*HEADER    METAL BINDING PROTEIN                   21-SEP-06   2JM3              
*TITLE     SOLUTION STRUCTURE OF THE THAP DOMAIN FROM C. ELEGANS C-              
*TITLE    2 TERMINAL BINDING PROTEIN (CTBP)                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYPOTHETICAL PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL BINDING PROTEIN THAP DOMAIN, RESIDUES           
*COMPND   5 1-89;                                                                
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS;                         
*SOURCE   3 ORGANISM_COMMON: NEMATODE;                                           
*SOURCE   4 GENE: F49E10.5;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    PROTEIN, ZINC FINGER, DOMAIN                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.K.LIEW, M.CROSSLEY, J.P.MACKAY, H.R.NICHOLAS                        
*REVDAT   1   06-FEB-07 2JM3    0                                                


!    9 J= 5.61 
assign (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -60.00   40.00   2

!   18 J= 8.23
assign (resid   17 and name C ) (resid   18 and name N )
       (resid   18 and name CA) (resid   18 and name C )  1.00  -120.00   40.00   2

!   27 J= 9.6
assign (resid   26 and name C ) (resid   27 and name N )
       (resid   27 and name CA) (resid   27 and name C )  1.00  -120.00   40.00   2

!   28 J= 8.73
assign (resid   27 and name C ) (resid   28 and name N )
       (resid   28 and name CA) (resid   28 and name C )  1.00  -120.00   40.00   2

!   36 J= 3.68
assign (resid   35 and name C ) (resid   36 and name N )
       (resid   36 and name CA) (resid   36 and name C )  1.00  -60.00   40.00   2

!   39 J= 2.99
assign (resid   38 and name C ) (resid   39 and name N )
       (resid   39 and name CA) (resid   39 and name C )  1.00  -60.00   40.00   2

!   41 J= 4.98
assign (resid   40 and name C ) (resid   41 and name N )
       (resid   41 and name CA) (resid   41 and name C )  1.00  -60.00   40.00   2

!   42 J= 3.60
assign (resid   41 and name C ) (resid   42 and name N )
       (resid   42 and name CA) (resid   42 and name C )  1.00  -60.00   40.00   2

!   43 J= 4.29
assign (resid   42 and name C ) (resid   43 and name N )
       (resid   43 and name CA) (resid   43 and name C )  1.00  -60.00   40.00   2

!   44 J= 3.69
assign (resid   43 and name C ) (resid   44 and name N )
       (resid   44 and name CA) (resid   44 and name C )  1.00  -60.00   40.00   2

!   45 J= 9.34
assign (resid   44 and name C ) (resid   45 and name N )
       (resid   45 and name CA) (resid   45 and name C )  1.00  -120.00   40.00   2

!   47 J= 9.18
assign (resid   46 and name C ) (resid   47 and name N )
       (resid   47 and name CA) (resid   47 and name C )  1.00  -120.00   40.00   2

!   48 J= 8.89
assign (resid   47 and name C ) (resid   48 and name N )
       (resid   48 and name CA) (resid   48 and name C )  1.00  -120.00   40.00   2

!   50 J= 8.41
assign (resid   49 and name C ) (resid   50 and name N )
       (resid   50 and name CA) (resid   50 and name C )  1.00  -120.00   40.00   2

!   57 J= 9.50
assign (resid   56 and name C ) (resid   57 and name N )
       (resid   57 and name CA) (resid   57 and name C )  1.00  -120.00   40.00   2

!   58 J= 11.43
assign (resid   57 and name C ) (resid   58 and name N )
       (resid   58 and name CA) (resid   58 and name C )  1.00  -120.00   40.00   2

!   59 J= 4.51
assign (resid   58 and name C ) (resid   59 and name N )
       (resid   59 and name CA) (resid   59 and name C )  1.00  -60.00   40.00   2

!   60 J= 4.18
assign (resid   59 and name C ) (resid   60 and name N )
       (resid   60 and name CA) (resid   60 and name C )  1.00  -60.00   40.00   2

!   63 J= 10.18
assign (resid   62 and name C ) (resid   63 and name N )
       (resid   63 and name CA) (resid   63 and name C )  1.00  -120.00   40.00   2

!   64 J= 3.09
assign (resid   63 and name C ) (resid   64 and name N )
       (resid   64 and name CA) (resid   64 and name C )  1.00  -60.00   40.00   2

!   67 J= 8.62
assign (resid   66 and name C ) (resid   67 and name N )
       (resid   67 and name CA) (resid   67 and name C )  1.00  -120.00   40.00   2

!   68 J= 5.70
assign (resid   67 and name C ) (resid   68 and name N )
       (resid   68 and name CA) (resid   68 and name C )  1.00  -60.00   40.00   2

!   69 J= 8.23
assign (resid   68 and name C ) (resid   69 and name N )
       (resid   69 and name CA) (resid   69 and name C )  1.00  -120.00   40.00   2

!   75 J= 8.39
assign (resid   74 and name C ) (resid   75 and name N )
       (resid   75 and name CA) (resid   75 and name C )  1.00  -120.00   40.00   2

!   80 J= 10.36
assign (resid   79 and name C ) (resid   80 and name N )
       (resid   80 and name CA) (resid   80 and name C )  1.00  -120.00   40.00   2

!   83 J= 4.14
assign (resid   82 and name C ) (resid   83 and name N )
       (resid   83 and name CA) (resid   83 and name C )  1.00  -60.00   40.00   2

!   84 J= 8.56
assign (resid   83 and name C ) (resid   84 and name N )
       (resid   84 and name CA) (resid   84 and name C )  1.00  -120.00   40.00   2

!   86 J= 9.31
assign (resid   85 and name C ) (resid   86 and name N )
       (resid   86 and name CA) (resid   86 and name C )  1.00  -120.00   40.00   2


