG2       GLU  13 248.924  53.343  -3.730
  111   2HG   GLU  13          HG1       GLU  13 249.945  53.123  -2.312
  112    H    GLY  14           HN       GLY  14 245.200  52.356  -2.839
  113   1HA   GLY  14          HA2       GLY  14 245.485  54.744  -4.502
  114   2HA   GLY  14          HA1       GLY  14 244.099  53.654  -4.484
  115    H    VAL  15           HN       VAL  15 243.427  53.755  -1.761
  116    HA   VAL  15           HA       VAL  15 241.817  56.086  -1.632
  117    HB   VAL  15           HB       VAL  15 242.829  54.338   0.631
  118   1HG1  VAL  15          HG11      VAL  15 242.006  56.382   1.581
  119   2HG1  VAL  15          HG12      VAL  15 240.707  55.203   1.748
  120   3HG1  VAL  15          HG13      VAL  15 240.634  56.419   0.474
  121   1HG2  VAL  15          HG21      VAL  15 240.186  54.281  -0.854
  122   2HG2  VAL  15          HG22      VAL  15 240.751  53.127   0.355
  123   3HG2  VAL  15          HG23      VAL  15 241.537  53.208  -1.221
  124    H    VAL  16           HN       VAL  16 245.046  55.431  -0.311
  125    HA   VAL  16           HA       VAL  16 245.233  57.947   1.111
  126    HB   VAL  16           HB       VAL  16 247.351  56.000   0.154
  127   1HG1  VAL  16          HG11      VAL  16 247.538  58.499   1.850
  128   2HG1  VAL  16          HG12      VAL  16 248.459  58.105   0.398
  129   3HG1  VAL  16          HG13      VAL  16 248.760  57.229   1.901
  130   1HG2  VAL  16          HG21      VAL  16 247.395  55.315   2.503
  131   2HG2  VAL  16          HG22      VAL  16 245.753  55.178   1.883
  132   3HG2  VAL  16          HG23      VAL  16 246.198  56.544   2.910
  133    H    ALA  17           HN       ALA  17 246.515  56.795  -2.021
  134    HA   ALA  17           HA       ALA  17 247.814  59.201  -2.776
  135   1HB   ALA  17          HB1       ALA  17 248.206  57.226  -4.086
  136   2HB   ALA  17          HB2       ALA  17 247.383  58.374  -5.148
  137   3HB   ALA  17          HB3       ALA  17 246.484  57.039  -4.427
  138    H    ALA  18           HN       ALA  18 244.433  58.179  -3.157
  139    HA   ALA  18           HA       ALA  18 243.626  60.477  -4.698
  140   1HB   ALA  18          HB1       ALA  18 241.918  58.771  -2.862
  141   2HB   ALA  18          HB2       ALA  18 242.317  58.339  -4.524
  142   3HB   ALA  18          HB3       ALA  18 241.353  59.778  -4.195
  143    H    ALA  19           HN       ALA  19 243.880  59.815  -1.241
  144    HA   ALA  19           HA       ALA  19 242.412  62.083  -0.307
  145   1HB   ALA  19          HB1       ALA  19 243.779  61.792   1.782
  146   2HB   ALA  19          HB2       ALA  19 244.734  60.579   0.931
  147   3HB   ALA  19          HB3       ALA  19 243.020  60.300   1.227
  148    H    GLU  20           HN       GLU  20 245.951  61.672  -0.720
  149    HA   GLU  20           HA       GLU  20 246.737  64.289  -0.089
  150   1HB   GLU  20          HB2       GLU  20 247.853  62.405  -2.187
  151   2HB   GLU  20          HB1       GLU  20 248.659  63.886  -1.666
  152   1HG   GLU  20          HG2       GLU  20 248.759  63.060   0.635
  153   2HG   GLU  20          HG1       GLU  20 247.868  61.609   0.175
  154    H    LYS  21           HN       LYS  21 245.544  63.022  -3.194
  155    HA   LYS  21           HA       LYS  21 245.852  65.530  -4.598
  156   1HB   LYS  21          HB2       LYS  21 245.582  63.157  -5.584
  157   2HB   LYS  21          HB1       LYS  21 243.853  63.386  -5.324
  158   1HG   LYS  21          HG2       LYS  21 243.861  65.377  -6.730
  159   2HG   LYS  21          HG1       LYS  21 245.614  65.285  -6.907
  160   1HD   LYS  21          HD2       LYS  21 245.377  63.084  -8.011
  161   2HD   LYS  21          HD1       LYS  21 243.626  63.201  -7.856
  162   1HE   LYS  21          HE2       LYS  21 243.624  65.236  -9.234
  163   2HE   LYS  21          HE1       LYS  21 245.380  65.158  -9.368
  164   1HZ   LYS  21          HZ1       LYS  21 243.347  63.378 -10.543
  165   2HZ   LYS  21          HZ2       LYS  21 244.918  62.795 -10.252
  166   3HZ   LYS  21          HZ3       LYS  21 244.680  64.116 -11.287
  167    H    THR  22           HN       THR  22 242.928  63.854  -3.366
  168    HA   THR  22           HA       THR  22 241.111  65.964  -3.865
  169    HB   THR  22           HB       THR  22 240.976  64.113  -1.477
  170    HG1  THR  22           HG1      THR  22 239.647  63.270  -3.654
  171   1HG2  THR  22          HG21      THR  22 239.254  65.799  -1.485
  172   2HG2  THR  22          HG22      THR  22 238.519  64.277  -1.994
  173   3HG2  THR  22          HG23      THR  22 238.913  65.509  -3.195
  174    H    LYS  23           HN       LYS  23 243.370  65.466  -1.202
  175    HA   LYS  23           HA       LYS  23 242.307  67.603   0.446
  176   1HB   LYS  23          HB2       LYS  23 243.717  65.730   1.327
  177   2HB   LYS  23          HB1       LYS  23 245.098  66.410   0.461
  178   1HG   LYS  23          HG2       LYS  23 244.882  68.505   1.717
  179   2HG   LYS  23          HG1       LYS  23 243.465  67.872   2.561
  180   1HD   LYS  23          HD2       LYS  23 244.847  66.058   3.513
  181   2HD   LYS  23          HD1       LYS  23 246.263  66.711   2.687
  182   1HE   LYS  23          HE2       LYS  23 246.027  68.827   3.928
  183   2HE   LYS  23          HE1       LYS  23 244.596  68.193   4.741
  184   1HZ   LYS  23          HZ1       LYS  23 247.411  67.515   5.125
  185   2HZ   LYS  23          HZ2       LYS  23 246.276  66.261   5.300
  186   3HZ   LYS  23          HZ3       LYS  23 246.163  67.655   6.264
  187    H    GLN  24           HN       GLN  24 244.613  67.400  -2.186
  188    HA   GLN  24           HA       GLN  24 245.659  70.104  -1.731
  189   1HB   GLN  24          HB2       GLN  24 247.029  68.276  -2.767
  190   2HB   GLN  24          HB1       GLN  24 245.954  68.320  -4.165
  191   1HG   GLN  24          HG2       GLN  24 246.534  70.653  -4.585
  192   2HG   GLN  24          HG1       GLN  24 247.531  70.687  -3.134
  193   1HE2  GLN  24          HE21      GLN  24 248.693  71.268  -5.648
  194   2HE2  GLN  24          HE22      GLN  24 249.748  70.009  -6.075
  195    H    GLY  25           HN       GLY  25 243.066  68.608  -3.509
  196   1HA   GLY  25          HA2       GLY  25 242.667  70.754  -5.408
  197   2HA   GLY  25          HA1       GLY  25 241.488  69.504  -5.008
  198    H    VAL  26           HN       VAL  26 241.033  69.886  -2.346
  199    HA   VAL  26           HA       VAL  26 239.272  72.123  -2.292
  200    HB   VAL  26           HB       VAL  26 239.226  71.709   0.196
  201   1HG1  VAL  26          HG11      VAL  26 237.804  70.446  -1.424
  202   2HG1  VAL  26          HG12      VAL  26 238.221  69.492  -0.003
  203   3HG1  VAL  26          HG13      VAL  26 239.061  69.215  -1.527
  204   1HG2  VAL  26          HG21      VAL  26 241.289  69.610  -0.549
  205   2HG2  VAL  26          HG22      VAL  26 240.512  69.762   1.026
  206   3HG2  VAL  26          HG23      VAL  26 241.586  71.035   0.446
  207    H    ALA  27           HN       ALA  27 242.642  71.767  -1.315
  208    HA   ALA  27           HA       ALA  27 242.938  74.148   0.192
  209   1HB   ALA  27          HB1       ALA  27 244.843  72.620  -1.585
  210   2HB   ALA  27          HB2       ALA  27 244.777  72.644   0.176
  211   3HB   ALA  27          HB3       ALA  27 245.350  74.057  -0.703
  212    H    GLU  28           HN       GLU  28 243.528  73.662  -3.312
  213    HA   GLU  28           HA       GLU  28 243.937  76.460  -3.840
  214   1HB   GLU  28          HB2       GLU  28 243.144  74.168  -5.659
  215   2HB   GLU  28          HB1       GLU  28 243.550  75.787  -6.232
  216   1HG   GLU  28          HG2       GLU  28 245.781  75.609  -5.260
  217   2HG   GLU  28          HG1       GLU  28 245.384  74.034  -4.578
  218    H    ALA  29           HN       ALA  29 241.082  74.361  -3.914
  219    HA   ALA  29           HA       ALA  29 239.284  76.178  -5.162
  220   1HB   ALA  29          HB1       ALA  29 238.883  73.720  -4.566
  221   2HB   ALA  29          HB2       ALA  29 237.530  74.815  -4.290