#Unambiguous NOEs for CtBP THAP domain

 ASSI {    1}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 62   and name HD2 ))
      2.700     0.900     0.900 peak     1 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1     10.741 ppm2      7.965 CV     1
 ASSI {    2}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 9    and name HE% )
      4.500     2.500     1.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.53710E-03 ppm1     10.740 ppm2      6.900 CV     1
 ASSI {    3}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.43701E-02 ppm1     10.741 ppm2      5.366 CV     1
 ASSI {    4}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.11644E-02 ppm1     10.741 ppm2      4.944 CV     1
 ASSI {    5}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.900     1.900     1.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.67242E-03 ppm1     10.741 ppm2      4.633 CV     1
 ASSI {    6}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.400     3.400     2.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.46520E-03 ppm1     10.741 ppm2      3.410 CV     1
 ASSI {    7}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.10643E-02 ppm1     10.741 ppm2      3.125 CV     1
 ASSI {    8}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.900     1.000     1.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.21146E-02 ppm1     10.742 ppm2      2.853 CV     1
 ASSI {    9}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      3.600     1.700     1.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.15084E-02 ppm1     10.741 ppm2      2.540 CV     1
 ASSI {   10}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.000     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.14661E-02 ppm1     10.741 ppm2      1.257 CV     1
 ASSI {   11}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.78805E-03 ppm1     10.740 ppm2      1.059 CV     1
 ASSI {   12}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HD1 ))
      2.600     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.35665E-02 ppm1     10.351 ppm2      7.618 CV     1
 ASSI {   13}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HZ2 ))
      2.900     1.000     1.000 peak    13 spectrum    1 weight  0.10000E+01 volume  0.18185E-02 ppm1     10.351 ppm2      7.456 CV     1
 ASSI {   14}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.25374E-02 ppm1     10.352 ppm2      4.074 CV     1
 ASSI {   15}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.900     1.900     1.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.63578E-03 ppm1     10.350 ppm2      2.404 CV     1
 ASSI {   16}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 73   and name HG12))
      4.100     2.100     1.900 peak    16 spectrum    1 weight  0.10000E+01 volume  0.67664E-03 ppm1     10.354 ppm2      1.564 CV     1
 ASSI {   18}
   (( segid "    " and resid 41   and name HE1 ))
   (  segid "    " and resid 37   and name HD1%)
      2.700     0.900     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.29040E-02 ppm1     10.352 ppm2      1.149 CV     1
 ASSI {   19}
   (( segid "    " and resid 41   and name HE1 ))
   (  segid "    " and resid 37   and name HD2%)
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.46379E-02 ppm1     10.351 ppm2      1.015 CV     1
 ASSI {   20}
   (( segid "    " and resid 41   and name HE1 ))
   (  segid "    " and resid 73   and name HD1%)
      3.500     1.500     1.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1     10.352 ppm2      0.871 CV     1
 ASSI {   22}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD% )
      3.800     1.800     1.800 peak    22 spectrum    1 weight  0.10000E+01 volume  0.82183E-03 ppm1     10.077 ppm2      6.655 CV     1
 ASSI {   23}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.900     1.900     1.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.48917E-03 ppm1     10.077 ppm2      5.373 CV     1
 ASSI {   24}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.500     1.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1     10.078 ppm2      4.604 CV     1
 ASSI {   25}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak    25 spectrum    1 weight  0.10000E+01 volume  0.16634E-02 ppm1     10.078 ppm2      4.058 CV     1
 ASSI {   27}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.000     2.000     2.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.74010E-03 ppm1     10.077 ppm2      3.399 CV     1
 ASSI {   28}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.34820E-02 ppm1     10.078 ppm2      3.165 CV     1
 ASSI {   29}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB3 ))
      3.300     1.400     1.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.33692E-02 ppm1     10.078 ppm2      2.405 CV     1
 ASSI {   30}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HD3 ))
      4.200     2.300     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.79227E-03 ppm1     10.077 ppm2      1.845 CV     1
 ASSI {   31}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.800     1.800     1.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.71892E-03 ppm1     10.077 ppm2      1.250 CV     1
 ASSI {   32}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.200     1.200     1.200 peak    32 spectrum    1 weight  0.10000E+01 volume  0.15648E-02 ppm1     10.078 ppm2      1.048 CV     1
 ASSI {   33}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.500     1.500     1.500 peak    33 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      9.433 ppm2      8.990 CV     1
 ASSI {   35}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      4.100     2.100     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.66536E-03 ppm1      9.420 ppm2      7.040 CV     1
 ASSI {   36}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.61745E-02 ppm1      9.421 ppm2      5.029 CV     1
 ASSI {   37}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.26502E-02 ppm1      9.421 ppm2      3.931 CV     1
 ASSI {   38}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.13646E-02 ppm1      9.421 ppm2      2.955 CV     1
 ASSI {   39}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.18749E-02 ppm1      9.419 ppm2      2.407 CV     1
 ASSI {   40}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
      2.300     0.700     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.70626E-02 ppm1      9.421 ppm2      2.160 CV     1
 OR {   40}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
 ASSI {   41}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 78   and name HG3 ))
      3.800     1.800     1.800 peak    41 spectrum    1 weight  0.10000E+01 volume  0.49622E-03 ppm1      9.422 ppm2      1.506 CV     1
 ASSI {   43}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.500     1.500 peak    43 spectrum    1 weight  0.10000E+01 volume  0.15789E-02 ppm1      9.288 ppm2      7.244 CV     1
 ASSI {   44}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.200     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.75560E-02 ppm1      9.289 ppm2      3.862 CV     1
 ASSI {   45}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.000     1.000 peak    45 spectrum    1 weight  0.10000E+01 volume  0.16353E-02 ppm1      9.290 ppm2      2.945 CV     1
 ASSI {   46}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      4.400     2.400     1.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.75276E-03 ppm1      9.289 ppm2      2.809 CV     1
 ASSI {   47}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.41727E-02 ppm1      9.289 ppm2      1.878 CV     1
 OR {   47}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
 ASSI {   48}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HD3 ))
      4.600     2.700     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.34256E-03 ppm1      9.287 ppm2      1.698 CV     1
 OR {   48}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI {   49}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.21851E-02 ppm1      9.290 ppm2      1.517 CV     1
 ASSI {   50}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.200     1.300     1.300 peak    50 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      9.289 ppm2      0.713 CV     1
 ASSI {   52}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 62   and name HE1 ))
      3.700     1.700     1.700 peak    52 spectrum    1 weight  0.10000E+01 volume  0.10065E-02 ppm1      8.930 ppm2      8.193 CV     1
 ASSI {   54}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      3.700     1.700     1.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.64423E-03 ppm1      8.930 ppm2      7.107 CV     1
 ASSI {   55}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.200     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.77394E-02 ppm1      8.931 ppm2      4.379 CV     1
 ASSI {   56}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.500     2.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.61322E-03 ppm1      8.931 ppm2      3.615 CV     1
 ASSI {   58}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     1.200     1.200 peak    58 spectrum    1 weight  0.10000E+01 volume  0.42996E-02 ppm1      8.929 ppm2      1.485 CV     1
 ASSI {   60}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.16776E-02 ppm1      8.931 ppm2      1.107 CV     1
 ASSI {   61}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG3 ))
      3.300     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.11475E-02 ppm1      8.932 ppm2      0.747 CV     1
 ASSI {   62}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.31578E-02 ppm1      9.091 ppm2      4.480 CV     1
 ASSI {   63}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.500     3.500     2.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.11024E-02 ppm1      9.090 ppm2      4.116 CV     1
 ASSI {   64}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.100     1.100 peak    64 spectrum    1 weight  0.10000E+01 volume  0.16353E-02 ppm1      9.091 ppm2      3.409 CV     1
 ASSI {   65}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.100     2.100     1.900 peak    65 spectrum    1 weight  0.10000E+01 volume  0.59912E-03 ppm1      9.090 ppm2      1.166 CV     1
 ASSI {   66}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak    66 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      9.111 ppm2      9.902 CV     1
 ASSI {   67}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.100     1.100 peak    67 spectrum    1 weight  0.10000E+01 volume  0.16917E-02 ppm1      9.117 ppm2      5.348 CV     1
 ASSI {   68}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.100     0.500     0.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.11109E-01 ppm1      9.116 ppm2      4.310 CV     1
 ASSI {   69}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.800     0.900     0.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.17904E-02 ppm1      9.115 ppm2      1.935 CV     1
 ASSI {   70}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG2 ))
      3.000     3.000     3.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      9.116 ppm2      1.766 CV     1
 ASSI {   71}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.200     1.200     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.27771E-02 ppm1      9.115 ppm2      1.701 CV     1
 ASSI {   73}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.000     1.000 peak    73 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      9.117 ppm2      1.040 CV     1
 ASSI {   74}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.17762E-02 ppm1      8.362 ppm2      5.034 CV     1
 ASSI {   75}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.100     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.93607E-02 ppm1      8.362 ppm2      4.296 CV     1
 ASSI {   76}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.700     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.94306E-03 ppm1      8.359 ppm2      1.898 CV     1
 ASSI {   78}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      2.800     1.000     1.000 peak    78 spectrum    1 weight  0.10000E+01 volume  0.29745E-02 ppm1      8.361 ppm2      0.898 CV     1
 ASSI {   80}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.25093E-02 ppm1      8.378 ppm2      4.321 CV     1
 ASSI {   83}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      8.297 ppm2      4.484 CV     1
 ASSI {   84}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.72460E-02 ppm1      8.298 ppm2      4.253 CV     1
 ASSI {   85}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.33974E-02 ppm1      8.298 ppm2      2.949 CV     1
 ASSI {   86}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      3.000     1.100     1.100 peak    86 spectrum    1 weight  0.10000E+01 volume  0.34256E-02 ppm1      8.299 ppm2      2.557 CV     1
 ASSI {   87}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.400     1.400     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15506E-02 ppm1      8.299 ppm2      2.031 CV     1
 ASSI {   88}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 83   and name HE21))
      2.900     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      8.248 ppm2      7.718 CV     1
 ASSI {   89}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 83   and name HE22))
      3.100     1.200     1.200 peak    89 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      8.243 ppm2      6.685 CV     1
 ASSI {   90}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.200     0.600     0.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.67381E-02 ppm1      8.245 ppm2      4.932 CV     1
 ASSI {   91}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak    91 spectrum    1 weight  0.10000E+01 volume  0.11644E-02 ppm1      8.246 ppm2      4.072 CV     1
 ASSI {   92}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.300     0.700     0.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.45815E-02 ppm1      8.246 ppm2      1.549 CV     1
 OR {   92}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG12))
 ASSI {   93}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG13))
      2.900     1.000     1.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.15789E-02 ppm1      8.241 ppm2      1.237 CV     1
 ASSI {   95}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.16776E-02 ppm1      8.134 ppm2      4.781 CV     1
 ASSI {   96}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     2.200     3.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.49480E-02 ppm1      8.125 ppm2      4.482 CV     1
 ASSI {   97}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.20440E-02 ppm1      8.124 ppm2      2.818 CV     1
 OR {   97}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {   98}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.34678E-02 ppm1      8.042 ppm2      4.605 CV     1
 ASSI {   99}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.36652E-02 ppm1      8.076 ppm2      8.457 CV     1
 ASSI {  100}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   100 spectrum    1 weight  0.10000E+01 volume  0.23965E-02 ppm1      8.075 ppm2      4.497 CV     1
 ASSI {  101}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      2.700     0.900     0.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.33974E-02 ppm1      8.075 ppm2      4.072 CV     1
 ASSI {  102}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.100     1.200     1.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.19031E-02 ppm1      8.074 ppm2      3.874 CV     1
 ASSI {  103}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.500     0.800     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.62027E-02 ppm1      8.075 ppm2      1.651 CV     1
 OR {  103}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  104}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD2%)
      3.800     1.800     1.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.10235E-02 ppm1      8.075 ppm2      0.904 CV     1
 OR {  104}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
 ASSI {  105}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      3.300     1.300     1.300 peak   105 spectrum    1 weight  0.10000E+01 volume  0.25938E-02 ppm1      8.117 ppm2      8.610 CV     1
 ASSI {  106}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.300     0.600     0.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.88390E-02 ppm1      8.115 ppm2      4.667 CV     1
 ASSI {  107}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.700     0.900     0.900 peak   107 spectrum    1 weight  0.10000E+01 volume  0.30027E-02 ppm1      8.115 ppm2      4.132 CV     1
 ASSI {  108}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.600     1.600     1.600 peak   108 spectrum    1 weight  0.10000E+01 volume  0.13646E-02 ppm1      8.113 ppm2      2.555 CV     1
 ASSI {  109}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.300     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.79788E-03 ppm1      8.115 ppm2      2.233 CV     1
 ASSI {  110}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.74148E-02 ppm1      8.115 ppm2      1.740 CV     1
 OR {  110}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI {  111}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.200     1.300     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      8.115 ppm2      1.466 CV     1
 ASSI {  112}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.29745E-02 ppm1      7.864 ppm2      8.378 CV     1
 ASSI {  113}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   113 spectrum    1 weight  0.10000E+01 volume  0.26080E-02 ppm1      7.863 ppm2      7.584 CV     1
 ASSI {  114}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.300     0.600     0.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.74432E-02 ppm1      7.864 ppm2      1.500 CV     1
 ASSI {  115}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.100     1.200     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      7.862 ppm2      1.298 CV     1
 ASSI {  116}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.100     1.200     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.12109E-02 ppm1      7.864 ppm2      0.809 CV     1
 ASSI {  118}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.600     1.600 peak   118 spectrum    1 weight  0.10000E+01 volume  0.58080E-03 ppm1      7.808 ppm2      4.249 CV     1
 ASSI {  119}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.800     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.25938E-02 ppm1      7.809 ppm2      3.918 CV     1
 ASSI {  120}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.000     3.000     3.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.89095E-03 ppm1      7.808 ppm2      1.322 CV     1
 ASSI {  121}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      2.300     0.700     0.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.63155E-02 ppm1      7.810 ppm2      0.154 CV     1
 ASSI {  122}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.30872E-02 ppm1      7.842 ppm2      4.431 CV     1
 ASSI {  123}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      3.500     1.500     1.500 peak   123 spectrum    1 weight  0.10000E+01 volume  0.82888E-03 ppm1      7.842 ppm2      2.306 CV     1
 ASSI {  125}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.000     1.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.19313E-02 ppm1      8.449 ppm2      4.667 CV     1
 ASSI {  126}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.200     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.80210E-02 ppm1      8.449 ppm2      4.330 CV     1
 ASSI {  127}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      3.800     1.800     1.800 peak   127 spectrum    1 weight  0.10000E+01 volume  0.14026E-02 ppm1      8.447 ppm2      1.955 CV     1
 ASSI {  128}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.800     1.800     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.98680E-03 ppm1      8.448 ppm2      0.915 CV     1
 ASSI {  129}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   129 spectrum    1 weight  0.10000E+01 volume  0.27489E-02 ppm1      7.840 ppm2      4.410 CV     1
 ASSI {  130}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.18185E-02 ppm1      7.842 ppm2      4.202 CV     1
 ASSI {  131}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.23965E-02 ppm1      7.841 ppm2      1.675 CV     1
 OR {  131}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
 ASSI {  132}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.800     2.800     3.200 peak   132 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      7.841 ppm2      1.478 CV     1
 ASSI {  133}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      7.667 ppm2      4.505 CV     1
 ASSI {  134}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.31859E-02 ppm1      7.668 ppm2      4.067 CV     1
 ASSI {  135}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.500     0.800     0.800 peak   135 spectrum    1 weight  0.10000E+01 volume  0.38626E-02 ppm1      7.667 ppm2      2.136 CV     1
 ASSI {  138}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.52159E-02 ppm1      7.817 ppm2      4.365 CV     1
 ASSI {  139}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      7.817 ppm2      3.173 CV     1
 ASSI {  140}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.600     1.700     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.91773E-03 ppm1      7.816 ppm2      2.705 CV     1
 ASSI {  141}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.800     1.000     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.29463E-02 ppm1      7.817 ppm2      2.120 CV     1
 ASSI {  142}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
      2.800     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.23683E-02 ppm1      7.817 ppm2      1.883 CV     1
 OR {  142}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
 ASSI {  143}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.14661E-02 ppm1      9.323 ppm2      9.665 CV     1
 ASSI {  144}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      3.200     1.300     1.300 peak   144 spectrum    1 weight  0.10000E+01 volume  0.17340E-02 ppm1      9.323 ppm2      7.222 CV     1
 ASSI {  145}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      3.600     1.600     1.600 peak   145 spectrum    1 weight  0.10000E+01 volume  0.11348E-02 ppm1      9.322 ppm2      6.882 CV     1
 ASSI {  146}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      3.000     1.100     1.100 peak   146 spectrum    1 weight  0.10000E+01 volume  0.12899E-02 ppm1      9.323 ppm2      5.093 CV     1
 ASSI {  147}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.83310E-03 ppm1      9.322 ppm2      4.938 CV     1
 ASSI {  148}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.60617E-02 ppm1      9.323 ppm2      4.667 CV     1
 ASSI {  149}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.800     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13970E-02 ppm1      9.322 ppm2      3.496 CV     1
 ASSI {  150}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.500     1.500     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.25374E-02 ppm1      9.323 ppm2      3.040 CV     1
 ASSI {  151}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.000     2.000     2.000 peak   151 spectrum    1 weight  0.10000E+01 volume  0.10685E-02 ppm1      9.322 ppm2      2.853 CV     1
 ASSI {  152}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.100     1.200     1.200 peak   152 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      9.323 ppm2      2.587 CV     1
 ASSI {  153}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      3.400     1.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.80916E-03 ppm1      9.324 ppm2      1.705 CV     1
 ASSI {  155}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.65976E-02 ppm1      9.647 ppm2      5.349 CV     1
 ASSI {  156}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.600     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.29886E-02 ppm1      9.647 ppm2      2.490 CV     1
 ASSI {  159}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.800     1.800     1.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      9.650 ppm2      1.253 CV     1
 ASSI {  160}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.700     1.700     1.700 peak   160 spectrum    1 weight  0.10000E+01 volume  0.10503E-02 ppm1      9.647 ppm2      1.037 CV     1
 ASSI {  161}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.83739E-02 ppm1      8.555 ppm2      4.130 CV     1
 ASSI {  162}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      3.200     3.200     2.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.21568E-02 ppm1      8.555 ppm2      3.901 CV     1
 ASSI {  163}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      4.000     2.000     2.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.11545E-02 ppm1      8.555 ppm2      2.479 CV     1
 ASSI {  164}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.44688E-02 ppm1      8.555 ppm2      2.164 CV     1
 ASSI {  165}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB3 ))
      3.500     1.500     1.500 peak   165 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      8.555 ppm2      1.739 CV     1
 OR {  165}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  166}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
      3.900     1.900     1.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      8.556 ppm2      1.461 CV     1
 ASSI {  167}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.700     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      8.626 ppm2      8.308 CV     1
 ASSI {  169}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.200     0.600     0.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.72743E-02 ppm1      8.624 ppm2      7.578 CV     1
 ASSI {  170}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.800     1.000     1.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      8.625 ppm2      4.666 CV     1
 ASSI {  171}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.20018E-02 ppm1      8.625 ppm2      4.237 CV     1
 ASSI {  172}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.600     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      8.625 ppm2      2.555 CV     1
 ASSI {  173}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.000     1.100     1.100 peak   173 spectrum    1 weight  0.10000E+01 volume  0.30731E-02 ppm1      8.625 ppm2      2.236 CV     1
 ASSI {  174}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.20864E-02 ppm1      8.624 ppm2      2.038 CV     1
 ASSI {  175}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HG1%)
      3.100     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.24388E-02 ppm1      8.625 ppm2      0.871 CV     1
 ASSI {  176}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      3.900     1.900     1.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.65833E-03 ppm1      8.622 ppm2      0.505 CV     1
 ASSI {  178}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      2.700     0.900     0.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.29040E-02 ppm1      8.884 ppm2      7.612 CV     1
 ASSI {  180}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.23683E-02 ppm1      8.884 ppm2      4.146 CV     1
 ASSI {  181}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.200     0.600     0.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.49340E-02 ppm1      8.884 ppm2      3.581 CV     1
 ASSI {  182}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.900     1.000     1.000 peak   182 spectrum    1 weight  0.10000E+01 volume  0.15506E-02 ppm1      8.884 ppm2      2.283 CV     1
 ASSI {  183}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.300     1.400     1.400 peak   183 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      8.884 ppm2      2.043 CV     1
 ASSI {  184}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      4.200     2.200     1.800 peak   184 spectrum    1 weight  0.10000E+01 volume  0.84016E-03 ppm1      8.884 ppm2      1.878 CV     1
 ASSI {  186}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.500     2.500     1.500 peak   186 spectrum    1 weight  0.10000E+01 volume  0.46238E-03 ppm1      8.888 ppm2      0.798 CV     1
 ASSI {  187}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.33128E-02 ppm1      8.952 ppm2      7.830 CV     1
 ASSI {  188}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HD% )
      2.500     0.800     0.800 peak   188 spectrum    1 weight  0.10000E+01 volume  0.37780E-02 ppm1      8.952 ppm2      7.113 CV     1
 ASSI {  190}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.26361E-02 ppm1      8.952 ppm2      3.181 CV     1
 ASSI {  191}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      3.500     1.500     1.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.32705E-02 ppm1      8.952 ppm2      2.702 CV     1
 ASSI {  192}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
      3.400     1.400     1.400 peak   192 spectrum    1 weight  0.10000E+01 volume  0.12687E-02 ppm1      8.949 ppm2      1.451 CV     1
 OR {  192}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HD3 ))
 ASSI {  193}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 28   and name HD% )
      4.100     2.100     1.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10404E-02 ppm1      8.807 ppm2      7.224 CV     1
 ASSI {  194}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.200     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.69920E-02 ppm1      8.807 ppm2      5.090 CV     1
 ASSI {  195}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   195 spectrum    1 weight  0.10000E+01 volume  0.15506E-02 ppm1      8.807 ppm2      4.579 CV     1
 ASSI {  196}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      3.800     1.800     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.16212E-02 ppm1      8.807 ppm2      3.500 CV     1
 ASSI {  197}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      3.000     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      8.809 ppm2      3.044 CV     1
 ASSI {  198}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.400     0.700     0.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.53005E-02 ppm1      8.701 ppm2      4.578 CV     1
 ASSI {  201}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      3.100     1.200     1.200 peak   201 spectrum    1 weight  0.10000E+01 volume  0.35948E-02 ppm1      8.701 ppm2      1.659 CV     1
 ASSI {  204}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.79504E-02 ppm1      8.647 ppm2      4.067 CV     1
 ASSI {  205}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.700     1.700     1.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.90784E-03 ppm1      8.646 ppm2      2.011 CV     1
 ASSI {  206}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.500     1.500     1.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.92479E-03 ppm1      8.647 ppm2      1.191 CV     1
 ASSI {  207}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
      4.000     2.000     2.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.13110E-02 ppm1      8.650 ppm2      0.982 CV     1
 ASSI {  208}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak   208 spectrum    1 weight  0.10000E+01 volume  0.41304E-02 ppm1      8.567 ppm2      4.535 CV     1
 ASSI {  209}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   209 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      8.568 ppm2      3.961 CV     1
 ASSI {  211}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.11151E-02 ppm1      8.926 ppm2      8.196 CV     1
 ASSI {  212}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.59912E-02 ppm1      8.927 ppm2      4.615 CV     1
 OR {  212}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  215}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.900     1.000     1.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.21287E-02 ppm1      8.927 ppm2      1.931 CV     1
 ASSI {  217}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.29745E-02 ppm1      8.351 ppm2      8.072 CV     1
 ASSI {  218}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.500     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.45393E-02 ppm1      8.353 ppm2      4.509 CV     1
 ASSI {  219}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.900     1.000     1.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.22274E-02 ppm1      8.352 ppm2      4.252 CV     1
 ASSI {  220}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      3.400     1.400     1.400 peak   220 spectrum    1 weight  0.10000E+01 volume  0.12180E-02 ppm1      8.352 ppm2      2.254 CV     1
 OR {  220}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  221}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.300     2.300     3.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.45815E-02 ppm1      8.352 ppm2      2.009 CV     1
 ASSI {  222}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.900     1.100     1.100 peak   222 spectrum    1 weight  0.10000E+01 volume  0.34538E-02 ppm1      8.353 ppm2      1.668 CV     1
 OR {  222}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI {  223}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
      2.900     2.900     3.100 peak   223 spectrum    1 weight  0.10000E+01 volume  0.95157E-03 ppm1      8.353 ppm2      0.908 CV     1
 OR {  223}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HD2%)
 ASSI {  224}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.600     0.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.62732E-02 ppm1      8.543 ppm2      5.032 CV     1
 ASSI {  225}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.900     1.000     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.18467E-02 ppm1      8.542 ppm2      4.499 CV     1
 ASSI {  226}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 71   and name HA1 ))
      3.400     1.400     1.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.10756E-02 ppm1      8.542 ppm2      4.317 CV     1
 ASSI {  228}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.500     1.600     1.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.20864E-02 ppm1      8.543 ppm2      1.637 CV     1
 ASSI {  229}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
      3.900     1.900     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      8.542 ppm2      1.423 CV     1
 ASSI {  230}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
      2.500     2.500     3.500 peak   230 spectrum    1 weight  0.10000E+01 volume  0.28053E-02 ppm1      8.543 ppm2      1.228 CV     1
 ASSI {  231}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
      3.400     1.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.25093E-02 ppm1      8.542 ppm2      0.910 CV     1
 ASSI {  232}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 27   and name HD% )
      3.000     1.100     1.100 peak   232 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      8.388 ppm2      6.895 CV     1
 ASSI {  233}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   233 spectrum    1 weight  0.10000E+01 volume  0.47648E-02 ppm1      8.389 ppm2      4.728 CV     1
 ASSI {  234}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     1.300     1.300 peak   234 spectrum    1 weight  0.10000E+01 volume  0.36229E-02 ppm1      8.388 ppm2      2.876 CV     1
 ASSI {  235}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
      2.800     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.24811E-02 ppm1      8.390 ppm2      2.625 CV     1
 ASSI {  238}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     1.300     1.300 peak   238 spectrum    1 weight  0.10000E+01 volume  0.92479E-03 ppm1      8.604 ppm2      4.149 CV     1
 ASSI {  241}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.75698E-02 ppm1      9.084 ppm2      4.299 CV     1
 ASSI {  243}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.57657E-03 ppm1      9.084 ppm2      2.987 CV     1
 ASSI {  244}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB3 ))
      3.800     1.800     1.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.69782E-03 ppm1      9.085 ppm2      2.808 CV     1
 ASSI {  245}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.500     1.500 peak   245 spectrum    1 weight  0.10000E+01 volume  0.96424E-03 ppm1      9.084 ppm2      2.083 CV     1
 ASSI {  248}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      3.000     1.100     1.100 peak   248 spectrum    1 weight  0.10000E+01 volume  0.16634E-02 ppm1      9.885 ppm2      5.360 CV     1
 ASSI {  249}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.93607E-02 ppm1      9.886 ppm2      4.627 CV     1
 ASSI {  250}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.37780E-02 ppm1      9.887 ppm2      3.617 CV     1
 ASSI {  251}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      4.200     2.200     1.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.92618E-03 ppm1      9.888 ppm2      3.140 CV     1
 ASSI {  252}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.19172E-02 ppm1      9.885 ppm2      1.048 CV     1
 ASSI {  253}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   253 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      7.757 ppm2      8.708 CV     1
 ASSI {  254}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA1 ))
      3.000     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.12603E-02 ppm1      7.756 ppm2      4.304 CV     1
 ASSI {  258}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.21851E-02 ppm1      7.525 ppm2      8.838 CV     1
 ASSI {  259}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.45533E-02 ppm1      7.524 ppm2      6.611 CV     1
 ASSI {  260}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak   260 spectrum    1 weight  0.10000E+01 volume  0.18890E-02 ppm1      7.524 ppm2      4.049 CV     1
 ASSI {  261}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.41445E-02 ppm1      7.524 ppm2      3.494 CV     1
 ASSI {  263}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.300     0.600     0.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.59631E-02 ppm1      7.524 ppm2      1.381 CV     1
 ASSI {  264}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   264 spectrum    1 weight  0.10000E+01 volume  0.20582E-02 ppm1      7.552 ppm2      9.099 CV     1
 ASSI {  266}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.300     0.600     0.600 peak   266 spectrum    1 weight  0.10000E+01 volume  0.52441E-02 ppm1      7.566 ppm2      8.342 CV     1
 ASSI {  267}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.500     0.800     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.43278E-02 ppm1      7.567 ppm2      4.232 CV     1
 ASSI {  268}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      2.900     1.000     1.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.18326E-02 ppm1      7.567 ppm2      2.044 CV     1
 ASSI {  270}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HG1%)
      3.100     1.200     1.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.38908E-02 ppm1      7.566 ppm2      0.869 CV     1
 ASSI {  271}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.000     1.100     1.100 peak   271 spectrum    1 weight  0.10000E+01 volume  0.17480E-02 ppm1      7.886 ppm2      7.173 CV     1
 ASSI {  272}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.25657E-02 ppm1      7.885 ppm2      4.608 CV     1
 ASSI {  273}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak   273 spectrum    1 weight  0.10000E+01 volume  0.13280E-02 ppm1      7.882 ppm2      4.396 CV     1
 ASSI {  274}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   274 spectrum    1 weight  0.10000E+01 volume  0.23260E-02 ppm1      7.886 ppm2      4.208 CV     1
 ASSI {  275}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.800     1.000     1.000 peak   275 spectrum    1 weight  0.10000E+01 volume  0.19454E-02 ppm1      7.885 ppm2      3.163 CV     1
 ASSI {  276}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      3.300     1.400     1.400 peak   276 spectrum    1 weight  0.10000E+01 volume  0.31859E-02 ppm1      7.884 ppm2      2.812 CV     1
 ASSI {  278}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.100     1.100 peak   278 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      7.927 ppm2      4.476 CV     1
 ASSI {  279}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.900     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.29322E-02 ppm1      7.926 ppm2      4.102 CV     1
 ASSI {  280}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.58926E-02 ppm1      7.927 ppm2      3.932 CV     1
 ASSI {  281}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.600     1.600     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.10023E-02 ppm1      7.932 ppm2      3.407 CV     1
 ASSI {  282}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.400     1.500     1.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.85144E-03 ppm1      7.927 ppm2      1.169 CV     1
 ASSI {  283}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.400     1.500     1.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.15789E-02 ppm1      7.928 ppm2      0.647 CV     1
 ASSI {  284}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.36793E-02 ppm1      8.063 ppm2      8.869 CV     1
 ASSI {  285}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   285 spectrum    1 weight  0.10000E+01 volume  0.13674E-02 ppm1      8.062 ppm2      4.191 CV     1
 ASSI {  286}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.300     0.700     0.700 peak   286 spectrum    1 weight  0.10000E+01 volume  0.36793E-02 ppm1      8.062 ppm2      2.278 CV     1
 ASSI {  287}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.000     1.100     1.100 peak   287 spectrum    1 weight  0.10000E+01 volume  0.55119E-02 ppm1      8.063 ppm2      2.042 CV     1
 ASSI {  289}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.800     1.800     1.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.19595E-02 ppm1      8.065 ppm2      0.889 CV     1
 ASSI {  290}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.45533E-02 ppm1      8.026 ppm2      4.438 CV     1
 ASSI {  291}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   291 spectrum    1 weight  0.10000E+01 volume  0.13900E-02 ppm1      8.025 ppm2      3.937 CV     1
 ASSI {  292}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.000     1.200     1.200 peak   292 spectrum    1 weight  0.10000E+01 volume  0.19031E-02 ppm1      8.026 ppm2      3.401 CV     1
 ASSI {  293}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.700     1.700     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.86134E-03 ppm1      8.024 ppm2      0.650 CV     1
 ASSI {  295}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.33974E-02 ppm1      8.191 ppm2      7.800 CV     1
 ASSI {  296}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.900     1.000     1.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.16070E-02 ppm1      8.189 ppm2      4.600 CV     1
 ASSI {  298}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.200     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      8.190 ppm2      2.328 CV     1
 OR {  298}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI {  299}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.900     1.000     1.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.15648E-02 ppm1      7.350 ppm2      8.439 CV     1
 ASSI {  300}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.46802E-02 ppm1      7.351 ppm2      4.294 CV     1
 ASSI {  301}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.200     0.600     0.600 peak   301 spectrum    1 weight  0.10000E+01 volume  0.61040E-02 ppm1      7.352 ppm2      1.811 CV     1
 ASSI {  302}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.000     1.100     1.100 peak   302 spectrum    1 weight  0.10000E+01 volume  0.35242E-02 ppm1      7.351 ppm2      1.672 CV     1
 ASSI {  303}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
      3.300     1.400     1.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.39895E-02 ppm1      7.352 ppm2      0.967 CV     1
 ASSI {  304}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.59912E-02 ppm1      7.478 ppm2      8.657 CV     1
 ASSI {  305}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.24106E-02 ppm1      7.479 ppm2      4.218 CV     1
 ASSI {  306}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      4.000     2.000     2.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.96285E-03 ppm1      7.479 ppm2      4.061 CV     1
 ASSI {  308}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.100     1.200     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.13716E-02 ppm1      7.479 ppm2      1.192 CV     1
 ASSI {  309}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      3.400     1.500     1.500 peak   309 spectrum    1 weight  0.10000E+01 volume  0.77249E-03 ppm1      7.481 ppm2      1.001 CV     1
 ASSI {  310}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HD22))
      1.800     0.400     0.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.15648E-01 ppm1      7.626 ppm2      6.957 CV     1
 ASSI {  311}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     1.400     1.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.10023E-02 ppm1      7.622 ppm2      2.987 CV     1
 ASSI {  314}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 83   and name HG2 ))
      3.400     1.400     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.95157E-03 ppm1      7.708 ppm2      2.478 CV     1
 ASSI {  316}
   (( segid "    " and resid 24   and name HD21))
   (( segid "    " and resid 24   and name HB3 ))
      3.000     1.100     1.100 peak   316 spectrum    1 weight  0.10000E+01 volume  0.16776E-02 ppm1      7.529 ppm2      2.821 CV     1
 OR {  316}
   (( segid "    " and resid 24   and name HD21))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  317}
   (( segid "    " and resid 55   and name HE21))
   (( segid "    " and resid 55   and name HG3 ))
      3.100     1.200     1.200 peak   317 spectrum    1 weight  0.10000E+01 volume  0.12194E-02 ppm1      7.541 ppm2      2.440 CV     1
 OR {  317}
   (( segid "    " and resid 55   and name HE21))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  318}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HE22))
      1.800     0.400     0.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.17621E-01 ppm1      7.430 ppm2      6.834 CV     1
 ASSI {  320}
   (( segid "    " and resid 39   and name HE21))
   (  segid "    " and resid 36   and name HD1%)
      3.300     1.400     1.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.75844E-03 ppm1      7.431 ppm2      0.992 CV     1
 ASSI {  321}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.600     0.900     0.900 peak   321 spectrum    1 weight  0.10000E+01 volume  0.32564E-02 ppm1      7.701 ppm2      8.145 CV     1
 ASSI {  323}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.200     0.600     0.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.85006E-02 ppm1      7.701 ppm2      3.917 CV     1
 ASSI {  327}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.93607E-03 ppm1      7.949 ppm2      3.965 CV     1
 ASSI {  328}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.73588E-02 ppm1      7.946 ppm2      3.111 CV     1
 ASSI {  329}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.15225E-02 ppm1      7.945 ppm2      1.873 CV     1
 ASSI {  330}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.300     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.15648E-02 ppm1      7.946 ppm2      1.229 CV     1
 OR {  330}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  331}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      3.100     1.200     1.200 peak   331 spectrum    1 weight  0.10000E+01 volume  0.18326E-02 ppm1      7.947 ppm2      0.964 CV     1
 ASSI {  333}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      7.986 ppm2      7.817 CV     1
 ASSI {  334}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.48212E-02 ppm1      7.988 ppm2      4.944 CV     1
 ASSI {  335}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak   335 spectrum    1 weight  0.10000E+01 volume  0.96002E-03 ppm1      7.989 ppm2      4.659 CV     1
 ASSI {  336}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      7.987 ppm2      4.393 CV     1
 ASSI {  338}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.500     0.800     0.800 peak   338 spectrum    1 weight  0.10000E+01 volume  0.32141E-02 ppm1      7.988 ppm2      3.326 CV     1
 ASSI {  339}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.700     1.700     1.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.11855E-02 ppm1      7.988 ppm2      2.856 CV     1
 ASSI {  340}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.600     0.900     0.900 peak   340 spectrum    1 weight  0.10000E+01 volume  0.24247E-02 ppm1      7.988 ppm2      2.546 CV     1
 ASSI {  342}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.50044E-02 ppm1      7.759 ppm2      4.827 CV     1
 ASSI {  343}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.900     0.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.24811E-02 ppm1      7.760 ppm2      4.621 CV     1
 ASSI {  344}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.200     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.45674E-02 ppm1      7.758 ppm2      1.925 CV     1
 ASSI {  345}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     0.900     0.900 peak   345 spectrum    1 weight  0.10000E+01 volume  0.17340E-02 ppm1      7.759 ppm2      1.360 CV     1
 ASSI {  346}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.200     1.200     1.200 peak   346 spectrum    1 weight  0.10000E+01 volume  0.24388E-02 ppm1      7.758 ppm2      1.183 CV     1
 ASSI {  349}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA1 ))
      2.800     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.20864E-02 ppm1      8.985 ppm2      4.174 CV     1
 ASSI {  350}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.56529E-02 ppm1      8.985 ppm2      3.932 CV     1
 ASSI {  351}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA2 ))
      3.000     1.100     1.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.28335E-02 ppm1      8.985 ppm2      3.779 CV     1
 ASSI {  353}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.20159E-02 ppm1      8.823 ppm2      8.079 CV     1
 ASSI {  355}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.200     1.300     1.300 peak   355 spectrum    1 weight  0.10000E+01 volume  0.13012E-02 ppm1      8.823 ppm2      4.176 CV     1
 ASSI {  356}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.900     0.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.30450E-02 ppm1      8.823 ppm2      4.005 CV     1
 ASSI {  357}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.60335E-03 ppm1      8.824 ppm2      3.498 CV     1
 ASSI {  358}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.400     1.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.26925E-02 ppm1      8.823 ppm2      2.592 CV     1
 ASSI {  359}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.300     0.700     0.700 peak   359 spectrum    1 weight  0.10000E+01 volume  0.48071E-02 ppm1      8.823 ppm2      2.313 CV     1
 ASSI {  360}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.900     1.100     1.100 peak   360 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      8.822 ppm2      2.134 CV     1
 ASSI {  361}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.200     1.300     1.300 peak   361 spectrum    1 weight  0.10000E+01 volume  0.29604E-02 ppm1      8.824 ppm2      1.840 CV     1
 ASSI {  362}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.600     0.900     0.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.25657E-02 ppm1      8.824 ppm2      1.378 CV     1
 ASSI {  364}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      8.629 ppm2      6.610 CV     1
 ASSI {  365}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.500     3.500     2.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.19595E-02 ppm1      8.629 ppm2      4.178 CV     1
 ASSI {  366}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.600     1.600     1.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.62168E-03 ppm1      8.629 ppm2      4.040 CV     1
 ASSI {  367}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      4.500     2.500     1.500 peak   367 spectrum    1 weight  0.10000E+01 volume  0.88950E-03 ppm1      8.630 ppm2      2.229 CV     1
 ASSI {  368}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.600     0.800     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.35242E-02 ppm1      8.629 ppm2      1.908 CV     1
 ASSI {  369}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.100     1.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.23542E-02 ppm1      8.630 ppm2      1.748 CV     1
 OR {  369}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
 ASSI {  370}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG12))
      3.200     1.200     1.200 peak   370 spectrum    1 weight  0.10000E+01 volume  0.68370E-03 ppm1      8.631 ppm2      1.487 CV     1
 ASSI {  371}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG13))
      3.700     1.700     1.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      8.630 ppm2      1.322 CV     1
 ASSI {  372}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      2.900     1.000     1.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.37639E-02 ppm1      8.629 ppm2      0.977 CV     1
 OR {  372}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  375}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   375 spectrum    1 weight  0.10000E+01 volume  0.98963E-03 ppm1      8.359 ppm2      4.336 CV     1
 ASSI {  376}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.400     0.700     0.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.49622E-02 ppm1      8.361 ppm2      4.219 CV     1
 ASSI {  377}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.25093E-02 ppm1      8.361 ppm2      4.063 CV     1
 ASSI {  378}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      3.400     3.400     2.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.14238E-02 ppm1      8.359 ppm2      3.940 CV     1
 ASSI {  379}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.28194E-02 ppm1      8.361 ppm2      1.993 CV     1
 ASSI {  380}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      4.800     2.800     1.200 peak   380 spectrum    1 weight  0.10000E+01 volume  0.36793E-03 ppm1      8.357 ppm2      1.846 CV     1
 ASSI {  386}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.200     1.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.14041E-02 ppm1      8.327 ppm2      4.791 CV     1
 ASSI {  387}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.44829E-02 ppm1      8.326 ppm2      4.226 CV     1
 OR {  387}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB  ))
 ASSI {  389}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
      3.600     1.600     1.600 peak   389 spectrum    1 weight  0.10000E+01 volume  0.72743E-03 ppm1      8.328 ppm2      1.738 CV     1
 ASSI {  390}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.32282E-02 ppm1      8.325 ppm2      1.294 CV     1
 ASSI {  391}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HG1%)
      4.600     2.700     1.400 peak   391 spectrum    1 weight  0.10000E+01 volume  0.79650E-03 ppm1      8.326 ppm2      0.880 CV     1
 ASSI {  392}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak   392 spectrum    1 weight  0.10000E+01 volume  0.21004E-02 ppm1      8.471 ppm2      4.318 CV     1
 ASSI {  394}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA2 ))
      3.200     1.300     1.300 peak   394 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      8.469 ppm2      3.871 CV     1
 ASSI {  395}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA1 ))
      3.100     1.200     1.200 peak   395 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      8.694 ppm2      4.313 CV     1
 ASSI {  396}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.35525E-02 ppm1      8.694 ppm2      3.958 CV     1
 ASSI {  397}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.100     1.100 peak   397 spectrum    1 weight  0.10000E+01 volume  0.15648E-02 ppm1      8.280 ppm2      5.040 CV     1
 ASSI {  398}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
      3.800     1.800     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.10658E-02 ppm1      8.280 ppm2      3.949 CV     1
 ASSI {  399}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HD3 ))
      3.600     1.600     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      8.279 ppm2      3.720 CV     1
 ASSI {  400}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.22132E-02 ppm1      8.279 ppm2      2.912 CV     1
 ASSI {  402}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      3.100     1.200     1.200 peak   402 spectrum    1 weight  0.10000E+01 volume  0.44124E-02 ppm1      8.279 ppm2      2.238 CV     1
 OR {  402}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG3 ))
 ASSI {  403}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HB  ))
      3.000     1.100     1.100 peak   403 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      8.279 ppm2      2.101 CV     1
 ASSI {  404}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.100     1.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.24106E-02 ppm1      8.278 ppm2      0.498 CV     1
 ASSI {  405}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.21146E-02 ppm1      8.515 ppm2      9.000 CV     1
 ASSI {  406}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.700     0.900     0.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.35948E-02 ppm1      8.515 ppm2      6.987 CV     1
 ASSI {  407}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      2.200     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.67381E-02 ppm1      8.514 ppm2      4.086 CV     1
 ASSI {  408}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      2.800     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.44406E-02 ppm1      8.515 ppm2      3.923 CV     1
 ASSI {  409}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA2 ))
      3.200     1.300     1.300 peak   409 spectrum    1 weight  0.10000E+01 volume  0.11799E-02 ppm1      8.516 ppm2      3.781 CV     1
 ASSI {  412}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.000     1.100     1.100 peak   412 spectrum    1 weight  0.10000E+01 volume  0.18749E-02 ppm1      7.575 ppm2      4.155 CV     1
 ASSI {  413}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      2.200     0.600     0.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.50890E-02 ppm1      7.573 ppm2      1.934 CV     1
 ASSI {  414}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.26080E-02 ppm1      7.572 ppm2      1.509 CV     1
 ASSI {  415}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG13))
      2.600     0.800     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.20300E-02 ppm1      7.573 ppm2      1.219 CV     1
 ASSI {  416}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      3.000     1.100     1.100 peak   416 spectrum    1 weight  0.10000E+01 volume  0.33551E-02 ppm1      7.573 ppm2      0.789 CV     1
 ASSI {  419}
   (( segid "    " and resid 39   and name HE22))
   (  segid "    " and resid 36   and name HD1%)
      3.100     1.200     1.200 peak   419 spectrum    1 weight  0.10000E+01 volume  0.63437E-03 ppm1      6.824 ppm2      0.984 CV     1
 OR {  419}
   (( segid "    " and resid 39   and name HE22))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  423}
   (( segid "    " and resid 24   and name HD22))
   (( segid "    " and resid 24   and name HB3 ))
      3.300     1.400     1.400 peak   423 spectrum    1 weight  0.10000E+01 volume  0.29604E-02 ppm1      6.918 ppm2      2.824 CV     1
 OR {  423}
   (( segid "    " and resid 24   and name HD22))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  424}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HD2 ))
      2.800     1.000     1.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.23260E-02 ppm1      6.362 ppm2      7.959 CV     1
 ASSI {  425}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.800     0.800 peak   425 spectrum    1 weight  0.10000E+01 volume  0.29040E-02 ppm1      6.363 ppm2      7.820 CV     1
 ASSI {  426}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      3.000     1.100     1.100 peak   426 spectrum    1 weight  0.10000E+01 volume  0.13533E-02 ppm1      6.361 ppm2      7.303 CV     1
 ASSI {  427}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.24952E-02 ppm1      6.362 ppm2      7.063 CV     1
 ASSI {  428}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.26361E-02 ppm1      6.364 ppm2      3.949 CV     1
 ASSI {  429}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.17904E-02 ppm1      6.362 ppm2      3.119 CV     1
 ASSI {  430}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.500     1.500     1.500 peak   430 spectrum    1 weight  0.10000E+01 volume  0.23542E-02 ppm1      6.362 ppm2      1.870 CV     1
 ASSI {  431}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      3.300     1.300     1.300 peak   431 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      6.362 ppm2      0.142 CV     1
 ASSI {  436}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.20440E-02 ppm1      7.050 ppm2      5.030 CV     1
 ASSI {  437}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     2.900     3.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.27912E-02 ppm1      7.051 ppm2      3.934 CV     1
 ASSI {  438}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.800     1.000     1.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      7.051 ppm2      2.952 CV     1
 ASSI {  439}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.500     1.500     1.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.23119E-02 ppm1      7.051 ppm2      2.413 CV     1
 ASSI {  442}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   442 spectrum    1 weight  0.10000E+01 volume  0.30731E-02 ppm1      6.981 ppm2      4.608 CV     1
 ASSI {  443}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA1 ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.17057E-02 ppm1      6.981 ppm2      4.074 CV     1
 ASSI {  444}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.700     1.700     1.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      6.980 ppm2      3.910 CV     1
 ASSI {  445}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA2 ))
      3.600     1.600     1.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.75560E-03 ppm1      6.980 ppm2      3.776 CV     1
 ASSI {  446}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.600     1.600     1.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.78944E-03 ppm1      6.979 ppm2      2.957 CV     1
 ASSI {  447}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      3.000     1.200     1.200 peak   447 spectrum    1 weight  0.10000E+01 volume  0.13167E-02 ppm1      6.981 ppm2      2.403 CV     1
 ASSI {  448}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.200     1.300     1.300 peak   448 spectrum    1 weight  0.10000E+01 volume  0.18185E-02 ppm1      6.981 ppm2      1.774 CV     1
 ASSI {  450}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.50327E-02 ppm1      6.917 ppm2      4.061 CV     1
 ASSI {  451}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.800     1.800     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.58362E-03 ppm1      6.921 ppm2      2.440 CV     1
 ASSI {  452}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.600     1.600     1.600 peak   452 spectrum    1 weight  0.10000E+01 volume  0.97974E-03 ppm1      6.923 ppm2      2.138 CV     1
 ASSI {  453}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      2.900     1.000     1.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.52159E-02 ppm1      6.918 ppm2      0.969 CV     1
 ASSI {  456}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.25798E-02 ppm1      6.602 ppm2      4.188 CV     1
 ASSI {  457}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      4.000     2.000     2.000 peak   457 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      6.599 ppm2      2.223 CV     1
 ASSI {  458}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      4.300     2.300     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.35384E-03 ppm1      6.598 ppm2      2.106 CV     1
 ASSI {  461}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.000     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.36511E-02 ppm1      6.601 ppm2      0.983 CV     1
 OR {  461}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  462}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HE21))
      2.800     1.000     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.12561E-02 ppm1      6.950 ppm2      7.713 CV     1
 ASSI {  463}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   463 spectrum    1 weight  0.10000E+01 volume  0.16070E-02 ppm1      6.951 ppm2      4.289 CV     1
 ASSI {  464}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      3.300     3.300     2.700 peak   464 spectrum    1 weight  0.10000E+01 volume  0.69920E-02 ppm1      6.948 ppm2      3.897 CV     1
 ASSI {  465}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.600     1.600     1.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.17904E-02 ppm1      6.949 ppm2      2.164 CV     1
 ASSI {  466}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      2.300     0.700     0.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.36229E-02 ppm1      6.949 ppm2      1.610 CV     1
 ASSI {  468}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 28   and name HE% )
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      7.220 ppm2      6.499 CV     1
 ASSI {  469}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.000     0.500     0.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.14238E-01 ppm1      7.220 ppm2      4.609 CV     1
 ASSI {  470}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.100     1.100 peak   470 spectrum    1 weight  0.10000E+01 volume  0.16917E-02 ppm1      7.220 ppm2      3.862 CV     1
 ASSI {  471}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB3 ))
      3.900     1.900     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.90223E-03 ppm1      7.217 ppm2      1.778 CV     1
 ASSI {  472}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG3 ))
      4.100     2.100     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.97974E-03 ppm1      7.220 ppm2      0.675 CV     1
 ASSI {  473}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.600     0.800     0.800 peak   473 spectrum    1 weight  0.10000E+01 volume  0.53287E-02 ppm1      7.220 ppm2      0.118 CV     1
 ASSI {  474}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.21568E-02 ppm1      8.078 ppm2      4.725 CV     1
 ASSI {  475}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.59208E-02 ppm1      8.085 ppm2      3.805 CV     1
 ASSI {  476}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.000     2.000     4.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.12264E-01 ppm1      8.089 ppm2      3.328 CV     1
 ASSI {  478}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
      3.400     1.400     1.400 peak   478 spectrum    1 weight  0.10000E+01 volume  0.20159E-02 ppm1      8.085 ppm2      2.639 CV     1
 ASSI {  479}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.200     1.300     1.300 peak   479 spectrum    1 weight  0.10000E+01 volume  0.36511E-02 ppm1      8.088 ppm2      1.314 CV     1
 ASSI {  480}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      3.100     1.200     1.200 peak   480 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      7.839 ppm2      4.124 CV     1
 ASSI {  481}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      3.300     1.400     1.400 peak   481 spectrum    1 weight  0.10000E+01 volume  0.79227E-03 ppm1      8.362 ppm2      1.504 CV     1
 ASSI {  482}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
      1.700     0.400     0.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.36934E-01 ppm1      8.382 ppm2      0.907 CV     1
 ASSI {  484}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.500     1.600     1.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.26785E-02 ppm1      8.886 ppm2      3.128 CV     1
 ASSI {  485}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      3.100     1.200     1.200 peak   485 spectrum    1 weight  0.10000E+01 volume  0.25374E-02 ppm1      8.242 ppm2      0.854 CV     1
 ASSI {  486}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB3 ))
      2.500     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.53428E-02 ppm1      8.567 ppm2      1.958 CV     1
 OR {  486}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
 ASSI {  487}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG3 ))
      3.600     1.700     1.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.80632E-03 ppm1      8.567 ppm2      2.279 CV     1
 OR {  487}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI {  488}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.700     3.700     2.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      8.927 ppm2      1.180 CV     1
 ASSI {  489}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.21991E-02 ppm1      8.928 ppm2      4.127 CV     1
 ASSI {  490}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      2.700     2.700     3.300 peak   490 spectrum    1 weight  0.10000E+01 volume  0.37921E-02 ppm1      7.762 ppm2      1.332 CV     1
 ASSI {  491}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      7.757 ppm2      3.954 CV     1
 ASSI {  492}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.300     1.400     1.400 peak   492 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      7.764 ppm2      4.480 CV     1
 ASSI {  493}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     1.100     1.100 peak   493 spectrum    1 weight  0.10000E+01 volume  0.20864E-02 ppm1      7.764 ppm2      4.782 CV     1
 ASSI {  494}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.20582E-02 ppm1      7.757 ppm2      4.925 CV     1
 ASSI {  495}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     0.800     0.800 peak   495 spectrum    1 weight  0.10000E+01 volume  0.38767E-02 ppm1      7.764 ppm2      8.131 CV     1
 ASSI {  496}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   496 spectrum    1 weight  0.10000E+01 volume  0.20440E-02 ppm1      7.757 ppm2      9.303 CV     1
 ASSI {  497}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.500     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.53850E-02 ppm1      7.550 ppm2      3.157 CV     1
 ASSI {  498}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.53710E-02 ppm1      7.550 ppm2      3.607 CV     1
 ASSI {  500}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.000     1.100     1.100 peak   500 spectrum    1 weight  0.10000E+01 volume  0.20723E-02 ppm1      7.883 ppm2      1.684 CV     1
 OR {  500}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  505}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      3.900     1.900     1.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.18749E-02 ppm1      8.602 ppm2      0.774 CV     1
 ASSI {  507}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.500     1.600     1.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.14379E-02 ppm1      8.602 ppm2      1.485 CV     1
 ASSI {  509}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.52018E-02 ppm1      8.601 ppm2      1.991 CV     1
 ASSI {  510}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.000     1.100     1.100 peak   510 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      8.602 ppm2      3.111 CV     1
 ASSI {  511}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.800     1.000     1.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.23119E-02 ppm1      8.601 ppm2      3.566 CV     1
 ASSI {  512}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.44406E-02 ppm1      8.602 ppm2      3.921 CV     1
 ASSI {  513}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.600     0.800     0.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.41304E-02 ppm1      8.061 ppm2      4.360 CV     1
 ASSI {  514}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      8.061 ppm2      3.996 CV     1
 ASSI {  516}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
      4.100     2.100     1.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.12589E-02 ppm1      7.565 ppm2      2.240 CV     1
 OR {  516}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HG3 ))
 ASSI {  517}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.400     1.400 peak   517 spectrum    1 weight  0.10000E+01 volume  0.19313E-02 ppm1      8.134 ppm2      0.858 CV     1
 ASSI {  518}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HG13))
      2.700     0.900     0.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.14802E-02 ppm1      8.134 ppm2      1.210 CV     1
 ASSI {  520}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      3.500     1.500     1.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.31859E-02 ppm1      8.131 ppm2      1.941 CV     1
 ASSI {  521}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
      2.800     1.000     1.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.21851E-02 ppm1      8.134 ppm2      3.925 CV     1
 ASSI {  525}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB3 ))
      3.600     1.600     1.600 peak   525 spectrum    1 weight  0.10000E+01 volume  0.13815E-02 ppm1      8.027 ppm2      1.844 CV     1
 ASSI {  526}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.900     1.000     1.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20723E-02 ppm1      6.981 ppm2      1.871 CV     1
 ASSI {  529}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.000     1.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.21568E-02 ppm1      9.287 ppm2      4.532 CV     1
 ASSI {  530}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      4.200     2.200     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.96424E-03 ppm1      9.291 ppm2      0.120 CV     1
 ASSI {  531}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.600     0.800     0.800 peak   531 spectrum    1 weight  0.10000E+01 volume  0.27208E-02 ppm1      8.379 ppm2      1.975 CV     1
 ASSI {  532}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      3.400     1.500     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      7.667 ppm2      4.579 CV     1
 ASSI {  533}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.800     1.000     1.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.28053E-02 ppm1      7.817 ppm2      2.013 CV     1
 ASSI {  537}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.900     1.900     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.10164E-02 ppm1      7.220 ppm2      0.724 CV     1
 ASSI {  538}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.200     1.300     1.300 peak   538 spectrum    1 weight  0.10000E+01 volume  0.12786E-02 ppm1      9.090 ppm2      3.117 CV     1
 ASSI {  541}
   (( segid "    " and resid 62   and name HD1 ))
   (  segid "    " and resid 14   and name HD% )
      3.200     1.300     1.300 peak   541 spectrum    1 weight  0.10000E+01 volume  0.14661E-02 ppm1     10.205 ppm2      7.095 CV     1
 ASSI {  542}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.300     1.400     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.59771E-03 ppm1      7.988 ppm2      1.287 CV     1
 ASSI {  543}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 65   and name HA1 ))
      2.900     2.900     3.100 peak   543 spectrum    1 weight  0.10000E+01 volume  0.10813E-02 ppm1      6.981 ppm2      4.160 CV     1
 ASSI {  544}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.500     2.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.44829E-03 ppm1      7.217 ppm2      1.868 CV     1
 ASSI {    1}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
      2.600     0.800     0.800 peak     1 spectrum    1 weight  0.10000E+01 volume  0.25140E-02 ppm1      9.657 ppm2      1.884 CV     1
 ASSI {   16}
   (( segid "    " and resid 41   and name HE1 ))
   (  segid "    " and resid 73   and name HG2%)
      4.700     2.800     1.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.56915E-03 ppm1     10.359 ppm2      0.794 CV     1
 ASSI {   22}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HD2 ))
      4.000     2.000     2.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.63307E-03 ppm1      9.654 ppm2      3.298 CV     1
 ASSI {   25}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      4.100     2.200     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.55393E-03 ppm1      9.895 ppm2      3.117 CV     1
 ASSI {   26}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 28   and name HB3 ))
      4.000     2.000     2.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.77611E-03 ppm1      9.655 ppm2      3.037 CV     1
 ASSI {   32}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      4.500     2.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.29766E-03 ppm1      9.429 ppm2      0.489 CV     1
 ASSI {   35}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.47784E-02 ppm1      7.953 ppm2      0.488 CV     1
 ASSI {   36}
   (( segid "    " and resid 83   and name HE22))
   (  segid "    " and resid 75   and name HG2%)
      3.600     1.600     1.600 peak    36 spectrum    1 weight  0.10000E+01 volume  0.64220E-03 ppm1      6.683 ppm2      0.488 CV     1
 ASSI {   37}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 68   and name HD3 ))
      3.100     1.200     1.200 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17196E-02 ppm1      7.443 ppm2      0.360 CV     1
 ASSI {   38}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 68   and name HD3 ))
      2.800     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.15492E-02 ppm1      6.948 ppm2      0.360 CV     1
 ASSI {   39}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 68   and name HD3 ))
      4.100     2.100     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.52045E-03 ppm1      6.486 ppm2      0.359 CV     1
 ASSI {   40}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      5.400     3.700     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.41393E-03 ppm1      8.960 ppm2      0.146 CV     1
 ASSI {   41}
   (( segid "    " and resid 62   and name HE1 ))
   (  segid "    " and resid 61   and name HB% )
      3.600     1.600     1.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.28122E-03 ppm1      8.187 ppm2      0.145 CV     1
 ASSI {   42}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 61   and name HB% )
      4.900     3.100     1.100 peak    42 spectrum    1 weight  0.10000E+01 volume  0.45045E-03 ppm1      7.998 ppm2      0.145 CV     1
 ASSI {   43}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 61   and name HB% )
      3.200     1.300     1.300 peak    43 spectrum    1 weight  0.10000E+01 volume  0.57219E-03 ppm1      7.949 ppm2      0.145 CV     1
 ASSI {   45}
   (  segid "    " and resid 14   and name HE% )
   (  segid "    " and resid 61   and name HB% )
      2.800     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.39262E-02 ppm1      7.260 ppm2      0.143 CV     1
 ASSI {   46}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 61   and name HB% )
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.45045E-02 ppm1      7.101 ppm2      0.144 CV     1
 ASSI {   50}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      4.200     2.200     1.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.10501E-02 ppm1      9.297 ppm2      0.053 CV     1
 ASSI {   51}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 68   and name HB3 ))
      4.200     2.200     1.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.86741E-03 ppm1      7.291 ppm2      0.053 CV     1
 ASSI {   52}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB3 ))
      2.600     0.900     0.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.27636E-02 ppm1      7.232 ppm2      0.054 CV     1
 ASSI {   53}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 68   and name HB3 ))
      3.500     1.500     1.500 peak    53 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      6.487 ppm2      0.055 CV     1
 ASSI {   61}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.100     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      9.098 ppm2      1.748 CV     1
 OR {   61}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {   62}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 78   and name HG2 ))
      5.100     3.200     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.24988E-03 ppm1      9.429 ppm2      1.733 CV     1
 ASSI {   66}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.400     1.500     1.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.19570E-02 ppm1      8.455 ppm2      1.707 CV     1
 ASSI {   68}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
      3.000     1.100     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.31045E-02 ppm1      9.123 ppm2      1.671 CV     1
 ASSI {   73}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HG3 ))
      4.400     2.400     1.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.47176E-03 ppm1      9.124 ppm2      1.546 CV     1
 ASSI {   75}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB3 ))
      3.200     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.10379E-02 ppm1      8.455 ppm2      1.528 CV     1
 ASSI {   76}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG13))
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.23223E-02 ppm1      8.708 ppm2      1.518 CV     1
 ASSI {   80}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.400     1.400     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.36219E-02 ppm1      8.369 ppm2      1.500 CV     1
 ASSI {   85}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
      5.900     4.300     0.100 peak    85 spectrum    1 weight  0.10000E+01 volume  0.20453E-03 ppm1      8.385 ppm2      1.415 CV     1
 ASSI {   88}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      2.700     0.900     0.900 peak    88 spectrum    1 weight  0.10000E+01 volume  0.30740E-02 ppm1      8.939 ppm2      1.383 CV     1
 ASSI {   91}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HG2%)
      3.300     1.300     1.300 peak    91 spectrum    1 weight  0.10000E+01 volume  0.32566E-02 ppm1      8.364 ppm2      1.292 CV     1
 ASSI {   95}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.700     1.700     1.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10257E-02 ppm1      8.936 ppm2      1.169 CV     1
 ASSI {   97}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      4.600     2.700     1.400 peak    97 spectrum    1 weight  0.10000E+01 volume  0.36827E-03 ppm1      8.893 ppm2      1.150 CV     1
 ASSI {  100}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG13))
      5.400     3.600     0.600 peak   100 spectrum    1 weight  0.10000E+01 volume  0.30345E-03 ppm1      8.369 ppm2      1.092 CV     1
 ASSI {  101}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HD1%)
      3.900     1.900     1.900 peak   101 spectrum    1 weight  0.10000E+01 volume  0.16192E-02 ppm1      9.124 ppm2      1.065 CV     1
 ASSI {  104}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
      3.900     1.900     1.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.11078E-02 ppm1      9.124 ppm2      0.988 CV     1
 ASSI {  110}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.400     1.400     1.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.33479E-02 ppm1      8.632 ppm2      0.861 CV     1
 ASSI {  111}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      3.700     3.700     2.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.21183E-02 ppm1      8.334 ppm2      0.862 CV     1
 ASSI {  114}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      2.900     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.25931E-02 ppm1      8.938 ppm2      0.764 CV     1
 ASSI {  115}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
      5.200     3.400     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.23953E-03 ppm1      8.829 ppm2      0.774 CV     1
 ASSI {  117}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG3 ))
      3.800     1.800     1.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.61480E-03 ppm1      9.298 ppm2      0.681 CV     1
 ASSI {  119}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      3.300     1.400     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.12113E-02 ppm1      8.610 ppm2      0.634 CV     1
 ASSI {  130}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      4.500     2.500     1.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.81873E-03 ppm1      9.329 ppm2      2.840 CV     1
 ASSI {  131}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     1.000     1.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.20423E-02 ppm1      8.388 ppm2      2.842 CV     1
 ASSI {  134}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      4.500     2.600     1.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.37740E-03 ppm1      8.295 ppm2      2.812 CV     1
 OR {  134}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  135}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.600     1.600     1.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      8.253 ppm2      2.804 CV     1
 ASSI {  140}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      3.400     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.35915E-02 ppm1      8.387 ppm2      2.584 CV     1
 ASSI {  144}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.800     1.800     1.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.51436E-03 ppm1      9.333 ppm2      2.483 CV     1
 ASSI {  145}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 83   and name HG2 ))
      4.700     2.700     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.13483E-03 ppm1      9.428 ppm2      2.469 CV     1
 ASSI {  147}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
      4.200     2.200     1.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      8.830 ppm2      2.459 CV     1
 ASSI {  148}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.700     1.700     1.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.85527E-03 ppm1      8.436 ppm2      2.443 CV     1
 OR {  148}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  149}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak   149 spectrum    1 weight  0.10000E+01 volume  0.36827E-03 ppm1      8.524 ppm2      2.409 CV     1
 ASSI {  150}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.700     1.700     1.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.16161E-02 ppm1      8.194 ppm2      2.366 CV     1
 ASSI {  151}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      4.600     2.600     1.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.42610E-03 ppm1      9.429 ppm2      2.360 CV     1
 ASSI {  152}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG2 ))
      3.900     1.900     1.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      8.991 ppm2      2.353 CV     1
 ASSI {  153}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
      2.700     0.900     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.40175E-02 ppm1      8.935 ppm2      2.343 CV     1
 OR {  153}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI {  154}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.200     1.300     1.300 peak   154 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      8.287 ppm2      2.348 CV     1
 ASSI {  158}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      4.000     2.000     2.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.83093E-03 ppm1      8.196 ppm2      2.283 CV     1
 ASSI {  159}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG2 ))
      3.400     1.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.14244E-02 ppm1      8.703 ppm2      2.272 CV     1
 OR {  159}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG3 ))
 ASSI {  160}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      4.900     3.000     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.36827E-03 ppm1      8.455 ppm2      2.266 CV     1
 ASSI {  161}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG2 ))
      3.500     1.500     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.23040E-02 ppm1      8.365 ppm2      2.261 CV     1
 ASSI {  162}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG3 ))
      4.600     2.700     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.63611E-03 ppm1      8.994 ppm2      2.238 CV     1
 ASSI {  163}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG3 ))
      3.800     1.800     1.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1      9.428 ppm2      2.228 CV     1
 ASSI {  167}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HG3 ))
      3.700     1.700     1.700 peak   167 spectrum    1 weight  0.10000E+01 volume  0.11353E-02 ppm1      8.385 ppm2      2.207 CV     1
 ASSI {  170}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.900     1.900     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.12722E-02 ppm1      8.993 ppm2      2.157 CV     1
 OR {  170}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB3 ))
 ASSI {  173}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.600     0.900     0.900 peak   173 spectrum    1 weight  0.10000E+01 volume  0.23649E-02 ppm1      8.196 ppm2      2.093 CV     1
 ASSI {  175}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      3.200     1.200     1.200 peak   175 spectrum    1 weight  0.10000E+01 volume  0.18566E-02 ppm1      8.935 ppm2      2.074 CV     1
 ASSI {  176}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      3.700     1.700     1.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.97697E-03 ppm1      8.436 ppm2      2.078 CV     1
 ASSI {  179}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HD2 ))
      2.500     2.500     3.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.25353E-01 ppm1      8.703 ppm2      2.021 CV     1
 ASSI {  182}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.200     1.200     1.200 peak   182 spectrum    1 weight  0.10000E+01 volume  0.29127E-02 ppm1      8.196 ppm2      2.013 CV     1
 ASSI {  189}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.800     1.800     1.800 peak   189 spectrum    1 weight  0.10000E+01 volume  0.92829E-03 ppm1      8.195 ppm2      1.927 CV     1
 ASSI {  190}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.800     1.800     1.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.42914E-03 ppm1      9.428 ppm2      1.906 CV     1
 ASSI {  191}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      4.500     2.600     1.500 peak   191 spectrum    1 weight  0.10000E+01 volume  0.53263E-03 ppm1      8.984 ppm2      1.913 CV     1
 ASSI {  193}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      4.300     2.300     1.700 peak   193 spectrum    1 weight  0.10000E+01 volume  0.56610E-03 ppm1      8.456 ppm2      1.909 CV     1
 ASSI {  195}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB3 ))
      3.900     1.900     1.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.10165E-02 ppm1      8.331 ppm2      1.911 CV     1
 ASSI {  198}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.300     0.600     0.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.84307E-02 ppm1      8.574 ppm2      1.870 CV     1
 OR {  198}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  199}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      3.900     1.900     1.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.88871E-03 ppm1      8.890 ppm2      1.850 CV     1
 ASSI {  200}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
      1.900     0.400     0.400 peak   200 spectrum    1 weight  0.10000E+01 volume  0.73047E-02 ppm1      8.609 ppm2      1.853 CV     1
 ASSI {  202}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      2.500     0.800     0.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.61784E-02 ppm1      8.708 ppm2      1.813 CV     1
 ASSI {  203}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HG  ))
      3.200     1.300     1.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.21122E-02 ppm1      9.124 ppm2      1.802 CV     1
 OR {  203}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI {  206}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.25566E-02 ppm1      8.335 ppm2      5.039 CV     1
 ASSI {  210}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.900     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.18931E-02 ppm1      8.253 ppm2      5.036 CV     1
 ASSI {  211}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 63   and name HA  ))
      4.300     2.300     1.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.43523E-03 ppm1      7.710 ppm2      5.025 CV     1
 ASSI {  214}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.800     1.800     1.800 peak   214 spectrum    1 weight  0.10000E+01 volume  0.76391E-03 ppm1      8.554 ppm2      4.922 CV     1
 ASSI {  215}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      4.000     2.000     2.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11018E-02 ppm1      8.370 ppm2      4.925 CV     1
 ASSI {  218}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 72   and name HA  ))
      4.100     2.100     1.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.47176E-03 ppm1      7.712 ppm2      4.926 CV     1
 ASSI {  219}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   219 spectrum    1 weight  0.10000E+01 volume  0.38349E-02 ppm1      8.136 ppm2      4.825 CV     1
 ASSI {  220}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.21031E-02 ppm1      7.948 ppm2      4.831 CV     1
 ASSI {  226}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.200     1.200     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.13574E-02 ppm1      8.386 ppm2      4.653 CV     1
 ASSI {  233}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.28853E-02 ppm1      7.766 ppm2      4.609 CV     1
 OR {  233}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  239}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.100     0.500     0.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.11992E-01 ppm1      8.384 ppm2      4.495 CV     1
 ASSI {  243}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   243 spectrum    1 weight  0.10000E+01 volume  0.52654E-02 ppm1      8.135 ppm2      4.477 CV     1
 ASSI {  248}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      8.187 ppm2      4.385 CV     1
 ASSI {  250}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.700     1.700     1.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.56306E-03 ppm1      8.893 ppm2      4.348 CV     1
 ASSI {  254}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.400     0.700     0.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.65437E-02 ppm1      8.953 ppm2      4.326 CV     1
 ASSI {  258}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.500     1.500     1.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.91305E-03 ppm1      8.051 ppm2      4.313 CV     1
 ASSI {  262}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.100     1.100 peak   262 spectrum    1 weight  0.10000E+01 volume  0.20361E-02 ppm1      8.195 ppm2      4.289 CV     1
 ASSI {  264}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.96787E-03 ppm1      8.431 ppm2      4.277 CV     1
 ASSI {  267}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.25627E-02 ppm1      8.001 ppm2      4.232 CV     1
 ASSI {  275}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.13970E-02 ppm1      8.830 ppm2      4.170 CV     1
 ASSI {  276}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA1 ))
      3.800     1.800     1.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.88264E-03 ppm1      8.523 ppm2      4.169 CV     1
 ASSI {  277}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.54480E-02 ppm1      8.639 ppm2      4.163 CV     1
 ASSI {  278}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.700     0.900     0.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.45958E-02 ppm1      7.870 ppm2      4.145 CV     1
 ASSI {  279}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.800     1.800     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.56002E-03 ppm1      7.705 ppm2      4.146 CV     1
 ASSI {  280}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.76391E-02 ppm1      9.093 ppm2      4.138 CV     1
 ASSI {  284}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   284 spectrum    1 weight  0.10000E+01 volume  0.16892E-02 ppm1      8.195 ppm2      4.135 CV     1
 ASSI {  294}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.800     1.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.71220E-03 ppm1      7.870 ppm2      4.052 CV     1
 ASSI {  295}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.100     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.21092E-02 ppm1      7.701 ppm2      4.056 CV     1
 ASSI {  296}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.800     1.800     1.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.59046E-03 ppm1      8.892 ppm2      3.997 CV     1
 ASSI {  298}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.700     1.700     1.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.15644E-02 ppm1      8.610 ppm2      3.994 CV     1
 ASSI {  299}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.500     3.500     2.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.36523E-03 ppm1      8.368 ppm2      3.991 CV     1
 ASSI {  303}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 62   and name HA  ))
      5.300     3.600     0.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.24958E-03 ppm1      8.186 ppm2      3.965 CV     1
 ASSI {  305}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HD2 ))
      2.800     1.000     1.000 peak   305 spectrum    1 weight  0.10000E+01 volume  0.16344E-02 ppm1      8.330 ppm2      3.955 CV     1
 ASSI {  315}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   315 spectrum    1 weight  0.10000E+01 volume  0.73654E-03 ppm1      8.367 ppm2      3.908 CV     1
 ASSI {  316}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.31957E-02 ppm1      8.561 ppm2      3.892 CV     1
 ASSI {  317}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA2 ))
      2.900     1.100     1.100 peak   317 spectrum    1 weight  0.10000E+01 volume  0.59046E-02 ppm1      7.762 ppm2      3.890 CV     1
 ASSI {  322}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.900     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      8.708 ppm2      3.855 CV     1
 ASSI {  323}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.73350E-03 ppm1      8.287 ppm2      3.801 CV     1
 ASSI {  324}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.700     1.700     1.700 peak   324 spectrum    1 weight  0.10000E+01 volume  0.87354E-03 ppm1      8.187 ppm2      3.802 CV     1
 ASSI {  326}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      3.200     1.300     1.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.14305E-02 ppm1      7.770 ppm2      3.799 CV     1
 ASSI {  330}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.800     1.800     1.800 peak   330 spectrum    1 weight  0.10000E+01 volume  0.68786E-03 ppm1      9.119 ppm2      3.610 CV     1
 ASSI {  332}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.600     1.700     1.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.71826E-03 ppm1      8.187 ppm2      3.603 CV     1
 ASSI {  336}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.500     1.600     1.600 peak   336 spectrum    1 weight  0.10000E+01 volume  0.10287E-02 ppm1      8.891 ppm2      3.490 CV     1
 ASSI {  338}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.900     3.000     1.100 peak   338 spectrum    1 weight  0.10000E+01 volume  0.27088E-03 ppm1      8.609 ppm2      3.489 CV     1
 ASSI {  340}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HD3 ))
      4.200     2.200     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.57219E-03 ppm1      8.334 ppm2      3.402 CV     1
 ASSI {  341}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HD3 ))
      3.900     1.900     1.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.50219E-03 ppm1      8.285 ppm2      3.403 CV     1
 ASSI {  344}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD2 ))
      4.600     2.600     1.400 peak   344 spectrum    1 weight  0.10000E+01 volume  0.42914E-03 ppm1      7.825 ppm2      3.388 CV     1
 OR {  344}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HD3 ))
 ASSI {  353}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.700     0.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.47784E-02 ppm1      7.216 ppm2      5.086 CV     1
 ASSI {  354}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.200     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.23314E-02 ppm1      7.268 ppm2      5.038 CV     1
 ASSI {  355}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.35001E-02 ppm1      7.133 ppm2      5.039 CV     1
 ASSI {  356}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.100     1.100 peak   356 spectrum    1 weight  0.10000E+01 volume  0.24714E-02 ppm1      7.289 ppm2      5.026 CV     1
 ASSI {  358}
   (( segid "    " and resid 83   and name HE22))
   (( segid "    " and resid 63   and name HA  ))
      3.400     1.400     1.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.82783E-03 ppm1      6.683 ppm2      5.026 CV     1
 ASSI {  359}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 59   and name HA  ))
      4.000     2.000     2.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.45958E-03 ppm1      7.078 ppm2      4.943 CV     1
 ASSI {  361}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 72   and name HA  ))
      4.600     2.600     1.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.62393E-03 ppm1      7.292 ppm2      4.926 CV     1
 ASSI {  362}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   362 spectrum    1 weight  0.10000E+01 volume  0.17927E-02 ppm1      6.982 ppm2      4.833 CV     1
 ASSI {  363}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   363 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      6.891 ppm2      4.828 CV     1
 ASSI {  364}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.25688E-02 ppm1      6.880 ppm2      4.644 CV     1
 ASSI {  365}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   365 spectrum    1 weight  0.10000E+01 volume  0.17896E-02 ppm1      7.077 ppm2      4.624 CV     1
 ASSI {  367}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.33479E-02 ppm1      7.162 ppm2      4.598 CV     1
 ASSI {  369}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.28427E-02 ppm1      6.920 ppm2      4.602 CV     1
 ASSI {  370}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
      3.500     1.600     1.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.31349E-03 ppm1      6.790 ppm2      4.596 CV     1
 ASSI {  373}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 6    and name HA  ))
      3.800     1.800     1.800 peak   373 spectrum    1 weight  0.10000E+01 volume  0.66048E-03 ppm1      7.078 ppm2      4.477 CV     1
 ASSI {  374}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 23   and name HA  ))
      4.300     2.300     1.700 peak   374 spectrum    1 weight  0.10000E+01 volume  0.31349E-03 ppm1      6.793 ppm2      4.480 CV     1