  222   3HB   ALA  29          HB3       ALA  29 238.522  74.281  -2.934
  223    H    ALA  30           HN       ALA  30 240.159  75.768  -1.731
  224    HA   ALA  30           HA       ALA  30 238.356  77.610  -0.597
  225   1HB   ALA  30          HB1       ALA  30 241.230  77.007   0.162
  226   2HB   ALA  30          HB2       ALA  30 239.780  76.240   0.812
  227   3HB   ALA  30          HB3       ALA  30 240.116  77.933   1.172
  228    H    GLY  31           HN       GLY  31 241.740  78.314  -1.559
  229   1HA   GLY  31          HA2       GLY  31 241.523  81.135  -1.276
  230   2HA   GLY  31          HA1       GLY  31 242.707  80.320  -2.297
  231    H    LYS  32           HN       LYS  32 240.512  78.989  -3.855
  232    HA   LYS  32           HA       LYS  32 240.231  81.040  -5.872
  233   1HB   LYS  32          HB2       LYS  32 240.298  78.461  -6.185
  234   2HB   LYS  32          HB1       LYS  32 238.589  78.505  -5.772
  235   1HG   LYS  32          HG2       LYS  32 238.129  80.025  -7.616
  236   2HG   LYS  32          HG1       LYS  32 239.849  80.144  -7.987
  237   1HD   LYS  32          HD2       LYS  32 239.885  77.685  -8.422
  238   2HD   LYS  32          HD1       LYS  32 238.134  77.654  -8.185
  239   1HE   LYS  32          HE2       LYS  32 239.583  79.327 -10.262
  240   2HE   LYS  32          HE1       LYS  32 238.739  77.814 -10.589
  241   1HZ   LYS  32          HZ1       LYS  32 237.549  80.117 -10.863
  242   2HZ   LYS  32          HZ2       LYS  32 237.281  79.936  -9.194
  243   3HZ   LYS  32          HZ3       LYS  32 236.713  78.761 -10.282
  244    H    THR  33           HN       THR  33 237.957  79.524  -3.577
  245    HA   THR  33           HA       THR  33 235.665  81.039  -4.410
  246    HB   THR  33           HB       THR  33 236.207  79.952  -1.635
  247    HG1  THR  33           HG1      THR  33 236.519  78.413  -3.351
  248   1HG2  THR  33          HG21      THR  33 233.701  79.665  -1.699
  249   2HG2  THR  33          HG22      THR  33 233.699  80.586  -3.203
  250   3HG2  THR  33          HG23      THR  33 234.244  81.343  -1.705
  251    H    LYS  34           HN       LYS  34 238.423  81.788  -2.446
  252    HA   LYS  34           HA       LYS  34 237.337  83.944  -0.912
  253   1HB   LYS  34          HB2       LYS  34 239.625  82.751  -0.682
  254   2HB   LYS  34          HB1       LYS  34 240.179  83.857  -1.940
  255   1HG   LYS  34          HG2       LYS  34 239.565  85.783  -0.568
  256   2HG   LYS  34          HG1       LYS  34 238.897  84.721   0.667
  257   1HD   LYS  34          HD2       LYS  34 241.112  83.721   1.033
  258   2HD   LYS  34          HD1       LYS  34 241.793  84.756  -0.224
  259   1HE   LYS  34          HE2       LYS  34 242.252  85.762   1.944
  260   2HE   LYS  34          HE1       LYS  34 241.062  86.754   1.100
  261   1HZ   LYS  34          HZ1       LYS  34 240.213  86.505   3.241
  262   2HZ   LYS  34          HZ2       LYS  34 240.625  84.858   3.325
  263   3HZ   LYS  34          HZ3       LYS  34 239.347  85.364   2.328
  264    H    GLU  35           HN       GLU  35 238.710  83.783  -4.173
  265    HA   GLU  35           HA       GLU  35 238.545  86.682  -4.554
  266   1HB   GLU  35          HB2       GLU  35 240.267  85.311  -5.703
  267   2HB   GLU  35          HB1       GLU  35 238.990  84.457  -6.569
  268   1HG   GLU  35          HG2       GLU  35 238.269  86.563  -7.620
  269   2HG   GLU  35          HG1       GLU  35 239.498  87.445  -6.718
  270    H    GLY  36           HN       GLY  36 236.443  83.962  -4.938
  271   1HA   GLY  36          HA2       GLY  36 234.747  84.855  -7.019
  272   2HA   GLY  36          HA1       GLY  36 234.220  83.837  -5.677
  273    H    VAL  37           HN       VAL  37 234.276  85.326  -3.493
  274    HA   VAL  37           HA       VAL  37 232.064  87.081  -3.703
  275    HB   VAL  37           HB       VAL  37 232.712  87.861  -1.434
  276   1HG1  VAL  37          HG11      VAL  37 232.431  85.744  -0.359
  277   2HG1  VAL  37          HG12      VAL  37 233.189  84.882  -1.697
  278   3HG1  VAL  37          HG13      VAL  37 231.596  85.613  -1.906
  279   1HG2  VAL  37          HG21      VAL  37 235.144  87.956  -1.770
  280   2HG2  VAL  37          HG22      VAL  37 235.201  86.210  -1.988
  281   3HG2  VAL  37          HG23      VAL  37 234.769  86.890  -0.420
  282    H    LEU  38           HN       LEU  38 235.509  87.686  -4.068
  283    HA   LEU  38           HA       LEU  38 235.136  90.608  -4.112
  284   1HB   LEU  38          HB2       LEU  38 237.220  89.459  -3.211
  285   2HB   LEU  38          HB1       LEU  38 237.597  89.009  -4.872
  286    HG   LEU  38           HG       LEU  38 237.316  91.565  -5.381
  287   1HD1  LEU  38          HD11      LEU  38 236.427  92.326  -3.263
  288   2HD1  LEU  38          HD12      LEU  38 238.066  92.950  -3.399
  289   3HD1  LEU  38          HD13      LEU  38 237.740  91.555  -2.372
  290   1HD2  LEU  38          HD21      LEU  38 239.637  90.309  -3.909
  291   2HD2  LEU  38          HD22      LEU  38 239.729  91.936  -4.581
  292   3HD2  LEU  38          HD23      LEU  38 239.456  90.555  -5.646
  293    H    TYR  39           HN       TYR  39 234.422  91.609  -5.932
  294    HA   TYR  39           HA       TYR  39 234.190  90.241  -8.457
  295   1HB   TYR  39          HB2       TYR  39 233.843  93.115  -7.556
  296   2HB   TYR  39          HB1       TYR  39 233.782  92.714  -9.276
  297    HD1  TYR  39           HD1      TYR  39 231.956  91.447 -10.209
  298    HD2  TYR  39           HD2      TYR  39 232.157  92.187  -5.985
  299    HE1  TYR  39           HE1      TYR  39 229.616  90.671  -9.962
  300    HE2  TYR  39           HE2      TYR  39 229.819  91.408  -5.741
  301    HH   TYR  39           HH       TYR  39 227.925  90.352  -8.575
  302    H    VAL  40           HN       VAL  40 235.285  90.940 -10.474
  303    HA   VAL  40           HA       VAL  40 237.937  92.229 -10.116
  304    HB   VAL  40           HB       VAL  40 237.701  89.569 -11.537
  305   1HG1  VAL  40          HG11      VAL  40 239.613  91.235 -11.951
  306   2HG1  VAL  40          HG12      VAL  40 240.076  89.590 -11.505
  307   3HG1  VAL  40          HG13      VAL  40 240.126  90.877 -10.302
  308   1HG2  VAL  40          HG21      VAL  40 238.777  88.610  -9.476
  309   2HG2  VAL  40          HG22      VAL  40 237.112  89.136  -9.226
  310   3HG2  VAL  40          HG23      VAL  40 238.448  90.135  -8.654
  311    H    GLY  41           HN       GLY  41 237.043  93.916 -11.414
  312   1HA   GLY  41          HA2       GLY  41 235.626  93.715 -13.805
  313   2HA   GLY  41          HA1       GLY  41 236.788  95.003 -13.484
  314    H    SER  42           HN       SER  42 238.727  92.465 -13.222
  315    HA   SER  42           HA       SER  42 239.730  92.757 -15.958
  316   1HB   SER  42          HB2       SER  42 241.132  92.486 -13.795
  317   2HB   SER  42          HB1       SER  42 240.757  90.769 -13.927
  318    HG   SER  42           HG       SER  42 241.969  92.403 -15.913
  319    H    LYS  43           HN       LYS  43 238.407  90.074 -13.991
  320    HA   LYS  43           HA       LYS  43 238.357  88.309 -16.350
  321   1HB   LYS  43          HB2       LYS  43 238.850  87.452 -14.045
  322   2HB   LYS  43          HB1       LYS  43 237.188  87.837 -13.589
  323   1HG   LYS  43          HG2       LYS  43 236.329  86.330 -15.305
  324   2HG   LYS  43          HG1       LYS  43 237.957  85.998 -15.877
  325   1HD   LYS  43          HD2       LYS  43 237.296  85.492 -12.976
  326   2HD   LYS  43          HD1       LYS  43 236.761  84.331 -14.184
  327   1HE   LYS  43          HE2       LYS  43 238.879  83.537 -13.458
  328   2HE   LYS  43          HE1       LYS  43 239.200  84.298 -15.014
  329   1HZ   LYS  43          HZ1       LYS  43 240.263  86.042 -14.047
  330   2HZ   LYS  43          HZ2       LYS  43 240.628  84.843 -12.900
  331   3HZ   LYS  43          HZ3       LYS  43 239.379  85.951 -12.604
  332    H    THR  44           HN       THR  44 236.887  89.610 -17.666
  333    HA   THR  44           HA       THR  44 234.107  89.911 -16.681