 ASSI {  375}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.23101E-02 ppm1      7.558 ppm2      4.385 CV     1
 ASSI {  377}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 60   and name HB2 ))
      4.900     3.000     1.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.35001E-03 ppm1      7.288 ppm2      4.372 CV     1
 ASSI {  378}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 60   and name HB2 ))
      2.600     2.600     3.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.53871E-02 ppm1      7.220 ppm2      4.373 CV     1
 ASSI {  380}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 60   and name HB2 ))
      3.000     1.200     1.200 peak   380 spectrum    1 weight  0.10000E+01 volume  0.16131E-02 ppm1      6.486 ppm2      4.374 CV     1
 ASSI {  381}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   381 spectrum    1 weight  0.10000E+01 volume  0.41393E-03 ppm1      7.265 ppm2      4.347 CV     1
 ASSI {  382}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   382 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1      7.161 ppm2      4.354 CV     1
 ASSI {  383}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   383 spectrum    1 weight  0.10000E+01 volume  0.51132E-02 ppm1      7.101 ppm2      4.342 CV     1
 ASSI {  384}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.200     1.200 peak   384 spectrum    1 weight  0.10000E+01 volume  0.16861E-02 ppm1      7.558 ppm2      4.308 CV     1
 ASSI {  387}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.800     1.800     1.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.49306E-03 ppm1      6.369 ppm2      4.241 CV     1
 ASSI {  388}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.52654E-02 ppm1      7.292 ppm2      4.240 CV     1
 ASSI {  389}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 60   and name HA  ))
      3.200     1.300     1.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12844E-02 ppm1      7.217 ppm2      4.240 CV     1
 ASSI {  390}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 60   and name HA  ))
      2.600     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.46871E-02 ppm1      6.486 ppm2      4.240 CV     1
 ASSI {  393}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     2.500     3.500 peak   393 spectrum    1 weight  0.10000E+01 volume  0.66655E-02 ppm1      7.530 ppm2      4.197 CV     1
 ASSI {  397}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     0.700     0.700 peak   397 spectrum    1 weight  0.10000E+01 volume  0.78832E-02 ppm1      7.485 ppm2      4.134 CV     1
 ASSI {  400}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.14244E-02 ppm1      7.601 ppm2      4.063 CV     1
 ASSI {  403}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.000     2.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.84307E-03 ppm1      6.717 ppm2      4.063 CV     1
 ASSI {  404}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      4.400     2.400     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.26570E-03 ppm1      6.610 ppm2      4.051 CV     1
 ASSI {  405}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   405 spectrum    1 weight  0.10000E+01 volume  0.20514E-02 ppm1      6.648 ppm2      4.050 CV     1
 ASSI {  408}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 78   and name HD2 ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.25566E-02 ppm1      7.133 ppm2      3.961 CV     1
 ASSI {  412}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.400     1.400     1.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.12296E-02 ppm1      6.368 ppm2      3.918 CV     1
 ASSI {  413}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.000     0.500     0.500 peak   413 spectrum    1 weight  0.10000E+01 volume  0.73350E-02 ppm1      6.957 ppm2      3.891 CV     1
 ASSI {  414}
   (( segid "    " and resid 83   and name HE22))
   (( segid "    " and resid 83   and name HA  ))
      4.200     2.200     1.800 peak   414 spectrum    1 weight  0.10000E+01 volume  0.62089E-03 ppm1      6.682 ppm2      3.890 CV     1
 ASSI {  416}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 45   and name HA  ))
      4.700     2.800     1.300 peak   416 spectrum    1 weight  0.10000E+01 volume  0.40784E-03 ppm1      6.650 ppm2      3.867 CV     1
 ASSI {  417}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.100     1.100 peak   417 spectrum    1 weight  0.10000E+01 volume  0.18475E-02 ppm1      7.523 ppm2      3.848 CV     1
 ASSI {  418}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak   418 spectrum    1 weight  0.10000E+01 volume  0.21609E-02 ppm1      7.292 ppm2      3.854 CV     1
 ASSI {  422}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.900     0.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1      6.893 ppm2      3.802 CV     1
 ASSI {  424}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 76   and name HD3 ))
      3.000     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.12296E-02 ppm1      6.982 ppm2      3.715 CV     1
 ASSI {  425}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.900     1.900     1.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.70309E-03 ppm1      6.606 ppm2      3.653 CV     1
 ASSI {  428}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.900     1.100     1.100 peak   428 spectrum    1 weight  0.10000E+01 volume  0.14944E-02 ppm1      7.601 ppm2      3.583 CV     1
 ASSI {  429}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB2 ))
      3.700     1.700     1.700 peak   429 spectrum    1 weight  0.10000E+01 volume  0.26449E-02 ppm1      7.524 ppm2      3.580 CV     1
 ASSI {  430}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.43219E-03 ppm1      7.602 ppm2      3.488 CV     1
 ASSI {  432}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HB2 ))
      2.500     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.39871E-02 ppm1      7.216 ppm2      3.492 CV     1
 ASSI {  433}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.700     1.700     1.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.61480E-03 ppm1      7.023 ppm2      3.491 CV     1
 ASSI {  434}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 28   and name HB2 ))
      3.200     1.300     1.300 peak   434 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      6.948 ppm2      3.491 CV     1
 ASSI {  435}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 78   and name HD3 ))
      4.000     2.000     2.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.72440E-03 ppm1      7.263 ppm2      3.407 CV     1
 ASSI {  436}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 78   and name HD3 ))
      3.600     1.600     1.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.10865E-02 ppm1      7.133 ppm2      3.404 CV     1
 ASSI {  439}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 10   and name HD2 ))
      4.400     2.400     1.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.66958E-03 ppm1      7.577 ppm2      3.329 CV     1
 ASSI {  440}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HD2 ))
      3.100     1.200     1.200 peak   440 spectrum    1 weight  0.10000E+01 volume  0.77308E-03 ppm1      6.648 ppm2      3.328 CV     1
 ASSI {  441}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 60   and name HB3 ))
      4.900     3.000     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.51741E-03 ppm1      7.292 ppm2      3.321 CV     1
 ASSI {  443}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 60   and name HB3 ))
      3.400     1.500     1.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      6.486 ppm2      3.320 CV     1
 ASSI {  445}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.500     1.500 peak   445 spectrum    1 weight  0.10000E+01 volume  0.77004E-03 ppm1      7.264 ppm2      3.182 CV     1
 ASSI {  448}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HB2 ))
      2.500     0.800     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.51436E-02 ppm1      7.162 ppm2      3.165 CV     1
 ASSI {  449}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB2 ))
      2.500     0.800     0.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.47176E-02 ppm1      6.648 ppm2      3.167 CV     1
 ASSI {  451}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB3 ))
      3.900     1.900     1.900 peak   451 spectrum    1 weight  0.10000E+01 volume  0.10957E-02 ppm1      7.601 ppm2      3.125 CV     1
 ASSI {  452}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.300     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.45958E-02 ppm1      7.523 ppm2      3.121 CV     1
 ASSI {  460}
   (( segid "    " and resid 83   and name HE22))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.20940E-02 ppm1      6.687 ppm2      3.103 CV     1
 ASSI {  461}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 17   and name HD3 ))
      3.400     3.400     2.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.60567E-03 ppm1      6.795 ppm2      3.092 CV     1
 ASSI {  462}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 28   and name HB3 ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.50523E-02 ppm1      7.216 ppm2      3.038 CV     1
 ASSI {  463}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 28   and name HB3 ))
      3.600     1.600     1.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.94049E-03 ppm1      7.025 ppm2      3.039 CV     1
 ASSI {  464}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 28   and name HB3 ))
      2.900     1.100     1.100 peak   464 spectrum    1 weight  0.10000E+01 volume  0.16405E-02 ppm1      6.949 ppm2      3.038 CV     1
 ASSI {  466}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.400     2.400     1.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.70613E-03 ppm1      7.554 ppm2      2.985 CV     1
 ASSI {  467}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 25   and name HD3 ))
      4.400     2.400     1.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.39566E-03 ppm1      7.095 ppm2      2.977 CV     1
 ASSI {  468}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 25   and name HD3 ))
      3.600     1.600     1.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.93739E-03 ppm1      6.794 ppm2      2.982 CV     1
 ASSI {  471}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 72   and name HB2 ))
      4.100     2.100     1.900 peak   471 spectrum    1 weight  0.10000E+01 volume  0.82783E-03 ppm1      6.487 ppm2      2.916 CV     1
 ASSI {  472}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.600     2.600     1.400 peak   472 spectrum    1 weight  0.10000E+01 volume  0.46567E-03 ppm1      7.133 ppm2      2.904 CV     1
 ASSI {  474}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      6.880 ppm2      2.842 CV     1
 ASSI {  475}
   (( segid "    " and resid 11   and name HD21))
   (( segid "    " and resid 11   and name HB3 ))
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.18901E-02 ppm1      7.631 ppm2      2.811 CV     1
 ASSI {  477}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HB3 ))
      2.600     0.900     0.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      7.161 ppm2      2.809 CV     1
 ASSI {  479}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HB3 ))
      4.800     2.900     1.200 peak   479 spectrum    1 weight  0.10000E+01 volume  0.49306E-03 ppm1      6.791 ppm2      2.810 CV     1
 ASSI {  481}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 68   and name HE2 ))
      4.800     2.900     1.200 peak   481 spectrum    1 weight  0.10000E+01 volume  0.71220E-03 ppm1      7.442 ppm2      2.695 CV     1
 ASSI {  482}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB3 ))
      4.600     2.600     1.400 peak   482 spectrum    1 weight  0.10000E+01 volume  0.73654E-03 ppm1      7.263 ppm2      2.696 CV     1
 ASSI {  484}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HB3 ))
      2.500     0.800     0.800 peak   484 spectrum    1 weight  0.10000E+01 volume  0.54176E-02 ppm1      7.101 ppm2      2.695 CV     1
 ASSI {  487}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 26   and name HB3 ))
      3.400     1.400     1.400 peak   487 spectrum    1 weight  0.10000E+01 volume  0.91919E-03 ppm1      6.487 ppm2      2.641 CV     1
 ASSI {  488}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HG2 ))
      3.600     1.600     1.600 peak   488 spectrum    1 weight  0.10000E+01 volume  0.75481E-03 ppm1      7.435 ppm2      2.586 CV     1
 ASSI {  489}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 27   and name HB3 ))
      2.500     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.48393E-02 ppm1      6.879 ppm2      2.580 CV     1
 ASSI {  490}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HG2 ))
      4.700     2.700     1.300 peak   490 spectrum    1 weight  0.10000E+01 volume  0.44740E-03 ppm1      6.830 ppm2      2.585 CV     1
 ASSI {  494}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 77   and name HB3 ))
      3.700     1.800     1.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      7.133 ppm2      2.510 CV     1
 ASSI {  495}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.12600E-01 ppm1      6.981 ppm2      2.507 CV     1
 ASSI {  496}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 58   and name HB  ))
      3.900     1.900     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.56002E-03 ppm1      7.217 ppm2      2.485 CV     1
 ASSI {  497}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.37436E-02 ppm1      7.025 ppm2      2.483 CV     1
 ASSI {  498}
   (( segid "    " and resid 83   and name HE22))
   (( segid "    " and resid 83   and name HG2 ))
      4.000     2.000     2.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.13088E-02 ppm1      6.684 ppm2      2.471 CV     1
 ASSI {  499}
   (( segid "    " and resid 39   and name HE21))
   (( segid "    " and resid 39   and name HG3 ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.16496E-02 ppm1      7.436 ppm2      2.459 CV     1
 ASSI {  500}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HG3 ))
      4.300     2.300     1.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.70309E-03 ppm1      6.830 ppm2      2.459 CV     1
 ASSI {  502}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.800     1.800     1.800 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11809E-02 ppm1      7.358 ppm2      2.439 CV     1
 OR {  502}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI {  503}
   (( segid "    " and resid 55   and name HE22))
   (( segid "    " and resid 55   and name HG3 ))
      3.200     1.300     1.300 peak   503 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      6.886 ppm2      2.441 CV     1
 OR {  503}
   (( segid "    " and resid 55   and name HE22))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  504}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 74   and name HD2 ))
      4.200     2.200     1.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.40784E-03 ppm1      7.602 ppm2      2.402 CV     1
 ASSI {  505}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HB3 ))
      2.400     0.700     0.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.44740E-02 ppm1      7.292 ppm2      2.411 CV     1
 ASSI {  507}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HD2 ))
      4.100     2.100     1.900 peak   507 spectrum    1 weight  0.10000E+01 volume  0.10927E-02 ppm1      6.716 ppm2      2.402 CV     1
 ASSI {  508}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 9    and name HB3 ))
      2.400     0.700     0.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.47784E-02 ppm1      6.648 ppm2      2.399 CV     1
 ASSI {  510}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 76   and name HG2 ))
      4.300     2.300     1.700 peak   510 spectrum    1 weight  0.10000E+01 volume  0.12113E-02 ppm1      6.894 ppm2      2.354 CV     1
 ASSI {  512}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 76   and name HG3 ))
      3.300     1.400     1.400 peak   512 spectrum    1 weight  0.10000E+01 volume  0.25597E-02 ppm1      6.982 ppm2      2.227 CV     1
 OR {  512}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  513}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 76   and name HG3 ))
      2.500     0.800     0.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.35306E-02 ppm1      6.893 ppm2      2.227 CV     1
 OR {  513}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  514}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 76   and name HG3 ))
      4.300     2.300     1.700 peak   514 spectrum    1 weight  0.10000E+01 volume  0.59958E-03 ppm1      6.644 ppm2      2.227 CV     1
 OR {  514}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 76   and name HB3 ))
 ASSI {  516}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.600     2.600     3.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.81266E-02 ppm1      6.972 ppm2      2.161 CV     1
 ASSI {  520}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 75   and name HB  ))
      5.600     4.000     0.400 peak   520 spectrum    1 weight  0.10000E+01 volume  0.15826E-03 ppm1      6.984 ppm2      2.085 CV     1
 ASSI {  521}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.200     1.300     1.300 peak   521 spectrum    1 weight  0.10000E+01 volume  0.58437E-03 ppm1      6.606 ppm2      2.090 CV     1
 ASSI {  525}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.200     1.200 peak   525 spectrum    1 weight  0.10000E+01 volume  0.18413E-02 ppm1      7.485 ppm2      2.015 CV     1
 ASSI {  526}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 57   and name HB2 ))
      3.600     1.600     1.600 peak   526 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      6.878 ppm2      1.933 CV     1
 ASSI {  531}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 58   and name HG12))
      2.900     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.27727E-02 ppm1      7.022 ppm2      1.870 CV     1
 ASSI {  532}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 62   and name HB3 ))
      4.500     2.600     1.500 peak   532 spectrum    1 weight  0.10000E+01 volume  0.52045E-03 ppm1      7.291 ppm2      1.866 CV     1
 ASSI {  535}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 31   and name HD3 ))
      2.700     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.24866E-02 ppm1      6.947 ppm2      1.843 CV     1
 ASSI {  536}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 10   and name HD3 ))
      4.600     2.600     1.400 peak   536 spectrum    1 weight  0.10000E+01 volume  0.61480E-03 ppm1      6.897 ppm2      1.849 CV     1
 ASSI {  537}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HD3 ))
      4.100     2.100     1.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.18505E-02 ppm1      6.648 ppm2      1.848 CV     1
 ASSI {  539}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak   539 spectrum    1 weight  0.10000E+01 volume  0.45958E-02 ppm1      7.528 ppm2      1.831 CV     1
 ASSI {  540}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 31   and name HD3 ))
      3.000     1.100     1.100 peak   540 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      7.445 ppm2      1.826 CV     1
 ASSI {  543}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG3 ))
      3.900     1.900     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.24166E-02 ppm1      6.606 ppm2      1.779 CV     1
 ASSI {  546}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 57   and name HB3 ))
      2.600     0.900     0.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.21518E-02 ppm1      6.879 ppm2      1.698 CV     1
 ASSI {  548}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 58   and name HG13))
      2.600     0.900     0.900 peak   548 spectrum    1 weight  0.10000E+01 volume  0.28062E-02 ppm1      7.024 ppm2      1.679 CV     1
 ASSI {  550}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 17   and name HB3 ))
      3.100     1.200     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.18596E-02 ppm1      7.161 ppm2      1.671 CV     1
 OR {  550}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  551}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 17   and name HB3 ))
      3.500     1.600     1.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.83093E-03 ppm1      6.792 ppm2      1.674 CV     1
 OR {  551}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  553}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HG2 ))
      3.900     1.900     1.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.82176E-03 ppm1      6.648 ppm2      1.645 CV     1
 OR {  553}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HG3 ))
 ASSI {  557}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HG2 ))
      4.600     2.700     1.400 peak   557 spectrum    1 weight  0.10000E+01 volume  0.71220E-03 ppm1      6.715 ppm2      1.527 CV     1
 ASSI {  562}
   (( segid "    " and resid 9    and name HZ  ))
   (  segid "    " and resid 44   and name HB% )
      3.200     1.300     1.300 peak   562 spectrum    1 weight  0.10000E+01 volume  0.12844E-02 ppm1      6.981 ppm2      1.510 CV     1
 ASSI {  563}
   (  segid "    " and resid 9    and name HE% )
   (  segid "    " and resid 44   and name HB% )
      2.900     1.100     1.100 peak   563 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      6.892 ppm2      1.508 CV     1
 ASSI {  564}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 44   and name HB% )
      3.700     1.700     1.700 peak   564 spectrum    1 weight  0.10000E+01 volume  0.14944E-02 ppm1      6.647 ppm2      1.511 CV     1
 ASSI {  565}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 78   and name HG3 ))
      3.000     1.100     1.100 peak   565 spectrum    1 weight  0.10000E+01 volume  0.15675E-02 ppm1      7.055 ppm2      1.498 CV     1
 ASSI {  566}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG12))
      4.300     2.300     1.700 peak   566 spectrum    1 weight  0.10000E+01 volume  0.69696E-03 ppm1      6.607 ppm2      1.490 CV     1
 ASSI {  567}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG3 ))
      3.300     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.17166E-02 ppm1      7.485 ppm2      1.479 CV     1
 OR {  567}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG2 ))
 ASSI {  569}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HG2 ))
      3.500     1.600     1.600 peak   569 spectrum    1 weight  0.10000E+01 volume  0.18109E-02 ppm1      7.104 ppm2      1.457 CV     1
 OR {  569}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  570}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 13   and name HD3 ))
      3.200     1.300     1.300 peak   570 spectrum    1 weight  0.10000E+01 volume  0.13727E-02 ppm1      7.264 ppm2      1.445 CV     1
 OR {  570}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 13   and name HD2 ))
 ASSI {  571}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 13   and name HD3 ))
      2.700     2.700     3.300 peak   571 spectrum    1 weight  0.10000E+01 volume  0.16070E-02 ppm1      7.132 ppm2      1.443 CV     1
 OR {  571}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 13   and name HD2 ))
 ASSI {  575}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HD3 ))
      2.600     0.800     0.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.23192E-02 ppm1      6.717 ppm2      1.387 CV     1
 ASSI {  576}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.500     0.800     0.800 peak   576 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      7.442 ppm2      1.373 CV     1
 ASSI {  578}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 79   and name HG2%)
      3.200     1.300     1.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.45958E-02 ppm1      7.574 ppm2      1.295 CV     1
 ASSI {  579}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 58   and name HG2%)
      3.500     1.500     1.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.28488E-02 ppm1      7.525 ppm2      1.254 CV     1
 ASSI {  580}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
      4.300     2.300     1.700 peak   580 spectrum    1 weight  0.10000E+01 volume  0.53567E-03 ppm1      7.294 ppm2      1.254 CV     1
 ASSI {  581}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.63611E-03 ppm1      7.217 ppm2      1.256 CV     1
 ASSI {  582}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 58   and name HG2%)
      3.500     1.600     1.600 peak   582 spectrum    1 weight  0.10000E+01 volume  0.18566E-02 ppm1      7.024 ppm2      1.256 CV     1
 ASSI {  584}
   (( segid "    " and resid 63   and name HZ  ))
   (  segid "    " and resid 58   and name HG2%)
      3.300     1.400     1.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.19692E-02 ppm1      6.717 ppm2      1.249 CV     1
 ASSI {  585}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 58   and name HG2%)
      2.500     0.800     0.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      6.648 ppm2      1.252 CV     1
 ASSI {  586}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.100     2.100     1.900 peak   586 spectrum    1 weight  0.10000E+01 volume  0.76391E-03 ppm1      6.369 ppm2      1.252 CV     1
 ASSI {  587}
   (  segid "    " and resid 9    and name HE% )
   (  segid "    " and resid 58   and name HG2%)
      2.900     1.100     1.100 peak   587 spectrum    1 weight  0.10000E+01 volume  0.29583E-02 ppm1      6.894 ppm2      1.245 CV     1
 ASSI {  588}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 73   and name HG13))
      3.100     1.200     1.200 peak   588 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      7.597 ppm2      1.225 CV     1
 ASSI {  589}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      4.600     2.600     1.400 peak   589 spectrum    1 weight  0.10000E+01 volume  0.62089E-03 ppm1      7.676 ppm2      1.186 CV     1
 ASSI {  591}
   (( segid "    " and resid 55   and name HE21))
   (  segid "    " and resid 6    and name HG2%)
      2.500     2.500     3.500 peak   591 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      7.528 ppm2      1.165 CV     1
 ASSI {  593}
   (( segid "    " and resid 41   and name HZ2 ))
   (  segid "    " and resid 37   and name HD1%)
      3.800     1.800     1.800 peak   593 spectrum    1 weight  0.10000E+01 volume  0.93739E-03 ppm1      7.443 ppm2      1.150 CV     1
 ASSI {  594}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      4.700     2.800     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.79438E-03 ppm1      6.606 ppm2      1.148 CV     1
 ASSI {  595}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 13   and name HG2 ))
      3.700     1.700     1.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.48089E-03 ppm1      7.263 ppm2      1.104 CV     1
 ASSI {  596}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 13   and name HG2 ))
      3.500     1.500     1.500 peak   596 spectrum    1 weight  0.10000E+01 volume  0.83700E-03 ppm1      7.101 ppm2      1.102 CV     1
 ASSI {  597}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG13))
      2.500     2.500     3.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.16922E-02 ppm1      6.953 ppm2      1.082 CV     1
 ASSI {  598}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HD1%)
      4.500     2.500     1.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.47784E-03 ppm1      7.358 ppm2      1.066 CV     1
 ASSI {  599}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 58   and name HD1%)
      2.700     0.900     0.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.26905E-02 ppm1      6.648 ppm2      1.043 CV     1
 ASSI {  600}
   (( segid "    " and resid 41   and name HD1 ))
   (  segid "    " and resid 37   and name HD2%)
      3.800     1.800     1.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.15583E-02 ppm1      7.602 ppm2      1.018 CV     1
 ASSI {  601}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 30   and name HD1%)
      3.400     3.400     2.600 peak   601 spectrum    1 weight  0.10000E+01 volume  0.19692E-02 ppm1      7.024 ppm2      1.022 CV     1
 ASSI {  603}
   (( segid "    " and resid 41   and name HZ2 ))
   (  segid "    " and resid 37   and name HD2%)
      3.600     1.700     1.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      7.439 ppm2      1.007 CV     1
 ASSI {  604}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
      2.700     0.900     0.900 peak   604 spectrum    1 weight  0.10000E+01 volume  0.32262E-02 ppm1      7.674 ppm2      0.989 CV     1
 ASSI {  606}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 75   and name HG1%)
      1.900     0.500     0.500 peak   606 spectrum    1 weight  0.10000E+01 volume  0.74570E-02 ppm1      6.948 ppm2      0.963 CV     1
 ASSI {  607}
   (( segid "    " and resid 39   and name HE22))
   (  segid "    " and resid 36   and name HG2%)
      2.900     2.900     3.100 peak   607 spectrum    1 weight  0.10000E+01 volume  0.10957E-02 ppm1      6.831 ppm2      0.963 CV     1
 ASSI {  608}
   (( segid "    " and resid 83   and name HE22))
   (  segid "    " and resid 75   and name HG1%)
      3.400     1.400     1.400 peak   608 spectrum    1 weight  0.10000E+01 volume  0.14335E-02 ppm1      6.683 ppm2      0.963 CV     1
 ASSI {  610}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 30   and name HG2%)
      2.800     1.000     1.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.30345E-02 ppm1      7.524 ppm2      0.929 CV     1
 ASSI {  611}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 30   and name HG2%)
      4.000     2.000     2.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.88568E-03 ppm1      7.020 ppm2      0.939 CV     1
 ASSI {  612}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      3.500     1.500     1.500 peak   612 spectrum    1 weight  0.10000E+01 volume  0.24349E-02 ppm1      7.674 ppm2      0.922 CV     1
 ASSI {  613}
   (  segid "    " and resid 18   and name HD% )
   (  segid "    " and resid 21   and name HD1%)
      3.800     1.800     1.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.79438E-03 ppm1      7.162 ppm2      0.908 CV     1
 OR {  613}
   (  segid "    " and resid 18   and name HD% )
   (  segid "    " and resid 21   and name HD2%)
 ASSI {  616}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HG3 ))
      3.500     1.600     1.600 peak   616 spectrum    1 weight  0.10000E+01 volume  0.10287E-02 ppm1      6.717 ppm2      0.886 CV     1
 ASSI {  619}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      4.400     2.400     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.66655E-03 ppm1      6.608 ppm2      0.859 CV     1
 ASSI {  620}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HD1%)
      4.200     2.200     1.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.69089E-03 ppm1      6.958 ppm2      0.837 CV     1
 ASSI {  622}
   (( segid "    " and resid 41   and name HD1 ))
   (  segid "    " and resid 73   and name HG2%)
      3.100     1.200     1.200 peak   622 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      7.593 ppm2      0.788 CV     1
 ASSI {  625}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 45   and name HG2%)
      2.600     0.900     0.900 peak   625 spectrum    1 weight  0.10000E+01 volume  0.39566E-02 ppm1      6.648 ppm2      0.784 CV     1
 ASSI {  626}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 13   and name HG3 ))
      3.400     3.400     2.600 peak   626 spectrum    1 weight  0.10000E+01 volume  0.38349E-03 ppm1      7.265 ppm2      0.747 CV     1
 ASSI {  630}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 31   and name HG3 ))
      5.300     3.500     0.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.33175E-03 ppm1      7.602 ppm2      0.724 CV     1
 ASSI {  631}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 68   and name HG3 ))
      4.300     2.300     1.700 peak   631 spectrum    1 weight  0.10000E+01 volume  0.84307E-03 ppm1      6.487 ppm2      0.689 CV     1
 ASSI {  633}
   (( segid "    " and resid 27   and name HZ  ))
   (  segid "    " and resid 5    and name HG2%)
      3.400     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.42306E-03 ppm1      7.177 ppm2      0.642 CV     1
 ASSI {  634}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 5    and name HG2%)
      3.800     1.800     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.78832E-03 ppm1      7.079 ppm2      0.641 CV     1
 ASSI {  635}
   (  segid "    " and resid 27   and name HD% )
   (  segid "    " and resid 5    and name HG2%)
      3.300     1.400     1.400 peak   635 spectrum    1 weight  0.10000E+01 volume  0.13544E-02 ppm1      6.879 ppm2      0.640 CV     1
 ASSI {  636}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.000     1.200     1.200 peak   636 spectrum    1 weight  0.10000E+01 volume  0.11657E-02 ppm1      8.069 ppm2      2.135 CV     1
 ASSI {  639}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   639 spectrum    1 weight  0.10000E+01 volume  0.14518E-02 ppm1      8.123 ppm2      2.033 CV     1
 ASSI {  640}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.600     0.800     0.800 peak   640 spectrum    1 weight  0.10000E+01 volume  0.38349E-02 ppm1      8.070 ppm2      2.026 CV     1
 ASSI {  642}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB3 ))
      3.400     1.400     1.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.23131E-02 ppm1      7.849 ppm2      1.980 CV     1
 ASSI {  646}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG3 ))
      3.000     1.200     1.200 peak   646 spectrum    1 weight  0.10000E+01 volume  0.27666E-02 ppm1      8.063 ppm2      1.892 CV     1
 ASSI {  649}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.200     1.300     1.300 peak   649 spectrum    1 weight  0.10000E+01 volume  0.31045E-02 ppm1      8.050 ppm2      1.806 CV     1
 ASSI {  655}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      3.100     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.32262E-02 ppm1      8.135 ppm2      1.588 CV     1
 ASSI {  656}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.900     3.900     2.100 peak   656 spectrum    1 weight  0.11000E+01 volume  0.97697E-03 ppm1      8.004 ppm2      1.577 CV     1
 ASSI {  663}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      2.200     2.200     3.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.17044E-01 ppm1      8.080 ppm2      1.481 CV     1
 ASSI {  664}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.400     1.500     1.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.30070E-02 ppm1      7.769 ppm2      1.480 CV     1
 ASSI {  665}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.200     1.300     1.300 peak   665 spectrum    1 weight  0.10000E+01 volume  0.41697E-02 ppm1      8.138 ppm2      1.353 CV     1
 ASSI {  666}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.800     1.000     1.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.13026E-02 ppm1      8.087 ppm2      1.277 CV     1
 ASSI {  669}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 58   and name HG2%)
      2.200     0.600     0.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.65741E-02 ppm1      7.949 ppm2      1.255 CV     1
 ASSI {  672}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG13))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.98310E-03 ppm1      7.707 ppm2      1.210 CV     1
 ASSI {  673}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      2.600     2.600     3.400 peak   673 spectrum    1 weight  0.10000E+01 volume  0.10439E-01 ppm1      8.196 ppm2      1.178 CV     1
 ASSI {  675}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 58   and name HD1%)
      5.200     3.300     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.42610E-03 ppm1      7.948 ppm2      1.044 CV     1
 ASSI {  683}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.900     1.900     1.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.11900E-02 ppm1      8.253 ppm2      0.796 CV     1
 ASSI {  689}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      4.700     2.700     1.300 peak   689 spectrum    1 weight  0.10000E+01 volume  0.44132E-03 ppm1      8.139 ppm2      0.633 CV     1
 ASSI {  690}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HD3 ))
      4.300     2.300     1.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.14396E-02 ppm1      8.130 ppm2      2.976 CV     1
 ASSI {  693}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.300     1.400     1.400 peak   693 spectrum    1 weight  0.10000E+01 volume  0.75784E-03 ppm1      8.087 ppm2      2.908 CV     1
 ASSI {  698}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 72   and name HB3 ))
      3.900     1.900     1.900 peak   698 spectrum    1 weight  0.10000E+01 volume  0.41393E-03 ppm1      7.712 ppm2      2.805 CV     1
 ASSI {  706}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.500     1.500     1.500 peak   706 spectrum    1 weight  0.10000E+01 volume  0.12083E-02 ppm1      8.121 ppm2      2.241 CV     1
 OR {  706}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
 ASSI {  709}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HG2%)
      4.200     2.200     1.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.49001E-03 ppm1      8.335 ppm2      0.490 CV     1
 ASSI {  711}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      3.700     1.700     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.92222E-03 ppm1      9.298 ppm2      1.472 CV     1
 ASSI {  712}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA1 ))
      3.400     1.400     1.400 peak   712 spectrum    1 weight  0.10000E+01 volume  0.11504E-02 ppm1      8.477 ppm2      4.060 CV     1
 ASSI {  714}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.900     1.900     1.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.61176E-03 ppm1      8.830 ppm2      4.049 CV     1
 ASSI {  716}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.400     2.400     1.600 peak   716 spectrum    1 weight  0.10000E+01 volume  0.37132E-03 ppm1      9.658 ppm2      4.655 CV     1
 ASSI {  717}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak   717 spectrum    1 weight  0.10000E+01 volume  0.33479E-03 ppm1      9.654 ppm2      4.565 CV     1
 ASSI {  718}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA1 ))
      3.400     1.400     1.400 peak   718 spectrum    1 weight  0.10000E+01 volume  0.15766E-02 ppm1      9.894 ppm2      4.573 CV     1
 ASSI {  721}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 86   and name HD1%)
      4.200     2.200     1.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.53567E-03 ppm1      8.551 ppm2      0.862 CV     1
 ASSI {  723}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.500     1.600     1.600 peak   723 spectrum    1 weight  0.10000E+01 volume  0.18079E-02 ppm1      8.070 ppm2      2.313 CV     1
 ASSI {  724}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 12   and name HB3 ))
      4.300     2.300     1.700 peak   724 spectrum    1 weight  0.10000E+01 volume  0.79135E-03 ppm1      8.187 ppm2      3.138 CV     1
 ASSI {  726}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.500     2.500     1.500 peak   726 spectrum    1 weight  0.10000E+01 volume  0.67869E-03 ppm1      8.251 ppm2      2.932 CV     1
 ASSI {  728}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.400     2.400     1.600 peak   728 spectrum    1 weight  0.10000E+01 volume  0.71826E-03 ppm1      7.811 ppm2      4.935 CV     1
 ASSI {  729}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.500     1.500     1.500 peak   729 spectrum    1 weight  0.10000E+01 volume  0.75177E-03 ppm1      7.802 ppm2      4.502 CV     1
 ASSI {  731}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.36219E-03 ppm1      7.675 ppm2      4.136 CV     1
 ASSI {  734}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 58   and name HB  ))
      3.400     1.400     1.400 peak   734 spectrum    1 weight  0.10000E+01 volume  0.33479E-02 ppm1      7.529 ppm2      2.473 CV     1
 ASSI {  736}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 73   and name HG12))
      3.300     1.400     1.400 peak   736 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      7.601 ppm2      1.552 CV     1
 OR {  736}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  737}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HG  ))
      2.700     0.900     0.900 peak   737 spectrum    1 weight  0.10000E+01 volume  0.35306E-02 ppm1      8.082 ppm2      1.600 CV     1
 ASSI {  739}
   (( segid "    " and resid 39   and name HE21))
   (  segid "    " and resid 36   and name HG2%)
      3.700     1.700     1.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.54176E-03 ppm1      7.437 ppm2      0.965 CV     1
 ASSI {  740}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      4.500     2.500     1.500 peak   740 spectrum    1 weight  0.10000E+01 volume  0.46871E-03 ppm1      7.765 ppm2      0.637 CV     1
 ASSI {  742}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      4.300     2.300     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.10622E-03 ppm1      7.997 ppm2      1.313 CV     1
 ASSI {  744}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 56   and name HD1%)
      4.700     2.800     1.300 peak   744 spectrum    1 weight  0.10000E+01 volume  0.27483E-03 ppm1      6.920 ppm2      1.064 CV     1
 ASSI {  745}
   (( segid "    " and resid 39   and name HE22))
   (  segid "    " and resid 36   and name HD1%)
      3.700     1.700     1.700 peak   745 spectrum    1 weight  0.10000E+01 volume  0.23101E-03 ppm1      6.830 ppm2      0.998 CV     1
 ASSI {  746}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 74   and name HG3 ))
      3.000     1.100     1.100 peak   746 spectrum    1 weight  0.10000E+01 volume  0.10835E-02 ppm1      7.522 ppm2      0.880 CV     1
 ASSI {  748}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HD2 ))
      3.400     1.400     1.400 peak   748 spectrum    1 weight  0.10000E+01 volume  0.94656E-03 ppm1      7.100 ppm2      3.073 CV     1
 OR {  748}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HD3 ))
 ASSI {  749}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 9    and name HB2 ))
      5.100     3.300     0.900 peak   749 spectrum    1 weight  0.10000E+01 volume  0.25627E-03 ppm1      6.887 ppm2      3.149 CV     1
 ASSI {  751}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      6.000     5.200     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.21883E-04 ppm1      7.058 ppm2      3.957 CV     1
 ASSI {  753}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.800     1.000     1.000 peak   753 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1      6.717 ppm2      1.205 CV     1
 OR {  753}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  754}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 45   and name HG13))
      4.400     2.400     1.600 peak   754 spectrum    1 weight  0.10000E+01 volume  0.90698E-03 ppm1      6.649 ppm2      1.191 CV     1
 ASSI {  755}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 45   and name HG13))
      3.600     1.600     1.600 peak   755 spectrum    1 weight  0.10000E+01 volume  0.12387E-02 ppm1      6.894 ppm2      1.191 CV     1
 ASSI {  756}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.600     1.500 peak   756 spectrum    1 weight  0.10000E+01 volume  0.65437E-03 ppm1      7.948 ppm2      5.362 CV     1
 ASSI {  763}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      4.300     2.300     1.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.50523E-03 ppm1      9.428 ppm2      7.297 CV     1
 ASSI {  764}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 63   and name HD% )
      4.300     2.300     1.700 peak   764 spectrum    1 weight  0.10000E+01 volume  0.90091E-03 ppm1      9.299 ppm2      7.296 CV     1
 ASSI {  767}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 41   and name HZ3 ))
      4.300     2.300     1.700 peak   767 spectrum    1 weight  0.10000E+01 volume  0.43523E-03 ppm1      9.657 ppm2      7.029 CV     1
 ASSI {  770}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      3.900     1.900     1.900 peak   770 spectrum    1 weight  0.10000E+01 volume  0.32566E-03 ppm1      8.323 ppm2      7.847 CV     1
 ASSI {  778}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.500     1.500 peak   778 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      8.938 ppm2      7.563 CV     1
 ASSI {  782}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.800     2.900     1.200 peak   782 spectrum    1 weight  0.10000E+01 volume  0.44132E-03 ppm1      9.124 ppm2      7.361 CV     1
 ASSI {  784}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 14   and name HE% )
      4.600     2.700     1.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      8.957 ppm2      7.266 CV     1
 ASSI {  787}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 27   and name HE% )
      4.100     2.100     1.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.46262E-03 ppm1      9.098 ppm2      7.082 CV     1
 ASSI {  790}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.37132E-03 ppm1      8.830 ppm2      6.610 CV     1
 ASSI {  796}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.29736E-02 ppm1      7.793 ppm2      7.680 CV     1
 ASSI {  798}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.300     0.700     0.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.57219E-02 ppm1      7.706 ppm2      7.581 CV     1
 ASSI {  799}
   (( segid "    " and resid 62   and name HE1 ))
   (  segid "    " and resid 14   and name HE% )
      3.600     1.600     1.600 peak   799 spectrum    1 weight  0.10000E+01 volume  0.14853E-02 ppm1      8.187 ppm2      7.267 CV     1
 ASSI {  801}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HZ  ))
      2.000     0.500     0.500 peak   801 spectrum    1 weight  0.10000E+01 volume  0.22857E-01 ppm1      7.263 ppm2      7.118 CV     1
 ASSI {  802}
   (( segid "    " and resid 62   and name HE1 ))
   (  segid "    " and resid 14   and name HD% )
      2.900     1.100     1.100 peak   802 spectrum    1 weight  0.10000E+01 volume  0.20666E-02 ppm1      8.187 ppm2      7.105 CV     1
 ASSI {  803}
   (( segid "    " and resid 27   and name HZ  ))
   (  segid "    " and resid 27   and name HE% )
      2.400     0.700     0.700 peak   803 spectrum    1 weight  0.10000E+01 volume  0.81569E-02 ppm1      7.178 ppm2      7.083 CV     1
 ASSI {  804}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.33479E-02 ppm1      7.294 ppm2      7.064 CV     1
 ASSI {  805}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HZ3 ))
      2.500     0.800     0.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.42002E-02 ppm1      7.525 ppm2      7.029 CV     1
 ASSI {  808}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 41   and name HH2 ))
      2.300     0.600     0.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.66352E-02 ppm1      7.445 ppm2      6.951 CV     1
 ASSI {  809}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 41   and name HH2 ))
      2.800     2.800     3.200 peak   809 spectrum    1 weight  0.10000E+01 volume  0.90395E-02 ppm1      7.294 ppm2      6.935 CV     1
 ASSI {  810}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 41   and name HH2 ))
      2.500     0.800     0.800 peak   810 spectrum    1 weight  0.10000E+01 volume  0.40480E-02 ppm1      7.216 ppm2      6.943 CV     1
 ASSI {  811}
   (( segid "    " and resid 24   and name HD21))
   (( segid "    " and resid 24   and name HD22))
      1.800     0.400     0.400 peak   811 spectrum    1 weight  0.10000E+01 volume  0.20727E-01 ppm1      7.536 ppm2      6.923 CV     1
 ASSI {  812}
   (( segid "    " and resid 55   and name HE21))
   (( segid "    " and resid 55   and name HE22))
      1.900     0.500     0.500 peak   812 spectrum    1 weight  0.10000E+01 volume  0.11870E-01 ppm1      7.545 ppm2      6.893 CV     1
 ASSI {  813}
   (( segid "    " and resid 9    and name HZ  ))
   (  segid "    " and resid 9    and name HE% )
      1.900     0.400     0.400 peak   813 spectrum    1 weight  0.10000E+01 volume  0.23405E-01 ppm1      6.979 ppm2      6.902 CV     1
 ASSI {  814}
   (( segid "    " and resid 27   and name HZ  ))
   (  segid "    " and resid 27   and name HD% )
      3.800     1.800     1.800 peak   814 spectrum    1 weight  0.10000E+01 volume  0.16831E-02 ppm1      7.179 ppm2      6.888 CV     1
 ASSI {  815}
   (  segid "    " and resid 27   and name HE% )
   (  segid "    " and resid 27   and name HD% )
      2.100     0.500     0.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.14518E-01 ppm1      7.078 ppm2      6.885 CV     1
 ASSI {  817}
   (  segid "    " and resid 18   and name HD% )
   (  segid "    " and resid 18   and name HE% )
      2.200     0.600     0.600 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12022E-01 ppm1      7.165 ppm2      6.798 CV     1
 ASSI {  819}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 63   and name HZ  ))
      2.300     0.700     0.700 peak   819 spectrum    1 weight  0.10000E+01 volume  0.56610E-02 ppm1      6.943 ppm2      6.720 CV     1
 ASSI {  820}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HZ  ))
      3.800     1.800     1.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.11627E-02 ppm1      7.295 ppm2      6.712 CV     1
 ASSI {  821}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 83   and name HE22))
      1.800     0.400     0.400 peak   821 spectrum    1 weight  0.10000E+01 volume  0.14274E-01 ppm1      7.711 ppm2      6.687 CV     1
 ASSI {  822}
   (( segid "    " and resid 9    and name HZ  ))
   (  segid "    " and resid 9    and name HD% )
      3.600     1.600     1.600 peak   822 spectrum    1 weight  0.10000E+01 volume  0.17744E-02 ppm1      6.980 ppm2      6.655 CV     1
 ASSI {  823}
   (( segid "    " and resid 62   and name HE1 ))
   (  segid "    " and resid 9    and name HD% )
      3.300     1.300     1.300 peak   823 spectrum    1 weight  0.10000E+01 volume  0.13878E-02 ppm1      8.187 ppm2      6.652 CV     1
 ASSI {  825}
   (  segid "    " and resid 9    and name HE% )
   (  segid "    " and resid 9    and name HD% )
      2.200     0.600     0.600 peak   825 spectrum    1 weight  0.10000E+01 volume  0.87657E-02 ppm1      6.895 ppm2      6.652 CV     1
 ASSI {  827}
   (  segid "    " and resid 63   and name HD% )
   (  segid "    " and resid 28   and name HE% )
      2.900     1.100     1.100 peak   827 spectrum    1 weight  0.10000E+01 volume  0.26053E-02 ppm1      7.292 ppm2      6.490 CV     1
 ASSI {  828}
   (  segid "    " and resid 28   and name HD% )
   (  segid "    " and resid 28   and name HE% )
      2.200     0.600     0.600 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10135E-01 ppm1      7.217 ppm2      6.490 CV     1
 ASSI {  833}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.31957E-02 ppm1      8.891 ppm2      8.614 CV     1
 ASSI {  835}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   835 spectrum    1 weight  0.10000E+01 volume  0.37740E-02 ppm1      8.609 ppm2      8.372 CV     1
 ASSI {  841}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.17227E-02 ppm1     10.085 ppm2      9.897 CV     1
 ASSI {  844}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak   844 spectrum    1 weight  0.10000E+01 volume  0.57219E-03 ppm1      8.564 ppm2      8.126 CV     1
 ASSI {  845}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.500     2.500     1.500 peak   845 spectrum    1 weight  0.10000E+01 volume  0.32870E-03 ppm1      8.608 ppm2      7.871 CV     1
 ASSI {  846}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.200     2.200     3.800 peak   846 spectrum    1 weight  0.10000E+01 volume  0.33784E-01 ppm1      8.560 ppm2      6.960 CV     1
 ASSI {  848}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 28   and name HE% )
      4.700     2.700     1.300 peak   848 spectrum    1 weight  0.10000E+01 volume  0.41393E-03 ppm1      7.996 ppm2      6.490 CV     1
 ASSI {  849}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 83   and name HE22))
      3.600     1.600     1.600 peak   849 spectrum    1 weight  0.10000E+01 volume  0.93436E-03 ppm1      7.951 ppm2      6.690 CV     1
 ASSI {  851}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      4.600     2.600     1.400 peak   851 spectrum    1 weight  0.10000E+01 volume  0.31653E-03 ppm1      8.069 ppm2      7.605 CV     1
 ASSI {  852}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      8.139 ppm2      7.579 CV     1
 ASSI {  853}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     3.500     2.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.38653E-03 ppm1      8.187 ppm2      7.561 CV     1
 ASSI {  854}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.500     2.600     1.500 peak   854 spectrum    1 weight  0.10000E+01 volume  0.32566E-03 ppm1      8.064 ppm2      7.535 CV     1
 ASSI {  855}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 83   and name HE22))
      3.100     1.200     1.200 peak   855 spectrum    1 weight  0.10000E+01 volume  0.12448E-02 ppm1      7.295 ppm2      6.678 CV     1
 ASSI {  856}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 63   and name HZ  ))
      3.900     1.900     1.900 peak   856 spectrum    1 weight  0.10000E+01 volume  0.49914E-03 ppm1      7.217 ppm2      6.720 CV     1
 ASSI {  857}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 63   and name HZ  ))
      3.500     1.500     1.500 peak   857 spectrum    1 weight  0.10000E+01 volume  0.10622E-02 ppm1      7.021 ppm2      6.720 CV     1
 ASSI {  858}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      5.100     3.300     0.900 peak   858 spectrum    1 weight  0.10000E+01 volume  0.31045E-03 ppm1      9.333 ppm2      8.821 CV     1
 ASSI {  859}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB3 ))
      4.400     2.400     1.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.43219E-03 ppm1      7.359 ppm2      2.081 CV     1
 ASSI {  861}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
      4.800     2.900     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.33175E-03 ppm1      9.894 ppm2      0.996 CV     1
 ASSI {  862}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.000     2.000     2.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.65437E-03 ppm1      8.829 ppm2      0.959 CV     1
 ASSI {  865}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 77   and name HA  ))
      2.400     0.700     0.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      3.402 ppm2      5.039 CV     1
 ASSI {  867}
   (( segid "    " and resid 76   and name HD3 ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak   867 spectrum    1 weight  0.10000E+01 volume  0.27423E-02 ppm1      3.710 ppm2      4.833 CV     1
 ASSI {  871}
   (( segid "    " and resid 90   and name HD3 ))
   (( segid "    " and resid 89   and name HA  ))
      3.000     1.200     1.200 peak   871 spectrum    1 weight  0.10000E+01 volume  0.89175E-03 ppm1      3.683 ppm2      4.739 CV     1
 ASSI {  878}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.24805E-02 ppm1      3.296 ppm2      4.566 CV     1
 ASSI {  884}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.600     1.600     1.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.48393E-03 ppm1      4.235 ppm2      4.370 CV     1
 ASSI {  885}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      1.800     0.400     0.400 peak   885 spectrum    1 weight  0.10000E+01 volume  0.12326E-01 ppm1      3.321 ppm2      4.360 CV     1
 ASSI {  887}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      4.100     2.100     1.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.67869E-03 ppm1      4.135 ppm2      4.309 CV     1
 ASSI {  888}
   (( segid "    " and resid 71   and name HA2 ))
   (( segid "    " and resid 71   and name HA1 ))
      1.800     0.400     0.400 peak   888 spectrum    1 weight  0.10000E+01 volume  0.12144E-01 ppm1      3.885 ppm2      4.306 CV     1
 ASSI {  890}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   890 spectrum    1 weight  0.10000E+01 volume  0.32262E-02 ppm1      3.317 ppm2      4.236 CV     1
 ASSI {  892}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      2.800     1.000     1.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.17836E-02 ppm1      3.032 ppm2      5.086 CV     1
 ASSI {  893}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.41393E-02 ppm1      2.934 ppm2      5.028 CV     1
 ASSI {  898}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
      2.400     0.700     0.700 peak   898 spectrum    1 weight  0.10000E+01 volume  0.42610E-02 ppm1      2.537 ppm2      4.944 CV     1
 ASSI {  899}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HA  ))
      2.300     0.700     0.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.60263E-02 ppm1      2.820 ppm2      4.932 CV     1
 ASSI {  903}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HA  ))
      4.200     2.200     1.800 peak   903 spectrum    1 weight  0.10000E+01 volume  0.63307E-03 ppm1      2.968 ppm2      4.835 CV     1
 ASSI {  905}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.20757E-03 ppm1      3.179 ppm2      4.730 CV     1
 OR {  905}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  906}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak   906 spectrum    1 weight  0.10000E+01 volume  0.68482E-02 ppm1      2.657 ppm2      4.724 CV     1
 ASSI {  907}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      3.100     1.200     1.200 peak   907 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      2.843 ppm2      4.651 CV     1
 ASSI {  908}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   908 spectrum    1 weight  0.10000E+01 volume  0.27088E-02 ppm1      3.113 ppm2      4.623 CV     1
 ASSI {  909}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     1.200     1.200 peak   909 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      3.165 ppm2      4.598 CV     1
 ASSI {  911}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.27423E-02 ppm1      2.802 ppm2      4.596 CV     1
 ASSI {  912}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 23   and name HA  ))
      4.000     2.000     2.000 peak   912 spectrum    1 weight  0.10000E+01 volume  0.57219E-03 ppm1      2.815 ppm2      4.478 CV     1
 OR {  912}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  914}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      4.000     2.000     2.000 peak   914 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      2.635 ppm2      4.371 CV     1
 ASSI {  917}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.35610E-02 ppm1      2.802 ppm2      4.314 CV     1
 ASSI {  926}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.800     0.800 peak   926 spectrum    1 weight  0.10000E+01 volume  0.14731E-02 ppm1      2.396 ppm2      4.131 CV     1
 ASSI {  927}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 52   and name HA  ))
      3.200     3.200     2.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.15431E-02 ppm1      2.966 ppm2      4.066 CV     1
 ASSI {  932}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HA1 ))
      2.000     0.500     0.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.67262E-02 ppm1      3.919 ppm2      4.084 CV     1
 ASSI {  933}
   (( segid "    " and resid 20   and name HA2 ))
   (( segid "    " and resid 20   and name HA1 ))
      1.800     0.400     0.400 peak   933 spectrum    1 weight  0.10000E+01 volume  0.19327E-01 ppm1      3.872 ppm2      4.066 CV     1
 ASSI {  935}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.700     0.700 peak   935 spectrum    1 weight  0.10000E+01 volume  0.55697E-02 ppm1      3.325 ppm2      4.050 CV     1
 ASSI {  937}
   (( segid "    " and resid 76   and name HD3 ))
   (( segid "    " and resid 76   and name HD2 ))
      1.800     0.400     0.400 peak   937 spectrum    1 weight  0.10000E+01 volume  0.83700E-02 ppm1      3.712 ppm2      3.925 CV     1
 ASSI {  938}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HD2 ))
      3.600     1.600     1.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.11779E-02 ppm1      3.805 ppm2      3.920 CV     1
 ASSI {  941}
   (( segid "    " and resid 89   and name HD3 ))
   (( segid "    " and resid 89   and name HD2 ))
      1.800     0.400     0.400 peak   941 spectrum    1 weight  0.10000E+01 volume  0.13118E-01 ppm1      3.622 ppm2      3.830 CV     1
 ASSI {  942}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   942 spectrum    1 weight  0.10000E+01 volume  0.37132E-02 ppm1      3.111 ppm2      3.966 CV     1
 ASSI {  943}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     3.300     2.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.22553E-02 ppm1      2.946 ppm2      3.855 CV     1
 ASSI {  944}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      1.600     0.300     0.600 peak   944 spectrum    1 weight  0.10000E+01 volume  0.24835E-01 ppm1      3.143 ppm2      3.599 CV     1
 ASSI {  945}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     2.700     3.300 peak   945 spectrum    1 weight  0.10000E+01 volume  0.17379E-01 ppm1      3.101 ppm2      3.490 CV     1
 ASSI {  946}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HB2 ))
      1.800     0.400     0.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.10561E-01 ppm1      3.031 ppm2      3.490 CV     1
 ASSI {  947}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.000     0.500     0.500 peak   947 spectrum    1 weight  0.10000E+01 volume  0.80349E-02 ppm1      3.111 ppm2      3.397 CV     1
 ASSI {  948}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 5    and name HB  ))
      3.100     1.200     1.200 peak   948 spectrum    1 weight  0.10000E+01 volume  0.24409E-02 ppm1      2.835 ppm2      3.398 CV     1
 ASSI {  949}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HD2 ))
      3.400     3.400     2.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.26175E-02 ppm1      3.025 ppm2      3.231 CV     1
 OR {  949}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HD3 ))
 ASSI {  952}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 77   and name HA  ))
      4.400     2.400     1.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.98917E-03 ppm1      1.729 ppm2      5.035 CV     1
 ASSI {  953}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 77   and name HA  ))
      4.200     2.200     1.800 peak   953 spectrum    1 weight  0.10000E+01 volume  0.28457E-03 ppm1      1.442 ppm2      5.035 CV     1
 OR {  953}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  954}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
      4.400     2.400     1.600 peak   954 spectrum    1 weight  0.10000E+01 volume  0.97090E-03 ppm1      2.151 ppm2      5.025 CV     1
 OR {  954}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  958}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 72   and name HA  ))
      3.900     1.900     1.900 peak   958 spectrum    1 weight  0.10000E+01 volume  0.20636E-02 ppm1      1.535 ppm2      4.928 CV     1
 OR {  958}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 72   and name HA  ))
 ASSI {  959}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 75   and name HA  ))
      5.400     3.700     0.600 peak   959 spectrum    1 weight  0.10000E+01 volume  0.39262E-03 ppm1      2.345 ppm2      4.834 CV     1
 ASSI {  961}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak   961 spectrum    1 weight  0.10000E+01 volume  0.24592E-02 ppm1      2.094 ppm2      4.835 CV     1
 ASSI {  962}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.200     1.200 peak   962 spectrum    1 weight  0.10000E+01 volume  0.87354E-03 ppm1      1.588 ppm2      4.833 CV     1
 ASSI {  964}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.11809E-02 ppm1      2.057 ppm2      4.811 CV     1
 ASSI {  965}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.23131E-02 ppm1      2.215 ppm2      4.724 CV     1
 ASSI {  969}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      4.600     2.600     1.400 peak   969 spectrum    1 weight  0.10000E+01 volume  0.38958E-03 ppm1      1.472 ppm2      4.732 CV     1
 OR {  969}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 34   and name HA  ))
 ASSI {  970}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 88   and name HA  ))
      4.800     2.800     1.200 peak   970 spectrum    1 weight  0.10000E+01 volume  0.88264E-03 ppm1      2.088 ppm2      4.655 CV     1
 OR {  970}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 88   and name HA  ))
 ASSI {  972}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.20027E-02 ppm1      1.637 ppm2      4.658 CV     1
 ASSI {  973}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak   973 spectrum    1 weight  0.10000E+01 volume  0.28488E-02 ppm1      1.519 ppm2      4.659 CV     1
 ASSI {  974}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.500     1.500 peak   974 spectrum    1 weight  0.10000E+01 volume  0.94656E-03 ppm1      1.479 ppm2      4.611 CV     1
 OR {  974}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  975}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 48   and name HB  ))
      4.600     2.600     1.400 peak   975 spectrum    1 weight  0.10000E+01 volume  0.54784E-03 ppm1      2.343 ppm2      4.606 CV     1
 OR {  975}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  975}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
 OR {  975}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  980}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HA  ))
      2.500     0.800     0.800 peak   980 spectrum    1 weight  0.10000E+01 volume  0.50219E-02 ppm1      1.777 ppm2      4.598 CV     1
 ASSI {  981}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   981 spectrum    1 weight  0.10000E+01 volume  0.57828E-02 ppm1      1.632 ppm2      4.568 CV     1
 OR {  981}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  982}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HA  ))
      2.400     0.700     0.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.77004E-02 ppm1      1.868 ppm2      4.530 CV     1
 OR {  982}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  983}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.200     1.200 peak   983 spectrum    1 weight  0.10000E+01 volume  0.17866E-02 ppm1      1.523 ppm2      4.532 CV     1
 ASSI {  984}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak   984 spectrum    1 weight  0.10000E+01 volume  0.24531E-02 ppm1      1.470 ppm2      4.529 CV     1
 ASSI {  988}
   (( segid "    " and resid 21   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   988 spectrum    1 weight  0.10000E+01 volume  0.21305E-02 ppm1      1.613 ppm2      4.498 CV     1
 ASSI {  989}
   (( segid "    " and resid 86   and name HG12))
   (( segid "    " and resid 86   and name HA  ))
      3.400     1.500     1.500 peak   989 spectrum    1 weight  0.10000E+01 volume  0.85527E-03 ppm1      1.419 ppm2      4.492 CV     1
 ASSI {  991}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HA  ))
      4.200     2.200     1.800 peak   991 spectrum    1 weight  0.10000E+01 volume  0.58133E-03 ppm1      2.047 ppm2      4.428 CV     1
 OR {  991}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HA  ))
 ASSI {  994}
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      3.200     1.300     1.300 peak   994 spectrum    1 weight  0.10000E+01 volume  0.28944E-02 ppm1      2.308 ppm2      4.429 CV     1
 ASSI {  996}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      5.800     4.200     0.200 peak   996 spectrum    1 weight  0.10000E+01 volume  0.94353E-04 ppm1      1.286 ppm2      5.023 CV     1
 ASSI {  998}
   (  segid "    " and resid 80   and name HG1%)
   (( segid "    " and resid 77   and name HA  ))
      3.700     1.700     1.700 peak   998 spectrum    1 weight  0.10000E+01 volume  0.23283E-02 ppm1      0.886 ppm2      5.026 CV     1
 ASSI { 1002}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.75784E-03 ppm1      1.177 ppm2      4.834 CV     1
 ASSI { 1005}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 81   and name HA  ))
      4.300     2.300     1.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.76391E-03 ppm1      0.849 ppm2      4.658 CV     1
 ASSI { 1006}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      0.771 ppm2      4.611 CV     1
 OR { 1006}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 1008}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.200     0.600     0.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13757E-01 ppm1      1.169 ppm2      4.604 CV     1
 OR { 1008}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
 ASSI { 1010}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      0.942 ppm2      4.602 CV     1
 ASSI { 1011}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      4.200     2.200     1.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.31653E-03 ppm1      0.915 ppm2      4.597 CV     1
 ASSI { 1012}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 8    and name HA1 ))
      3.000     1.100     1.100 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.29310E-02 ppm1      1.061 ppm2      4.580 CV     1
 ASSI { 1013}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.42914E-02 ppm1      1.184 ppm2      4.500 CV     1
 ASSI { 1017}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      4.200     2.200     1.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.58133E-03 ppm1      1.289 ppm2      4.340 CV     1
 ASSI { 1019}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.43219E-02 ppm1      1.383 ppm2      4.313 CV     1
 ASSI { 1020}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 71   and name HA1 ))
      2.800     1.000     1.000 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.15126E-02 ppm1      1.141 ppm2      4.308 CV     1
 ASSI { 1021}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.33479E-02 ppm1      1.066 ppm2      4.299 CV     1
 ASSI { 1022}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.18931E-02 ppm1      0.985 ppm2      4.296 CV     1
 ASSI { 1025}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.57219E-02 ppm1      0.944 ppm2      4.289 CV     1
 ASSI { 1028}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      0.851 ppm2      4.226 CV     1
 ASSI { 1030}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.75481E-02 ppm1      1.382 ppm2      4.196 CV     1
 ASSI { 1031}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.63002E-02 ppm1      1.143 ppm2      4.194 CV     1
 ASSI { 1032}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.800     0.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.61784E-02 ppm1      0.973 ppm2      4.167 CV     1
 OR { 1032}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1033}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.14487E-01 ppm1      1.497 ppm2      4.145 CV     1
 ASSI { 1034}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.900     0.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.14913E-01 ppm1      1.397 ppm2      4.135 CV     1
 ASSI { 1041}
   (( segid "    " and resid 73   and name HG13))
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.500     0.500 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.80045E-02 ppm1      1.245 ppm2      4.062 CV     1
 ASSI { 1042}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.500     0.800     0.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.33784E-02 ppm1      1.182 ppm2      4.055 CV     1
 ASSI { 1045}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.82783E-02 ppm1      0.961 ppm2      4.055 CV     1
 ASSI { 1046}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      2.100     0.500     0.500 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.15796E-01 ppm1      0.919 ppm2      4.063 CV     1
 ASSI { 1049}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.23405E-02 ppm1      0.770 ppm2      3.997 CV     1
 ASSI { 1053}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.600     0.600 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.36827E-02 ppm1      1.212 ppm2      3.906 CV     1
 ASSI { 1054}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      2.500     0.800     0.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.43827E-02 ppm1      0.877 ppm2      3.905 CV     1
 ASSI { 1056}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 83   and name HA  ))
      2.300     0.600     0.600 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.40480E-02 ppm1      0.961 ppm2      3.894 CV     1
 ASSI { 1059}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.500     1.500 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.26570E-02 ppm1      1.011 ppm2      3.850 CV     1
 ASSI { 1060}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.38349E-02 ppm1      0.927 ppm2      3.852 CV     1
 ASSI { 1062}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 89   and name HD2 ))
      3.100     1.200     1.200 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.21731E-02 ppm1      0.892 ppm2      3.842 CV     1
 OR { 1062}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 89   and name HD2 ))
 ASSI { 1067}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
      2.400     0.700     0.700 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.84913E-02 ppm1      1.894 ppm2      4.324 CV     1
 ASSI { 1070}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HA  ))
      2.600     0.800     0.800 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.69392E-02 ppm1      2.274 ppm2      4.288 CV     1
 ASSI { 1071}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.71523E-02 ppm1      2.091 ppm2      4.284 CV     1
 ASSI { 1072}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     2.700     3.300 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.58133E-02 ppm1      2.213 ppm2      4.277 CV     1
 ASSI { 1074}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      2.500     0.800     0.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      1.828 ppm2      4.211 CV     1
 ASSI { 1076}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.43219E-02 ppm1      2.268 ppm2      4.199 CV     1
 ASSI { 1077}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.10561E-01 ppm1      1.906 ppm2      4.168 CV     1
 ASSI { 1078}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.900     0.900 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.36523E-02 ppm1      2.124 ppm2      4.157 CV     1
 ASSI { 1082}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.27149E-02 ppm1      1.640 ppm2      4.137 CV     1
 OR { 1082}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1086}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.600     0.900     0.900 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.76391E-02 ppm1      2.012 ppm2      4.053 CV     1
 ASSI { 1088}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.700     0.700 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.11657E-01 ppm1      1.763 ppm2      4.052 CV     1
 OR { 1088}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1091}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
      2.800     1.000     1.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.29888E-02 ppm1      2.456 ppm2      3.996 CV     1
 ASSI { 1096}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HA  ))
      2.100     0.500     0.500 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.13970E-01 ppm1      1.862 ppm2      3.971 CV     1
 ASSI { 1097}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HD2 ))
      2.500     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      1.731 ppm2      3.956 CV     1
 ASSI { 1098}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HD2 ))
      3.600     1.600     1.600 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      2.509 ppm2      3.929 CV     1
 ASSI { 1107}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HD2 ))
      2.600     0.800     0.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.40175E-02 ppm1      1.992 ppm2      3.840 CV     1
 OR { 1107}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HD2 ))
 ASSI { 1109}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.35610E-02 ppm1      2.507 ppm2      3.802 CV     1
 ASSI { 1110}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HA  ))
      4.000     2.000     2.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.11231E-02 ppm1      2.343 ppm2      3.802 CV     1
 ASSI { 1111}
   (( segid "    " and resid 76   and name HB3 ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.38653E-02 ppm1      2.223 ppm2      3.802 CV     1
 OR { 1111}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1114}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.27209E-02 ppm1      0.051 ppm2      3.854 CV     1
 ASSI { 1116}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 8    and name HA2 ))
      2.800     1.000     1.000 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.19205E-02 ppm1      0.987 ppm2      3.618 CV     1
 ASSI { 1118}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 34   and name HD3 ))
      3.500     1.600     1.600 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.25444E-02 ppm1      1.018 ppm2      3.548 CV     1
 ASSI { 1123}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 40   and name HD2 ))
      6.000     4.800     0.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.23953E-04 ppm1      0.912 ppm2      3.329 CV     1
 ASSI { 1127}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 25   and name HD2 ))
      3.300     1.400     1.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.13301E-02 ppm1      0.143 ppm2      3.126 CV     1
 ASSI { 1129}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.11900E-02 ppm1      0.486 ppm2      3.105 CV     1
 ASSI { 1130}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 38   and name HD3 ))
      3.000     1.100     1.100 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.18718E-02 ppm1      0.995 ppm2      2.986 CV     1
 ASSI { 1131}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 25   and name HD3 ))
      3.100     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.12083E-02 ppm1      0.142 ppm2      2.981 CV     1
 ASSI { 1134}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 81   and name HB2 ))
      4.000     2.000     2.000 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.16405E-02 ppm1      0.485 ppm2      2.551 CV     1
 ASSI { 1136}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HB  ))
      3.400     1.400     1.400 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.28823E-02 ppm1      1.041 ppm2      2.483 CV     1
 ASSI { 1138}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HB  ))
      2.400     0.700     0.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.66048E-02 ppm1      0.943 ppm2      2.441 CV     1
 ASSI { 1140}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HD2 ))
      2.100     0.600     0.600 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.43219E-02 ppm1      0.790 ppm2      2.402 CV     1
 ASSI { 1141}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.700     0.900     0.900 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.31045E-02 ppm1      0.878 ppm2      2.400 CV     1
 ASSI { 1142}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 49   and name HG3 ))
      3.200     1.300     1.300 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.17348E-02 ppm1      0.771 ppm2      2.344 CV     1
 OR { 1142}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 49   and name HG2 ))
 ASSI { 1143}
   (( segid "    " and resid 75   and name HB  ))
   (( segid "    " and resid 76   and name HD3 ))
      3.100     1.200     1.200 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      2.093 ppm2      3.710 CV     1
 ASSI { 1144}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HD3 ))
      2.900     1.000     1.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.21122E-02 ppm1      2.049 ppm2      3.682 CV     1
 OR { 1144}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HD3 ))
 ASSI { 1145}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HD3 ))
      2.700     0.900     0.900 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.37436E-02 ppm1      1.985 ppm2      3.671 CV     1
 OR { 1145}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 4    and name HD3 ))
 ASSI { 1146}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HD3 ))
      3.000     1.100     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      1.831 ppm2      3.659 CV     1
 ASSI { 1147}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.100     0.500     0.500 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.79438E-02 ppm1      1.912 ppm2      3.652 CV     1
 ASSI { 1149}
   (( segid "    " and resid 37   and name HG  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.500     1.500     1.500 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.29553E-02 ppm1      1.367 ppm2      3.653 CV     1
 ASSI { 1151}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 89   and name HD3 ))
      3.800     1.800     1.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.21731E-02 ppm1      1.519 ppm2      3.622 CV     1
 ASSI { 1155}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.22309E-02 ppm1      1.831 ppm2      3.489 CV     1
 ASSI { 1156}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.200     1.200 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.21701E-02 ppm1      1.498 ppm2      3.489 CV     1
 ASSI { 1158}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.23557E-02 ppm1      1.325 ppm2      3.489 CV     1
 ASSI { 1159}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HD3 ))
      2.600     0.900     0.900 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.22188E-02 ppm1      1.493 ppm2      3.404 CV     1
 ASSI { 1160}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HD3 ))
      3.200     1.300     1.300 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.20483E-02 ppm1      1.732 ppm2      3.403 CV     1
 ASSI { 1161}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HD3 ))
      3.000     1.100     1.100 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.23070E-02 ppm1      2.118 ppm2      3.388 CV     1
 OR { 1161}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HD2 ))
 ASSI { 1165}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.000     0.500     0.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.61784E-02 ppm1      1.841 ppm2      3.329 CV     1
 ASSI { 1166}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.700     0.900     0.900 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.13118E-01 ppm1      1.741 ppm2      3.318 CV     1
 ASSI { 1167}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HD2 ))
      2.500     0.800     0.800 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.41697E-02 ppm1      1.636 ppm2      3.327 CV     1
 OR { 1167}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 1170}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HD3 ))
      2.300     0.700     0.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.89788E-02 ppm1      1.778 ppm2      3.226 CV     1
 OR { 1170}
   (( segid "    " and resid 29   and name HG2 ))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 1172}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HD2 ))
      2.300     2.300     3.700 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.44132E-02 ppm1      1.327 ppm2      3.203 CV     1
 ASSI { 1175}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
      1.800     0.400     0.400 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.13635E-01 ppm1      1.860 ppm2      3.116 CV     1
 ASSI { 1178}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD3 ))
      2.300     0.700     0.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.79438E-02 ppm1      1.464 ppm2      3.080 CV     1
 OR { 1178}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
 OR { 1178}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD3 ))
 OR { 1178}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 1179}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 69   and name HE2 ))
      2.400     0.700     0.700 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.85527E-02 ppm1      1.693 ppm2      3.065 CV     1
 OR { 1179}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HE2 ))
 ASSI { 1182}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HD3 ))
      1.900     1.900     4.100 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.10987E-01 ppm1      1.389 ppm2      2.998 CV     1
 ASSI { 1183}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HD3 ))
      4.500     2.600     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.16861E-03 ppm1      1.818 ppm2      2.995 CV     1
 ASSI { 1186}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 57   and name HD2 ))
      1.800     0.400     0.400 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.93739E-02 ppm1      2.757 ppm2      3.301 CV     1
 ASSI { 1187}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.800     0.400     0.400 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.13635E-01 ppm1      2.692 ppm2      3.184 CV     1
 ASSI { 1188}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      1.700     0.400     0.500 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.18809E-01 ppm1      2.802 ppm2      3.163 CV     1
 ASSI { 1189}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HB2 ))
      1.800     0.400     0.400 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.10805E-01 ppm1      2.396 ppm2      3.166 CV     1
 ASSI { 1192}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HB2 ))
      1.700     0.400     0.500 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.12935E-01 ppm1      2.407 ppm2      2.949 CV     1
 ASSI { 1195}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HB2 ))
      1.900     0.400     0.400 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.13331E-01 ppm1      2.632 ppm2      2.909 CV     1
 ASSI { 1196}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HB2 ))
      1.700     0.300     0.500 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.17561E-01 ppm1      2.495 ppm2      2.906 CV     1
 ASSI { 1197}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
      1.600     0.300     0.600 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.23192E-01 ppm1      2.570 ppm2      2.842 CV     1
 ASSI { 1198}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.100     1.900 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.45349E-03 ppm1      0.917 ppm2      2.278 CV     1
 ASSI { 1199}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.22797E-02 ppm1      0.875 ppm2      2.263 CV     1
 ASSI { 1200}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      4.200     2.200     1.800 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.78522E-03 ppm1      0.792 ppm2      2.273 CV     1
 ASSI { 1204}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HB  ))
      2.500     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.45349E-02 ppm1      0.916 ppm2      2.127 CV     1
 ASSI { 1205}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 52   and name HB  ))
      3.600     1.600     1.600 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.93739E-03 ppm1      0.629 ppm2      2.129 CV     1
 ASSI { 1207}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HB  ))
      2.300     0.600     0.600 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.56306E-02 ppm1      0.485 ppm2      2.097 CV     1
 ASSI { 1208}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
      2.300     0.600     0.600 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.71220E-02 ppm1      0.781 ppm2      2.048 CV     1
 ASSI { 1211}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HB  ))
      2.300     0.700     0.700 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.74570E-02 ppm1      0.850 ppm2      2.040 CV     1
 ASSI { 1212}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.58133E-02 ppm1      0.721 ppm2      2.032 CV     1
 OR { 1212}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HD2 ))
 ASSI { 1213}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.200     0.600     0.600 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.49914E-02 ppm1      0.981 ppm2      2.023 CV     1
 OR { 1213}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1214}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.29979E-02 ppm1      1.016 ppm2      2.018 CV     1
 ASSI { 1217}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HB  ))
      2.200     0.600     0.600 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.94959E-02 ppm1      0.918 ppm2      1.919 CV     1
 ASSI { 1221}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
      2.500     0.800     0.800 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.10257E-01 ppm1      1.017 ppm2      1.908 CV     1
 ASSI { 1222}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
      2.300     0.700     0.700 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.10257E-01 ppm1      0.972 ppm2      1.907 CV     1
 OR { 1222}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB  ))
 ASSI { 1223}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HB3 ))
      3.300     1.400     1.400 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.11413E-02 ppm1      0.487 ppm2      1.907 CV     1
 ASSI { 1226}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HD3 ))
      2.400     0.700     0.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.29949E-02 ppm1      0.722 ppm2      1.836 CV     1
 ASSI { 1227}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HG  ))
      2.300     0.700     0.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.63611E-02 ppm1      1.061 ppm2      1.808 CV     1
 OR { 1227}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1230}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 56   and name HG  ))
      4.400     2.500     1.600 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.42914E-03 ppm1      0.870 ppm2      1.793 CV     1
 OR { 1230}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1231}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HG2 ))
      4.400     2.400     1.600 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.71826E-03 ppm1      0.487 ppm2      1.735 CV     1
 ASSI { 1234}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HD3 ))
      3.100     1.200     1.200 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.19235E-02 ppm1      1.544 ppm2      2.765 CV     1
 ASSI { 1235}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.700     0.400     0.500 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.14822E-01 ppm1      2.213 ppm2      2.666 CV     1
 ASSI { 1237}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG2 ))
      4.000     2.000     2.000 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.64524E-03 ppm1      2.056 ppm2      2.646 CV     1
 ASSI { 1238}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 27   and name HB3 ))
      2.400     0.700     0.700 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.36523E-02 ppm1      1.692 ppm2      2.582 CV     1
 ASSI { 1240}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HG2 ))
      2.900     1.100     1.100 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.19083E-02 ppm1      2.118 ppm2      2.575 CV     1
 ASSI { 1241}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG3 ))
      3.400     1.400     1.400 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.10805E-02 ppm1      2.027 ppm2      2.572 CV     1
 ASSI { 1244}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.38349E-02 ppm1      2.343 ppm2      2.506 CV     1
 ASSI { 1246}
   (( segid "    " and resid 58   and name HG13))
   (( segid "    " and resid 58   and name HB  ))
      2.700     0.900     0.900 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.25414E-02 ppm1      1.677 ppm2      2.480 CV     1
 ASSI { 1247}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HG2 ))
      1.600     0.300     0.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.23679E-01 ppm1      2.136 ppm2      2.470 CV     1
 ASSI { 1248}
   (( segid "    " and resid 83   and name HB3 ))
   (( segid "    " and resid 83   and name HG2 ))
      2.600     0.800     0.800 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      2.005 ppm2      2.471 CV     1
 ASSI { 1249}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG3 ))
      2.200     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.10622E-01 ppm1      2.324 ppm2      2.457 CV     1
 ASSI { 1250}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.400     0.700     0.700 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.97697E-02 ppm1      2.074 ppm2      2.435 CV     1
 OR { 1250}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HG3 ))
 ASSI { 1253}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HB2 ))
      1.900     0.500     0.500 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.91305E-02 ppm1      1.953 ppm2      2.395 CV     1
 ASSI { 1254}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.300     0.600     0.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.16953E-01 ppm1      2.081 ppm2      2.358 CV     1
 ASSI { 1258}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HB2 ))
      2.000     0.500     0.500 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.20544E-01 ppm1      2.039 ppm2      2.280 CV     1
 OR { 1258}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HB2 ))
 ASSI { 1260}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HB2 ))
      1.700     0.400     0.500 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.21336E-01 ppm1      1.882 ppm2      2.269 CV     1
 ASSI { 1261}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HB2 ))
      1.900     0.400     0.400 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.10805E-01 ppm1      1.836 ppm2      2.262 CV     1
 ASSI { 1264}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG3 ))
      2.000     0.500     0.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.21305E-01 ppm1      1.971 ppm2      2.203 CV     1
 ASSI { 1265}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 87   and name HG3 ))
      2.900     1.000     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.42914E-02 ppm1      1.894 ppm2      2.206 CV     1
 ASSI { 1266}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.600     0.800     0.800 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.98917E-02 ppm1      1.865 ppm2      2.149 CV     1
 ASSI { 1267}
   (( segid "    " and resid 67   and name HB3 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.400     0.700     0.700 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.63915E-02 ppm1      1.750 ppm2      2.150 CV     1
 ASSI { 1269}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
      2.600     0.800     0.800 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.45654E-02 ppm1      1.635 ppm2      2.068 CV     1
 OR { 1269}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1270}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.600     0.300     0.600 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.19448E-01 ppm1      1.185 ppm2      2.016 CV     1
 ASSI { 1281}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.700     0.400     0.500 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.11231E-01 ppm1      1.387 ppm2      1.813 CV     1
 ASSI { 1283}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HD2 ))
      1.800     1.800     4.200 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.34697E-01 ppm1      1.475 ppm2      1.680 CV     1
 OR { 1283}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI { 1284}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HD3 ))
      2.000     0.500     0.500 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.27940E-01 ppm1      1.399 ppm2      1.683 CV     1
 OR { 1284}
   (( segid "    " and resid 82   and name HG3 ))
   (( segid "    " and resid 82   and name HD2 ))
 ASSI { 1289}
   (( segid "    " and resid 84   and name HG13))
   (( segid "    " and resid 84   and name HG12))
      1.600     0.300     0.600 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.17866E-01 ppm1      1.083 ppm2      1.552 CV     1
 ASSI { 1290}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 57   and name HB3 ))
      3.300     1.400     1.400 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.15522E-02 ppm1      0.635 ppm2      1.694 CV     1
 ASSI { 1293}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HB3 ))
      2.100     0.600     0.600 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.17348E-01 ppm1      0.906 ppm2      1.659 CV     1
 OR { 1293}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB2 ))
 OR { 1293}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HB2 ))
 OR { 1293}
   (  segid "    " and resid 21   and name HD1%)
   (( segid "    " and resid 21   and name HB3 ))
 ASSI { 1295}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HB  ))
      2.000     0.500     0.500 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.11231E-01 ppm1      0.831 ppm2      1.639 CV     1
 ASSI { 1301}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 42   and name HB3 ))
      2.400     0.700     0.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.46567E-02 ppm1      0.630 ppm2      1.491 CV     1
 ASSI { 1307}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HD3 ))
      3.700     1.700     1.700 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.36219E-02 ppm1      0.786 ppm2      1.388 CV     1
 ASSI { 1310}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HG  ))
      2.200     0.600     0.600 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.99524E-02 ppm1      1.017 ppm2      1.384 CV     1
 ASSI { 1311}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HB3 ))
      2.400     0.700     0.700 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.97090E-02 ppm1      0.730 ppm2      1.383 CV     1
 ASSI { 1312}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 47   and name HB3 ))
      3.300     1.300     1.300 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.17561E-02 ppm1      0.628 ppm2      1.357 CV     1
 ASSI { 1313}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HG13))
      2.400     0.700     0.700 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.59958E-02 ppm1      0.974 ppm2      1.310 CV     1
 OR { 1313}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HG13))
 ASSI { 1314}
   (( segid "    " and resid 84   and name HG13))
   (  segid "    " and resid 43   and name HG2%)
      3.100     1.200     1.200 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.67565E-02 ppm1      1.093 ppm2      1.290 CV     1
 ASSI { 1315}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.700     0.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.55697E-02 ppm1      1.039 ppm2      1.256 CV     1
 ASSI { 1318}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HG13))
      2.300     0.700     0.700 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.54176E-02 ppm1      0.844 ppm2      1.216 CV     1
 ASSI { 1319}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.300     0.700     0.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      0.716 ppm2      1.175 CV     1
 ASSI { 1322}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HG2 ))
      1.800     0.400     0.400 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.12570E-01 ppm1      0.746 ppm2      1.101 CV     1
 ASSI { 1324}
   (  segid "    " and resid 42   and name HD2%)
   (  segid "    " and resid 52   and name HG1%)
      2.400     0.700     0.700 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.56002E-02 ppm1      0.631 ppm2      0.992 CV     1
 ASSI { 1325}
   (  segid "    " and resid 42   and name HD1%)
   (  segid "    " and resid 52   and name HG1%)
      1.600     0.300     0.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.11078E+00 ppm1      0.775 ppm2      0.991 CV     1
 ASSI { 1326}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HG2 ))
      1.700     0.300     0.500 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.12205E-01 ppm1      0.721 ppm2      0.986 CV     1
 ASSI { 1327}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 75   and name HG1%)
      2.200     0.600     0.600 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.10470E-01 ppm1      0.486 ppm2      0.964 CV     1
 ASSI { 1328}
   (  segid "    " and resid 42   and name HD2%)
   (  segid "    " and resid 52   and name HG2%)
      2.000     0.500     0.500 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.15522E-01 ppm1      0.632 ppm2      0.921 CV     1
 ASSI { 1331}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      4.900     3.000     1.100 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.62089E-03 ppm1      0.136 ppm2      4.607 CV     1
 ASSI { 1332}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HD3 ))
      3.400     1.500     1.500 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.30375E-02 ppm1      2.509 ppm2      3.714 CV     1
 ASSI { 1333}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HD3 ))
      2.900     1.000     1.000 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.36219E-02 ppm1      2.345 ppm2      3.714 CV     1
 ASSI { 1335}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HD3 ))
      3.900     1.900     1.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.17074E-02 ppm1      2.393 ppm2      3.690 CV     1
 ASSI { 1339}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB3 ))
      2.600     0.800     0.800 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.68482E-02 ppm1      6.893 ppm2      2.636 CV     1
 ASSI { 1340}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.900     1.000     1.000 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.22584E-02 ppm1      2.890 ppm2      5.034 CV     1
 ASSI { 1342}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 28   and name HA  ))
      4.600     2.600     1.400 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.71826E-03 ppm1      1.630 ppm2      5.079 CV     1
 OR { 1342}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI { 1343}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
      4.100     2.100     1.900 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.11992E-02 ppm1      0.847 ppm2      4.491 CV     1
 ASSI { 1348}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.23101E-02 ppm1      3.149 ppm2      4.378 CV     1
 ASSI { 1349}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 66   and name HA1 ))
      3.100     3.100     2.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.19205E-02 ppm1      3.892 ppm2      4.082 CV     1
 ASSI { 1350}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.12326E-02 ppm1      3.390 ppm2      4.362 CV     1
 OR { 1350}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1351}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.11718E-01 ppm1      3.225 ppm2      4.310 CV     1
 OR { 1351}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1358}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HD3 ))
      4.800     2.900     1.200 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.86437E-03 ppm1      0.485 ppm2      3.715 CV     1
 ASSI { 1359}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 89   and name HD3 ))
      4.000     2.000     2.000 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      0.886 ppm2      3.630 CV     1
 ASSI { 1360}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 76   and name HD3 ))
      3.700     1.700     1.700 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.14366E-02 ppm1      0.960 ppm2      3.719 CV     1
 ASSI { 1361}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 34   and name HD2 ))
      2.600     0.800     0.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.35306E-02 ppm1      1.019 ppm2      3.652 CV     1