  334    HB   THR  44           HB       THR  44 235.368  90.678 -19.335
  335    HG1  THR  44           HG1      THR  44 235.583  92.654 -18.451
  336   1HG2  THR  44          HG21      THR  44 233.283  92.200 -19.356
  337   2HG2  THR  44          HG22      THR  44 232.641  91.118 -18.120
  338   3HG2  THR  44          HG23      THR  44 233.040  90.492 -19.719
  339    H    LYS  45           HN       LYS  45 232.327  89.156 -18.187
  340    HA   LYS  45           HA       LYS  45 232.355  86.385 -18.572
  341   1HB   LYS  45          HB2       LYS  45 230.807  88.370 -20.266
  342   2HB   LYS  45          HB1       LYS  45 230.388  86.680 -19.974
  343   1HG   LYS  45          HG2       LYS  45 230.138  87.148 -17.565
  344   2HG   LYS  45          HG1       LYS  45 230.570  88.835 -17.846
  345   1HD   LYS  45          HD2       LYS  45 228.609  88.999 -19.417
  346   2HD   LYS  45          HD1       LYS  45 228.138  87.377 -18.913
  347   1HE   LYS  45          HE2       LYS  45 228.422  89.799 -17.107
  348   2HE   LYS  45          HE1       LYS  45 226.912  89.030 -17.591
  349   1HZ   LYS  45          HZ1       LYS  45 227.563  87.029 -16.461
  350   2HZ   LYS  45          HZ2       LYS  45 227.680  88.333 -15.380
  351   3HZ   LYS  45          HZ3       LYS  45 229.083  87.679 -16.081
  352    H    GLU  46           HN       GLU  46 232.778  88.842 -21.152
  353    HA   GLU  46           HA       GLU  46 233.389  87.115 -23.266
  354   1HB   GLU  46          HB2       GLU  46 233.151  89.592 -23.470
  355   2HB   GLU  46          HB1       GLU  46 234.733  89.776 -22.708
  356   1HG   GLU  46          HG2       GLU  46 235.787  88.512 -24.522
  357   2HG   GLU  46          HG1       GLU  46 234.215  88.249 -25.273
  358    H    GLY  47           HN       GLY  47 235.456  88.160 -20.600
  359   1HA   GLY  47          HA2       GLY  47 237.913  87.124 -21.693
  360   2HA   GLY  47          HA1       GLY  47 237.622  87.485 -19.989
  361    H    VAL  48           HN       VAL  48 235.380  85.747 -19.622
  362    HA   VAL  48           HA       VAL  48 236.739  83.284 -19.060
  363    HB   VAL  48           HB       VAL  48 233.791  83.978 -19.151
  364   1HG1  VAL  48          HG11      VAL  48 235.231  81.457 -18.292
  365   2HG1  VAL  48          HG12      VAL  48 233.885  81.608 -19.421
  366   3HG1  VAL  48          HG13      VAL  48 233.622  81.867 -17.696
  367   1HG2  VAL  48          HG21      VAL  48 234.000  84.115 -16.735
  368   2HG2  VAL  48          HG22      VAL  48 235.253  85.127 -17.454
  369   3HG2  VAL  48          HG23      VAL  48 235.665  83.533 -16.808
  370    H    VAL  49           HN       VAL  49 234.375  84.182 -21.581
  371    HA   VAL  49           HA       VAL  49 234.169  81.658 -22.839
  372    HB   VAL  49           HB       VAL  49 234.088  84.436 -24.043
  373   1HG1  VAL  49          HG11      VAL  49 232.760  83.227 -25.861
  374   2HG1  VAL  49          HG12      VAL  49 233.403  81.725 -25.195
  375   3HG1  VAL  49          HG13      VAL  49 234.501  82.937 -25.860
  376   1HG2  VAL  49          HG21      VAL  49 231.684  84.205 -23.848
  377   2HG2  VAL  49          HG22      VAL  49 232.387  83.843 -22.273
  378   3HG2  VAL  49          HG23      VAL  49 231.845  82.531 -23.321
  379    H    HIS  50           HN       HIS  50 236.600  84.217 -23.232
  380    HA   HIS  50           HA       HIS  50 237.997  82.906 -25.396
  381   1HB   HIS  50          HB2       HIS  50 238.244  85.323 -24.930
  382   2HB   HIS  50          HB1       HIS  50 239.005  84.946 -23.387
  383    HD1  HIS  50           HD1      HIS  50 239.606  83.419 -26.840
  384    HD2  HIS  50           HD2      HIS  50 241.685  85.408 -23.822
  385    HE1  HIS  50           HE1      HIS  50 242.039  83.467 -27.563
  386    HE2  HIS  50           HE2      HIS  50 243.315  84.691 -25.736
  387    H    GLY  51           HN       GLY  51 238.067  82.620 -21.910
  388   1HA   GLY  51          HA2       GLY  51 240.622  81.305 -21.708
  389   2HA   GLY  51          HA1       GLY  51 239.339  81.231 -20.503
  390    H    VAL  52           HN       VAL  52 237.323  79.910 -21.477
  391    HA   VAL  52           HA       VAL  52 238.116  77.202 -21.655
  392    HB   VAL  52           HB       VAL  52 235.796  76.772 -22.435
  393   1HG1  VAL  52          HG11      VAL  52 236.078  77.044 -20.066
  394   2HG1  VAL  52          HG12      VAL  52 234.650  77.983 -20.513
  395   3HG1  VAL  52          HG13      VAL  52 236.191  78.798 -20.222
  396   1HG2  VAL  52          HG21      VAL  52 235.708  79.799 -22.627
  397   2HG2  VAL  52          HG22      VAL  52 234.292  78.748 -22.725
  398   3HG2  VAL  52          HG23      VAL  52 235.546  78.658 -23.961
  399    H    ALA  53           HN       ALA  53 237.718  79.636 -24.159
  400    HA   ALA  53           HA       ALA  53 237.722  77.822 -26.398
  401   1HB   ALA  53          HB1       ALA  53 238.768  80.662 -26.408
  402   2HB   ALA  53          HB2       ALA  53 237.043  80.285 -26.419
  403   3HB   ALA  53          HB3       ALA  53 238.069  79.764 -27.755
  404    H    THR  54           HN       THR  54 240.272  79.412 -24.533
  405    HA   THR  54           HA       THR  54 242.403  78.572 -26.328
  406    HB   THR  54           HB       THR  54 242.641  79.388 -23.423
  407    HG1  THR  54           HG1      THR  54 242.375  81.382 -24.037
  408   1HG2  THR  54          HG21      THR  54 244.579  79.707 -25.718
  409   2HG2  THR  54          HG22      THR  54 244.628  78.356 -24.590
  410   3HG2  THR  54          HG23      THR  54 244.894  80.000 -24.010
  411    H    VAL  55           HN       VAL  55 241.062  77.373 -23.257
  412    HA   VAL  55           HA       VAL  55 242.957  75.265 -22.877
  413    HB   VAL  55           HB       VAL  55 240.056  75.497 -22.012
  414   1HG1  VAL  55          HG11      VAL  55 242.224  73.503 -21.325
  415   2HG1  VAL  55          HG12      VAL  55 240.593  73.176 -21.899
  416   3HG1  VAL  55          HG13      VAL  55 240.846  73.789 -20.266
  417   1HG2  VAL  55          HG21      VAL  55 242.697  76.035 -20.608
  418   2HG2  VAL  55          HG22      VAL  55 241.117  76.080 -19.826
  419   3HG2  VAL  55          HG23      VAL  55 241.508  77.242 -21.095
  420    H    ALA  56           HN       ALA  56 240.270  75.615 -25.044
  421    HA   ALA  56           HA       ALA  56 239.831  72.791 -25.517
  422   1HB   ALA  56          HB1       ALA  56 238.228  74.704 -26.070
  423   2HB   ALA  56          HB2       ALA  56 238.436  73.486 -27.327
  424   3HB   ALA  56          HB3       ALA  56 239.260  75.037 -27.460
  425    H    GLU  57           HN       GLU  57 242.135  75.136 -26.659
  426    HA   GLU  57           HA       GLU  57 242.915  73.622 -29.026
  427   1HB   GLU  57          HB2       GLU  57 244.252  75.885 -27.517
  428   2HB   GLU  57          HB1       GLU  57 244.880  75.199 -29.018
  429   1HG   GLU  57          HG2       GLU  57 242.815  75.799 -30.188
  430   2HG   GLU  57          HG1       GLU  57 242.126  76.422 -28.689
  431    H    LYS  58           HN       LYS  58 244.140  73.983 -25.708
  432    HA   LYS  58           HA       LYS  58 246.456  72.303 -26.119
  433   1HB   LYS  58          HB2       LYS  58 244.957  73.104 -23.605
  434   2HB   LYS  58          HB1       LYS  58 246.471  72.200 -23.602
  435   1HG   LYS  58          HG2       LYS  58 247.596  74.026 -24.790
  436   2HG   LYS  58          HG1       LYS  58 246.082  74.931 -24.860
  437   1HD   LYS  58          HD2       LYS  58 245.999  74.998 -22.394
  438   2HD   LYS  58          HD1       LYS  58 247.513  74.090 -22.321
  439   1HE   LYS  58          HE2       LYS  58 248.675  75.900 -23.512
  440   2HE   LYS  58          HE1       LYS  58 247.162  76.804 -23.625
  441   1HZ   LYS  58          HZ1       LYS  58 248.169  75.915 -21.003
  442   2HZ   LYS  58          HZ2       LYS  58 247.126  77.201 -21.371
  443   3HZ   LYS  58          HZ3       LYS  58 248.784  77.325 -21.717
  444    H    THR  59           HN       THR  59 243.150  71.718 -24.959
  445    HA   THR  59           HA       THR  59 243.378  69.082 -24.051