 ASSI { 1362}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 41   and name HB3 ))
      3.700     3.700     2.300 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.25870E-02 ppm1      1.180 ppm2      3.104 CV     1
 ASSI { 1363}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 40   and name HD2 ))
      4.000     2.000     2.000 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.50523E-03 ppm1      1.297 ppm2      3.322 CV     1
 OR { 1363}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 40   and name HD3 ))
 ASSI { 1366}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HD2 ))
      2.600     0.900     0.900 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.37436E-02 ppm1      2.001 ppm2      3.326 CV     1
 OR { 1366}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HD3 ))
 ASSI { 1367}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     2.800     3.200 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.58741E-02 ppm1      2.857 ppm2      3.104 CV     1
 ASSI { 1372}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HE2 ))
      3.300     1.400     1.400 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.17135E-02 ppm1      1.373 ppm2      2.796 CV     1
 OR { 1372}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HE3 ))
 ASSI { 1373}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HD3 ))
      4.000     2.000     2.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.43219E-03 ppm1      1.284 ppm2      2.993 CV     1
 ASSI { 1374}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HD2 ))
      2.400     0.700     0.700 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.93132E-02 ppm1      1.662 ppm2      3.180 CV     1
 OR { 1374}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HD3 ))
 ASSI { 1376}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.900     1.900     1.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.11870E-02 ppm1      0.051 ppm2      1.369 CV     1
 ASSI { 1378}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.89175E-03 ppm1      0.721 ppm2      4.055 CV     1
 ASSI { 1379}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      5.300     3.600     0.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.42306E-03 ppm1      0.630 ppm2      4.053 CV     1
 ASSI { 1380}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.24531E-03 ppm1      0.682 ppm2      3.855 CV     1
 ASSI { 1381}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.12844E-02 ppm1      1.015 ppm2      4.197 CV     1
 ASSI { 1383}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.67869E-03 ppm1      0.485 ppm2      4.829 CV     1
 ASSI { 1384}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      3.000     1.100     1.100 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.23557E-02 ppm1      5.344 ppm2      1.922 CV     1
 ASSI { 1393}
   (( segid "    " and resid 62   and name HD1 ))
   (  segid "    " and resid 75   and name HG2%)
      4.700     2.800     1.300 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.25079E-03 ppm1     10.216 ppm2      0.489 CV     1
 ASSI { 1394}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 76   and name HB2 ))
      5.100     3.200     0.900 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.27332E-03 ppm1     10.215 ppm2      2.510 CV     1
 ASSI { 1395}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.23161E-02 ppm1     10.215 ppm2      3.802 CV     1
 ASSI { 1396}
   (( segid "    " and resid 62   and name HD1 ))
   (  segid "    " and resid 9    and name HD% )
      4.300     2.400     1.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.28671E-03 ppm1     10.214 ppm2      6.652 CV     1
 ASSI { 1397}
   (( segid "    " and resid 62   and name HD1 ))
   (  segid "    " and resid 9    and name HE% )
      4.500     2.500     1.500 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.29705E-03 ppm1     10.216 ppm2      6.896 CV     1
 ASSI { 1399}
   (( segid "    " and resid 62   and name HD1 ))
   (  segid "    " and resid 14   and name HE% )
      3.500     1.500     1.500 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.79742E-03 ppm1     10.215 ppm2      7.268 CV     1
 ASSI { 1400}
   (( segid "    " and resid 62   and name HD1 ))
   (( segid "    " and resid 14   and name HZ  ))
      5.200     3.400     0.800 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.17227E-03 ppm1     10.216 ppm2      7.132 CV     1
 ASSI {    1}
   (( segid "    " and resid 87   and name HA  ))
   (( segid "    " and resid 87   and name HB2 ))
      2.400     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.86391E-02 ppm1      4.315 ppm2      1.960 CV     1
 ASSI {    2}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.100     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.12165E-01 ppm1      4.300 ppm2      1.812 CV     1
 ASSI {    3}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.500     0.800     0.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.69933E-02 ppm1      4.292 ppm2      1.668 CV     1
 ASSI {    5}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.35791E-02 ppm1      4.932 ppm2      5.060 CV     1
 ASSI {    8}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      3.500     1.500     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.17690E-02 ppm1      4.929 ppm2      1.901 CV     1
 ASSI {   10}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
      2.300     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.95210E-02 ppm1      4.119 ppm2      1.728 CV     1
 OR {   10}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {   11}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
      2.800     1.000     1.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.27211E-02 ppm1      4.117 ppm2      1.461 CV     1
 ASSI {   12}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.600     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.36085E-02 ppm1      3.846 ppm2      2.937 CV     1
 ASSI {   13}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      3.400     3.400     2.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.50484E-02 ppm1      3.847 ppm2      0.706 CV     1
 ASSI {   15}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 78   and name HD3 ))
      2.600     0.800     0.800 peak    15 spectrum    1 weight  0.10000E+01 volume  0.30443E-02 ppm1      3.969 ppm2      3.410 CV     1
 ASSI {   20}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 57   and name HA  ))
      2.800     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.28621E-02 ppm1      4.564 ppm2      5.349 CV     1
 ASSI {   22}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.200     1.300     1.300 peak    22 spectrum    1 weight  0.10000E+01 volume  0.14340E-02 ppm1      4.566 ppm2      1.895 CV     1
 ASSI {   26}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.700     0.900     0.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.35556E-02 ppm1      5.052 ppm2      1.899 CV     1
 ASSI {   27}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
      2.600     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.29855E-02 ppm1      5.050 ppm2      1.635 CV     1
 ASSI {   32}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      3.400     1.400     1.400 peak    32 spectrum    1 weight  0.10000E+01 volume  0.13458E-02 ppm1      4.138 ppm2      1.291 CV     1
 ASSI {   33}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.39787E-02 ppm1      4.597 ppm2      2.142 CV     1
 ASSI {   34}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.68759E-02 ppm1      4.596 ppm2      1.850 CV     1
 ASSI {   36}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.300     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.95797E-02 ppm1      4.497 ppm2      1.663 CV     1
 OR {   36}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
 ASSI {   37}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD1%)
      3.000     1.100     1.100 peak    37 spectrum    1 weight  0.10000E+01 volume  0.58006E-02 ppm1      4.495 ppm2      0.889 CV     1
 OR {   37}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HD2%)
 ASSI {   40}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.23919E-02 ppm1      4.657 ppm2      2.223 CV     1
 ASSI {   41}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.48955E-02 ppm1      4.301 ppm2      2.977 CV     1
 ASSI {   43}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.200     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.23097E-02 ppm1      4.469 ppm2      2.943 CV     1
 ASSI {   44}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.700     0.900     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.35674E-02 ppm1      4.466 ppm2      2.544 CV     1
 ASSI {   46}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
      2.900     1.100     1.100 peak    46 spectrum    1 weight  0.10000E+01 volume  0.31031E-02 ppm1      5.352 ppm2      3.298 CV     1
 ASSI {   49}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.500     0.800     0.800 peak    49 spectrum    1 weight  0.10000E+01 volume  0.41374E-02 ppm1      5.350 ppm2      1.701 CV     1
 ASSI {   50}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HA  ))
      2.200     0.600     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.53657E-02 ppm1      4.211 ppm2      4.722 CV     1
 ASSI {   51}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD2 ))
      3.400     1.400     1.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.22509E-02 ppm1      4.212 ppm2      3.186 CV     1
 OR {   51}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HD3 ))
 ASSI {   53}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.800     0.900     0.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.29502E-02 ppm1      4.207 ppm2      1.668 CV     1
 ASSI {   54}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG3 ))
      3.000     1.100     1.100 peak    54 spectrum    1 weight  0.10000E+01 volume  0.21334E-02 ppm1      4.207 ppm2      1.470 CV     1
 OR {   54}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG2 ))
 ASSI {   59}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.25682E-02 ppm1      4.653 ppm2      0.890 CV     1
 ASSI {   60}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HB% )
      2.200     0.600     0.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.11636E-01 ppm1      3.905 ppm2      0.138 CV     1
 ASSI {   63}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HD3 ))
      1.900     0.400     0.400 peak    63 spectrum    1 weight  0.10000E+01 volume  0.91094E-02 ppm1      3.961 ppm2      3.410 CV     1
 ASSI {   65}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HG3 ))
      3.400     1.400     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.16750E-02 ppm1      3.964 ppm2      1.498 CV     1
 ASSI {   66}
   (( segid "    " and resid 78   and name HD2 ))
   (  segid "    " and resid 75   and name HG2%)
      4.100     2.100     1.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.11166E-02 ppm1      3.969 ppm2      0.488 CV     1
 ASSI {   70}
   (( segid "    " and resid 78   and name HD3 ))
   (  segid "    " and resid 75   and name HG2%)
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.22039E-02 ppm1      3.406 ppm2      0.488 CV     1
 ASSI {   72}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HD2 ))
      2.300     0.700     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.71114E-02 ppm1      5.043 ppm2      3.962 CV     1
 ASSI {   75}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.600     0.800     0.800 peak    75 spectrum    1 weight  0.10000E+01 volume  0.32030E-02 ppm1      5.044 ppm2      2.508 CV     1
 ASSI {   76}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.10344E-01 ppm1      3.834 ppm2      4.790 CV     1
 ASSI {   77}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.100     1.200     1.200 peak    77 spectrum    1 weight  0.10000E+01 volume  0.44724E-02 ppm1      3.824 ppm2      2.272 CV     1
 ASSI {   78}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 90   and name HG2 ))
      2.100     0.500     0.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.17925E-01 ppm1      3.829 ppm2      2.054 CV     1
 OR {   78}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 90   and name HG3 ))
 ASSI {   79}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak    79 spectrum    1 weight  0.10000E+01 volume  0.69933E-02 ppm1      3.670 ppm2      4.805 CV     1
 ASSI {   82}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.700     0.900     0.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.44783E-02 ppm1      3.921 ppm2      4.830 CV     1
 ASSI {   83}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 76   and name HG2 ))
      3.800     1.800     1.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.18865E-03 ppm1      3.918 ppm2      2.344 CV     1
 ASSI {   85}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 75   and name HB  ))
      2.500     0.800     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.14634E-02 ppm1      3.917 ppm2      2.091 CV     1
 ASSI {   86}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.100     0.600     0.600 peak    86 spectrum    1 weight  0.10000E+01 volume  0.11284E-01 ppm1      3.827 ppm2      4.668 CV     1
 ASSI {   88}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 88   and name HB3 ))
      3.800     1.800     1.800 peak    88 spectrum    1 weight  0.10000E+01 volume  0.16926E-02 ppm1      3.831 ppm2      1.513 CV     1
 ASSI {   89}
   (( segid "    " and resid 89   and name HD3 ))
   (( segid "    " and resid 88   and name HA  ))
      2.200     0.600     0.600 peak    89 spectrum    1 weight  0.10000E+01 volume  0.86391E-02 ppm1      3.619 ppm2      4.659 CV     1
 ASSI {   92}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 37   and name HB3 ))
      2.600     0.900     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      3.664 ppm2      1.346 CV     1
 ASSI {   95}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 37   and name HB2 ))
      4.100     2.100     1.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.18512E-02 ppm1      3.540 ppm2      1.923 CV     1
 ASSI {   96}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HG3 ))
      2.500     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.30149E-02 ppm1      3.540 ppm2      1.776 CV     1
 ASSI {   99}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.40552E-02 ppm1      3.320 ppm2      3.864 CV     1
 ASSI {  101}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HG2%)
      2.600     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.65823E-02 ppm1      4.217 ppm2      1.291 CV     1
 ASSI {  103}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.27975E-02 ppm1      4.135 ppm2      3.592 CV     1
 ASSI {  104}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB3 ))
      2.600     0.800     0.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.30031E-02 ppm1      4.130 ppm2      3.124 CV     1
 ASSI {  107}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.300     0.700     0.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.51130E-02 ppm1      4.129 ppm2      0.797 CV     1
 ASSI {  110}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     3.100     2.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.24331E-02 ppm1      4.060 ppm2      4.596 CV     1
 ASSI {  112}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.67585E-02 ppm1      4.427 ppm2      2.275 CV     1
 ASSI {  113}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB3 ))
      3.000     1.200     1.200 peak   113 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      4.432 ppm2      1.843 CV     1
 ASSI {  115}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB  ))
      2.600     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.56949E-02 ppm1      4.228 ppm2      2.035 CV     1
 ASSI {  116}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 80   and name HG1%)
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.76991E-02 ppm1      4.229 ppm2      0.869 CV     1
 ASSI {  119}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.22685E-02 ppm1      4.382 ppm2      3.607 CV     1
 ASSI {  126}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.700     0.900     0.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.44430E-02 ppm1      3.928 ppm2      3.394 CV     1
 ASSI {  127}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.700     0.900     0.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.42785E-02 ppm1      3.922 ppm2      0.641 CV     1
 ASSI {  128}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.83456E-02 ppm1      3.101 ppm2      1.229 CV     1
 OR {  128}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  129}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.200     0.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.14399E-01 ppm1      4.255 ppm2      3.984 CV     1
 OR {  129}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  130}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG12))
      2.900     1.100     1.100 peak   130 spectrum    1 weight  0.10000E+01 volume  0.29679E-02 ppm1      4.299 ppm2      1.565 CV     1
 ASSI {  131}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG13))
      3.200     1.200     1.200 peak   131 spectrum    1 weight  0.10000E+01 volume  0.10461E-02 ppm1      4.294 ppm2      1.088 CV     1
 ASSI {  134}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.700     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.43431E-02 ppm1      3.487 ppm2      1.378 CV     1
 ASSI {  135}
   (( segid "    " and resid 38   and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      3.500     1.500     1.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.12165E-02 ppm1      3.486 ppm2      0.943 CV     1
 ASSI {  137}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB  ))
      2.600     0.900     0.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.39494E-02 ppm1      3.863 ppm2      2.056 CV     1
 ASSI {  138}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 10   and name HD3 ))
      2.600     0.900     0.900 peak   138 spectrum    1 weight  0.10000E+01 volume  0.33675E-02 ppm1      3.858 ppm2      1.846 CV     1
 ASSI {  139}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 10   and name HG3 ))
      3.400     1.400     1.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.17807E-02 ppm1      3.862 ppm2      1.636 CV     1
 OR {  139}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  141}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.44606E-02 ppm1      4.334 ppm2      3.195 CV     1
 ASSI {  142}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.700     0.900     0.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.36262E-02 ppm1      4.332 ppm2      2.700 CV     1
 ASSI {  143}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      2.300     0.700     0.700 peak   143 spectrum    1 weight  0.10000E+01 volume  0.69346E-02 ppm1      3.867 ppm2      0.789 CV     1
 ASSI {  146}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.500     0.800     0.800 peak   146 spectrum    1 weight  0.10000E+01 volume  0.66411E-02 ppm1      4.415 ppm2      3.924 CV     1
 OR {  146}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  147}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.39259E-02 ppm1      4.610 ppm2      1.165 CV     1
 ASSI {  151}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.300     0.700     0.700 peak   151 spectrum    1 weight  0.10000E+01 volume  0.65823E-02 ppm1      3.991 ppm2      2.313 CV     1
 ASSI {  152}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.800     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.40434E-02 ppm1      3.993 ppm2      2.131 CV     1
 ASSI {  153}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.900     1.900     1.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.23684E-02 ppm1      4.002 ppm2      1.478 CV     1
 ASSI {  155}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.300     1.400     1.400 peak   155 spectrum    1 weight  0.10000E+01 volume  0.18924E-02 ppm1      4.950 ppm2      2.852 CV     1
 ASSI {  157}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.37143E-02 ppm1      3.963 ppm2      2.274 CV     1
 OR {  157}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG3 ))
 ASSI {  158}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.200     0.600     0.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.16632E-01 ppm1      3.958 ppm2      1.959 CV     1
 OR {  158}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HB3 ))
 ASSI {  160}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.200     0.600     0.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.78165E-02 ppm1      4.055 ppm2      1.381 CV     1
 ASSI {  161}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD1%)
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.51071E-02 ppm1      4.049 ppm2      0.987 CV     1
 ASSI {  162}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.300     0.600     0.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.49896E-02 ppm1      3.909 ppm2      1.487 CV     1
 ASSI {  165}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      2.400     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.58006E-02 ppm1      3.909 ppm2      0.636 CV     1
 ASSI {  166}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.43666E-02 ppm1      4.361 ppm2      2.126 CV     1
 ASSI {  167}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.900     1.100     1.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22039E-02 ppm1      4.350 ppm2      2.014 CV     1
 ASSI {  168}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG2 ))
      3.100     1.200     1.200 peak   168 spectrum    1 weight  0.10000E+01 volume  0.26446E-02 ppm1      4.359 ppm2      1.880 CV     1
 OR {  168}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HG3 ))
 ASSI {  170}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HD2 ))
      2.400     0.700     0.700 peak   170 spectrum    1 weight  0.10000E+01 volume  0.40434E-02 ppm1      3.849 ppm2      2.046 CV     1
 ASSI {  171}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HD3 ))
      2.200     0.600     0.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.70527E-02 ppm1      3.849 ppm2      1.835 CV     1
 ASSI {  172}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HG13))
      2.600     0.800     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.38553E-02 ppm1      3.848 ppm2      1.515 CV     1
 ASSI {  175}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HD2 ))
      2.600     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.33911E-02 ppm1      4.120 ppm2      3.195 CV     1
 ASSI {  176}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 30   and name HB  ))
      2.800     2.800     3.200 peak   176 spectrum    1 weight  0.10000E+01 volume  0.57242E-02 ppm1      4.124 ppm2      1.795 CV     1
 ASSI {  177}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     1.000     1.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.83456E-02 ppm1      4.123 ppm2      1.389 CV     1
 ASSI {  178}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HG2 ))
      2.900     1.000     1.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.23097E-02 ppm1      3.928 ppm2      2.356 CV     1
 ASSI {  181}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      3.000     1.200     1.200 peak   181 spectrum    1 weight  0.10000E+01 volume  0.16867E-02 ppm1      5.369 ppm2      2.484 CV     1
 ASSI {  182}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.32970E-02 ppm1      5.367 ppm2      1.258 CV     1
 ASSI {  183}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.44842E-02 ppm1      5.366 ppm2      1.047 CV     1
 ASSI {  188}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.600     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.50954E-02 ppm1      4.193 ppm2      1.443 CV     1
 OR {  188}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  189}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.700     0.900     0.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.35850E-02 ppm1      4.295 ppm2      1.495 CV     1
 ASSI {  191}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak   191 spectrum    1 weight  0.10000E+01 volume  0.34968E-02 ppm1      3.790 ppm2      1.564 CV     1
 ASSI {  192}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.300     1.400     1.400 peak   192 spectrum    1 weight  0.10000E+01 volume  0.11931E-02 ppm1      3.788 ppm2      1.475 CV     1
 ASSI {  193}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG3 ))
      2.600     0.900     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.36731E-02 ppm1      3.789 ppm2      1.311 CV     1
 ASSI {  198}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.300     0.700     0.700 peak   198 spectrum    1 weight  0.10000E+01 volume  0.11519E-01 ppm1      4.261 ppm2      2.218 CV     1
 ASSI {  199}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.300     0.700     0.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.11460E-01 ppm1      4.237 ppm2      2.016 CV     1
 ASSI {  200}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
      2.100     0.600     0.600 peak   200 spectrum    1 weight  0.10000E+01 volume  0.49367E-02 ppm1      4.061 ppm2      2.402 CV     1
 ASSI {  204}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HG2 ))
      3.300     1.300     1.300 peak   204 spectrum    1 weight  0.10000E+01 volume  0.13929E-02 ppm1      3.869 ppm2      2.468 CV     1
 ASSI {  205}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.300     0.600     0.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.49191E-02 ppm1      3.870 ppm2      2.163 CV     1
 ASSI {  206}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB3 ))
      3.200     1.300     1.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.14105E-02 ppm1      3.868 ppm2      1.999 CV     1
 ASSI {  212}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.56713E-02 ppm1      4.047 ppm2      1.290 CV     1
 ASSI {  213}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.300     0.700     0.700 peak   213 spectrum    1 weight  0.10000E+01 volume  0.93442E-02 ppm1      4.588 ppm2      1.167 CV     1
 ASSI {  214}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.27975E-02 ppm1      3.399 ppm2      4.616 CV     1
 ASSI {  216}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.900     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.41962E-02 ppm1      4.093 ppm2      4.481 CV     1
 ASSI {  217}
   (( segid "    " and resid 6    and name HB  ))
   (  segid "    " and resid 6    and name HG2%)
      2.400     0.700     0.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.89333E-02 ppm1      4.092 ppm2      1.155 CV     1
 ASSI {  220}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
      2.400     0.700     0.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.79340E-02 ppm1      4.567 ppm2      1.185 CV     1
 ASSI {  222}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      2.400     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.72288E-02 ppm1      3.395 ppm2      0.644 CV     1
 ASSI {  224}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 80   and name HG2%)
      3.600     1.600     1.600 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10226E-02 ppm1      4.209 ppm2      0.858 CV     1
 ASSI {  226}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      1.800     0.400     0.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.98732E-02 ppm1      3.588 ppm2      3.124 CV     1
 ASSI {  227}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 30   and name HG2%)
      2.900     1.100     1.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.34204E-02 ppm1      3.590 ppm2      0.926 CV     1
 ASSI {  230}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 41   and name HH2 ))
      3.400     1.500     1.500 peak   230 spectrum    1 weight  0.10000E+01 volume  0.21275E-02 ppm1      1.255 ppm2      6.939 CV     1
 ASSI {  233}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
      2.700     0.900     0.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.24860E-02 ppm1      1.264 ppm2      3.134 CV     1
 ASSI {  234}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.600     0.600 peak   234 spectrum    1 weight  0.10000E+01 volume  0.61708E-02 ppm1      1.260 ppm2      2.480 CV     1
 ASSI {  236}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG13))
      2.600     0.800     0.800 peak   236 spectrum    1 weight  0.10000E+01 volume  0.28915E-02 ppm1      1.259 ppm2      1.685 CV     1
 ASSI {  238}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 74   and name HG3 ))
      2.700     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.50308E-02 ppm1      1.260 ppm2      0.885 CV     1
 ASSI {  242}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 74   and name HD2 ))
      3.700     1.700     1.700 peak   242 spectrum    1 weight  0.10000E+01 volume  0.10990E-02 ppm1      1.500 ppm2      2.405 CV     1
 ASSI {  243}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.72875E-02 ppm1      0.923 ppm2      4.491 CV     1
 ASSI {  244}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.800     0.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.47369E-02 ppm1      0.894 ppm2      4.299 CV     1
 ASSI {  246}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 84   and name HB  ))
      2.000     0.500     0.500 peak   246 spectrum    1 weight  0.10000E+01 volume  0.11402E-01 ppm1      0.894 ppm2      1.605 CV     1
 ASSI {  247}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HB  ))
      2.200     0.600     0.600 peak   247 spectrum    1 weight  0.10000E+01 volume  0.99320E-02 ppm1      0.971 ppm2      1.903 CV     1
 ASSI {  252}
   (  segid "    " and resid 61   and name HB% )
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak   252 spectrum    1 weight  0.10000E+01 volume  0.24096E-02 ppm1      0.137 ppm2      3.168 CV     1
 ASSI {  255}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.500     0.800     0.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.46311E-02 ppm1      0.489 ppm2      4.801 CV     1
 ASSI {  256}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HD2 ))
      3.700     1.700     1.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.24155E-02 ppm1      0.490 ppm2      3.898 CV     1
 ASSI {  266}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HG12))
      2.300     0.700     0.700 peak   266 spectrum    1 weight  0.10000E+01 volume  0.53128E-02 ppm1      0.787 ppm2      1.918 CV     1
 ASSI {  268}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HG13))
      3.400     1.500     1.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.23802E-02 ppm1      0.785 ppm2      1.224 CV     1
 ASSI {  270}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB  ))
      2.900     1.100     1.100 peak   270 spectrum    1 weight  0.10000E+01 volume  0.59358E-02 ppm1      0.988 ppm2      1.911 CV     1
 ASSI {  271}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HG12))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.35967E-02 ppm1      0.990 ppm2      1.479 CV     1
 ASSI {  272}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HG13))
      2.600     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.43372E-02 ppm1      0.987 ppm2      1.290 CV     1
 ASSI {  274}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HB  ))
      2.500     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.63472E-02 ppm1      1.016 ppm2      1.820 CV     1
 ASSI {  275}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
      2.500     0.800     0.800 peak   275 spectrum    1 weight  0.10000E+01 volume  0.49308E-02 ppm1      1.016 ppm2      1.665 CV     1
 ASSI {  276}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG13))
      2.600     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.35967E-02 ppm1      1.021 ppm2      1.512 CV     1
 ASSI {  277}
   (  segid "    " and resid 30   and name HD1%)
   (  segid "    " and resid 42   and name HD2%)
      3.400     1.400     1.400 peak   277 spectrum    1 weight  0.10000E+01 volume  0.23978E-02 ppm1      1.026 ppm2      0.635 CV     1
 ASSI {  279}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HG13))
      2.200     0.600     0.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.82281E-02 ppm1      0.829 ppm2      1.078 CV     1
 ASSI {  283}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG12))
      2.400     0.700     0.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.53481E-02 ppm1      1.047 ppm2      1.879 CV     1
 ASSI {  284}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG13))
      2.400     0.700     0.700 peak   284 spectrum    1 weight  0.10000E+01 volume  0.51424E-02 ppm1      1.050 ppm2      1.678 CV     1
 ASSI {  287}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB  ))
      2.500     0.800     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.46840E-02 ppm1      0.853 ppm2      1.916 CV     1
 ASSI {  288}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 31   and name HB3 ))
      1.800     1.800     4.200 peak   288 spectrum    1 weight  0.10000E+01 volume  0.17161E-01 ppm1      0.850 ppm2      1.187 CV     1
 ASSI {  289}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.47075E-02 ppm1      1.842 ppm2      4.051 CV     1
 ASSI {  291}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 65   and name HA2 ))
      1.900     0.500     0.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.13165E-01 ppm1      4.169 ppm2      3.768 CV     1
 ASSI {  293}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HA2 ))
      1.900     0.400     0.400 peak   293 spectrum    1 weight  0.10000E+01 volume  0.11460E-01 ppm1      4.569 ppm2      3.610 CV     1
 ASSI {  297}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.400     0.700     0.700 peak   297 spectrum    1 weight  0.10000E+01 volume  0.56772E-02 ppm1      3.129 ppm2      1.322 CV     1
 ASSI {  300}
   (( segid "    " and resid 15   and name HD3 ))
   (( segid "    " and resid 15   and name HB3 ))
      2.600     0.800     0.800 peak   300 spectrum    1 weight  0.10000E+01 volume  0.71114E-02 ppm1      3.385 ppm2      2.018 CV     1
 OR {  300}
   (( segid "    " and resid 15   and name HD2 ))
   (( segid "    " and resid 15   and name HB3 ))
 ASSI {  302}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HA  ))
      4.300     2.300     1.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.97558E-03 ppm1      3.069 ppm2      4.193 CV     1
 OR {  302}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  303}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB3 ))
      2.800     1.000     1.000 peak   303 spectrum    1 weight  0.10000E+01 volume  0.33675E-02 ppm1      3.074 ppm2      1.681 CV     1
 OR {  303}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  303}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HB3 ))
 OR {  303}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  305}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 29   and name HA  ))
      2.100     0.600     0.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.15633E-01 ppm1      3.245 ppm2      4.566 CV     1
 OR {  305}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 29   and name HA  ))
 ASSI {  306}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HD3 ))
      1.600     0.300     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.17748E-01 ppm1      3.236 ppm2      2.974 CV     1
 ASSI {  307}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.500     0.800     0.800 peak   307 spectrum    1 weight  0.10000E+01 volume  0.68759E-02 ppm1      3.223 ppm2      1.872 CV     1
 OR {  307}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI {  312}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.000     1.100     1.100 peak   312 spectrum    1 weight  0.10000E+01 volume  0.32970E-02 ppm1      2.938 ppm2      4.932 CV     1
 ASSI {  313}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB3 ))
      1.900     0.400     0.400 peak   313 spectrum    1 weight  0.10000E+01 volume  0.11225E-01 ppm1      2.934 ppm2      2.804 CV     1
 ASSI {  315}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.300     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.99320E-02 ppm1      3.177 ppm2      1.477 CV     1
 OR {  315}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG3 ))
 OR {  315}
   (( segid "    " and resid 33   and name HD2 ))
   (( segid "    " and resid 33   and name HG2 ))
 OR {  315}
   (( segid "    " and resid 33   and name HD3 ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI {  316}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.33969E-02 ppm1      3.232 ppm2      4.830 CV     1
 ASSI {  317}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.76991E-02 ppm1      2.961 ppm2      1.919 CV     1
 ASSI {  319}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.700     0.900     0.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.44313E-02 ppm1      2.761 ppm2      1.689 CV     1
 ASSI {  321}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HG3 ))
      4.200     2.200     1.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.26270E-03 ppm1      2.993 ppm2      1.425 CV     1
 OR {  321}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HG3 ))
 ASSI {  324}
   (( segid "    " and resid 85   and name HE3 ))
   (( segid "    " and resid 85   and name HD3 ))
      2.700     0.900     0.900 peak   324 spectrum    1 weight  0.10000E+01 volume  0.38906E-02 ppm1      2.897 ppm2      1.665 CV     1
 OR {  324}
   (( segid "    " and resid 85   and name HE3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  325}
   (( segid "    " and resid 85   and name HE3 ))
   (( segid "    " and resid 85   and name HG3 ))
      3.300     1.300     1.300 peak   325 spectrum    1 weight  0.10000E+01 volume  0.13282E-02 ppm1      2.895 ppm2      1.259 CV     1
 ASSI {  327}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 69   and name HB3 ))
      3.700     1.800     1.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.14692E-02 ppm1      3.059 ppm2      1.869 CV     1
 OR {  327}
   (( segid "    " and resid 69   and name HE2 ))
   (( segid "    " and resid 69   and name HB2 ))
 ASSI {  329}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.54362E-02 ppm1      3.326 ppm2      4.347 CV     1
 OR {  329}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  331}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.19923E-02 ppm1      3.326 ppm2      2.280 CV     1
 OR {  331}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HB2 ))
 ASSI {  332}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 40   and name HG3 ))
      2.600     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      3.325 ppm2      1.888 CV     1
 OR {  332}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 40   and name HG3 ))
 ASSI {  335}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.000     1.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.41492E-02 ppm1      3.493 ppm2      5.084 CV     1
 ASSI {  339}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB3 ))
      1.800     0.400     0.400 peak   339 spectrum    1 weight  0.10000E+01 volume  0.21334E-01 ppm1      2.945 ppm2      2.544 CV     1
 ASSI {  340}
   (( segid "    " and resid 68   and name HE2 ))
   (( segid "    " and resid 68   and name HE3 ))
      1.700     0.400     0.500 peak   340 spectrum    1 weight  0.10000E+01 volume  0.13811E-01 ppm1      2.687 ppm2      2.151 CV     1
 ASSI {  341}
   (( segid "    " and resid 68   and name HE2 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.800     1.000     1.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.22156E-02 ppm1      2.681 ppm2      1.366 CV     1
 ASSI {  342}
   (( segid "    " and resid 68   and name HE2 ))
   (( segid "    " and resid 68   and name HD3 ))
      2.500     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.22156E-02 ppm1      2.681 ppm2      0.360 CV     1
 ASSI {  344}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
      1.600     0.300     0.600 peak   344 spectrum    1 weight  0.10000E+01 volume  0.24037E-01 ppm1      1.814 ppm2      1.662 CV     1
 ASSI {  345}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD2%)
      2.600     0.800     0.800 peak   345 spectrum    1 weight  0.10000E+01 volume  0.82281E-02 ppm1      1.816 ppm2      0.990 CV     1
 ASSI {  348}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   348 spectrum    1 weight  0.10000E+01 volume  0.15104E-02 ppm1      1.929 ppm2      4.192 CV     1
 ASSI {  350}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HB3 ))
      1.700     0.300     0.500 peak   350 spectrum    1 weight  0.10000E+01 volume  0.11636E-01 ppm1      1.925 ppm2      1.348 CV     1
 ASSI {  351}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 37   and name HD1%)
      2.600     0.900     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.19688E-02 ppm1      1.922 ppm2      1.149 CV     1
 ASSI {  353}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   353 spectrum    1 weight  0.10000E+01 volume  0.23743E-02 ppm1      1.341 ppm2      4.194 CV     1
 ASSI {  354}
   (( segid "    " and resid 37   and name HB3 ))
   (  segid "    " and resid 37   and name HD1%)
      3.300     1.400     1.400 peak   354 spectrum    1 weight  0.10000E+01 volume  0.35380E-02 ppm1      1.343 ppm2      1.153 CV     1
 ASSI {  355}
   (( segid "    " and resid 37   and name HB3 ))
   (  segid "    " and resid 37   and name HD2%)
      2.500     0.800     0.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.34792E-02 ppm1      1.343 ppm2      1.017 CV     1
 ASSI {  356}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
      2.600     0.900     0.900 peak   356 spectrum    1 weight  0.10000E+01 volume  0.35438E-02 ppm1      2.538 ppm2      4.651 CV     1
 ASSI {  357}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HB3 ))
      1.800     0.400     0.400 peak   357 spectrum    1 weight  0.10000E+01 volume  0.14105E-01 ppm1      2.541 ppm2      2.221 CV     1
 ASSI {  360}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 75   and name HG2%)
      3.300     1.300     1.300 peak   360 spectrum    1 weight  0.10000E+01 volume  0.24155E-02 ppm1      2.220 ppm2      0.487 CV     1
 ASSI {  364}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 13   and name HD3 ))
      2.500     2.500     3.500 peak   364 spectrum    1 weight  0.10000E+01 volume  0.23919E-02 ppm1      2.506 ppm2      1.437 CV     1
 OR {  364}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 13   and name HD2 ))
 ASSI {  365}
   (( segid "    " and resid 77   and name HB3 ))
   (  segid "    " and resid 80   and name HG2%)
      3.200     1.200     1.200 peak   365 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      2.500 ppm2      0.855 CV     1
 ASSI {  369}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HB3 ))
      1.600     0.300     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.23978E-01 ppm1      1.639 ppm2      1.519 CV     1
 ASSI {  370}
   (( segid "    " and resid 88   and name HB2 ))
   (  segid "    " and resid 88   and name HD1%)
      2.400     0.700     0.700 peak   370 spectrum    1 weight  0.10000E+01 volume  0.51189E-02 ppm1      1.640 ppm2      0.914 CV     1
 ASSI {  373}
   (( segid "    " and resid 88   and name HB3 ))
   (  segid "    " and resid 88   and name HD1%)
      2.700     0.900     0.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.12636E-01 ppm1      1.524 ppm2      0.909 CV     1
 ASSI {  377}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      2.500     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.79927E-02 ppm1      1.748 ppm2      0.976 CV     1
 OR {  377}
   (( segid "    " and resid 35   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  378}
   (( segid "    " and resid 68   and name HE3 ))
   (( segid "    " and resid 68   and name HG3 ))
      3.600     1.600     1.600 peak   378 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      2.151 ppm2      0.687 CV     1
 ASSI {  379}
   (( segid "    " and resid 68   and name HE3 ))
   (( segid "    " and resid 68   and name HD3 ))
      3.100     1.200     1.200 peak   379 spectrum    1 weight  0.10000E+01 volume  0.15280E-02 ppm1      2.146 ppm2      0.359 CV     1
 ASSI {  380}
   (( segid "    " and resid 68   and name HE3 ))
   (( segid "    " and resid 68   and name HB2 ))
      3.100     1.200     1.200 peak   380 spectrum    1 weight  0.10000E+01 volume  0.37672E-02 ppm1      2.154 ppm2      0.124 CV     1
 ASSI {  381}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.23508E-02 ppm1      1.546 ppm2      4.072 CV     1
 ASSI {  382}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HG13))
      2.600     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      1.533 ppm2      1.248 CV     1
 ASSI {  383}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 73   and name HD1%)
      2.500     0.800     0.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.26153E-02 ppm1      1.544 ppm2      0.870 CV     1
 ASSI {  384}
   (( segid "    " and resid 73   and name HB  ))
   (  segid "    " and resid 84   and name HD1%)
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.92268E-02 ppm1      1.543 ppm2      0.824 CV     1
 ASSI {  385}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak   385 spectrum    1 weight  0.10000E+01 volume  0.42197E-02 ppm1      1.920 ppm2      4.503 CV     1
 ASSI {  386}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HG12))
      2.100     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.18101E-01 ppm1      1.924 ppm2      1.411 CV     1
 ASSI {  387}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HG13))
      2.700     0.900     0.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.23802E-02 ppm1      1.918 ppm2      1.218 CV     1
 ASSI {  395}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.000     2.000     2.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.99320E-03 ppm1      1.998 ppm2      3.984 CV     1
 ASSI {  396}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
      1.700     0.400     0.500 peak   396 spectrum    1 weight  0.10000E+01 volume  0.12577E-01 ppm1      1.992 ppm2      1.477 CV     1
 ASSI {  398}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name HD2%)
      3.800     1.800     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      1.990 ppm2      0.636 CV     1
 ASSI {  400}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HG  ))
      2.900     1.100     1.100 peak   400 spectrum    1 weight  0.10000E+01 volume  0.28856E-02 ppm1      1.478 ppm2      1.855 CV     1
 ASSI {  401}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 42   and name HD1%)
      2.800     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.33499E-02 ppm1      1.480 ppm2      0.776 CV     1
 ASSI {  403}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD% )
      2.300     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.95210E-02 ppm1      3.188 ppm2      7.108 CV     1
 ASSI {  408}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 84   and name HA  ))
      2.800     1.000     1.000 peak   408 spectrum    1 weight  0.10000E+01 volume  0.20805E-02 ppm1      1.630 ppm2      4.298 CV     1
 ASSI {  409}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 84   and name HG13))
      2.900     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.14105E-02 ppm1      1.628 ppm2      1.095 CV     1
 ASSI {  415}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak   415 spectrum    1 weight  0.10000E+01 volume  0.62296E-02 ppm1      2.812 ppm2      4.776 CV     1
 OR {  415}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  418}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 10   and name HD2 ))
      3.900     1.900     1.900 peak   418 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      2.060 ppm2      3.326 CV     1
 ASSI {  421}
   (( segid "    " and resid 45   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      2.600     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.40434E-02 ppm1      2.053 ppm2      0.870 CV     1
 ASSI {  424}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HB3 ))
      1.800     0.400     0.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.20922E-01 ppm1      2.977 ppm2      2.803 CV     1
 ASSI {  427}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HG12))
      3.000     1.100     1.100 peak   427 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      1.904 ppm2      1.487 CV     1
 ASSI {  428}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 36   and name HG13))
      3.300     1.300     1.300 peak   428 spectrum    1 weight  0.10000E+01 volume  0.10578E-02 ppm1      1.905 ppm2      1.311 CV     1
 ASSI {  430}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     1.300     1.300 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      1.814 ppm2      3.846 CV     1
 ASSI {  431}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HG12))
      3.200     1.200     1.200 peak   431 spectrum    1 weight  0.10000E+01 volume  0.17807E-02 ppm1      1.811 ppm2      1.662 CV     1
 ASSI {  432}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HG13))
      2.900     1.100     1.100 peak   432 spectrum    1 weight  0.10000E+01 volume  0.21040E-02 ppm1      1.813 ppm2      1.522 CV     1
 ASSI {  433}
   (( segid "    " and resid 30   and name HB  ))
   (  segid "    " and resid 30   and name HG2%)
      2.400     0.700     0.700 peak   433 spectrum    1 weight  0.10000E+01 volume  0.57830E-02 ppm1      1.816 ppm2      0.941 CV     1
 ASSI {  436}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HB3 ))
      1.600     0.300     0.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.25095E-01 ppm1      1.903 ppm2      1.639 CV     1
 OR {  436}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  438}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HG3 ))
      3.200     1.300     1.300 peak   438 spectrum    1 weight  0.10000E+01 volume  0.21040E-02 ppm1      1.628 ppm2      1.263 CV     1
 ASSI {  445}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.200     0.600     0.600 peak   445 spectrum    1 weight  0.10000E+01 volume  0.58300E-02 ppm1      2.661 ppm2      2.082 CV     1
 ASSI {  446}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HG3 ))
      3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.22215E-02 ppm1      2.658 ppm2      1.781 CV     1
 ASSI {  448}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HG3 ))
      2.500     0.800     0.800 peak   448 spectrum    1 weight  0.10000E+01 volume  0.28680E-02 ppm1      2.219 ppm2      1.770 CV     1
 ASSI {  449}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 36   and name HD1%)
      4.200     2.200     1.800 peak   449 spectrum    1 weight  0.10000E+01 volume  0.19865E-02 ppm1      2.219 ppm2      0.973 CV     1
 OR {  449}
   (( segid "    " and resid 34   and name HB3 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  452}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.29914E-02 ppm1      1.921 ppm2      4.828 CV     1
 ASSI {  453}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.16867E-02 ppm1      1.358 ppm2      4.828 CV     1
 ASSI {  454}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HA  ))
      3.100     1.200     1.200 peak   454 spectrum    1 weight  0.10000E+01 volume  0.17807E-02 ppm1      2.584 ppm2      3.997 CV     1
 ASSI {  455}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HG3 ))
      1.500     0.300     0.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.42256E-01 ppm1      2.583 ppm2      2.451 CV     1
 ASSI {  456}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.200     0.600     0.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.17572E-01 ppm1      2.582 ppm2      2.323 CV     1
 ASSI {  457}
   (( segid "    " and resid 39   and name HG2 ))
   (  segid "    " and resid 36   and name HG2%)
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.10000E+01 volume  0.48427E-02 ppm1      2.580 ppm2      0.987 CV     1