  446    HB   THR  59           HB       THR  59 241.110  70.097 -25.782
  447    HG1  THR  59           HG1      THR  59 241.994  71.265 -23.708
  448   1HG2  THR  59          HG21      THR  59 241.182  67.655 -25.131
  449   2HG2  THR  59          HG22      THR  59 239.761  68.528 -24.561
  450   3HG2  THR  59          HG23      THR  59 241.085  68.175 -23.447
  451    H    LYS  60           HN       LYS  60 243.556  70.298 -27.327
  452    HA   LYS  60           HA       LYS  60 243.171  67.737 -28.627
  453   1HB   LYS  60          HB2       LYS  60 244.419  70.342 -29.548
  454   2HB   LYS  60          HB1       LYS  60 244.244  68.935 -30.591
  455   1HG   LYS  60          HG2       LYS  60 241.811  68.954 -30.250
  456   2HG   LYS  60          HG1       LYS  60 241.966  70.336 -29.170
  457   1HD   LYS  60          HD2       LYS  60 242.926  71.676 -31.007
  458   2HD   LYS  60          HD1       LYS  60 242.776  70.295 -32.093
  459   1HE   LYS  60          HE2       LYS  60 240.415  71.493 -30.626
  460   2HE   LYS  60          HE1       LYS  60 240.891  71.991 -32.249
  461   1HZ   LYS  60          HZ1       LYS  60 239.895  69.364 -31.345
  462   2HZ   LYS  60          HZ2       LYS  60 240.815  69.501 -32.762
  463   3HZ   LYS  60          HZ3       LYS  60 239.341  70.329 -32.620
  464    H    GLU  61           HN       GLU  61 246.013  69.588 -27.560
  465    HA   GLU  61           HA       GLU  61 247.936  67.725 -28.651
  466   1HB   GLU  61          HB2       GLU  61 248.159  69.806 -26.455
  467   2HB   GLU  61          HB1       GLU  61 249.530  68.895 -27.090
  468   1HG   GLU  61          HG2       GLU  61 249.125  69.784 -29.335
  469   2HG   GLU  61          HG1       GLU  61 247.690  70.633 -28.761
  470    H    GLN  62           HN       GLN  62 245.990  67.785 -25.776
  471    HA   GLN  62           HA       GLN  62 247.663  65.898 -24.294
  472   1HB   GLN  62          HB2       GLN  62 246.133  67.561 -23.190
  473   2HB   GLN  62          HB1       GLN  62 244.764  66.640 -23.816
  474   1HG   GLN  62          HG2       GLN  62 245.532  64.642 -22.609
  475   2HG   GLN  62          HG1       GLN  62 246.928  65.533 -22.004
  476   1HE2  GLN  62          HE21      GLN  62 246.465  67.390 -20.516
  477   2HE2  GLN  62          HE22      GLN  62 245.032  67.394 -19.610
  478    H    VAL  63           HN       VAL  63 244.340  65.636 -25.623
  479    HA   VAL  63           HA       VAL  63 244.056  62.860 -25.376
  480    HB   VAL  63           HB       VAL  63 242.428  63.007 -27.214
  481   1HG1  VAL  63          HG11      VAL  63 242.468  65.404 -25.358
  482   2HG1  VAL  63          HG12      VAL  63 241.715  63.842 -25.043
  483   3HG1  VAL  63          HG13      VAL  63 241.060  64.897 -26.296
  484   1HG2  VAL  63          HG21      VAL  63 243.591  64.357 -28.820
  485   2HG2  VAL  63          HG22      VAL  63 243.777  65.677 -27.666
  486   3HG2  VAL  63          HG23      VAL  63 242.185  65.298 -28.318
  487    H    THR  64           HN       THR  64 245.841  64.696 -27.798
  488    HA   THR  64           HA       THR  64 246.264  62.526 -29.633
  489    HB   THR  64           HB       THR  64 248.305  63.951 -30.298
  490    HG1  THR  64           HG1      THR  64 247.160  65.449 -28.206
  491   1HG2  THR  64          HG21      THR  64 246.760  65.846 -31.101
  492   2HG2  THR  64          HG22      THR  64 245.469  64.977 -30.273
  493   3HG2  THR  64          HG23      THR  64 246.343  64.206 -31.597
  494    H    ASN  65           HN       ASN  65 248.256  63.798 -26.949
  495    HA   ASN  65           HA       ASN  65 250.345  61.847 -27.247
  496   1HB   ASN  65          HB2       ASN  65 249.460  63.644 -24.995
  497   2HB   ASN  65          HB1       ASN  65 250.758  62.472 -24.758
  498   1HD2  ASN  65          HD21      ASN  65 252.206  62.567 -27.091
  499   2HD2  ASN  65          HD22      ASN  65 252.789  64.137 -27.378
  500    H    VAL  66           HN       VAL  66 247.485  61.979 -25.108
  501    HA   VAL  66           HA       VAL  66 248.034  59.357 -23.970
  502    HB   VAL  66           HB       VAL  66 245.469  60.977 -23.956
  503   1HG1  VAL  66          HG11      VAL  66 244.990  59.618 -21.923
  504   2HG1  VAL  66          HG12      VAL  66 246.443  58.672 -22.244
  505   3HG1  VAL  66          HG13      VAL  66 245.095  58.634 -23.381
  506   1HG2  VAL  66          HG21      VAL  66 246.224  61.815 -21.800
  507   2HG2  VAL  66          HG22      VAL  66 247.470  62.150 -22.997
  508   3HG2  VAL  66          HG23      VAL  66 247.666  60.804 -21.872
  509    H    GLY  67           HN       GLY  67 246.238  60.585 -26.713
  510   1HA   GLY  67          HA2       GLY  67 244.439  58.515 -27.249
  511   2HA   GLY  67          HA1       GLY  67 245.285  59.407 -28.514
  512    H    GLY  68           HN       GLY  68 247.949  58.562 -27.755
  513   1HA   GLY  68          HA2       GLY  68 247.953  55.950 -29.073
  514   2HA   GLY  68          HA1       GLY  68 249.377  56.857 -28.567
  515    H    ALA  69           HN       ALA  69 247.870  57.080 -25.835
  516    HA   ALA  69           HA       ALA  69 249.185  54.730 -24.674
  517   1HB   ALA  69          HB1       ALA  69 248.406  55.690 -22.515
  518   2HB   ALA  69          HB2       ALA  69 247.522  56.928 -23.407
  519   3HB   ALA  69          HB3       ALA  69 249.278  56.872 -23.488
  520    H    VAL  70           HN       VAL  70 245.825  55.957 -24.864
  521    HA   VAL  70           HA       VAL  70 244.601  53.761 -23.545
  522    HB   VAL  70           HB       VAL  70 242.548  54.421 -24.882
  523   1HG1  VAL  70          HG11      VAL  70 242.857  55.500 -22.782
  524   2HG1  VAL  70          HG12      VAL  70 242.545  56.801 -23.927
  525   3HG1  VAL  70          HG13      VAL  70 244.194  56.474 -23.394
  526   1HG2  VAL  70          HG21      VAL  70 244.513  56.432 -26.031
  527   2HG2  VAL  70          HG22      VAL  70 242.761  56.471 -26.266
  528   3HG2  VAL  70          HG23      VAL  70 243.712  55.137 -26.923
  529    H    VAL  71           HN       VAL  71 245.617  54.165 -26.914
  530    HA   VAL  71           HA       VAL  71 244.339  51.796 -27.917
  531    HB   VAL  71           HB       VAL  71 246.800  53.302 -28.854
  532   1HG1  VAL  71          HG11      VAL  71 245.302  50.970 -30.064
  533   2HG1  VAL  71          HG12      VAL  71 247.028  51.094 -29.733
  534   3HG1  VAL  71          HG13      VAL  71 246.310  52.047 -31.027
  535   1HG2  VAL  71          HG21      VAL  71 245.241  54.133 -30.587
  536   2HG2  VAL  71          HG22      VAL  71 244.668  54.547 -28.974
  537   3HG2  VAL  71          HG23      VAL  71 243.933  53.209 -29.851
  538    H    THR  72           HN       THR  72 247.614  52.392 -26.630
  539    HA   THR  72           HA       THR  72 248.524  49.687 -26.965
  540    HB   THR  72           HB       THR  72 250.252  50.355 -25.247
  541    HG1  THR  72           HG1      THR  72 250.116  52.703 -24.804
  542   1HG2  THR  72          HG21      THR  72 249.671  52.149 -27.608
  543   2HG2  THR  72          HG22      THR  72 250.777  50.776 -27.537
  544   3HG2  THR  72          HG23      THR  72 251.160  52.260 -26.672
  545    H    GLY  73           HN       GLY  73 246.926  51.394 -24.291
  546   1HA   GLY  73          HA2       GLY  73 247.126  49.312 -22.356
  547   2HA   GLY  73          HA1       GLY  73 245.875  50.553 -22.368
  548    H    VAL  74           HN       VAL  74 244.404  50.093 -24.557
  549    HA   VAL  74           HA       VAL  74 242.742  47.924 -23.927
  550    HB   VAL  74           HB       VAL  74 243.239  49.246 -26.613
  551   1HG1  VAL  74          HG11      VAL  74 241.161  47.239 -25.714
  552   2HG1  VAL  74          HG12      VAL  74 242.220  47.151 -27.119
  553   3HG1  VAL  74          HG13      VAL  74 240.895  48.315 -27.088
  554   1HG2  VAL  74          HG21      VAL  74 241.316  50.580 -26.067
  555   2HG2  VAL  74          HG22      VAL  74 242.366  50.617 -24.652
  556   3HG2  VAL  74          HG23      VAL  74 240.939  49.576 -24.664
  557    H    THR  75           HN       THR  75 245.559  48.020 -26.085
  558    HA   THR  75           HA       THR  75 245.286  45.419 -27.200
  559    HB   THR  75           HB       THR  75 247.912  46.744 -26.482
  560    HG1  THR  75           HG1      THR  75 247.093  48.297 -27.654
  561   1HG2  THR  75          HG21      THR  75 247.035  44.801 -28.633
  562   2HG2  THR  75          HG22      THR  75 248.175  44.497 -27.321
  563   3HG2  THR  75          HG23      THR  75 248.602  45.613 -28.628
  564    H    ALA  76           HN       ALA  76 246.812  46.507 -24.176
  565    HA   ALA  76           HA       ALA  76 247.854  43.949 -23.413
  566   1HB   ALA  76          HB1       ALA  76 248.077  44.898 -21.194
  567   2HB   ALA  76          HB2       ALA  76 246.903  46.158 -21.568
  568   3HB   ALA  76          HB3       ALA  76 248.476  46.155 -22.366
  569    H    VAL  77           HN       VAL  77 244.736  45.545 -22.797
  570    HA   VAL  77           HA       VAL  77 243.705  43.460 -21.095
  571    HB   VAL  77           HB       VAL  77 242.167  45.417 -22.830
  572   1HG1  VAL  77          HG11      VAL  77 241.439  43.759 -20.401
  573   2HG1  VAL  77          HG12      VAL  77 240.720  43.680 -22.008
  574   3HG1  VAL  77          HG13      VAL  77 240.452  45.097 -20.995
  575   1HG2  VAL  77          HG21      VAL  77 243.612  46.723 -21.450
  576   2HG2  VAL  77          HG22      VAL  77 243.382  45.649 -20.070
  577   3HG2  VAL  77          HG23      VAL  77 242.064  46.692 -20.605
  578    H    ALA  78           HN       ALA  78 243.782  43.967 -24.576
  579    HA   ALA  78           HA       ALA  78 241.837  42.032 -25.337
  580   1HB   ALA  78          HB1       ALA  78 244.365  42.947 -26.738
  581   2HB   ALA  78          HB2       ALA  78 242.733  43.582 -26.976
  582   3HB   ALA  78          HB3       ALA  78 243.128  41.941 -27.496
  583    H    GLN  79           HN       GLN  79 245.382  41.686 -24.967
  584    HA   GLN  79           HA       GLN  79 245.327  38.829 -25.427
  585   1HB   GLN  79          HB2       GLN  79 247.403  40.634 -24.147
  586   2HB   GLN  79          HB1       GLN  79 247.662  38.918 -24.486
  587   1HG   GLN  79          HG2       GLN  79 247.270  39.304 -26.876
  588   2HG   GLN  79          HG1       GLN  79 246.928  41.004 -26.563
  589   1HE2  GLN  79          HE21      GLN  79 248.932  40.981 -28.239
  590   2HE2  GLN  79          HE22      GLN  79 250.456  41.086 -27.501
  591    H    LYS  80           HN       LYS  80 244.591  40.824 -22.734
  592    HA   LYS  80           HA       LYS  80 245.141  38.782 -20.704
  593   1HB   LYS  80          HB2       LYS  80 245.127  41.376 -20.412
  594   2HB   LYS  80          HB1       LYS  80 243.375  41.200 -20.300
  595   1HG   LYS  80          HG2       LYS  80 243.603  39.672 -18.415
  596   2HG   LYS  80          HG1       LYS  80 245.353  39.684 -18.573
  597   1HD   LYS  80          HD2       LYS  80 245.343  42.139 -18.133
  598   2HD   LYS  80          HD1       LYS  80 243.602  42.050 -17.853
  599   1HE   LYS  80          HE2       LYS  80 245.666  40.436 -16.314
  600   2HE   LYS  80          HE1       LYS  80 244.943  41.938 -15.735
  601   1HZ   LYS  80          HZ1       LYS  80 243.065  39.936 -16.654
  602   2HZ   LYS  80          HZ2       LYS  80 243.008  40.941 -15.282
  603   3HZ   LYS  80          HZ3       LYS  80 243.932  39.514 -15.257
  604    H    THR  81           HN       THR  81 242.539  39.644 -22.818
  605    HA   THR  81           HA       THR  81 240.461  38.329 -21.227
  606    HB   THR  81           HB       THR  81 240.337  39.078 -24.158
  607    HG1  THR  81           HG1      THR  81 239.229  40.975 -22.945
  608   1HG2  THR  81          HG21      THR  81 237.973  39.116 -23.826
  609   2HG2  THR  81          HG22      THR  81 238.147  39.043 -22.069
  610   3HG2  THR  81          HG23      THR  81 238.543  37.630 -23.058
  611    H    VAL  82           HN       VAL  82 242.113  37.604 -24.326
  612    HA   VAL  82           HA       VAL  82 240.945  35.096 -24.816
  613    HB   VAL  82           HB       VAL  82 242.995  34.558 -26.092
  614   1HG1  VAL  82          HG11      VAL  82 241.468  36.001 -27.230
  615   2HG1  VAL  82          HG12      VAL  82 243.059  36.734 -27.441
  616   3HG1  VAL  82          HG13      VAL  82 241.935  37.391 -26.247
  617   1HG2  VAL  82          HG21      VAL  82 244.722  35.314 -24.618
  618   2HG2  VAL  82          HG22      VAL  82 244.058  36.945 -24.562
  619   3HG2  VAL  82          HG23      VAL  82 244.816  36.352 -26.037
  620    H    GLU  83           HN       GLU  83 243.655  35.919 -22.675
  621    HA   GLU  83           HA       GLU  83 244.393  33.233 -22.022
  622   1HB   GLU  83          HB2       GLU  83 244.635  35.815 -20.451
  623   2HB   GLU  83          HB1       GLU  83 245.344  34.287 -19.930
  624   1HG   GLU  83          HG2       GLU  83 246.673  34.160 -21.971
  625   2HG   GLU  83          HG1       GLU  83 245.912  35.622 -22.592
  626    H    GLY  84           HN       GLY  84 242.099  35.495 -20.490
  627   1HA   GLY  84          HA2       GLY  84 241.338  33.861 -18.307
  628   2HA   GLY  84          HA1       GLY  84 240.287  35.060 -19.061
  629    H    ALA  85           HN       ALA  85 240.577  33.619 -21.704
  630    HA   ALA  85           HA       ALA  85 238.215  32.057 -21.595
  631   1HB   ALA  85          HB1       ALA  85 239.372  33.012 -23.665
  632   2HB   ALA  85          HB2       ALA  85 238.724  31.384 -23.830
  633   3HB   ALA  85          HB3       ALA  85 240.454  31.623 -23.584
  634    H    GLY  86           HN       GLY  86 241.607  31.151 -21.173
  635   1HA   GLY  86          HA2       GLY  86 241.419  28.355 -21.314
  636   2HA   GLY  86          HA1       GLY  86 242.523  29.203 -20.229
  637    H    SER  87           HN       SER  87 240.681  30.485 -18.555
  638    HA   SER  87           HA       SER  87 240.058  28.433 -16.684
  639   1HB   SER  87          HB2       SER  87 240.311  30.823 -16.066
  640   2HB   SER  87          HB1       SER  87 238.818  31.189 -16.929
  641    HG   SER  87           HG       SER  87 238.525  30.858 -14.656
  642    H    ILE  88           HN       ILE  88 238.033  30.081 -19.103
  643    HA   ILE  88           HA       ILE  88 235.559  28.867 -18.371
  644    HB   ILE  88           HB       ILE  88 236.463  29.668 -21.152
  645   1HG1  ILE  88          HG12      ILE  88 235.077  31.319 -19.015
  646   2HG1  ILE  88          HG11      ILE  88 236.779  31.471 -19.451
  647   1HG2  ILE  88          HG21      ILE  88 234.374  28.339 -21.067
  648   2HG2  ILE  88          HG22      ILE  88 234.046  30.006 -21.527
  649   3HG2  ILE  88          HG23      ILE  88 233.716  29.465 -19.882
  650   1HD1  ILE  88          HD11      ILE  88 235.728  33.160 -20.730
  651   2HD1  ILE  88          HD12      ILE  88 234.349  32.134 -21.110
  652   3HD1  ILE  88          HD13      ILE  88 235.905  31.832 -21.876
  653    H    ALA  89           HN       ALA  89 238.118  27.814 -20.615
  654    HA   ALA  89           HA       ALA  89 236.856  25.538 -21.692
  655   1HB   ALA  89          HB1       ALA  89 239.166  24.609 -21.943
  656   2HB   ALA  89          HB2       ALA  89 239.766  25.918 -20.927
  657   3HB   ALA  89          HB3       ALA  89 239.037  26.284 -22.495
  658    H    ALA  90           HN       ALA  90 238.589  25.904 -18.606
  659    HA   ALA  90           HA       ALA  90 238.425  23.145 -17.838
  660   1HB   ALA  90          HB1       ALA  90 239.937  24.762 -16.728
  661   2HB   ALA  90          HB2       ALA  90 238.873  23.972 -15.558
  662   3HB   ALA  90          HB3       ALA  90 238.534  25.619 -16.083
  663    H    ALA  91           HN       ALA  91 236.327  25.944 -17.118
  664    HA   ALA  91           HA       ALA  91 234.457  24.640 -15.460
  665   1HB   ALA  91          HB1       ALA  91 234.367  27.049 -15.808
  666   2HB   ALA  91          HB2       ALA  91 232.825  26.346 -16.293
  667   3HB   ALA  91          HB3       ALA  91 234.001  26.821 -17.518
  668    H    THR  92           HN       THR  92 234.583  24.810 -19.017
  669    HA   THR  92           HA       THR  92 232.165  23.208 -19.324