 OR {  457}
   (( segid "    " and resid 39   and name HG2 ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  458}
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.64059E-02 ppm1      2.437 ppm2      4.597 CV     1
 ASSI {  461}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 53   and name HG1%)
      2.100     0.500     0.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.19570E-01 ppm1      2.437 ppm2      0.969 CV     1
 ASSI {  463}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.200     0.600     0.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.14046E-01 ppm1      1.733 ppm2      1.474 CV     1
 OR {  463}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  465}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.51247E-02 ppm1      2.132 ppm2      4.055 CV     1
 ASSI {  466}
   (( segid "    " and resid 75   and name HB  ))
   (  segid "    " and resid 75   and name HG1%)
      1.900     0.400     0.400 peak   466 spectrum    1 weight  0.10000E+01 volume  0.15398E-01 ppm1      2.124 ppm2      0.965 CV     1
 ASSI {  468}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HG2 ))
      2.300     0.700     0.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.87565E-02 ppm1      1.185 ppm2      0.995 CV     1
 ASSI {  470}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 4    and name HG3 ))
      3.200     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.59358E-02 ppm1      2.634 ppm2      1.985 CV     1
 OR {  470}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  471}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 4    and name HG3 ))
      3.500     1.500     1.500 peak   471 spectrum    1 weight  0.10000E+01 volume  0.51600E-02 ppm1      2.571 ppm2      1.998 CV     1
 OR {  471}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI {  472}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.500     1.500     1.500 peak   472 spectrum    1 weight  0.10000E+01 volume  0.32794E-02 ppm1      1.834 ppm2      4.725 CV     1
 ASSI {  474}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      1.800     0.400     0.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.13106E-01 ppm1      1.829 ppm2      1.665 CV     1
 ASSI {  475}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak   475 spectrum    1 weight  0.10000E+01 volume  0.37496E-02 ppm1      1.663 ppm2      4.727 CV     1
 ASSI {  477}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG2 ))
      2.300     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.95210E-02 ppm1      1.671 ppm2      1.481 CV     1
 OR {  477}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG3 ))
 ASSI {  479}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB3 ))
      1.600     0.300     0.600 peak   479 spectrum    1 weight  0.10000E+01 volume  0.26446E-01 ppm1      1.496 ppm2      1.385 CV     1
 ASSI {  480}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG2 ))
      2.800     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.38201E-02 ppm1      1.494 ppm2      1.106 CV     1
 ASSI {  481}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HG3 ))
      2.900     1.000     1.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.17984E-02 ppm1      1.495 ppm2      0.746 CV     1
 ASSI {  483}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HG2 ))
      2.500     0.800     0.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.41668E-02 ppm1      1.380 ppm2      1.105 CV     1
 ASSI {  485}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 9    and name HE% )
      2.500     0.800     0.800 peak   485 spectrum    1 weight  0.10000E+01 volume  0.31266E-02 ppm1      1.231 ppm2      6.900 CV     1
 OR {  485}
   (( segid "    " and resid 74   and name HB3 ))
   (  segid "    " and resid 9    and name HE% )
 ASSI {  487}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.100     0.600     0.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.92855E-02 ppm1      1.234 ppm2      1.518 CV     1
 OR {  487}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  488}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      1.800     0.400     0.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.12107E-01 ppm1      2.068 ppm2      1.742 CV     1
 ASSI {  489}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak   489 spectrum    1 weight  0.10000E+01 volume  0.14516E-02 ppm1      1.635 ppm2      4.561 CV     1
 ASSI {  490}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HD2 ))
      2.800     1.000     1.000 peak   490 spectrum    1 weight  0.10000E+01 volume  0.48191E-02 ppm1      1.636 ppm2      3.225 CV     1
 OR {  490}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HD3 ))
 ASSI {  491}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.500     0.300     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.43196E-01 ppm1      1.637 ppm2      1.894 CV     1
 ASSI {  492}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak   492 spectrum    1 weight  0.10000E+01 volume  0.31501E-02 ppm1      2.898 ppm2      4.715 CV     1
 ASSI {  494}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     1.000     1.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.33382E-02 ppm1      2.632 ppm2      4.713 CV     1
 ASSI {  495}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 60   and name HB3 ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.25389E-02 ppm1      2.632 ppm2      3.324 CV     1
 ASSI {  497}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HB3 ))
      2.000     0.500     0.500 peak   497 spectrum    1 weight  0.10000E+01 volume  0.89333E-02 ppm1      2.501 ppm2      2.229 CV     1
 OR {  497}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HG3 ))
 ASSI {  498}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.000     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.30443E-02 ppm1      2.391 ppm2      4.735 CV     1
 ASSI {  500}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG3 ))
      2.700     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.34087E-02 ppm1      2.396 ppm2      2.096 CV     1
 OR {  500}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  502}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.100     0.600     0.600 peak   502 spectrum    1 weight  0.10000E+01 volume  0.15221E-01 ppm1      1.684 ppm2      1.469 CV     1
 OR {  502}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
 OR {  502}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  502}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  504}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.300     0.600     0.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.98145E-02 ppm1      1.808 ppm2      1.632 CV     1
 ASSI {  505}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HG2 ))
      2.400     0.700     0.700 peak   505 spectrum    1 weight  0.10000E+01 volume  0.73462E-02 ppm1      1.882 ppm2      1.642 CV     1
 ASSI {  506}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   506 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      2.277 ppm2      4.348 CV     1
 ASSI {  508}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG3 ))
      2.300     0.700     0.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.12342E-01 ppm1      2.071 ppm2      2.331 CV     1
 OR {  508}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI {  509}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB3 ))
      1.600     0.300     0.600 peak   509 spectrum    1 weight  0.10000E+01 volume  0.24507E-01 ppm1      2.071 ppm2      1.927 CV     1
 ASSI {  514}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 13   and name HG3 ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.36379E-02 ppm1      1.432 ppm2      0.746 CV     1
 OR {  514}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HG3 ))
 ASSI {  517}
   (( segid "    " and resid 36   and name HG12))
   (  segid "    " and resid 36   and name HD1%)
      2.200     0.600     0.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.12812E-01 ppm1      1.497 ppm2      0.987 CV     1
 OR {  517}
   (( segid "    " and resid 36   and name HG12))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  523}
   (( segid "    " and resid 68   and name HD3 ))
   (( segid "    " and resid 68   and name HD2 ))
      1.700     0.300     0.500 peak   523 spectrum    1 weight  0.10000E+01 volume  0.95797E-02 ppm1      0.363 ppm2      1.372 CV     1
 ASSI {  534}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HB3 ))
      1.500     0.300     0.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.27328E-01 ppm1      2.323 ppm2      2.134 CV     1
 ASSI {  536}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG3 ))
      2.000     0.500     0.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.21863E-01 ppm1      2.212 ppm2      2.433 CV     1
 OR {  536}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG2 ))
 ASSI {  537}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HB3 ))
      1.600     0.300     0.600 peak   537 spectrum    1 weight  0.10000E+01 volume  0.31971E-01 ppm1      2.211 ppm2      2.080 CV     1
 ASSI {  538}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak   538 spectrum    1 weight  0.10000E+01 volume  0.47545E-02 ppm1      1.876 ppm2      2.496 CV     1
 ASSI {  539}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 58   and name HG13))
      1.600     0.300     0.600 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17396E-01 ppm1      1.881 ppm2      1.682 CV     1
 ASSI {  542}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HD2 ))
      2.300     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.82869E-02 ppm1      1.883 ppm2      3.378 CV     1
 OR {  542}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  542}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HD3 ))
 OR {  542}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HD2 ))
 ASSI {  544}
   (( segid "    " and resid 84   and name HG12))
   (  segid "    " and resid 84   and name HD1%)
      1.900     0.400     0.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.23861E-01 ppm1      1.560 ppm2      0.848 CV     1
 ASSI {  552}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.200     1.300     1.300 peak   552 spectrum    1 weight  0.10000E+01 volume  0.16867E-02 ppm1      0.971 ppm2      1.372 CV     1
 ASSI {  557}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 37   and name HG  ))
      3.600     1.600     1.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.30208E-02 ppm1      0.722 ppm2      1.385 CV     1
 ASSI {  559}
   (( segid "    " and resid 86   and name HG12))
   (  segid "    " and resid 73   and name HD1%)
      2.500     0.800     0.800 peak   559 spectrum    1 weight  0.10000E+01 volume  0.76404E-02 ppm1      1.415 ppm2      0.873 CV     1
 ASSI {  560}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HG12))
      1.600     0.300     0.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.13634E-01 ppm1      1.220 ppm2      1.412 CV     1
 ASSI {  561}
   (( segid "    " and resid 86   and name HG13))
   (  segid "    " and resid 73   and name HD1%)
      2.100     0.500     0.500 peak   561 spectrum    1 weight  0.10000E+01 volume  0.76404E-02 ppm1      1.222 ppm2      0.876 CV     1
 ASSI {  562}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HG2 ))
      1.800     0.400     0.400 peak   562 spectrum    1 weight  0.10000E+01 volume  0.81688E-02 ppm1      0.886 ppm2      1.534 CV     1
 ASSI {  564}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   564 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      0.778 ppm2      4.604 CV     1
 ASSI {  567}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.41316E-02 ppm1      0.776 ppm2      1.984 CV     1
 ASSI {  570}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.500     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.28445E-02 ppm1      2.093 ppm2      3.651 CV     1
 ASSI {  571}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD3 ))
      3.000     1.100     1.100 peak   571 spectrum    1 weight  0.10000E+01 volume  0.38906E-02 ppm1      2.091 ppm2      3.543 CV     1
 ASSI {  573}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB3 ))
      3.400     1.500     1.500 peak   573 spectrum    1 weight  0.10000E+01 volume  0.17396E-02 ppm1      2.087 ppm2      2.226 CV     1
 ASSI {  574}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.000     1.100     1.100 peak   574 spectrum    1 weight  0.10000E+01 volume  0.29914E-02 ppm1      1.779 ppm2      3.654 CV     1
 ASSI {  578}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 34   and name HG2 ))
      1.800     0.400     0.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.11872E-01 ppm1      1.772 ppm2      2.089 CV     1
 ASSI {  579}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 37   and name HB3 ))
      3.500     1.500     1.500 peak   579 spectrum    1 weight  0.10000E+01 volume  0.54362E-02 ppm1      1.779 ppm2      1.346 CV     1
 ASSI {  580}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 45   and name HB  ))
      2.700     0.900     0.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.46017E-02 ppm1      1.923 ppm2      2.048 CV     1
 ASSI {  582}
   (( segid "    " and resid 45   and name HG12))
   (  segid "    " and resid 45   and name HD1%)
      2.400     0.700     0.700 peak   582 spectrum    1 weight  0.10000E+01 volume  0.46781E-02 ppm1      1.937 ppm2      0.886 CV     1
 ASSI {  584}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HG12))
      1.800     0.400     0.400 peak   584 spectrum    1 weight  0.10000E+01 volume  0.86391E-02 ppm1      1.215 ppm2      1.933 CV     1
 ASSI {  587}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 8    and name HA2 ))
      3.200     1.300     1.300 peak   587 spectrum    1 weight  0.10000E+01 volume  0.19159E-02 ppm1      1.067 ppm2      3.611 CV     1
 ASSI {  589}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
      6.000     5.100     0.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.62884E-04 ppm1      1.065 ppm2      1.655 CV     1
 ASSI {  590}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HB3 ))
      2.600     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.55244E-02 ppm1      1.264 ppm2      1.638 CV     1
 OR {  590}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {  590}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {  593}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 71   and name HA2 ))
      3.600     1.600     1.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.27504E-02 ppm1      1.140 ppm2      3.893 CV     1
 ASSI {  595}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HG  ))
      2.000     0.500     0.500 peak   595 spectrum    1 weight  0.10000E+01 volume  0.13870E-01 ppm1      1.148 ppm2      1.380 CV     1
 ASSI {  596}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 37   and name HD2%)
      1.800     0.400     0.400 peak   596 spectrum    1 weight  0.10000E+01 volume  0.40316E-01 ppm1      1.148 ppm2      1.004 CV     1
 ASSI {  597}
   (  segid "    " and resid 37   and name HD1%)
   (  segid "    " and resid 73   and name HD1%)
      3.100     1.200     1.200 peak   597 spectrum    1 weight  0.10000E+01 volume  0.71114E-02 ppm1      1.148 ppm2      0.886 CV     1
 ASSI {  598}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.200     1.300     1.300 peak   598 spectrum    1 weight  0.10000E+01 volume  0.38553E-02 ppm1      1.100 ppm2      4.292 CV     1
 ASSI {  599}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HD2 ))
      2.100     0.500     0.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.16867E-01 ppm1      1.098 ppm2      1.438 CV     1
 OR {  599}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HD3 ))
 ASSI {  604}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 42   and name HG  ))
      2.200     0.600     0.600 peak   604 spectrum    1 weight  0.10000E+01 volume  0.72288E-02 ppm1      0.636 ppm2      1.855 CV     1
 ASSI {  607}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 45   and name HG13))
      3.700     1.700     1.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.15163E-02 ppm1      0.612 ppm2      1.193 CV     1
 ASSI {  609}
   (  segid "    " and resid 42   and name HD2%)
   (  segid "    " and resid 42   and name HD1%)
      1.800     0.400     0.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.40316E-01 ppm1      0.636 ppm2      0.781 CV     1
 ASSI {  611}
   (  segid "    " and resid 52   and name HG1%)
   (( segid "    " and resid 52   and name HB  ))
      2.400     0.700     0.700 peak   611 spectrum    1 weight  0.10000E+01 volume  0.50718E-02 ppm1      0.987 ppm2      2.129 CV     1
 ASSI {  613}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.93442E-02 ppm1      1.158 ppm2      4.487 CV     1
 ASSI {  616}
   (  segid "    " and resid 80   and name HG1%)
   (( segid "    " and resid 80   and name HB  ))
      2.100     0.600     0.600 peak   616 spectrum    1 weight  0.10000E+01 volume  0.12753E-01 ppm1      0.880 ppm2      2.035 CV     1
 ASSI {  617}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 75   and name HA  ))
      2.300     0.700     0.700 peak   617 spectrum    1 weight  0.10000E+01 volume  0.43843E-02 ppm1      0.968 ppm2      4.824 CV     1
 ASSI {  619}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 31   and name HG3 ))
      4.100     2.100     1.900 peak   619 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      0.129 ppm2      0.708 CV     1
 ASSI {  621}
   (( segid "    " and resid 68   and name HB3 ))
   (( segid "    " and resid 31   and name HG3 ))
      4.000     2.000     2.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      0.064 ppm2      0.706 CV     1
 ASSI {  622}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.100     1.200     1.200 peak   622 spectrum    1 weight  0.10000E+01 volume  0.30737E-02 ppm1      4.131 ppm2      2.338 CV     1
 OR {  622}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI {  623}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.36143E-02 ppm1      4.136 ppm2      2.075 CV     1
 ASSI {  624}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      2.700     0.900     0.900 peak   624 spectrum    1 weight  0.10000E+01 volume  0.31324E-02 ppm1      4.136 ppm2      1.923 CV     1
 ASSI {  625}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      3.000     1.100     1.100 peak   625 spectrum    1 weight  0.10000E+01 volume  0.18572E-02 ppm1      4.135 ppm2      0.778 CV     1
 ASSI {  629}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HG2 ))
      2.300     0.600     0.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.14340E-01 ppm1      0.794 ppm2      1.523 CV     1
 ASSI {  630}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HG13))
      3.000     1.100     1.100 peak   630 spectrum    1 weight  0.10000E+01 volume  0.46899E-02 ppm1      0.795 ppm2      1.243 CV     1
 ASSI {  635}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
      3.200     1.300     1.300 peak   635 spectrum    1 weight  0.10000E+01 volume  0.12400E-02 ppm1      0.639 ppm2      1.944 CV     1
 ASSI {  637}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 57   and name HG3 ))
      3.300     1.400     1.400 peak   637 spectrum    1 weight  0.10000E+01 volume  0.10226E-02 ppm1      0.638 ppm2      1.555 CV     1
 ASSI {  639}
   (( segid "    " and resid 73   and name HG13))
   (  segid "    " and resid 73   and name HD1%)
      2.000     0.500     0.500 peak   639 spectrum    1 weight  0.10000E+01 volume  0.12929E-01 ppm1      1.245 ppm2      0.885 CV     1
 ASSI {  640}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 73   and name HG13))
      1.700     0.400     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.10461E-01 ppm1      1.557 ppm2      1.252 CV     1
 ASSI {  641}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.300     0.600     0.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.10167E-01 ppm1      1.921 ppm2      2.326 CV     1
 OR {  641}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HG3 ))
 ASSI {  642}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      1.393 ppm2      4.067 CV     1
 ASSI {  643}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HD2 ))
      1.800     0.400     0.400 peak   643 spectrum    1 weight  0.10000E+01 volume  0.76991E-02 ppm1      1.392 ppm2      2.402 CV     1
 ASSI {  644}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HG2 ))
      3.000     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.35438E-02 ppm1      1.394 ppm2      1.527 CV     1
 ASSI {  646}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HG3 ))
      2.500     0.800     0.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.23214E-02 ppm1      1.393 ppm2      0.887 CV     1
 ASSI {  651}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HG13))
      3.400     1.500     1.500 peak   651 spectrum    1 weight  0.10000E+01 volume  0.20687E-02 ppm1      2.401 ppm2      1.244 CV     1
 ASSI {  655}
   (( segid "    " and resid 13   and name HE3 ))
   (( segid "    " and resid 13   and name HD3 ))
      2.400     0.700     0.700 peak   655 spectrum    1 weight  0.10000E+01 volume  0.75811E-02 ppm1      2.788 ppm2      1.446 CV     1
 OR {  655}
   (( segid "    " and resid 13   and name HE2 ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  655}
   (( segid "    " and resid 13   and name HE3 ))
   (( segid "    " and resid 13   and name HD2 ))
 OR {  655}
   (( segid "    " and resid 13   and name HE2 ))
   (( segid "    " and resid 13   and name HD3 ))
 ASSI {  659}
   (( segid "    " and resid 41   and name HB3 ))
   (  segid "    " and resid 30   and name HG2%)
      2.700     0.900     0.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.30031E-02 ppm1      3.120 ppm2      0.928 CV     1
 ASSI {  664}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.000     0.500     0.500 peak   664 spectrum    1 weight  0.10000E+01 volume  0.57360E-02 ppm1      2.847 ppm2      2.538 CV     1
 ASSI {  672}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 17   and name HG3 ))
      3.200     1.300     1.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.62296E-03 ppm1      7.163 ppm2      1.463 CV     1
 OR {  672}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  675}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HB2 ))
      4.000     2.000     2.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.17396E-02 ppm1      6.798 ppm2      3.171 CV     1
 ASSI {  678}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 61   and name HB% )
      3.700     1.700     1.700 peak   678 spectrum    1 weight  0.10000E+01 volume  0.79340E-03 ppm1      6.795 ppm2      0.136 CV     1
 ASSI {  685}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 68   and name HE2 ))
      3.200     1.300     1.300 peak   685 spectrum    1 weight  0.10000E+01 volume  0.13634E-02 ppm1      7.216 ppm2      2.690 CV     1
 ASSI {  686}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 68   and name HD3 ))
      3.200     1.300     1.300 peak   686 spectrum    1 weight  0.10000E+01 volume  0.89920E-03 ppm1      7.221 ppm2      0.361 CV     1
 ASSI {  688}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 41   and name HH2 ))
      3.900     1.900     1.900 peak   688 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1      6.488 ppm2      6.936 CV     1
 ASSI {  689}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 28   and name HA  ))
      5.100     3.300     0.900 peak   689 spectrum    1 weight  0.10000E+01 volume  0.61708E-03 ppm1      6.485 ppm2      5.075 CV     1
 ASSI {  692}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 68   and name HE3 ))
      3.700     1.700     1.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.13047E-02 ppm1      6.493 ppm2      2.151 CV     1
 ASSI {  693}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 68   and name HB2 ))
      2.300     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.59358E-02 ppm1      6.491 ppm2      0.136 CV     1
 ASSI {  705}
   (  segid "    " and resid 14   and name HE% )
   (  segid "    " and resid 14   and name HD% )
      2.200     0.600     0.600 peak   705 spectrum    1 weight  0.10000E+01 volume  0.92855E-02 ppm1      7.266 ppm2      7.110 CV     1
 ASSI {  714}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 74   and name HA  ))
      2.600     2.600     3.400 peak   714 spectrum    1 weight  0.10000E+01 volume  0.49191E-02 ppm1      7.304 ppm2      3.081 CV     1
 ASSI {  716}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 72   and name HB3 ))
      2.000     0.500     0.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.13106E-01 ppm1      7.299 ppm2      2.805 CV     1
 ASSI {  722}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HA  ))
      3.800     1.800     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.10637E-02 ppm1      7.077 ppm2      4.631 CV     1
 ASSI {  723}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB2 ))
      4.400     2.500     1.600 peak   723 spectrum    1 weight  0.10000E+01 volume  0.74049E-03 ppm1      7.090 ppm2      2.846 CV     1
 ASSI {  724}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB3 ))
      4.400     2.400     1.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.93442E-03 ppm1      7.071 ppm2      2.569 CV     1
 ASSI {  726}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 63   and name HZ  ))
      3.200     1.300     1.300 peak   726 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      7.446 ppm2      6.732 CV     1
 ASSI {  730}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      2.700     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.25036E-02 ppm1      7.604 ppm2      4.137 CV     1
 ASSI {  732}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.91094E-03 ppm1      7.607 ppm2      2.279 CV     1
 ASSI {  733}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 31   and name HD2 ))
      3.400     1.400     1.400 peak   733 spectrum    1 weight  0.10000E+01 volume  0.98732E-03 ppm1      7.605 ppm2      2.039 CV     1
 ASSI {  735}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 37   and name HG  ))
      2.700     0.900     0.900 peak   735 spectrum    1 weight  0.10000E+01 volume  0.33793E-02 ppm1      7.606 ppm2      1.388 CV     1
 ASSI {  736}
   (( segid "    " and resid 41   and name HD1 ))
   (  segid "    " and resid 37   and name HD1%)
      2.700     0.900     0.900 peak   736 spectrum    1 weight  0.10000E+01 volume  0.46193E-02 ppm1      7.605 ppm2      1.152 CV     1
 ASSI {  744}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 68   and name HE2 ))
      4.300     2.300     1.700 peak   744 spectrum    1 weight  0.10000E+01 volume  0.73462E-03 ppm1      6.952 ppm2      2.690 CV     1
 ASSI {  747}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.800     1.000     1.000 peak   747 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      7.957 ppm2      3.127 CV     1
 ASSI {  748}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB3 ))
      3.500     1.500     1.500 peak   748 spectrum    1 weight  0.10000E+01 volume  0.20628E-02 ppm1      7.951 ppm2      1.871 CV     1
 ASSI {  755}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 31   and name HD3 ))
      3.500     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.17748E-02 ppm1      7.526 ppm2      1.843 CV     1
 ASSI {  765}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 60   and name HB2 ))
      4.300     2.300     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.40493E-03 ppm1      6.881 ppm2      4.359 CV     1
 ASSI {  766}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.600     1.600     1.600 peak   766 spectrum    1 weight  0.10000E+01 volume  0.84630E-03 ppm1      6.883 ppm2      2.900 CV     1
 ASSI {  776}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 41   and name HH2 ))
      3.500     1.500     1.500 peak   776 spectrum    1 weight  0.10000E+01 volume  0.83456E-03 ppm1      1.398 ppm2      6.936 CV     1
 ASSI {  779}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HG3 ))
      4.400     2.400     1.600 peak   779 spectrum    1 weight  0.10000E+01 volume  0.59946E-03 ppm1      7.608 ppm2      1.890 CV     1
 ASSI {  781}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 56   and name HG  ))
      2.600     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.24977E-02 ppm1      3.612 ppm2      1.796 CV     1
 ASSI {  784}
   (( segid "    " and resid 29   and name HD3 ))
   (( segid "    " and resid 57   and name HA  ))
      5.600     4.000     0.400 peak   784 spectrum    1 weight  0.10000E+01 volume  0.95797E-04 ppm1      3.245 ppm2      5.352 CV     1
 OR {  784}
   (( segid "    " and resid 29   and name HD2 ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  785}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 63   and name HD% )
      3.600     1.600     1.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.20217E-02 ppm1      2.938 ppm2      7.296 CV     1
 ASSI {  787}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 30   and name HD1%)
      2.600     0.800     0.800 peak   787 spectrum    1 weight  0.10000E+01 volume  0.29738E-02 ppm1      1.661 ppm2      1.020 CV     1
 ASSI {  789}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 57   and name HA  ))
      2.600     0.900     0.900 peak   789 spectrum    1 weight  0.10000E+01 volume  0.34968E-02 ppm1      2.759 ppm2      5.349 CV     1
 ASSI {  790}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.24448E-02 ppm1      2.759 ppm2      4.570 CV     1
 ASSI {  791}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 75   and name HB  ))
      3.400     1.400     1.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.34204E-02 ppm1      2.542 ppm2      2.100 CV     1
 ASSI {  792}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 75   and name HB  ))
      2.100     0.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.91681E-02 ppm1      2.220 ppm2      2.100 CV     1
 ASSI {  793}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 75   and name HG1%)
      4.900     3.000     1.100 peak   793 spectrum    1 weight  0.10000E+01 volume  0.54245E-03 ppm1      2.539 ppm2      0.965 CV     1
 ASSI {  794}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 75   and name HG1%)
      4.600     2.600     1.400 peak   794 spectrum    1 weight  0.10000E+01 volume  0.20394E-03 ppm1      2.217 ppm2      0.962 CV     1
 ASSI {  795}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.600     1.600 peak   795 spectrum    1 weight  0.10000E+01 volume  0.69933E-03 ppm1      2.220 ppm2      4.796 CV     1
 ASSI {  801}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HD2 ))
      2.300     0.600     0.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.10755E-01 ppm1      2.993 ppm2      1.683 CV     1
 OR {  801}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HD3 ))
 OR {  801}
   (( segid "    " and resid 82   and name HE2 ))
   (( segid "    " and resid 82   and name HD2 ))
 OR {  801}
   (( segid "    " and resid 82   and name HE3 ))
   (( segid "    " and resid 82   and name HD3 ))
 ASSI {  802}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 58   and name HD1%)
      4.200     2.200     1.800 peak   802 spectrum    1 weight  0.10000E+01 volume  0.22392E-02 ppm1      2.404 ppm2      1.041 CV     1
 ASSI {  804}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.22921E-02 ppm1      2.404 ppm2      4.050 CV     1
 ASSI {  806}
   (( segid "    " and resid 68   and name HE2 ))
   (( segid "    " and resid 68   and name HB2 ))
      4.000     2.000     2.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      2.684 ppm2      0.121 CV     1
 ASSI {  807}
   (( segid "    " and resid 68   and name HE2 ))
   (( segid "    " and resid 68   and name HG3 ))
      3.900     1.900     1.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.18748E-02 ppm1      2.687 ppm2      0.685 CV     1
 ASSI {  808}
   (( segid "    " and resid 68   and name HE3 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.300     1.400     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.11578E-02 ppm1      2.142 ppm2      1.375 CV     1
 ASSI {  810}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.48662E-02 ppm1      1.993 ppm2      3.922 CV     1
 ASSI {  812}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 61   and name HB% )
      3.000     1.100     1.100 peak   812 spectrum    1 weight  0.10000E+01 volume  0.18278E-02 ppm1      2.700 ppm2      0.142 CV     1
 ASSI {  816}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      4.100     2.100     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.86391E-03 ppm1      2.664 ppm2      3.644 CV     1
 ASSI {  817}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 36   and name HD1%)
      4.000     2.000     2.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.12459E-02 ppm1      2.660 ppm2      0.978 CV     1
 OR {  817}
   (( segid "    " and resid 34   and name HB2 ))
   (  segid "    " and resid 36   and name HG2%)
 ASSI {  818}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 45   and name HG13))
      3.700     1.700     1.700 peak   818 spectrum    1 weight  0.10000E+01 volume  0.21628E-02 ppm1      1.358 ppm2      1.220 CV     1
 ASSI {  819}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 45   and name HD1%)
      3.600     1.600     1.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.18630E-02 ppm1      1.358 ppm2      0.890 CV     1
 ASSI {  822}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   822 spectrum    1 weight  0.10000E+01 volume  0.71701E-02 ppm1      2.436 ppm2      4.264 CV     1
 OR {  822}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  826}
   (( segid "    " and resid 7    and name HB3 ))
   (  segid "    " and resid 27   and name HE% )
      4.100     2.100     1.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.16103E-02 ppm1      3.114 ppm2      7.077 CV     1
 ASSI {  829}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 47   and name HD3 ))
      3.100     1.200     1.200 peak   829 spectrum    1 weight  0.10000E+01 volume  0.97558E-03 ppm1      4.567 ppm2      2.971 CV     1
 ASSI {  830}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.900     1.900     1.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.97558E-03 ppm1      4.567 ppm2      3.245 CV     1
 ASSI {  833}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.71114E-02 ppm1      4.204 ppm2      4.040 CV     1
 ASSI {  835}
   (( segid "    " and resid 68   and name HD3 ))
   (( segid "    " and resid 68   and name HB3 ))
      3.800     1.800     1.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.40199E-03 ppm1      0.365 ppm2      0.056 CV     1
 ASSI {  839}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 41   and name HH2 ))
      3.100     1.200     1.200 peak   839 spectrum    1 weight  0.10000E+01 volume  0.17278E-02 ppm1      1.369 ppm2      6.952 CV     1
 ASSI {  841}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 76   and name HD3 ))
      2.300     0.700     0.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.40316E-02 ppm1      2.231 ppm2      3.708 CV     1
 ASSI {  843}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 9    and name HZ  ))
      4.300     2.300     1.700 peak   843 spectrum    1 weight  0.10000E+01 volume  0.11636E-02 ppm1      2.340 ppm2      6.987 CV     1
 ASSI {  845}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 9    and name HZ  ))
      3.500     1.600     1.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1      2.228 ppm2      6.983 CV     1
 ASSI {  848}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 9    and name HD% )
      3.600     1.600     1.600 peak   848 spectrum    1 weight  0.10000E+01 volume  0.15809E-02 ppm1      3.804 ppm2      6.646 CV     1
 ASSI {  849}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 9    and name HZ  ))
      2.500     0.800     0.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.62884E-02 ppm1      3.804 ppm2      6.970 CV     1
 ASSI {  851}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HG  ))
      2.800     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.17514E-02 ppm1      0.772 ppm2      1.853 CV     1
 ASSI {  853}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HB  ))
      2.400     0.700     0.700 peak   853 spectrum    1 weight  0.10000E+01 volume  0.33087E-02 ppm1      1.217 ppm2      2.042 CV     1
 ASSI {  854}
   (( segid "    " and resid 45   and name HG12))
   (( segid "    " and resid 42   and name HA  ))
      2.800     0.900     0.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.41021E-02 ppm1      1.928 ppm2      3.898 CV     1
 ASSI {  855}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.300     1.400     1.400 peak   855 spectrum    1 weight  0.10000E+01 volume  0.27563E-02 ppm1      2.093 ppm2      4.728 CV     1
 ASSI {  856}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HG2 ))
      1.600     0.300     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.20452E-01 ppm1      1.261 ppm2      1.519 CV     1
 ASSI {  859}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.700     1.700     1.700 peak   859 spectrum    1 weight  0.10000E+01 volume  0.20628E-02 ppm1      4.424 ppm2      2.006 CV     1
 OR {  859}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG3 ))
 ASSI {  860}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HE3 ))
      3.100     1.200     1.200 peak   860 spectrum    1 weight  0.10000E+01 volume  0.20628E-02 ppm1      0.753 ppm2      2.785 CV     1
 OR {  860}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HE2 ))
 ASSI {  861}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE2 ))
      3.100     1.200     1.200 peak   861 spectrum    1 weight  0.10000E+01 volume  0.22274E-02 ppm1      1.103 ppm2      2.790 CV     1
 OR {  861}
   (( segid "    " and resid 13   and name HG2 ))
   (( segid "    " and resid 13   and name HE3 ))
 ASSI {  863}
   (( segid "    " and resid 13   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.700     1.700     1.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.17278E-02 ppm1      0.746 ppm2      4.292 CV     1
 ASSI {  865}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 47   and name HD2 ))
      3.000     1.100     1.100 peak   865 spectrum    1 weight  0.10000E+01 volume  0.21451E-02 ppm1      4.053 ppm2      3.243 CV     1
 ASSI {  869}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     1.400     1.400 peak   869 spectrum    1 weight  0.10000E+01 volume  0.84043E-03 ppm1      3.317 ppm2      2.890 CV     1
 ASSI {  870}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 9    and name HD% )
      3.200     1.300     1.300 peak   870 spectrum    1 weight  0.10000E+01 volume  0.17690E-02 ppm1      4.380 ppm2      6.658 CV     1
 ASSI {  871}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      3.300     1.400     1.400 peak   871 spectrum    1 weight  0.10000E+01 volume  0.23214E-02 ppm1      3.099 ppm2      1.533 CV     1
 ASSI {  872}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      3.200     1.300     1.300 peak   872 spectrum    1 weight  0.10000E+01 volume  0.18748E-02 ppm1      3.104 ppm2      1.880 CV     1
 ASSI {  874}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
      3.800     1.800     1.800 peak   874 spectrum    1 weight  0.10000E+01 volume  0.58711E-03 ppm1      0.647 ppm2      2.825 CV     1
 ASSI {  876}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 53   and name HG1%)
      2.600     0.800     0.800 peak   876 spectrum    1 weight  0.10000E+01 volume  0.57066E-02 ppm1      4.596 ppm2      0.977 CV     1
 ASSI {  877}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 31   and name HG3 ))
      4.100     2.100     1.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.11695E-02 ppm1      3.486 ppm2      0.725 CV     1
 ASSI {  883}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak   883 spectrum    1 weight  0.10000E+01 volume  0.63472E-02 ppm1      0.857 ppm2      2.911 CV     1
 ASSI {  884}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 27   and name HA  ))
      2.900     1.100     1.100 peak   884 spectrum    1 weight  0.10000E+01 volume  0.16514E-02 ppm1      4.950 ppm2      4.639 CV     1
 ASSI {  885}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 27   and name HD% )
      3.100     1.200     1.200 peak   885 spectrum    1 weight  0.10000E+01 volume  0.14987E-02 ppm1      4.945 ppm2      6.891 CV     1
 ASSI {  886}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 42   and name HD2%)
      3.400     1.500     1.500 peak   886 spectrum    1 weight  0.10000E+01 volume  0.22333E-02 ppm1      4.135 ppm2      0.631 CV     1
 ASSI {  887}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 53   and name HG2%)
      2.700     0.900     0.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.48015E-02 ppm1      4.135 ppm2      0.960 CV     1
 ASSI {  888}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 52   and name HG1%)
      4.300     2.300     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.11107E-02 ppm1      3.910 ppm2      1.009 CV     1
 ASSI {  890}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 78   and name HB3 ))
      2.600     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.31384E-02 ppm1      3.926 ppm2      1.902 CV     1
 ASSI {  891}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 78   and name HG2 ))
      3.800     1.800     1.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.72288E-03 ppm1      3.926 ppm2      1.725 CV     1
 ASSI {  892}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 78   and name HB2 ))
      3.300     1.300     1.300 peak   892 spectrum    1 weight  0.10000E+01 volume  0.13694E-02 ppm1      3.926 ppm2      2.009 CV     1
 ASSI {  893}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 38   and name HD3 ))
      2.800     1.000     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.32500E-02 ppm1      4.123 ppm2      2.995 CV     1
 ASSI {  894}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      2.000     2.000     4.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.88746E-02 ppm1      4.123 ppm2      1.715 CV     1
 ASSI {  895}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG13))
      4.000     2.000     2.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.75811E-03 ppm1      5.365 ppm2      1.688 CV     1
 ASSI {  896}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG12))
      3.600     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.82869E-03 ppm1      5.365 ppm2      1.884 CV     1
 ASSI {  897}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
      2.400     0.700     0.700 peak   897 spectrum    1 weight  0.10000E+01 volume  0.40375E-02 ppm1      4.050 ppm2      0.785 CV     1
 ASSI {  900}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      3.200     1.300     1.300 peak   900 spectrum    1 weight  0.10000E+01 volume  0.18101E-02 ppm1      4.193 ppm2      0.972 CV     1
 OR {  900}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
 ASSI {  901}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 86   and name HD1%)
      2.700     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.25506E-02 ppm1      4.192 ppm2      0.852 CV     1
 ASSI {  906}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HG2%)
      2.600     0.900     0.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.48427E-02 ppm1      4.062 ppm2      0.793 CV     1
 ASSI {  908}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      2.300     0.700     0.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.76404E-02 ppm1      0.787 ppm2      1.040 CV     1
 ASSI {  909}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 10   and name HD2 ))
      3.000     1.200     1.200 peak   909 spectrum    1 weight  0.10000E+01 volume  0.37848E-02 ppm1      0.787 ppm2      3.325 CV     1
 ASSI {  911}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 9    and name HE% )
      2.600     0.800     0.800 peak   911 spectrum    1 weight  0.10000E+01 volume  0.51247E-02 ppm1      0.788 ppm2      6.890 CV     1
 ASSI {  912}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      2.900     1.100     1.100 peak   912 spectrum    1 weight  0.10000E+01 volume  0.13929E-02 ppm1      3.869 ppm2      0.494 CV     1
 ASSI {  914}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.700     0.900     0.900 peak   914 spectrum    1 weight  0.10000E+01 volume  0.24390E-02 ppm1      5.042 ppm2      2.421 CV     1
 ASSI {  915}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      3.700     1.700     1.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.69933E-03 ppm1      3.969 ppm2      0.490 CV     1
 ASSI {  916}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 68   and name HE3 ))
      3.900     1.900     1.900 peak   916 spectrum    1 weight  0.10000E+01 volume  0.81101E-03 ppm1      7.225 ppm2      2.148 CV     1
 ASSI {  917}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG3 ))
      3.400     1.500     1.500 peak   917 spectrum    1 weight  0.10000E+01 volume  0.15280E-02 ppm1      5.351 ppm2      1.560 CV     1
 ASSI {  918}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak   918 spectrum    1 weight  0.10000E+01 volume  0.30796E-02 ppm1      4.209 ppm2      2.666 CV     1
 ASSI {  921}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HB3 ))
      4.600     2.600     1.400 peak   921 spectrum    1 weight  0.10000E+01 volume  0.33793E-03 ppm1      3.408 ppm2      1.910 CV     1
 ASSI {  922}
   (( segid "    " and resid 78   and name HD3 ))
   (( segid "    " and resid 78   and name HB2 ))
      4.600     2.700     1.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.52835E-03 ppm1      3.408 ppm2      2.014 CV     1
 ASSI {  923}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HB3 ))
      4.200     2.200     1.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.89333E-03 ppm1      3.964 ppm2      1.906 CV     1
 ASSI {  924}
   (( segid "    " and resid 78   and name HD2 ))
   (( segid "    " and resid 78   and name HB2 ))
      4.700     2.800     1.300 peak   924 spectrum    1 weight  0.10000E+01 volume  0.22509E-03 ppm1      3.964 ppm2      2.010 CV     1
 ASSI {  927}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HG3 ))
      4.200     2.200     1.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      5.043 ppm2      1.486 CV     1
 ASSI {  930}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 37   and name HB3 ))
      4.400     2.500     1.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.13341E-02 ppm1      3.539 ppm2      1.345 CV     1
 ASSI {  932}
   (( segid "    " and resid 34   and name HD3 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.500     2.500     1.500 peak   932 spectrum    1 weight  0.10000E+01 volume  0.68172E-03 ppm1      3.539 ppm2      2.667 CV     1
 ASSI {  935}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     1.400     1.400 peak   935 spectrum    1 weight  0.10000E+01 volume  0.75224E-03 ppm1      7.027 ppm2      3.853 CV     1
 ASSI {  938}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 31   and name HD2 ))
      3.300     1.300     1.300 peak   938 spectrum    1 weight  0.10000E+01 volume  0.12107E-02 ppm1      7.525 ppm2      2.040 CV     1
 ASSI {  939}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.500     1.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.90507E-03 ppm1      1.472 ppm2      4.595 CV     1
 ASSI {  941}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
      3.700     1.700     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      6.493 ppm2      2.900 CV     1
 ASSI {  942}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 68   and name HE2 ))
      3.400     1.400     1.400 peak   942 spectrum    1 weight  0.10000E+01 volume  0.18630E-02 ppm1      6.493 ppm2      2.664 CV     1
 ASSI {  943}
   (  segid "    " and resid 28   and name HE% )
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.14928E-02 ppm1      6.485 ppm2      4.600 CV     1
 ASSI {  945}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     6.000     0.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.56596E-05 ppm1      2.369 ppm2      2.007 CV     1
 ASSI {  946}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.300     0.700     0.700 peak   946 spectrum    1 weight  0.10000E+01 volume  0.73462E-02 ppm1      2.282 ppm2      2.097 CV     1
 ASSI {  947}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.900     1.000     1.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.42550E-02 ppm1      2.281 ppm2      2.005 CV     1
 ASSI {  948}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.900     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.31971E-02 ppm1      2.362 ppm2      4.286 CV     1
 ASSI {  953}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB3 ))
      3.000     1.100     1.100 peak   953 spectrum    1 weight  0.10000E+01 volume  0.45430E-02 ppm1      2.066 ppm2      1.775 CV     1
 ASSI {  955}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HB2 ))
      2.300     0.700     0.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.81101E-02 ppm1      2.068 ppm2      1.866 CV     1
 ASSI {  956}
   (( segid "    " and resid 83   and name HG3 ))
   (( segid "    " and resid 83   and name HA  ))
      3.300     1.400     1.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.10755E-02 ppm1      2.135 ppm2      3.873 CV     1
 ASSI {  959}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   959 spectrum    1 weight  0.10000E+01 volume  0.44606E-02 ppm1      1.744 ppm2      4.135 CV     1
 ASSI {  960}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.600     0.900     0.900 peak   960 spectrum    1 weight  0.10000E+01 volume  0.81688E-02 ppm1      2.071 ppm2      4.132 CV     1
 ASSI {  963}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak   963 spectrum    1 weight  0.10000E+01 volume  0.50660E-02 ppm1      4.168 ppm2      2.322 CV     1
 ASSI {  964}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG13))
      2.900     1.100     1.100 peak   964 spectrum    1 weight  0.10000E+01 volume  0.45664E-02 ppm1      4.168 ppm2      1.305 CV     1
 ASSI {  967}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.900     1.000     1.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.31618E-02 ppm1      4.282 ppm2      2.005 CV     1
 ASSI {  969}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HA  ))
      2.400     0.700     0.700 peak   969 spectrum    1 weight  0.10000E+01 volume  0.71701E-02 ppm1      0.970 ppm2      4.167 CV     1
 ASSI {  970}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.33264E-02 ppm1      4.192 ppm2      1.681 CV     1
 OR {  970}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
 ASSI {  971}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HG12))
      2.000     0.500     0.500 peak   971 spectrum    1 weight  0.10000E+01 volume  0.11931E-01 ppm1      0.853 ppm2      1.407 CV     1
 ASSI {  972}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 75   and name HG2%)
      3.900     1.900     1.900 peak   972 spectrum    1 weight  0.10000E+01 volume  0.73462E-03 ppm1      5.044 ppm2      0.489 CV     1
 ASSI {  973}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.300     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.45841E-02 ppm1      3.851 ppm2      0.123 CV     1
 ASSI {  974}
   (( segid "    " and resid 68   and name HD3 ))
   (( segid "    " and resid 68   and name HB2 ))
      3.000     1.100     1.100 peak   974 spectrum    1 weight  0.10000E+01 volume  0.74049E-03 ppm1      0.365 ppm2      0.122 CV     1
 ASSI {  979}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 27   and name HB3 ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.47251E-03 ppm1      0.638 ppm2      2.572 CV     1
 ASSI {  980}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      3.700     1.700     1.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.59358E-03 ppm1      4.654 ppm2      1.695 CV     1