  670    HB   THR  92           HB       THR  92 234.299  23.717 -21.410
  671    HG1  THR  92           HG1      THR  92 233.435  25.659 -21.726
  672   1HG2  THR  92          HG21      THR  92 232.456  23.438 -22.972
  673   2HG2  THR  92          HG22      THR  92 231.303  23.332 -21.647
  674   3HG2  THR  92          HG23      THR  92 232.484  22.049 -21.889
  675    H    GLY  93           HN       GLY  93 235.662  22.612 -19.768
  676   1HA   GLY  93          HA2       GLY  93 235.214  19.763 -20.244
  677   2HA   GLY  93          HA1       GLY  93 236.786  20.552 -20.081
  678    H    PHE  94           HN       PHE  94 234.200  18.952 -18.369
  679    HA   PHE  94           HA       PHE  94 234.992  19.509 -15.694
  680   1HB   PHE  94          HB2       PHE  94 233.797  16.938 -16.778
  681   2HB   PHE  94          HB1       PHE  94 233.749  17.486 -15.102
  682    HD1  PHE  94           HD1      PHE  94 232.278  19.290 -14.399
  683    HD2  PHE  94           HD2      PHE  94 232.481  18.081 -18.514
  684    HE1  PHE  94           HE1      PHE  94 230.231  20.604 -14.886
  685    HE2  PHE  94           HE2      PHE  94 230.432  19.392 -18.997
  686    HZ   PHE  94           HZ       PHE  94 229.312  20.656 -17.184
  687    H    VAL  95           HN       VAL  95 236.449  18.425 -14.305
  688    HA   VAL  95           HA       VAL  95 238.885  17.516 -15.371
  689    HB   VAL  95           HB       VAL  95 239.082  16.322 -13.034
  690   1HG1  VAL  95          HG11      VAL  95 240.146  18.459 -13.496
  691   2HG1  VAL  95          HG12      VAL  95 239.343  18.561 -11.931
  692   3HG1  VAL  95          HG13      VAL  95 238.607  19.303 -13.345
  693   1HG2  VAL  95          HG21      VAL  95 237.420  16.907 -11.419
  694   2HG2  VAL  95          HG22      VAL  95 236.519  16.328 -12.819
  695   3HG2  VAL  95          HG23      VAL  95 236.655  18.060 -12.512
  696    H    LYS  96           HN       LYS  96 238.825  15.908 -16.917
  697    HA   LYS  96           HA       LYS  96 237.115  13.726 -17.134
  698   1HB   LYS  96          HB2       LYS  96 239.105  14.473 -18.653
  699   2HB   LYS  96          HB1       LYS  96 240.062  13.368 -17.670
  700   1HG   LYS  96          HG2       LYS  96 238.570  11.511 -18.249
  701   2HG   LYS  96          HG1       LYS  96 237.521  12.609 -19.146
  702   1HD   LYS  96          HD2       LYS  96 239.334  13.115 -20.704
  703   2HD   LYS  96          HD1       LYS  96 240.436  12.086 -19.794
  704   1HE   LYS  96          HE2       LYS  96 239.587  10.837 -21.708
  705   2HE   LYS  96          HE1       LYS  96 238.927  10.148 -20.232
  706   1HZ   LYS  96          HZ1       LYS  96 237.559  11.267 -22.422
  707   2HZ   LYS  96          HZ2       LYS  96 237.203  12.173 -21.030
  708   3HZ   LYS  96          HZ3       LYS  96 236.920  10.495 -21.055
  709    H    LYS  97           HN       LYS  97 237.543  11.391 -16.607
  710    HA   LYS  97           HA       LYS  97 239.312  10.857 -14.316
  711   1HB   LYS  97          HB2       LYS  97 237.207   9.864 -13.088
  712   2HB   LYS  97          HB1       LYS  97 237.533  11.595 -12.977
  713   1HG   LYS  97          HG2       LYS  97 235.881  12.132 -14.587
  714   2HG   LYS  97          HG1       LYS  97 235.773  10.473 -15.163
  715   1HD   LYS  97          HD2       LYS  97 233.837  11.002 -13.755
  716   2HD   LYS  97          HD1       LYS  97 234.837   9.786 -12.976
  717   1HE   LYS  97          HE2       LYS  97 235.399  12.666 -12.342
  718   2HE   LYS  97          HE1       LYS  97 233.969  11.921 -11.626
  719   1HZ   LYS  97          HZ1       LYS  97 236.674  10.708 -11.503
  720   2HZ   LYS  97          HZ2       LYS  97 235.290  10.242 -10.633
  721   3HZ   LYS  97          HZ3       LYS  97 236.055  11.721 -10.293
  722    H    ASP  98           HN       ASP  98 240.292   9.144 -15.364
  723    HA   ASP  98           HA       ASP  98 238.597   7.111 -16.722
  724   1HB   ASP  98          HB2       ASP  98 240.736   8.067 -17.737
  725   2HB   ASP  98          HB1       ASP  98 241.611   7.137 -16.517
  726    H    GLN  99           HN       GLN  99 237.826   5.508 -15.439
  727    HA   GLN  99           HA       GLN  99 239.566   3.780 -13.956
  728   1HB   GLN  99          HB2       GLN  99 238.503   4.348 -11.666
  729   2HB   GLN  99          HB1       GLN  99 239.755   5.438 -12.264
  730   1HG   GLN  99          HG2       GLN  99 238.176   7.077 -12.932
  731   2HG   GLN  99          HG1       GLN  99 236.827   5.936 -12.833
  732   1HE2  GLN  99          HE21      GLN  99 239.167   7.737 -10.805
  733   2HE2  GLN  99          HE22      GLN  99 238.223   7.682  -9.393
  734    H    LEU 100           HN       LEU 100 236.338   5.012 -14.579
  735    HA   LEU 100           HA       LEU 100 235.170   2.316 -13.954
  736   1HB   LEU 100          HB2       LEU 100 233.879   5.058 -14.114
  737   2HB   LEU 100          HB1       LEU 100 232.989   3.561 -13.892
  738    HG   LEU 100           HG       LEU 100 235.211   4.451 -12.030
  739   1HD1  LEU 100          HD11      LEU 100 232.232   4.959 -11.931
  740   2HD1  LEU 100          HD12      LEU 100 233.540   6.145 -11.859
  741   3HD1  LEU 100          HD13      LEU 100 233.263   5.050 -10.501
  742   1HD2  LEU 100          HD21      LEU 100 233.125   2.258 -12.000
  743   2HD2  LEU 100          HD22      LEU 100 233.787   2.871 -10.488
  744   3HD2  LEU 100          HD23      LEU 100 234.852   2.140 -11.681
  745    H    GLY 101           HN       GLY 101 233.537   1.528 -15.448
  746   1HA   GLY 101          HA2       GLY 101 233.716   2.668 -18.216
  747   2HA   GLY 101          HA1       GLY 101 233.877   0.937 -17.932
  748    H    LYS 102           HN       LYS 102 231.780   1.896 -15.635
  749    HA   LYS 102           HA       LYS 102 229.492   1.485 -15.376
  750   1HB   LYS 102          HB2       LYS 102 229.642   3.755 -16.584
  751   2HB   LYS 102          HB1       LYS 102 229.189   2.872 -18.043
  752   1HG   LYS 102          HG2       LYS 102 227.126   2.111 -16.996
  753   2HG   LYS 102          HG1       LYS 102 227.592   2.849 -15.463
  754   1HD   LYS 102          HD2       LYS 102 227.611   5.079 -16.580
  755   2HD   LYS 102          HD1       LYS 102 227.035   4.310 -18.063
  756   1HE   LYS 102          HE2       LYS 102 225.596   4.283 -15.392
  757   2HE   LYS 102          HE1       LYS 102 225.156   5.275 -16.784
  758   1HZ   LYS 102          HZ1       LYS 102 225.056   2.331 -16.531
  759   2HZ   LYS 102          HZ2       LYS 102 225.021   3.107 -18.042
  760   3HZ   LYS 102          HZ3       LYS 102 223.793   3.398 -16.909
  761    H    ASN 103           HN       ASN 103 229.503  -0.802 -15.657
  762    HA   ASN 103           HA       ASN 103 228.265  -1.702 -18.206
  763   1HB   ASN 103          HB2       ASN 103 230.719  -2.971 -16.950
  764   2HB   ASN 103          HB1       ASN 103 229.811  -3.647 -18.299
  765   1HD2  ASN 103          HD21      ASN 103 232.614  -2.090 -17.799
  766   2HD2  ASN 103          HD22      ASN 103 232.700  -1.124 -19.192
  767    H    GLU 104           HN       GLU 104 226.462  -1.663 -16.531
  768    HA   GLU 104           HA       GLU 104 226.508  -3.471 -14.310
  769   1HB   GLU 104          HB2       GLU 104 224.126  -3.103 -14.165
  770   2HB   GLU 104          HB1       GLU 104 224.882  -1.576 -14.599
  771   1HG   GLU 104          HG2       GLU 104 223.484  -3.490 -16.498
  772   2HG   GLU 104          HG1       GLU 104 222.889  -1.924 -15.961
  773    H    GLU 105           HN       GLU 105 225.383  -3.842 -17.660
  774    HA   GLU 105           HA       GLU 105 226.068  -6.506 -18.011
  775   1HB   GLU 105          HB2       GLU 105 223.727  -6.270 -16.250
  776   2HB   GLU 105          HB1       GLU 105 223.310  -7.150 -17.708
  777   1HG   GLU 105          HG2       GLU 105 224.995  -8.797 -17.327
  778   2HG   GLU 105          HG1       GLU 105 225.760  -7.837 -16.069
  779    H    GLY 106           HN       GLY 106 226.034  -6.585 -20.200
  780   1HA   GLY 106          HA2       GLY 106 224.314  -4.781 -21.726
  781   2HA   GLY 106          HA1       GLY 106 225.481  -5.926 -22.398
  782    H    ALA 107           HN       ALA 107 222.859  -6.684 -20.139
  783    HA   ALA 107           HA       ALA 107 221.144  -8.262 -20.313
  784   1HB   ALA 107          HB1       ALA 107 220.070  -6.594 -21.678
  785   2HB   ALA 107          HB2       ALA 107 219.876  -8.138 -22.508
  786   3HB   ALA 107          HB3       ALA 107 221.092  -6.986 -23.060
  787    HA   PRO 108           HA       PRO 108 223.918 -11.143 -22.814
  788   1HB   PRO 108          HB2       PRO 108 225.328 -12.333 -20.844
  789   2HB   PRO 108          HB1       PRO 108 225.800 -10.744 -21.485
  790   1HG   PRO 108          HG2       PRO 108 224.265 -11.392 -19.001
  791   2HG   PRO 108          HG1       PRO 108 225.606 -10.255 -19.222
  792   1HD   PRO 108          HD2       PRO 108 222.972  -9.464 -19.192
  793   2HD   PRO 108          HD1       PRO 108 224.239  -8.604 -20.091
  794    H    GLN 109           HN       GLN 109 221.309 -11.681 -22.512
  795    HA   GLN 109           HA       GLN 109 220.511 -13.663 -20.653
  796   1HB   GLN 109          HB2       GLN 109 219.603 -13.201 -23.507
  797   2HB   GLN 109          HB1       GLN 109 218.787 -14.280 -22.370
  798   1HG   GLN 109          HG2       GLN 109 218.446 -12.386 -20.821
  799   2HG   GLN 109          HG1       GLN 109 219.249 -11.311 -21.966
  800   1HE2  GLN 109          HE21      GLN 109 217.607 -10.054 -22.887
  801   2HE2  GLN 109          HE22      GLN 109 216.160 -10.673 -23.515
  802    H    GLU 110           HN       GLU 110 220.109 -15.076 -23.711
  803    HA   GLU 110           HA       GLU 110 222.555 -16.602 -23.864
  804   1HB   GLU 110          HB2       GLU 110 221.530 -17.565 -21.771
  805   2HB   GLU 110          HB1       GLU 110 220.152 -18.083 -22.744
  806   1HG   GLU 110          HG2       GLU 110 221.623 -19.464 -24.138
  807   2HG   GLU 110          HG1       GLU 110 223.032 -18.902 -23.243
  808    H    GLY 111           HN       GLY 111 219.331 -15.871 -24.824
  809   1HA   GLY 111          HA2       GLY 111 219.847 -16.743 -27.534
  810   2HA   GLY 111          HA1       GLY 111 218.699 -17.815 -26.720
  811    H    ILE 112           HN       ILE 112 217.473 -16.724 -28.699
  812    HA   ILE 112           HA       ILE 112 216.472 -14.030 -28.191
  813    HB   ILE 112           HB       ILE 112 214.808 -14.753 -30.068
  814   1HG1  ILE 112          HG12      ILE 112 215.566 -17.260 -29.570
  815   2HG1  ILE 112          HG11      ILE 112 215.162 -16.753 -31.207
  816   1HG2  ILE 112          HG21      ILE 112 216.526 -13.226 -30.613
  817   2HG2  ILE 112          HG22      ILE 112 216.688 -14.528 -31.790
  818   3HG2  ILE 112          HG23      ILE 112 217.788 -14.442 -30.413
  819   1HD1  ILE 112          HD11      ILE 112 218.017 -16.477 -30.317
  820   2HD1  ILE 112          HD12      ILE 112 217.364 -16.802 -31.918
  821   3HD1  ILE 112          HD13      ILE 112 217.406 -18.083 -30.710
  822    H    LEU 113           HN       LEU 113 215.284 -17.338 -27.726
  823    HA   LEU 113           HA       LEU 113 212.624 -16.563 -26.923
  824   1HB   LEU 113          HB2       LEU 113 214.178 -19.063 -26.179
  825   2HB   LEU 113          HB1       LEU 113 212.437 -18.850 -26.045
  826    HG   LEU 113           HG       LEU 113 214.023 -18.740 -28.628
  827   1HD1  LEU 113          HD11      LEU 113 212.724 -20.868 -29.088
  828   2HD1  LEU 113          HD12      LEU 113 212.237 -20.854 -27.392
  829   3HD1  LEU 113          HD13      LEU 113 213.941 -21.008 -27.818
  830   1HD2  LEU 113          HD21      LEU 113 211.548 -18.968 -29.514
  831   2HD2  LEU 113          HD22      LEU 113 212.146 -17.383 -29.032
  832   3HD2  LEU 113          HD23      LEU 113 211.115 -18.305 -27.935
  833    H    GLU 114           HN       GLU 114 211.774 -16.652 -24.715
  834    HA   GLU 114           HA       GLU 114 213.207 -15.096 -22.850
  835   1HB   GLU 114          HB2       GLU 114 210.974 -17.093 -22.401
  836   2HB   GLU 114          HB1       GLU 114 211.559 -15.977 -21.169
  837   1HG   GLU 114          HG2       GLU 114 211.002 -14.064 -22.607
  838   2HG   GLU 114          HG1       GLU 114 210.463 -15.164 -23.878
  839    H    ASP 115           HN       ASP 115 213.933 -18.205 -23.811
  840    HA   ASP 115           HA       ASP 115 215.380 -19.836 -22.973
  841   1HB   ASP 115          HB2       ASP 115 216.757 -17.713 -22.560
  842   2HB   ASP 115          HB1       ASP 115 216.203 -17.804 -20.890
  843    H    MET 116           HN       MET 116 212.668 -19.679 -21.967
  844    HA   MET 116           HA       MET 116 213.073 -21.020 -19.321
  845   1HB   MET 116          HB2       MET 116 212.085 -18.619 -19.244
  846   2HB   MET 116          HB1       MET 116 210.636 -19.347 -19.927
  847   1HG   MET 116          HG2       MET 116 210.927 -21.089 -17.970
  848   2HG   MET 116          HG1       MET 116 211.895 -19.810 -17.237
  849   1HE   MET 116          HE1       MET 116 210.526 -17.142 -18.284
  850   2HE   MET 116          HE2       MET 116 211.190 -17.546 -16.704
  851   3HE   MET 116          HE3       MET 116 209.573 -16.857 -16.822
  852    HA   PRO 117           HA       PRO 117 210.135 -23.245 -22.424
  853   1HB   PRO 117          HB2       PRO 117 211.824 -25.049 -23.591
  854   2HB   PRO 117          HB1       PRO 117 211.563 -23.426 -24.263
  855   1HG   PRO 117          HG2       PRO 117 213.795 -24.401 -22.515
  856   2HG   PRO 117          HG1       PRO 117 213.875 -23.421 -23.995
  857   1HD   PRO 117          HD2       PRO 117 214.043 -22.283 -21.537
  858   2HD   PRO 117          HD1       PRO 117 213.232 -21.467 -22.901
  859    H    VAL 118           HN       VAL 118 212.454 -23.975 -20.022
  860    HA   VAL 118           HA       VAL 118 212.173 -26.742 -19.621
  861    HB   VAL 118           HB       VAL 118 213.737 -25.230 -18.379
  862   1HG1  VAL 118          HG11      VAL 118 211.879 -23.527 -17.919
  863   2HG1  VAL 118          HG12      VAL 118 212.957 -23.883 -16.570
  864   3HG1  VAL 118          HG13      VAL 118 211.351 -24.607 -16.629
  865   1HG2  VAL 118          HG21      VAL 118 211.942 -26.826 -16.533
  866   2HG2  VAL 118          HG22      VAL 118 213.662 -26.493 -16.325
  867   3HG2  VAL 118          HG23      VAL 118 213.121 -27.568 -17.617
  868    H    ASP 119           HN       ASP 119 210.554 -28.014 -18.824
  869    HA   ASP 119           HA       ASP 119 207.976 -26.701 -18.150
  870   1HB   ASP 119          HB2       ASP 119 208.557 -29.642 -18.596
  871   2HB   ASP 119          HB1       ASP 119 206.970 -28.869 -18.558
  872    HA   PRO 120           HA       PRO 120 209.033 -27.738 -13.869
  873   1HB   PRO 120          HB2       PRO 120 206.788 -26.817 -12.630
  874   2HB   PRO 120          HB1       PRO 120 208.036 -25.730 -13.277
  875   1HG   PRO 120          HG2       PRO 120 205.407 -26.505 -14.459
  876   2HG   PRO 120          HG1       PRO 120 206.199 -24.918 -14.418
  877   1HD   PRO 120          HD2       PRO 120 206.238 -26.573 -16.623
  878   2HD   PRO 120          HD1       PRO 120 207.512 -25.377 -16.273
  879    H    ASP 121           HN       ASP 121 206.466 -29.058 -15.698
  880    HA   ASP 121           HA       ASP 121 205.175 -30.677 -13.725
  881   1HB   ASP 121          HB2       ASP 121 204.461 -32.067 -15.671
  882   2HB   ASP 121          HB1       ASP 121 204.186 -30.342 -15.931
  883    H    ASN 122           HN       ASN 122 208.080 -31.211 -15.692
  884    HA   ASN 122           HA       ASN 122 209.101 -33.130 -13.794
  885   1HB   ASN 122          HB2       ASN 122 209.094 -35.094 -15.361
  886   2HB   ASN 122          HB1       ASN 122 207.485 -34.635 -14.810
  887   1HD2  ASN 122          HD21      ASN 122 208.492 -32.233 -16.908
  888   2HD2  ASN 122          HD22      ASN 122 207.796 -32.818 -18.341
  889    H    GLU 123           HN       GLU 123 209.914 -30.727 -15.318
  890    HA   GLU 123           HA       GLU 123 211.892 -29.931 -16.286
  891   1HB   GLU 123          HB2       GLU 123 212.799 -31.856 -14.711
  892   2HB   GLU 123          HB1       GLU 123 213.082 -32.704 -16.230
  893   1HG   GLU 123          HG2       GLU 123 214.118 -29.920 -15.593
  894   2HG   GLU 123          HG1       GLU 123 215.073 -31.404 -15.491
  895    H    ALA 124           HN       ALA 124 211.169 -33.225 -17.496
  896    HA   ALA 124           HA       ALA 124 210.780 -32.147 -20.199
  897   1HB   ALA 124          HB1       ALA 124 212.502 -33.561 -21.241
  898   2HB   ALA 124          HB2       ALA 124 213.006 -34.144 -19.649
  899   3HB   ALA 124          HB3       ALA 124 213.244 -32.451 -20.089
  900    H    TYR 125           HN       TYR 125 211.438 -35.040 -21.120
  901    HA   TYR 125           HA       TYR 125 208.810 -36.057 -21.131
  902   1HB   TYR 125          HB2       TYR 125 211.428 -37.595 -21.209
  903   2HB   TYR 125          HB1       TYR 125 209.858 -38.250 -21.670
  904    HD1  TYR 125           HD1      TYR 125 212.426 -35.699 -22.516
  905    HD2  TYR 125           HD2      TYR 125 208.843 -37.716 -23.776
  906    HE1  TYR 125           HE1      TYR 125 212.691 -34.751 -24.786
  907    HE2  TYR 125           HE2      TYR 125 209.113 -36.757 -26.053
  908    HH   TYR 125           HH       TYR 125 211.980 -34.887 -26.935
  909    H    GLU 126           HN       GLU 126 211.428 -37.610 -19.257
  910    HA   GLU 126           HA       GLU 126 209.748 -37.603 -16.826
  911   1HB   GLU 126          HB2       GLU 126 210.583 -40.155 -18.238
  912   2HB   GLU 126          HB1       GLU 126 210.040 -40.100 -16.563
  913   1HG   GLU 126          HG2       GLU 126 207.888 -39.122 -17.298
  914   2HG   GLU 126          HG1       GLU 126 208.426 -39.221 -18.973
  915    H    MET 127           HN       MET 127 211.522 -36.357 -15.953
  916    HA   MET 127           HA       MET 127 213.623 -36.078 -14.935
  917   1HB   MET 127          HB2       MET 127 213.887 -39.037 -14.532
  918   2HB   MET 127          HB1       MET 127 214.027 -37.727 -13.355
  919   1HG   MET 127          HG2       MET 127 211.441 -37.453 -13.769
  920   2HG   MET 127          HG1       MET 127 211.558 -39.126 -14.334
  921   1HE   MET 127          HE1       MET 127 212.509 -36.615 -11.655
  922   2HE   MET 127          HE2       MET 127 212.051 -37.411 -10.151
  923   3HE   MET 127          HE3       MET 127 210.812 -36.997 -11.332
  924    HA   PRO 128           HA       PRO 128 217.085 -37.012 -17.576
  925   1HB   PRO 128          HB2       PRO 128 218.208 -39.229 -15.897
  926   2HB   PRO 128          HB1       PRO 128 219.010 -37.773 -16.526
  927   1HG   PRO 128          HG2       PRO 128 218.334 -37.928 -13.974
  928   2HG   PRO 128          HG1       PRO 128 218.122 -36.413 -14.873
  929   1HD   PRO 128          HD2       PRO 128 216.054 -38.430 -14.071
  930   2HD   PRO 128          HD1       PRO 128 215.938 -36.654 -14.097
  931    H    SER 129           HN       SER 129 217.916 -38.564 -19.199
  932    HA   SER 129           HA       SER 129 215.903 -40.236 -20.262
  933   1HB   SER 129          HB2       SER 129 217.680 -41.113 -21.744
  934   2HB   SER 129          HB1       SER 129 217.751 -39.358 -21.610
  935    HG   SER 129           HG       SER 129 219.400 -41.321 -20.427
  936    H    GLU 130           HN       GLU 130 218.730 -41.113 -18.271
  937    HA   GLU 130           HA       GLU 130 219.366 -43.237 -17.443
  938   1HB   GLU 130          HB2       GLU 130 217.765 -44.049 -15.782
  939   2HB   GLU 130          HB1       GLU 130 217.854 -42.293 -15.727
  940   1HG   GLU 130          HG2       GLU 130 215.781 -42.108 -16.994
  941   2HG   GLU 130          HG1       GLU 130 215.710 -43.851 -17.205
  942    H    GLU 131           HN       GLU 131 217.372 -45.406 -16.917
  943    HA   GLU 131           HA       GLU 131 216.819 -46.330 -19.712
  944   1HB   GLU 131          HB2       GLU 131 218.242 -47.877 -17.526
  945   2HB   GLU 131          HB1       GLU 131 217.619 -48.608 -19.003
  946   1HG   GLU 131          HG2       GLU 131 219.052 -47.163 -20.359
  947   2HG   GLU 131          HG1       GLU 131 219.636 -46.348 -18.909
  948    H    GLY 132           HN       GLY 132 214.924 -45.240 -17.981
  949   1HA   GLY 132          HA2       GLY 132 212.720 -45.763 -17.303
  950   2HA   GLY 132          HA1       GLY 132 213.019 -47.428 -17.810
  951    H    TYR 133           HN       TYR 133 214.964 -48.368 -16.285
  952    HA   TYR 133           HA       TYR 133 215.409 -49.241 -14.156
  953   1HB   TYR 133          HB2       TYR 133 215.991 -46.702 -13.938
  954   2HB   TYR 133          HB1       TYR 133 214.504 -46.599 -12.998
  955    HD1  TYR 133           HD1      TYR 133 217.984 -47.521 -12.965
  956    HD2  TYR 133           HD2      TYR 133 214.230 -48.193 -10.996
  957    HE1  TYR 133           HE1      TYR 133 219.187 -48.410 -10.985
  958    HE2  TYR 133           HE2      TYR 133 215.429 -49.083  -9.014
  959    HH   TYR 133           HH       TYR 133 217.950 -50.259  -8.770
  960    H    GLN 134           HN       GLN 134 212.770 -47.025 -13.189
  961    HA   GLN 134           HA       GLN 134 210.858 -49.244 -13.044
  962   1HB   GLN 134          HB2       GLN 134 210.502 -49.204 -10.679
  963   2HB   GLN 134          HB1       GLN 134 212.236 -49.391 -10.917
  964   1HG   GLN 134          HG2       GLN 134 212.364 -46.818 -10.733
  965   2HG   GLN 134          HG1       GLN 134 210.716 -46.905 -10.103
  966   1HE2  GLN 134          HE21      GLN 134 210.691 -49.056  -8.430
  967   2HE2  GLN 134          HE22      GLN 134 211.862 -48.917  -7.216
  968    H    ASP 135           HN       ASP 135 208.918 -48.426 -13.565
  969    HA   ASP 135           HA       ASP 135 207.973 -45.859 -12.555
  970   1HB   ASP 135          HB2       ASP 135 209.455 -45.172 -14.470
  971   2HB   ASP 135          HB1       ASP 135 208.428 -46.124 -15.544
  972    H    TYR 136           HN       TYR 136 207.630 -48.820 -14.222
  973    HA   TYR 136           HA       TYR 136 204.649 -48.575 -14.110
  974   1HB   TYR 136          HB2       TYR 136 204.795 -50.163 -16.207
  975   2HB   TYR 136          HB1       TYR 136 204.984 -48.427 -16.420
  976    HD1  TYR 136           HD1      TYR 136 206.788 -51.648 -16.235
  977    HD2  TYR 136           HD2      TYR 136 207.110 -47.441 -16.997
  978    HE1  TYR 136           HE1      TYR 136 209.053 -52.001 -17.186
  979    HE2  TYR 136           HE2      TYR 136 209.380 -47.785 -17.942
  980    HH   TYR 136           HH       TYR 136 211.173 -50.500 -17.472
  981    H    GLU 137           HN       GLU 137 203.834 -50.130 -12.844
  982    HA   GLU 137           HA       GLU 137 205.380 -52.124 -11.571
  983   1HB   GLU 137          HB2       GLU 137 202.499 -51.445 -11.798
  984   2HB   GLU 137          HB1       GLU 137 202.814 -53.131 -11.397
  985   1HG   GLU 137          HG2       GLU 137 204.166 -50.863  -9.917
  986   2HG   GLU 137          HG1       GLU 137 202.579 -51.470  -9.438
  987    HA   PRO 138           HA       PRO 138 203.502 -55.477 -14.535
  988   1HB   PRO 138          HB2       PRO 138 202.431 -54.487 -16.918
  989   2HB   PRO 138          HB1       PRO 138 201.476 -54.927 -15.488
  990   1HG   PRO 138          HG2       PRO 138 202.453 -52.239 -16.352
  991   2HG   PRO 138          HG1       PRO 138 200.873 -52.702 -15.695
  992   1HD   PRO 138          HD2       PRO 138 202.684 -51.498 -14.141
  993   2HD   PRO 138          HD1       PRO 138 201.672 -52.804 -13.491
  994    H    GLU 139           HN       GLU 139 204.376 -56.357 -16.653
  995    HA   GLU 139           HA       GLU 139 207.088 -55.654 -17.007
  996   1HB   GLU 139          HB2       GLU 139 205.190 -57.022 -18.938
  997   2HB   GLU 139          HB1       GLU 139 206.940 -56.965 -19.139
  998   1HG   GLU 139          HG2       GLU 139 206.628 -59.026 -18.071
  999   2HG   GLU 139          HG1       GLU 139 207.020 -57.962 -16.722
 1000    H    ALA 140           HN       ALA 140 204.211 -54.299 -18.466
 1001    HA   ALA 140           HA       ALA 140 205.856 -52.152 -19.656
 1002   1HB   ALA 140          HB1       ALA 140 205.662 -53.979 -21.401
 1003   2HB   ALA 140          HB2       ALA 140 205.012 -52.418 -21.895
 1004   3HB   ALA 140          HB3       ALA 140 203.919 -53.708 -21.388