#Ambiguous NOEs for CtBP THAP domain

 ASSI {   17}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 37   and name HG  ))
      3.100     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.15648E-02 ppm1     10.352 ppm2      1.386 CV     1
 OR {   17}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI {   26}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA2 ))
      3.100     1.200     1.200 peak    26 spectrum    1 weight  0.10000E+01 volume  0.14943E-02 ppm1     10.078 ppm2      3.613 CV     1
 OR {   26}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {   57}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      4.200     2.200     1.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.63155E-03 ppm1      8.928 ppm2      3.161 CV     1
 OR {   57}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {   77}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.33128E-02 ppm1      8.362 ppm2      1.637 CV     1
 OR {   77}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
 ASSI {  136}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      2.900     2.900     3.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.40599E-02 ppm1      7.668 ppm2      0.969 CV     1
 OR {  136}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
 ASSI {  158}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.800     1.000     1.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.30450E-02 ppm1      9.648 ppm2      1.698 CV     1
 OR {  158}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG13))
 ASSI {  185}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      4.000     2.000     2.000 peak   185 spectrum    1 weight  0.10000E+01 volume  0.10841E-02 ppm1      8.885 ppm2      0.928 CV     1
 OR {  185}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
 ASSI {  200}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      2.400     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.72743E-02 ppm1      8.701 ppm2      1.829 CV     1
 OR {  200}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HD3 ))
 ASSI {  202}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 57   and name HG3 ))
      3.300     3.300     2.700 peak   202 spectrum    1 weight  0.10000E+01 volume  0.26785E-02 ppm1      8.700 ppm2      1.532 CV     1
 OR {  202}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  227}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      2.700     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.25657E-02 ppm1      8.543 ppm2      1.913 CV     1
 OR {  227}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  255}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.43983E-02 ppm1      7.757 ppm2      2.947 CV     1
 OR {  255}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  256}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB3 ))
      3.200     1.200     1.200 peak   256 spectrum    1 weight  0.10000E+01 volume  0.29463E-02 ppm1      7.759 ppm2      2.815 CV     1
 OR {  256}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  257}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
      3.900     1.900     1.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.88528E-03 ppm1      7.757 ppm2      1.901 CV     1
 OR {  257}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI {  262}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HG2 ))
      2.700     2.700     3.300 peak   262 spectrum    1 weight  0.10000E+01 volume  0.63860E-02 ppm1      7.524 ppm2      1.858 CV     1
 OR {  262}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HG3 ))
 OR {  262}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 42   and name HG  ))
 ASSI {  288}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.400     3.400     2.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.12899E-02 ppm1      8.062 ppm2      1.910 CV     1
 OR {  288}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
 ASSI {  324}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
      3.500     1.500     1.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.25234E-02 ppm1      7.698 ppm2      1.926 CV     1
 OR {  324}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  363}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      3.800     1.800     1.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.76688E-03 ppm1      8.823 ppm2      0.995 CV     1
 OR {  363}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
 ASSI {  381}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.500     1.600     1.600 peak   381 spectrum    1 weight  0.10000E+01 volume  0.18608E-02 ppm1      8.361 ppm2      1.492 CV     1
 OR {  381}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  383}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.800     1.800     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.78099E-03 ppm1      8.361 ppm2      0.793 CV     1
 OR {  383}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI {  401}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.600     0.900     0.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.31155E-02 ppm1      8.279 ppm2      2.519 CV     1
 OR {  401}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  420}
   (( segid "    " and resid 55   and name HE22))
   (( segid "    " and resid 55   and name HE21))
      1.800     0.400     0.400 peak   420 spectrum    1 weight  0.10000E+01 volume  0.17904E-01 ppm1      6.879 ppm2      7.547 CV     1
 OR {  420}
   (( segid "    " and resid 24   and name HD22))
   (( segid "    " and resid 24   and name HD21))
 ASSI {  477}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.900     2.900     3.100 peak   477 spectrum    1 weight  0.10000E+01 volume  0.17057E-02 ppm1      8.089 ppm2      2.939 CV     1
 OR {  477}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  506}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.400     1.500     1.500 peak   506 spectrum    1 weight  0.10000E+01 volume  0.30027E-02 ppm1      8.601 ppm2      0.935 CV     1
 OR {  506}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
 ASSI {    3}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 73   and name HG12))
      4.500     2.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.60263E-03 ppm1     10.358 ppm2      1.551 CV     1
 OR {    3}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 73   and name HB  ))
 OR {    3}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {    8}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 73   and name HG13))
      4.000     2.000     2.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.44436E-03 ppm1     10.358 ppm2      1.239 CV     1
 OR {    8}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {   15}
   (( segid "    " and resid 41   and name HE1 ))
   (  segid "    " and resid 73   and name HD1%)
      4.000     2.000     2.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1     10.359 ppm2      0.884 CV     1
 OR {   15}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI {   17}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 68   and name HG2 ))
      5.300     3.500     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.26570E-03 ppm1     10.359 ppm2      0.727 CV     1
 OR {   17}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {   65}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 57   and name HB3 ))
      4.600     2.700     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.33479E-03 ppm1      9.302 ppm2      1.705 CV     1
 OR {   65}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HD3 ))
 OR {   65}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HD2 ))
 ASSI {   70}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.900     1.000     1.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.63002E-02 ppm1      8.364 ppm2      1.656 CV     1
 OR {   70}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 OR {   70}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HD3 ))
 OR {   70}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI {   72}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.900     1.100     1.100 peak    72 spectrum    1 weight  0.10000E+01 volume  0.35306E-02 ppm1      8.456 ppm2      1.640 CV     1
 OR {   72}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
 ASSI {   78}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.400     1.400     1.400 peak    78 spectrum    1 weight  0.10000E+01 volume  0.25992E-02 ppm1      8.939 ppm2      1.505 CV     1
 OR {   78}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   79}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      4.500     2.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.34088E-03 ppm1      8.893 ppm2      1.500 CV     1
 OR {   79}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {   81}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
      3.900     1.900     1.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.47480E-03 ppm1      8.829 ppm2      1.496 CV     1
 OR {   81}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HG13))
 ASSI {   82}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG12))
      2.600     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.32566E-02 ppm1      8.611 ppm2      1.484 CV     1
 OR {   82}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI {   83}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG3 ))
      3.500     1.600     1.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.23010E-02 ppm1      8.567 ppm2      1.478 CV     1
 OR {   83}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {   84}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG12))
      4.000     2.000     2.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.14883E-02 ppm1      8.554 ppm2      1.418 CV     1
 OR {   84}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HG3 ))
 ASSI {   86}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HG  ))
      4.600     2.600     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.31653E-03 ppm1      8.893 ppm2      1.389 CV     1
 OR {   86}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI {   89}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      4.200     2.200     1.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.80962E-03 ppm1      8.830 ppm2      1.329 CV     1
 OR {   89}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
 ASSI {   98}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
      4.200     2.200     1.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.86134E-03 ppm1      8.553 ppm2      1.155 CV     1
 OR {   98}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 37   and name HD1%)
 ASSI {   99}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
      2.800     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.24288E-02 ppm1      8.940 ppm2      1.102 CV     1
 OR {   99}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HG2 ))
 ASSI {  102}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      5.100     3.300     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.33479E-03 ppm1      8.891 ppm2      1.009 CV     1
 OR {  102}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
 ASSI {  103}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 36   and name HD1%)
      4.400     2.400     1.600 peak   103 spectrum    1 weight  0.10000E+01 volume  0.56610E-03 ppm1      8.830 ppm2      0.999 CV     1
 OR {  103}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
 OR {  103}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
 OR {  103}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  107}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.700     1.700     1.700 peak   107 spectrum    1 weight  0.10000E+01 volume  0.15613E-02 ppm1      8.456 ppm2      0.910 CV     1
 OR {  107}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 21   and name HD1%)
 ASSI {  108}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      2.700     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.42610E-02 ppm1      8.370 ppm2      0.895 CV     1
 OR {  108}
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  109}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      4.700     2.700     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.50828E-03 ppm1      8.892 ppm2      0.885 CV     1
 OR {  109}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 74   and name HG3 ))
 OR {  109}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  112}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      4.600     2.700     1.400 peak   112 spectrum    1 weight  0.10000E+01 volume  0.60263E-03 ppm1      8.892 ppm2      0.788 CV     1
 OR {  112}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI {  118}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 42   and name HD2%)
      5.000     3.200     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.42306E-03 ppm1      8.370 ppm2      0.636 CV     1
 OR {  118}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  164}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.37436E-02 ppm1      8.633 ppm2      2.228 CV     1
 OR {  164}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI {  165}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 81   and name HB3 ))
      2.700     0.900     0.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.55393E-02 ppm1      8.288 ppm2      2.228 CV     1
 OR {  165}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB3 ))
 OR {  165}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG3 ))
 ASSI {  166}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.600     1.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.70613E-03 ppm1      8.445 ppm2      2.209 CV     1
 OR {  166}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HG3 ))
 ASSI {  174}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   174 spectrum    1 weight  0.10000E+01 volume  0.10774E-02 ppm1      9.092 ppm2      2.071 CV     1
 OR {  174}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI {  178}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      2.400     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.55697E-02 ppm1      8.632 ppm2      2.032 CV     1
 OR {  178}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  180}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.400     1.500     1.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.22005E-02 ppm1      8.308 ppm2      2.025 CV     1
 OR {  180}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  180}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
 ASSI {  181}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 78   and name HB2 ))
      4.300     2.300     1.700 peak   181 spectrum    1 weight  0.10000E+01 volume  0.84610E-03 ppm1      9.429 ppm2      2.009 CV     1
 OR {  181}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 83   and name HB3 ))
 ASSI {  185}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.94353E-02 ppm1      8.366 ppm2      1.994 CV     1
 OR {  185}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI {  194}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB3 ))
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.73654E-02 ppm1      8.385 ppm2      1.912 CV     1
 OR {  194}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB  ))
 ASSI {  196}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      8.708 ppm2      1.900 CV     1
 OR {  196}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI {  201}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.000     1.100     1.100 peak   201 spectrum    1 weight  0.10000E+01 volume  0.46567E-02 ppm1      8.830 ppm2      1.826 CV     1
 OR {  201}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 31   and name HD3 ))
 ASSI {  228}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   228 spectrum    1 weight  0.10000E+01 volume  0.17318E-02 ppm1      9.103 ppm2      4.621 CV     1
 OR {  228}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  234}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      4.300     2.300     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.54176E-03 ppm1      7.674 ppm2      4.581 CV     1
 OR {  234}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  246}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.600     0.900     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.50219E-02 ppm1      7.849 ppm2      4.426 CV     1
 OR {  246}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  252}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak   252 spectrum    1 weight  0.10000E+01 volume  0.11687E-02 ppm1      7.869 ppm2      4.348 CV     1
 OR {  252}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  253}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.900     1.000     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.28031E-02 ppm1      7.825 ppm2      4.353 CV     1
 OR {  253}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 OR {  253}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  257}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 71   and name HA1 ))
      3.300     1.300     1.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.17623E-02 ppm1      8.550 ppm2      4.309 CV     1
 OR {  257}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HA1 ))
 ASSI {  263}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     1.200     1.200 peak   263 spectrum    1 weight  0.10000E+01 volume  0.21183E-02 ppm1      7.797 ppm2      4.291 CV     1
 OR {  263}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  265}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.50523E-02 ppm1      8.306 ppm2      4.244 CV     1
 OR {  265}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI {  270}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.77611E-02 ppm1      8.333 ppm2      4.222 CV     1
 OR {  270}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 OR {  270}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB  ))
 ASSI {  271}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
      2.500     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.62393E-02 ppm1      7.873 ppm2      4.208 CV     1
 OR {  271}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  272}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   272 spectrum    1 weight  0.10000E+01 volume  0.57219E-03 ppm1      8.891 ppm2      4.190 CV     1
 OR {  272}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HB  ))
 ASSI {  293}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.800     1.800     1.800 peak   293 spectrum    1 weight  0.10000E+01 volume  0.63002E-03 ppm1      8.139 ppm2      4.052 CV     1
 OR {  293}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 OR {  293}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  310}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
      3.100     1.200     1.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.13574E-02 ppm1      8.293 ppm2      3.932 CV     1
 OR {  310}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  310}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  313}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.21305E-02 ppm1      7.813 ppm2      3.914 CV     1
 OR {  313}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  314}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1      8.609 ppm2      3.910 CV     1
 OR {  314}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 76   and name HD2 ))
 ASSI {  318}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      2.900     1.000     1.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.40480E-02 ppm1      7.708 ppm2      3.885 CV     1
 OR {  318}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  331}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      4.000     2.000     2.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.13605E-02 ppm1      8.934 ppm2      3.597 CV     1
 OR {  331}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  337}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.400     1.400     1.400 peak   337 spectrum    1 weight  0.10000E+01 volume  0.23983E-02 ppm1      8.819 ppm2      3.491 CV     1
 OR {  337}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  345}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.100     1.200     1.200 peak   345 spectrum    1 weight  0.10000E+01 volume  0.20636E-02 ppm1      8.079 ppm2      3.323 CV     1
 OR {  345}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HD2 ))
 OR {  345}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HD3 ))
 ASSI {  349}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.700     1.700     1.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.61480E-03 ppm1      7.823 ppm2      3.173 CV     1
 OR {  349}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  351}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 25   and name HD2 ))
      3.800     1.800     1.800 peak   351 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      7.816 ppm2      3.129 CV     1
 OR {  351}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  352}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.100     0.500     0.500 peak   352 spectrum    1 weight  0.10000E+01 volume  0.11535E-01 ppm1      7.951 ppm2      3.106 CV     1
 OR {  352}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  372}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 23   and name HA  ))
      3.400     1.400     1.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.13179E-02 ppm1      7.165 ppm2      4.478 CV     1
 OR {  372}
   (( segid "    " and resid 27   and name HZ  ))
   (( segid "    " and resid 6    and name HA  ))
 ASSI {  379}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 60   and name HB2 ))
      4.500     2.500     1.500 peak   379 spectrum    1 weight  0.10000E+01 volume  0.34392E-03 ppm1      6.895 ppm2      4.377 CV     1
 OR {  379}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  385}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.900     1.100     1.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.16709E-02 ppm1      6.952 ppm2      4.294 CV     1
 OR {  385}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  391}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.45654E-02 ppm1      7.573 ppm2      4.225 CV     1
 OR {  391}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  396}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.58133E-02 ppm1      7.521 ppm2      4.138 CV     1
 OR {  396}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HA  ))
 OR {  396}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  401}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak   401 spectrum    1 weight  0.10000E+01 volume  0.17623E-02 ppm1      7.530 ppm2      4.052 CV     1
 OR {  401}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  406}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 78   and name HD2 ))
      3.300     1.400     1.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.19814E-02 ppm1      7.264 ppm2      3.963 CV     1
 OR {  406}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 62   and name HA  ))
 ASSI {  409}
   (( segid "    " and resid 27   and name HZ  ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     3.400     2.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.41393E-03 ppm1      7.171 ppm2      3.935 CV     1
 OR {  409}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 16   and name HB3 ))
 OR {  409}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  410}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.28914E-02 ppm1      7.058 ppm2      3.918 CV     1
 OR {  410}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  411}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 76   and name HD2 ))
      4.000     2.000     2.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.13514E-02 ppm1      6.894 ppm2      3.923 CV     1
 OR {  411}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  415}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.100     1.100 peak   415 spectrum    1 weight  0.10000E+01 volume  0.21457E-02 ppm1      7.579 ppm2      3.871 CV     1
 OR {  415}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
 ASSI {  427}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 8    and name HA2 ))
      4.000     2.000     2.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.94353E-03 ppm1      6.649 ppm2      3.602 CV     1
 OR {  427}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  437}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 5    and name HB  ))
      3.000     1.100     1.100 peak   437 spectrum    1 weight  0.10000E+01 volume  0.18140E-02 ppm1      7.078 ppm2      3.397 CV     1
 OR {  437}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  438}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 5    and name HB  ))
      4.100     2.100     1.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.35915E-03 ppm1      6.878 ppm2      3.397 CV     1
 OR {  438}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  442}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 10   and name HD2 ))
      3.800     1.800     1.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.55088E-03 ppm1      6.894 ppm2      3.321 CV     1
 OR {  442}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI {  444}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD2 ))
      2.500     2.500     3.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.15126E-01 ppm1      7.487 ppm2      3.183 CV     1
 OR {  444}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HD3 ))
 OR {  444}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HD2 ))
 ASSI {  453}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 7    and name HB3 ))
      2.900     1.100     1.100 peak   453 spectrum    1 weight  0.10000E+01 volume  0.29218E-02 ppm1      7.078 ppm2      3.117 CV     1
 OR {  453}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 25   and name HD2 ))
 OR {  453}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  454}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 41   and name HB3 ))
      4.100     2.100     1.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.12509E-02 ppm1      7.025 ppm2      3.115 CV     1
 OR {  454}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  455}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 62   and name HB2 ))
      4.200     2.200     1.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.94353E-03 ppm1      6.885 ppm2      3.112 CV     1
 OR {  455}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  457}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      3.100     1.200     1.200 peak   457 spectrum    1 weight  0.10000E+01 volume  0.13422E-02 ppm1      7.291 ppm2      3.105 CV     1
 OR {  457}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  458}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.700     1.700     1.700 peak   458 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      6.940 ppm2      3.100 CV     1
 OR {  458}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 41   and name HB3 ))
 OR {  458}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  459}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 74   and name HA  ))
      4.300     2.300     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.27088E-03 ppm1      6.716 ppm2      3.103 CV     1
 OR {  459}
   (( segid "    " and resid 63   and name HZ  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  470}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak   470 spectrum    1 weight  0.10000E+01 volume  0.77915E-02 ppm1      7.292 ppm2      2.945 CV     1
 OR {  470}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  473}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB2 ))
      3.500     1.600     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.23831E-02 ppm1      7.078 ppm2      2.844 CV     1
 OR {  473}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  478}
   (( segid "    " and resid 11   and name HD22))
   (( segid "    " and resid 11   and name HB3 ))
      3.500     1.600     1.600 peak   478 spectrum    1 weight  0.10000E+01 volume  0.28762E-02 ppm1      6.928 ppm2      2.810 CV     1
 OR {  478}
   (( segid "    " and resid 24   and name HD22))
   (( segid "    " and resid 24   and name HB3 ))
 OR {  478}
   (( segid "    " and resid 24   and name HD22))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  483}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 68   and name HE2 ))
      3.400     1.400     1.400 peak   483 spectrum    1 weight  0.10000E+01 volume  0.13301E-02 ppm1      7.217 ppm2      2.694 CV     1
 OR {  483}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HE2 ))
 ASSI {  491}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 23   and name HB3 ))
      3.400     1.500     1.500 peak   491 spectrum    1 weight  0.10000E+01 volume  0.92525E-03 ppm1      7.167 ppm2      2.549 CV     1
 OR {  491}
   (( segid "    " and resid 27   and name HZ  ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI {  492}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 27   and name HB3 ))
      3.700     1.700     1.700 peak   492 spectrum    1 weight  0.10000E+01 volume  0.17440E-02 ppm1      7.079 ppm2      2.552 CV     1
 OR {  492}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 59   and name HB3 ))
 ASSI {  493}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 77   and name HB3 ))
      3.900     1.900     1.900 peak   493 spectrum    1 weight  0.10000E+01 volume  0.74260E-03 ppm1      7.263 ppm2      2.509 CV     1
 OR {  493}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  518}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HG3 ))
      3.700     1.700     1.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.98000E-03 ppm1      6.937 ppm2      2.134 CV     1
 OR {  518}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 68   and name HE3 ))
 ASSI {  522}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 10   and name HB2 ))
      4.600     2.600     1.400 peak   522 spectrum    1 weight  0.10000E+01 volume  0.60871E-03 ppm1      6.648 ppm2      2.059 CV     1
 OR {  522}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 45   and name HB  ))
 ASSI {  523}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      2.600     0.900     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.45045E-02 ppm1      7.576 ppm2      2.042 CV     1
 OR {  523}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB  ))
 ASSI {  528}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
      3.500     1.500     1.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.23740E-02 ppm1      7.530 ppm2      1.910 CV     1
 OR {  528}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
 ASSI {  529}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.400     0.700     0.700 peak   529 spectrum    1 weight  0.10000E+01 volume  0.48089E-02 ppm1      6.606 ppm2      1.914 CV     1
 OR {  529}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  530}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.300     2.300     1.700 peak   530 spectrum    1 weight  0.10000E+01 volume  0.80349E-03 ppm1      7.230 ppm2      1.869 CV     1
 OR {  530}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 58   and name HG12))
 ASSI {  538}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 31   and name HD3 ))
      2.800     2.800     3.200 peak   538 spectrum    1 weight  0.10000E+01 volume  0.84003E-02 ppm1      7.595 ppm2      1.841 CV     1
 OR {  538}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 42   and name HG  ))
 ASSI {  541}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak   541 spectrum    1 weight  0.10000E+01 volume  0.16496E-02 ppm1      7.486 ppm2      1.812 CV     1
 OR {  541}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  547}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 57   and name HB3 ))
      4.000     2.000     2.000 peak   547 spectrum    1 weight  0.10000E+01 volume  0.90091E-03 ppm1      7.097 ppm2      1.683 CV     1
 OR {  547}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  549}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 58   and name HG13))
      2.900     1.000     1.000 peak   549 spectrum    1 weight  0.10000E+01 volume  0.19844E-02 ppm1      7.522 ppm2      1.674 CV     1
 OR {  549}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 30   and name HG12))
 ASSI {  555}
   (  segid "    " and resid 27   and name HE% )
   (( segid "    " and resid 25   and name HB2 ))
      3.500     1.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.78832E-03 ppm1      7.078 ppm2      1.573 CV     1
 OR {  555}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  556}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG12))
      3.500     1.500     1.500 peak   556 spectrum    1 weight  0.10000E+01 volume  0.24105E-02 ppm1      6.956 ppm2      1.551 CV     1
 OR {  556}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {  558}
   (( segid "    " and resid 83   and name HE22))
   (( segid "    " and resid 73   and name HB  ))
      3.100     3.100     2.900 peak   558 spectrum    1 weight  0.10000E+01 volume  0.23344E-02 ppm1      6.686 ppm2      1.532 CV     1
 OR {  558}
   (( segid "    " and resid 83   and name HE22))
   (( segid "    " and resid 85   and name HG2 ))
 ASSI {  559}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 30   and name HG13))
      3.200     1.300     1.300 peak   559 spectrum    1 weight  0.10000E+01 volume  0.32566E-02 ppm1      7.524 ppm2      1.512 CV     1
 OR {  559}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  560}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 30   and name HG13))
      3.200     1.300     1.300 peak   560 spectrum    1 weight  0.10000E+01 volume  0.24349E-02 ppm1      7.024 ppm2      1.521 CV     1
 OR {  560}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  568}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 17   and name HG3 ))
      3.300     1.400     1.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.60567E-03 ppm1      6.793 ppm2      1.468 CV     1
 OR {  568}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 17   and name HG2 ))
 OR {  568}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  573}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.300     0.700     0.700 peak   573 spectrum    1 weight  0.10000E+01 volume  0.56306E-02 ppm1      7.530 ppm2      1.388 CV     1
 OR {  573}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI {  574}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     2.800     3.200 peak   574 spectrum    1 weight  0.10000E+01 volume  0.96180E-02 ppm1      7.484 ppm2      1.391 CV     1
 OR {  574}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 37   and name HG  ))
 ASSI {  577}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.000     1.100     1.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.20423E-02 ppm1      6.946 ppm2      1.376 CV     1
 OR {  577}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI {  583}
   (( segid "    " and resid 41   and name HH2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1      6.940 ppm2      1.254 CV     1
 OR {  583}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 73   and name HG13))
 ASSI {  602}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HD2%)
      2.900     1.100     1.100 peak   602 spectrum    1 weight  0.10000E+01 volume  0.49306E-02 ppm1      7.524 ppm2      1.015 CV     1
 OR {  602}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 30   and name HD1%)
 ASSI {  609}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      2.600     2.600     3.400 peak   609 spectrum    1 weight  0.10000E+01 volume  0.22127E-02 ppm1      7.358 ppm2      0.950 CV     1
 OR {  609}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
 ASSI {  614}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
      3.300     1.400     1.400 peak   614 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1      6.952 ppm2      0.899 CV     1
 OR {  614}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  615}
   (( segid "    " and resid 41   and name HD1 ))
   (  segid "    " and resid 73   and name HD1%)
      3.300     1.400     1.400 peak   615 spectrum    1 weight  0.10000E+01 volume  0.31957E-02 ppm1      7.599 ppm2      0.880 CV     1
 OR {  615}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI {  617}
   (  segid "    " and resid 9    and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      6.647 ppm2      0.883 CV     1
 OR {  617}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 74   and name HG3 ))
 ASSI {  618}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      2.700     0.900     0.900 peak   618 spectrum    1 weight  0.10000E+01 volume  0.57219E-02 ppm1      7.575 ppm2      0.862 CV     1
 OR {  618}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  621}
   (( segid "    " and resid 9    and name HZ  ))
   (  segid "    " and resid 45   and name HG2%)
      3.600     1.700     1.700 peak   621 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      6.979 ppm2      0.789 CV     1
 OR {  621}
   (( segid "    " and resid 9    and name HZ  ))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  623}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 73   and name HG2%)
      4.300     2.300     1.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.97393E-03 ppm1      7.524 ppm2      0.783 CV     1
 OR {  623}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 45   and name HG2%)
 OR {  623}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI {  627}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 68   and name HG2 ))
      3.800     1.800     1.800 peak   627 spectrum    1 weight  0.10000E+01 volume  0.16375E-02 ppm1      7.443 ppm2      0.729 CV     1
 OR {  627}
   (( segid "    " and resid 41   and name HZ2 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {  628}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 68   and name HG2 ))
      4.300     2.300     1.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.82783E-03 ppm1      7.292 ppm2      0.713 CV     1
 OR {  628}
   (  segid "    " and resid 63   and name HD% )
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {  629}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 68   and name HG2 ))
      5.100     3.200     0.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.36219E-03 ppm1      6.946 ppm2      0.729 CV     1
 OR {  629}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {  632}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG3 ))
      4.000     2.000     2.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.12083E-02 ppm1      7.231 ppm2      0.685 CV     1
 OR {  632}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 68   and name HG3 ))
 ASSI {  637}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      2.700     0.900     0.900 peak   637 spectrum    1 weight  0.10000E+01 volume  0.72743E-02 ppm1      7.769 ppm2      2.130 CV     1
 OR {  637}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
 ASSI {  643}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.20605E-02 ppm1      8.139 ppm2      1.921 CV     1
 OR {  643}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HG12))
 ASSI {  648}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 62   and name HB3 ))
      2.700     0.900     0.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.36219E-02 ppm1      7.949 ppm2      1.862 CV     1
 OR {  648}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  653}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 84   and name HB  ))
      4.500     2.500     1.500 peak   653 spectrum    1 weight  0.10000E+01 volume  0.46567E-03 ppm1      8.251 ppm2      1.636 CV     1
 OR {  653}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 85   and name HB3 ))
 ASSI {  654}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 84   and name HB  ))
      3.700     1.700     1.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.48697E-03 ppm1      7.709 ppm2      1.634 CV     1
 OR {  654}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 85   and name HB3 ))
 ASSI {  657}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.29066E-02 ppm1      7.769 ppm2      1.574 CV     1
 OR {  657}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI {  659}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.100     2.100     1.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.50219E-03 ppm1      7.951 ppm2      1.505 CV     1
 OR {  659}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 78   and name HG3 ))
 ASSI {  661}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.400     2.400     1.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.55088E-03 ppm1      7.709 ppm2      1.509 CV     1
 OR {  661}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HG3 ))
 ASSI {  662}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.700     0.900     0.900 peak   662 spectrum    1 weight  0.10000E+01 volume  0.45958E-02 ppm1      8.126 ppm2      1.479 CV     1
 OR {  662}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  668}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      2.700     0.900     0.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.24257E-02 ppm1      7.995 ppm2      1.270 CV     1
 OR {  668}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  674}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.200     1.200 peak   674 spectrum    1 weight  0.10000E+01 volume  0.32870E-02 ppm1      7.766 ppm2      1.172 CV     1
 OR {  674}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI {  676}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 52   and name HG1%)
      3.800     1.800     1.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.91609E-03 ppm1      7.765 ppm2      0.996 CV     1
 OR {  676}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 56   and name HD2%)
 ASSI {  678}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      4.300     2.300     1.700 peak   678 spectrum    1 weight  0.10000E+01 volume  0.77004E-03 ppm1      7.765 ppm2      0.916 CV     1
 OR {  678}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI {  680}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      3.300     1.400     1.400 peak   680 spectrum    1 weight  0.10000E+01 volume  0.13848E-02 ppm1      8.253 ppm2      0.886 CV     1
 OR {  680}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 84   and name HG2%)
 ASSI {  681}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.500     2.500     1.500 peak   681 spectrum    1 weight  0.10000E+01 volume  0.73350E-03 ppm1      7.708 ppm2      0.886 CV     1
 OR {  681}
   (( segid "    " and resid 83   and name HE21))
   (  segid "    " and resid 84   and name HG2%)
 ASSI {  684}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 73   and name HG2%)
      3.600     1.600     1.600 peak   684 spectrum    1 weight  0.10000E+01 volume  0.81873E-03 ppm1      7.870 ppm2      0.789 CV     1
 OR {  684}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI {  685}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      5.000     3.100     1.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.37132E-03 ppm1      8.138 ppm2      0.781 CV     1
 OR {  685}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 42   and name HD1%)
 ASSI {  686}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 45   and name HG2%)
      4.300     2.300     1.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.69392E-03 ppm1      7.707 ppm2      0.786 CV     1
 OR {  686}
   (( segid "    " and resid 83   and name HE21))
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  691}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 25   and name HD3 ))
      2.800     2.800     3.200 peak   691 spectrum    1 weight  0.10000E+01 volume  0.34088E-02 ppm1      7.806 ppm2      2.972 CV     1
 OR {  691}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HD3 ))
 ASSI {  701}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.400     1.500     1.500 peak   701 spectrum    1 weight  0.10000E+01 volume  0.20909E-02 ppm1      8.123 ppm2      2.552 CV     1
 OR {  701}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  704}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 63   and name HB3 ))
      4.100     2.100     1.900 peak   704 spectrum    1 weight  0.10000E+01 volume  0.50523E-03 ppm1      7.949 ppm2      2.399 CV     1
 OR {  704}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 9    and name HB3 ))
 OR {  704}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 63   and name HB3 ))
 OR {  704}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  710}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
      4.600     2.600     1.400 peak   710 spectrum    1 weight  0.10000E+01 volume  0.53871E-03 ppm1      8.380 ppm2      1.225 CV     1
 OR {  710}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HG13))
 ASSI {  719}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.49914E-03 ppm1      9.330 ppm2      5.352 CV     1
 OR {  719}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  720}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
      5.000     3.200     1.000 peak   720 spectrum    1 weight  0.10000E+01 volume  0.48089E-03 ppm1      8.892 ppm2      0.916 CV     1
 OR {  720}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI {  722}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.800     2.900     1.200 peak   722 spectrum    1 weight  0.10000E+01 volume  0.32870E-03 ppm1      8.555 ppm2      1.532 CV     1
 OR {  722}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
 OR {  722}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 73   and name HG12))
 ASSI {  730}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.600     1.600 peak   730 spectrum    1 weight  0.10000E+01 volume  0.14822E-02 ppm1      7.579 ppm2      3.911 CV     1
 OR {  730}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA1 ))
 ASSI {  732}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA2 ))
      3.200     1.300     1.300 peak   732 spectrum    1 weight  0.10000E+01 volume  0.20970E-02 ppm1      8.139 ppm2      3.884 CV     1
 OR {  732}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  735}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 73   and name HB  ))
      4.300     2.300     1.700 peak   735 spectrum    1 weight  0.10000E+01 volume  0.37436E-03 ppm1      7.712 ppm2      1.547 CV     1
 OR {  735}
   (( segid "    " and resid 83   and name HE21))
   (( segid "    " and resid 84   and name HG12))
 ASSI {  741}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB3 ))
      3.200     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.86741E-03 ppm1      7.531 ppm2      1.335 CV     1
 OR {  741}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG3 ))
 ASSI {  743}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      4.500     2.500     1.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.70613E-03 ppm1      7.231 ppm2      0.718 CV     1
 OR {  743}
   (  segid "    " and resid 28   and name HD% )
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {  747}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 10   and name HG2 ))
      3.000     1.100     1.100 peak   747 spectrum    1 weight  0.10000E+01 volume  0.36827E-02 ppm1      6.892 ppm2      1.644 CV     1
 OR {  747}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB3 ))
 OR {  747}
   (  segid "    " and resid 9    and name HE% )
   (( segid "    " and resid 10   and name HG3 ))
 ASSI {  750}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
      3.700     1.700     1.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      6.986 ppm2      3.924 CV     1
 OR {  750}
   (( segid "    " and resid 9    and name HZ  ))
   (( segid "    " and resid 76   and name HD2 ))
 ASSI {  752}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 62   and name HB2 ))
      6.000     6.000     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.94049E-05 ppm1      6.649 ppm2      3.121 CV     1
 OR {  752}
   (  segid "    " and resid 9    and name HD% )
   (( segid "    " and resid 7    and name HB3 ))
 ASSI {  757}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.600     1.500 peak   757 spectrum    1 weight  0.10000E+01 volume  0.42306E-03 ppm1      6.876 ppm2      5.357 CV     1
 OR {  757}
   (  segid "    " and resid 27   and name HD% )
   (( segid "    " and resid 57   and name HA  ))
 ASSI {  779}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.900     3.000     1.100 peak   779 spectrum    1 weight  0.10000E+01 volume  0.48393E-03 ppm1      8.891 ppm2      7.529 CV     1
 OR {  779}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HE3 ))
 ASSI {  824}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 9    and name HD% )
      3.800     1.800     1.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.10927E-02 ppm1      7.557 ppm2      6.644 CV     1
 OR {  824}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 9    and name HD% )
 ASSI {  836}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     2.800     3.200 peak   836 spectrum    1 weight  0.10000E+01 volume  0.76088E-02 ppm1      8.541 ppm2      8.376 CV     1
 OR {  836}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  837}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.100     1.100 peak   837 spectrum    1 weight  0.10000E+01 volume  0.20057E-02 ppm1      8.938 ppm2      8.194 CV     1
 OR {  837}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 62   and name HE1 ))
 ASSI {  847}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 83   and name HE22))
      4.300     2.300     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.32262E-03 ppm1      7.950 ppm2      6.660 CV     1
 OR {  847}
   (( segid "    " and resid 62   and name HD2 ))
   (  segid "    " and resid 9    and name HD% )
 ASSI {  860}
   (( segid "    " and resid 62   and name HE1 ))
   (  segid "    " and resid 9    and name HE% )
      4.200     2.200     1.800 peak   860 spectrum    1 weight  0.10000E+01 volume  0.55088E-03 ppm1      8.187 ppm2      6.897 CV     1
 OR {  860}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI {  879}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 51   and name HB  ))
      2.900     2.900     3.100 peak   879 spectrum    1 weight  0.10000E+01 volume  0.52350E-02 ppm1      3.248 ppm2      4.568 CV     1
 OR {  879}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 8    and name HA1 ))
 ASSI {  886}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.10409E-02 ppm1      4.204 ppm2      4.342 CV     1
 OR {  886}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  902}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HA  ))
      5.200     3.300     0.800 peak   902 spectrum    1 weight  0.10000E+01 volume  0.17714E-03 ppm1      3.102 ppm2      4.832 CV     1
 OR {  902}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  919}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.400     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.11779E-02 ppm1      2.937 ppm2      4.242 CV     1
 OR {  919}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  920}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      4.200     2.200     1.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.64220E-03 ppm1      2.537 ppm2      4.245 CV     1
 OR {  920}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  929}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.600     0.600 peak   929 spectrum    1 weight  0.10000E+01 volume  0.73047E-02 ppm1      2.398 ppm2      4.063 CV     1
 OR {  929}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 66   and name HA1 ))
 ASSI {  930}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   930 spectrum    1 weight  0.10000E+01 volume  0.18840E-02 ppm1      3.168 ppm2      4.050 CV     1
 OR {  930}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  940}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 4    and name HD2 ))
      1.600     0.300     0.600 peak   940 spectrum    1 weight  0.10000E+01 volume  0.26601E-01 ppm1      3.676 ppm2      3.834 CV     1
 OR {  940}
   (( segid "    " and resid 90   and name HD3 ))
   (( segid "    " and resid 90   and name HD2 ))
 ASSI {  951}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      4.700     2.800     1.300 peak   951 spectrum    1 weight  0.10000E+01 volume  0.60567E-03 ppm1      2.006 ppm2      5.033 CV     1
 OR {  951}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  955}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     3.000     3.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.34392E-02 ppm1      1.894 ppm2      5.026 CV     1
 OR {  955}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  960}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.18809E-02 ppm1      2.224 ppm2      4.833 CV     1
 OR {  960}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  963}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 75   and name HA  ))
      3.800     1.800     1.800 peak   963 spectrum    1 weight  0.10000E+01 volume  0.66655E-03 ppm1      1.502 ppm2      4.830 CV     1
 OR {  963}
   (( segid "    " and resid 47   and name HG3 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  966}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HA  ))
      3.700     1.700     1.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.13514E-02 ppm1      2.084 ppm2      4.731 CV     1
 OR {  966}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HA  ))
 OR {  966}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HA  ))
 ASSI {  971}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 88   and name HA  ))
      3.100     1.200     1.200 peak   971 spectrum    1 weight  0.10000E+01 volume  0.23557E-02 ppm1      1.713 ppm2      4.658 CV     1
 OR {  971}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 27   and name HA  ))
 OR {  971}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  977}
   (( segid "    " and resid 67   and name HG3 ))
   (( segid "    " and resid 67   and name HA  ))
      3.600     1.600     1.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      2.076 ppm2      4.605 CV     1
 OR {  977}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  978}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 48   and name HB  ))
      4.100     2.100     1.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.75784E-03 ppm1      1.991 ppm2      4.606 CV     1
 OR {  978}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  985}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 2    and name HA  ))
      3.900     1.900     1.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.14214E-02 ppm1      1.977 ppm2      4.507 CV     1
 OR {  985}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 21   and name HA  ))
 OR {  985}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 OR {  985}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
 ASSI {  986}
   (( segid "    " and resid 86   and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.51741E-02 ppm1      1.916 ppm2      4.495 CV     1
 OR {  986}
   (( segid "    " and resid 87   and name HB3 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  992}
   (( segid "    " and resid 90   and name HB3 ))
   (( segid "    " and resid 90   and name HA  ))
      2.900     1.000     1.000 peak   992 spectrum    1 weight  0.10000E+01 volume  0.24166E-02 ppm1      1.980 ppm2      4.429 CV     1
 OR {  992}
   (( segid "    " and resid 4    and name HG3 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  995}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.400     1.400 peak   995 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      0.485 ppm2      5.033 CV     1
 OR {  995}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  999}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HA  ))
      4.200     2.200     1.800 peak   999 spectrum    1 weight  0.10000E+01 volume  0.59046E-03 ppm1      1.256 ppm2      4.938 CV     1
 OR {  999}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 OR {  999}
   (( segid "    " and resid 73   and name HG13))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1000}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      4.800     2.900     1.200 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.33784E-03 ppm1      0.887 ppm2      4.933 CV     1
 OR { 1000}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1004}
   (  segid "    " and resid 80   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.49610E-02 ppm1      0.887 ppm2      4.660 CV     1
 OR { 1004}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 88   and name HA  ))
 ASSI { 1007}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      3.900     1.900     1.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.10835E-02 ppm1      0.631 ppm2      4.610 CV     1
 OR { 1007}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
 OR { 1007}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI { 1014}
   (  segid "    " and resid 86   and name HG2%)
   (( segid "    " and resid 86   and name HA  ))
      2.700     0.900     0.900 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.46262E-02 ppm1      0.912 ppm2      4.496 CV     1
 OR { 1014}
   (  segid "    " and resid 21   and name HD2%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI { 1018}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.54176E-02 ppm1      1.506 ppm2      4.312 CV     1
 OR { 1018}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 1024}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 71   and name HA1 ))
      3.200     1.300     1.300 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.12661E-02 ppm1      0.830 ppm2      4.295 CV     1
 OR { 1024}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HA  ))
 ASSI { 1027}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 43   and name HB  ))
      2.100     0.500     0.500 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.19205E-01 ppm1      1.292 ppm2      4.216 CV     1
 OR { 1027}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HB  ))
 OR { 1027}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 1029}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.700     0.900     0.900 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.43523E-02 ppm1      1.472 ppm2      4.203 CV     1
 OR { 1029}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HA  ))
 OR { 1029}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1035}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.24622E-02 ppm1      0.920 ppm2      4.136 CV     1
 OR { 1035}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
 OR { 1035}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1036}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.53567E-02 ppm1      0.782 ppm2      4.137 CV     1
 OR { 1036}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1037}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      4.100     2.100     1.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.74570E-03 ppm1      0.631 ppm2      4.135 CV     1
 OR { 1037}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1039}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.31653E-02 ppm1      1.388 ppm2      4.061 CV     1
 OR { 1039}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1043}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.000     1.100     1.100 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.28488E-02 ppm1      1.055 ppm2      4.058 CV     1
 OR { 1043}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1044}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.300     0.700     0.700 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.12326E-01 ppm1      0.989 ppm2      4.061 CV     1
 OR { 1044}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
 OR { 1044}
   (  segid "    " and resid 52   and name HG1%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1047}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
      4.300     2.300     1.700 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.67262E-03 ppm1      0.885 ppm2      4.063 CV     1
 OR { 1047}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 1047}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1048}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.52654E-02 ppm1      0.786 ppm2      4.058 CV     1
 OR { 1048}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1050}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 62   and name HA  ))
      3.300     1.400     1.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.19996E-02 ppm1      0.485 ppm2      3.960 CV     1
 OR { 1050}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HD2 ))
 ASSI { 1051}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.700     0.700 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.56002E-02 ppm1      1.482 ppm2      3.917 CV     1
 OR { 1051}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 OR { 1051}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 76   and name HD2 ))
 ASSI { 1052}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.76088E-02 ppm1      0.632 ppm2      3.918 CV     1
 OR { 1052}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1061}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
      2.900     1.100     1.100 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.51741E-02 ppm1      0.727 ppm2      3.853 CV     1
 OR { 1061}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 1065}
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.200     0.600     0.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.89175E-02 ppm1      2.007 ppm2      4.347 CV     1
 OR { 1065}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI { 1066}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
      4.200     2.200     1.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.31653E-03 ppm1      2.260 ppm2      4.329 CV     1
 OR { 1066}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI { 1068}
   (( segid "    " and resid 56   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
      2.300     0.700     0.700 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.73957E-02 ppm1      1.804 ppm2      4.301 CV     1
 OR { 1068}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
 OR { 1068}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1069}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.89788E-02 ppm1      1.647 ppm2      4.301 CV     1
 OR { 1069}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HA  ))
 OR { 1069}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI { 1073}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.89175E-02 ppm1      2.036 ppm2      4.239 CV     1
 OR { 1073}
   (( segid "    " and resid 80   and name HB  ))
   (( segid "    " and resid 80   and name HA  ))
 ASSI { 1075}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.700     0.700 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.89478E-02 ppm1      1.669 ppm2      4.205 CV     1
 OR { 1075}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1075}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1079}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      2.700     0.900     0.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.41089E-02 ppm1      2.340 ppm2      4.142 CV     1
 OR { 1079}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
 OR { 1079}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1080}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.92525E-02 ppm1      2.070 ppm2      4.137 CV     1
 OR { 1080}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1081}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.600     0.600 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.12996E-01 ppm1      1.736 ppm2      4.132 CV     1
 OR { 1081}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 82   and name HA  ))
 OR { 1081}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI { 1083}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     3.000     3.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.40175E-02 ppm1      1.805 ppm2      4.124 CV     1
 OR { 1083}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 49   and name HA  ))
 OR { 1083}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1085}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.56002E-02 ppm1      1.540 ppm2      4.065 CV     1
 OR { 1085}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
 OR { 1085}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1087}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.63611E-02 ppm1      1.837 ppm2      4.052 CV     1
 OR { 1087}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1089}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.34697E-02 ppm1      1.651 ppm2      4.054 CV     1
 OR { 1089}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 52   and name HA  ))
 OR { 1089}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
 OR { 1089}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1099}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HD2 ))
      2.400     0.700     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.35610E-02 ppm1      2.348 ppm2      3.928 CV     1
 OR { 1099}
   (( segid "    " and resid 64   and name HG2 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1100}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 76   and name HD2 ))
      2.400     0.700     0.700 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.74260E-02 ppm1      2.225 ppm2      3.927 CV     1
 OR { 1100}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 76   and name HD2 ))
 OR { 1100}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1101}
   (( segid "    " and resid 78   and name HB3 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.43827E-02 ppm1      1.913 ppm2      3.920 CV     1
 OR { 1101}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1103}
   (( segid "    " and resid 10   and name HG3 ))
   (( segid "    " and resid 45   and name HA  ))
      2.900     1.100     1.100 peak  1103 spectrum    1 weight  0.10000E+01 volume  0.46567E-02 ppm1      1.638 ppm2      3.864 CV     1
 OR { 1103}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 1103}
   (( segid "    " and resid 84   and name HB  ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI { 1104}
   (( segid "    " and resid 31   and name HD2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.100     0.500     0.500 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.13909E-01 ppm1      2.045 ppm2      3.849 CV     1
 OR { 1104}
   (( segid "    " and resid 90   and name HG2 ))
   (( segid "    " and resid 90   and name HD2 ))
 OR { 1104}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
 OR { 1104}
   (( segid "    " and resid 90   and name HG3 ))
   (( segid "    " and resid 90   and name HD2 ))
 ASSI { 1105}
   (( segid "    " and resid 31   and name HD3 ))
   (( segid "    " and resid 30   and name HA  ))
      2.100     0.500     0.500 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.10805E-01 ppm1      1.834 ppm2      3.852 CV     1
 OR { 1105}
   (( segid "    " and resid 10   and name HD3 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1108}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.30162E-02 ppm1      1.515 ppm2      3.846 CV     1
 OR { 1108}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 89   and name HD2 ))
 ASSI { 1115}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 8    and name HA2 ))
      2.900     1.000     1.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.27240E-02 ppm1      1.061 ppm2      3.612 CV     1
 OR { 1115}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 8    and name HA2 ))
 ASSI { 1120}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
      4.300     2.300     1.700 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      0.721 ppm2      3.489 CV     1
 OR { 1120}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
 OR { 1120}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 1150}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.300     0.700     0.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.63915E-02 ppm1      2.085 ppm2      3.632 CV     1
 OR { 1150}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 89   and name HD3 ))
 OR { 1150}
   (( segid "    " and resid 89   and name HG3 ))
   (( segid "    " and resid 89   and name HD3 ))
 ASSI { 1152}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.47480E-03 ppm1      2.113 ppm2      3.605 CV     1
 OR { 1152}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 8    and name HA2 ))
 ASSI { 1162}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD3 ))
      3.000     1.100     1.100 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.32262E-02 ppm1      2.011 ppm2      3.390 CV     1
 OR { 1162}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HD2 ))
 OR { 1162}
   (( segid "    " and resid 78   and name HB2 ))
   (( segid "    " and resid 78   and name HD3 ))
 ASSI { 1164}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HD2 ))
      2.400     0.700     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.56306E-02 ppm1      2.047 ppm2      3.327 CV     1
 OR { 1164}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HD3 ))
 OR { 1164}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI { 1168}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HD2 ))
      3.000     1.100     1.100 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.17014E-02 ppm1      1.547 ppm2      3.308 CV     1
 OR { 1168}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 40   and name HD3 ))
 ASSI { 1169}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD3 ))
      2.500     0.800     0.800 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.66958E-02 ppm1      1.891 ppm2      3.231 CV     1
 OR { 1169}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HD2 ))
 OR { 1169}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD3 ))
 OR { 1169}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HD2 ))
 ASSI { 1171}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HD2 ))
      2.000     0.500     0.500 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.21944E-01 ppm1      1.630 ppm2      3.230 CV     1
 OR { 1171}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HD2 ))
 OR { 1171}
   (( segid "    " and resid 29   and name HG3 ))
   (( segid "    " and resid 29   and name HD3 ))
 OR { 1171}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HD3 ))
 ASSI { 1173}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HD2 ))
      2.800     1.000     1.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.39262E-02 ppm1      1.830 ppm2      3.188 CV     1
 OR { 1173}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HD2 ))
 OR { 1173}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HD3 ))
 ASSI { 1177}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HA  ))
      2.300     0.600     0.600 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.71826E-02 ppm1      1.238 ppm2      3.106 CV     1
 OR { 1177}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB2 ))
 OR { 1177}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 OR { 1177}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 1180}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HE3 ))
      2.200     0.600     0.600 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.11291E-01 ppm1      1.660 ppm2      3.003 CV     1
 OR { 1180}
   (( segid "    " and resid 85   and name HD2 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 1180}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HE2 ))
 OR { 1180}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HE3 ))
 OR { 1180}
   (( segid "    " and resid 85   and name HD3 ))
   (( segid "    " and resid 85   and name HE2 ))
 ASSI { 1181}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HD3 ))
      3.000     1.100     1.100 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      1.527 ppm2      2.998 CV     1
 OR { 1181}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
 OR { 1181}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HE3 ))
 ASSI { 1184}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HD3 ))
      2.600     0.800     0.800 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.56915E-02 ppm1      1.336 ppm2      2.988 CV     1
 OR { 1184}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HD3 ))
 ASSI { 1190}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.900     1.100     1.100 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.34088E-02 ppm1      2.535 ppm2      3.123 CV     1
 OR { 1190}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
 OR { 1190}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI { 1201}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 81   and name HB3 ))
      3.300     1.400     1.400 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.22309E-02 ppm1      0.965 ppm2      2.223 CV     1
 OR { 1201}
   (  segid "    " and resid 75   and name HG1%)
   (( segid "    " and resid 76   and name HG3 ))
 OR { 1201}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 34   and name HB3 ))
 ASSI { 1202}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 81   and name HB3 ))
      3.300     1.400     1.400 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.28640E-02 ppm1      0.485 ppm2      2.229 CV     1
 OR { 1202}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 76   and name HG3 ))
 ASSI { 1203}
   (  segid "    " and resid 52   and name HG1%)
   (( segid "    " and resid 52   and name HB  ))
      2.400     0.700     0.700 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.58133E-02 ppm1      0.982 ppm2      2.125 CV     1
 OR { 1203}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 39   and name HB3 ))
 ASSI { 1209}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 31   and name HD2 ))
      2.800     0.900     0.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.39262E-02 ppm1      0.927 ppm2      2.044 CV     1
 OR { 1209}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 45   and name HB  ))
 ASSI { 1210}
   (  segid "    " and resid 80   and name HG1%)
   (( segid "    " and resid 80   and name HB  ))
      2.100     0.600     0.600 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.11140E-01 ppm1      0.879 ppm2      2.043 CV     1
 OR { 1210}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 40   and name HB3 ))
 OR { 1210}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB  ))
 ASSI { 1215}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 83   and name HB3 ))
      3.700     1.700     1.700 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.25535E-02 ppm1      0.485 ppm2      2.008 CV     1
 OR { 1215}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1218}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG12))
      2.100     0.500     0.500 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.11353E-01 ppm1      0.866 ppm2      1.919 CV     1
 OR { 1218}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB  ))
 OR { 1218}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1219}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 45   and name HG12))
      2.000     0.500     0.500 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.15857E-01 ppm1      0.780 ppm2      1.923 CV     1
 OR { 1219}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 1220}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.82176E-02 ppm1      0.634 ppm2      1.927 CV     1
 OR { 1220}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1220}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 45   and name HG12))
 ASSI { 1224}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 42   and name HG  ))
      2.400     0.700     0.700 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.55393E-02 ppm1      0.772 ppm2      1.851 CV     1
 OR { 1224}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 10   and name HD3 ))
 ASSI { 1228}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HG  ))
      2.000     0.500     0.500 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.20118E-01 ppm1      0.993 ppm2      1.808 CV     1
 OR { 1228}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HB  ))
 OR { 1228}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1229}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HB  ))
      2.200     0.600     0.600 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.11657E-01 ppm1      0.932 ppm2      1.815 CV     1
 OR { 1229}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
 ASSI { 1245}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 77   and name HB3 ))
      3.200     3.200     2.800 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.13392E-02 ppm1      1.440 ppm2      2.511 CV     1
 OR { 1245}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 77   and name HB3 ))
 OR { 1245}
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 76   and name HB2 ))
 OR { 1245}
   (( segid "    " and resid 13   and name HD3 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI { 1251}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.200     0.600     0.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.51436E-02 ppm1      1.530 ppm2      2.402 CV     1
 OR { 1251}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 1255}
   (( segid "    " and resid 64   and name HG3 ))
   (( segid "    " and resid 64   and name HG2 ))
      1.600     0.300     0.600 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.27118E-01 ppm1      2.229 ppm2      2.349 CV     1
 OR { 1255}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 76   and name HG2 ))
 ASSI { 1256}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
      1.700     0.300     0.500 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.25475E-01 ppm1      2.141 ppm2      2.339 CV     1
 OR { 1256}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HG2 ))
 OR { 1256}
   (( segid "    " and resid 64   and name HB3 ))
   (( segid "    " and resid 64   and name HG2 ))
 ASSI { 1259}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HG3 ))
      2.000     0.500     0.500 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.25444E-01 ppm1      1.972 ppm2      2.276 CV     1
 OR { 1259}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HG2 ))
 OR { 1259}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
 OR { 1259}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HG3 ))
 OR { 1259}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HG2 ))
 ASSI { 1262}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HB2 ))
      1.600     0.300     0.600 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.31653E-01 ppm1      2.076 ppm2      2.212 CV     1
 OR { 1262}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB3 ))
 ASSI { 1268}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.600     0.300     0.600 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.31349E-01 ppm1      1.760 ppm2      2.078 CV     1
 OR { 1268}
   (( segid "    " and resid 34   and name HG3 ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI { 1271}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HB2 ))
      1.700     0.400     0.500 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.18322E-01 ppm1      1.479 ppm2      1.993 CV     1
 OR { 1271}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HB2 ))
 ASSI { 1272}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 45   and name HG12))
      1.700     0.300     0.500 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.14487E-01 ppm1      1.213 ppm2      1.922 CV     1
 OR { 1272}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HB  ))
 ASSI { 1273}
   (( segid "    " and resid 37   and name HB3 ))
   (( segid "    " and resid 37   and name HB2 ))
      1.400     0.200     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.38958E-01 ppm1      1.356 ppm2      1.917 CV     1
 OR { 1273}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1274}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 37   and name HB2 ))
      2.400     0.700     0.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.42002E-02 ppm1      1.144 ppm2      1.916 CV     1
 OR { 1274}
   (  segid "    " and resid 37   and name HD1%)
   (( segid "    " and resid 86   and name HB  ))
 ASSI { 1275}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HB2 ))
      1.500     0.300     0.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.38349E-01 ppm1      1.634 ppm2      1.894 CV     1
 OR { 1275}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HB2 ))
 OR { 1275}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1276}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HB3 ))
      1.700     0.400     0.500 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.36219E-01 ppm1      1.505 ppm2      1.894 CV     1
 OR { 1276}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HB  ))
 OR { 1276}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 1277}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HB2 ))
      2.400     0.700     0.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.98614E-02 ppm1      1.250 ppm2      1.883 CV     1
 OR { 1277}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
 OR { 1277}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 1278}
   (( segid "    " and resid 33   and name HG3 ))
   (( segid "    " and resid 33   and name HB2 ))
      2.200     0.600     0.600 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.15249E-01 ppm1      1.471 ppm2      1.843 CV     1
 OR { 1278}
   (( segid "    " and resid 33   and name HG2 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR { 1278}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HG  ))
 ASSI { 1279}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.900     0.400     0.400 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.16252E-01 ppm1      1.332 ppm2      1.832 CV     1
 OR { 1279}
   (( segid "    " and resid 38   and name HG3 ))
   (( segid "    " and resid 30   and name HB  ))
 ASSI { 1280}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
      1.500     0.300     0.700 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.45349E-01 ppm1      1.655 ppm2      1.815 CV     1
 OR { 1280}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HB2 ))
 OR { 1280}
   (( segid "    " and resid 19   and name HG2 ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI { 1282}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 78   and name HG2 ))
      3.000     1.100     1.100 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.39566E-02 ppm1      1.303 ppm2      1.731 CV     1
 OR { 1282}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 35   and name HB2 ))
 OR { 1282}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 35   and name HB3 ))
 ASSI { 1285}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG13))
      2.100     0.600     0.600 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.11840E-01 ppm1      1.253 ppm2      1.662 CV     1
 OR { 1285}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR { 1285}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 1286}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 58   and name HG13))
      2.700     0.900     0.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.35306E-02 ppm1      1.058 ppm2      1.663 CV     1
 OR { 1286}
   (  segid "    " and resid 56   and name HD1%)
   (( segid "    " and resid 56   and name HB3 ))
 ASSI { 1287}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HB2 ))
      1.300     0.200     0.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.97697E-01 ppm1      1.521 ppm2      1.646 CV     1
 OR { 1287}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HG12))
 OR { 1287}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HD3 ))
 OR { 1287}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HB3 ))
 ASSI { 1288}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 84   and name HB  ))
      2.200     2.200     3.800 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.84610E-02 ppm1      1.200 ppm2      1.638 CV     1
 OR { 1288}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 85   and name HB3 ))
 OR { 1288}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 30   and name HG12))
 OR { 1288}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 30   and name HG12))
 OR { 1288}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 88   and name HB2 ))
 OR { 1288}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 85   and name HD2 ))
 ASSI { 1291}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
      1.700     0.400     0.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.53263E-01 ppm1      1.014 ppm2      1.664 CV     1
 OR { 1291}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HG  ))
 ASSI { 1292}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
      1.500     0.300     0.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.95566E-01 ppm1      0.993 ppm2      1.665 CV     1
 OR { 1292}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HG  ))
 OR { 1292}
   (  segid "    " and resid 56   and name HD2%)
   (( segid "    " and resid 56   and name HB3 ))
 ASSI { 1294}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 10   and name HG3 ))
      3.900     1.900     1.900 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.37132E-03 ppm1      0.787 ppm2      1.644 CV     1
 OR { 1294}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 10   and name HG2 ))
 OR { 1294}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 56   and name HB3 ))
 OR { 1294}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 30   and name HG12))
 OR { 1294}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
 OR { 1294}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 85   and name HB3 ))
 ASSI { 1296}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HG2 ))
      1.700     0.400     0.500 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.25535E-01 ppm1      0.884 ppm2      1.538 CV     1
 OR { 1296}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HG12))
 OR { 1296}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 OR { 1296}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 88   and name HB3 ))
 OR { 1296}
   (  segid "    " and resid 84   and name HG2%)
   (( segid "    " and resid 84   and name HG12))
 ASSI { 1297}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HG12))
      1.900     0.400     0.400 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.27362E-01 ppm1      0.827 ppm2      1.548 CV     1
 OR { 1297}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 73   and name HB  ))
 ASSI { 1298}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HB3 ))
      2.700     0.900     0.900 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.11078E-01 ppm1      0.921 ppm2      1.518 CV     1
 OR { 1298}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HG13))
 OR { 1298}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 38   and name HG2 ))
 ASSI { 1299}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 44   and name HB% )
      2.000     0.500     0.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.18657E-01 ppm1      0.785 ppm2      1.505 CV     1
 OR { 1299}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 44   and name HB% )
 OR { 1299}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 47   and name HG3 ))
 ASSI { 1302}
   (  segid "    " and resid 75   and name HG2%)
   (( segid "    " and resid 78   and name HG3 ))
      2.900     1.000     1.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.25140E-02 ppm1      0.485 ppm2      1.497 CV     1
 OR { 1302}
   (  segid "    " and resid 75   and name HG2%)
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1304}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 86   and name HG12))
      1.500     0.300     0.700 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.23892E-01 ppm1      1.215 ppm2      1.411 CV     1
 OR { 1304}
   (( segid "    " and resid 74   and name HB3 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI { 1305}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 86   and name HG12))
      2.400     0.700     0.700 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.52654E-02 ppm1      0.887 ppm2      1.404 CV     1
 OR { 1305}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HD3 ))
 ASSI { 1316}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 73   and name HG13))
      2.200     0.600     0.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.65133E-02 ppm1      0.876 ppm2      1.233 CV     1
 OR { 1316}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HB3 ))
 OR { 1316}
   (( segid "    " and resid 74   and name HG3 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1316}
   (  segid "    " and resid 73   and name HD1%)
   (( segid "    " and resid 86   and name HG13))
 ASSI { 1317}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 73   and name HG13))
      2.900     1.000     1.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.58741E-02 ppm1      0.788 ppm2      1.237 CV     1
 OR { 1317}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
 OR { 1317}
   (  segid "    " and resid 73   and name HG2%)
   (( segid "    " and resid 74   and name HB3 ))
 ASSI { 1320}
   (  segid "    " and resid 42   and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
      4.100     2.100     1.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.90395E-03 ppm1      0.637 ppm2      1.175 CV     1
 OR { 1320}
   (  segid "    " and resid 42   and name HD2%)
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 1329}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      1.800     0.400     0.400 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.64220E-01 ppm1      0.792 ppm2      0.880 CV     1
 OR { 1329}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 73   and name HD1%)
 OR { 1329}
   (  segid "    " and resid 73   and name HG2%)
   (  segid "    " and resid 84   and name HG2%)
 ASSI { 1334}
   (( segid "    " and resid 76   and name HG3 ))
   (( segid "    " and resid 76   and name HD3 ))
      2.400     0.700     0.700 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.55393E-02 ppm1      2.223 ppm2      3.714 CV     1
 OR { 1334}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 76   and name HD3 ))
 ASSI { 1336}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HD3 ))
      3.300     1.400     1.400 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.14122E-02 ppm1      2.398 ppm2      3.610 CV     1
 OR { 1336}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1338}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.63002E-03 ppm1      7.955 ppm2      3.969 CV     1
 OR { 1338}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HA  ))
 ASSI { 1353}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.30740E-02 ppm1      1.486 ppm2      3.976 CV     1
 OR { 1353}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1354}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.31045E-02 ppm1      1.543 ppm2      4.134 CV     1
 OR { 1354}
   (( segid "    " and resid 73   and name HG12))
   (( segid "    " and resid 41   and name HA  ))
 OR { 1354}
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 41   and name HA  ))
 ASSI { 1368}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 39   and name HG2 ))
      4.100     2.100     1.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.61784E-03 ppm1      1.005 ppm2      2.589 CV     1
 OR { 1368}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 27   and name HB3 ))
 OR { 1368}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 1370}
   (( segid "    " and resid 73   and name HG13))
   (( segid "    " and resid 74   and name HD2 ))
      3.600     1.600     1.600 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.20544E-02 ppm1      1.252 ppm2      2.400 CV     1
 OR { 1370}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 1371}
   (( segid "    " and resid 45   and name HG13))
   (( segid "    " and resid 74   and name HD2 ))
      3.300     3.300     2.700 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.29340E-02 ppm1      1.190 ppm2      2.392 CV     1
 OR { 1371}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI { 1375}
   (( segid "    " and resid 78   and name HG3 ))
   (( segid "    " and resid 78   and name HG2 ))
      1.800     0.400     0.400 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.18535E-01 ppm1      1.484 ppm2      1.720 CV     1
 OR { 1375}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HB2 ))
 OR { 1375}
   (( segid "    " and resid 69   and name HG3 ))
   (( segid "    " and resid 69   and name HD2 ))
 OR { 1375}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HB3 ))
 ASSI { 1377}
   (( segid "    " and resid 73   and name HG13))
   (( segid "    " and resid 72   and name HA  ))
      6.000     6.000     0.000 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.49001E-06 ppm1      1.229 ppm2      4.928 CV     1
 OR { 1377}
   (( segid "    " and resid 86   and name HG13))
   (( segid "    " and resid 72   and name HA  ))
 ASSI { 1382}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HD3 ))
      2.400     0.700     0.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.72130E-02 ppm1      1.580 ppm2      2.985 CV     1
 OR { 1382}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD3 ))
 ASSI { 1385}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
      2.900     1.100     1.100 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.19783E-02 ppm1      5.347 ppm2      1.694 CV     1
 OR { 1385}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG13))
 ASSI { 1389}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     1.700     1.700 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.68482E-03 ppm1      5.352 ppm2      2.484 CV     1
 OR { 1389}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 1391}
   (( segid "    " and resid 27   and name HZ  ))
   (( segid "    " and resid 5    and name HB  ))
      3.400     1.400     1.400 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.10105E-02 ppm1      7.174 ppm2      3.397 CV     1
 OR { 1391}
   (( segid "    " and resid 27   and name HZ  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {    4}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 30   and name HD1%)
      3.000     1.100     1.100 peak     4 spectrum    1 weight  0.10000E+01 volume  0.54539E-02 ppm1      4.297 ppm2      1.028 CV     1
 OR {    4}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
 ASSI {    9}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
      3.300     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17690E-02 ppm1      4.931 ppm2      1.633 CV     1
 OR {    9}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 84   and name HB  ))
 ASSI {   23}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB3 ))
      1.900     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.29562E-01 ppm1      4.566 ppm2      1.756 CV     1
 OR {   23}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG2 ))
 ASSI {   28}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
      3.300     1.400     1.400 peak    28 spectrum    1 weight  0.10000E+01 volume  0.24155E-02 ppm1      5.045 ppm2      1.532 CV     1
 OR {   28}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
 ASSI {   29}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
      3.500     1.500     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      5.054 ppm2      1.253 CV     1
 OR {   29}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 73   and name HG13))
 ASSI {   30}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      2.900     1.000     1.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.21980E-02 ppm1      5.049 ppm2      0.898 CV     1
 OR {   30}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 84   and name HG2%)
 ASSI {   81}
   (( segid "    " and resid 4    and name HD3 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.900     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.15868E-01 ppm1      3.677 ppm2      2.027 CV     1
 OR {   81}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {   84}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 81   and name HB3 ))
      2.200     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.86978E-02 ppm1      3.916 ppm2      2.227 CV     1
 OR {   84}
   (( segid "    " and resid 76   and name HD2 ))
   (( segid "    " and resid 76   and name HG3 ))
 ASSI {   87}
   (( segid "    " and resid 90   and name HD2 ))
   (( segid "    " and resid 89   and name HB2 ))
      3.100     1.200     1.200 peak    87 spectrum    1 weight  0.10000E+01 volume  0.23802E-02 ppm1      3.823 ppm2      2.384 CV     1
 OR {   87}
   (( segid "    " and resid 89   and name HD2 ))
   (( segid "    " and resid 89   and name HB2 ))
 ASSI {  106}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HG12))
      2.700     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.62296E-02 ppm1      4.133 ppm2      1.504 CV     1
 OR {  106}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  111}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD2%)
      2.500     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.90507E-02 ppm1      4.057 ppm2      0.976 CV     1
 OR {  111}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG1%)
 OR {  111}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  121}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      3.300     1.300     1.300 peak   121 spectrum    1 weight  0.10000E+01 volume  0.23743E-02 ppm1      4.376 ppm2      3.166 CV     1
 OR {  121}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  164}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HD1%)
      4.300     2.300     1.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.12165E-02 ppm1      3.913 ppm2      0.781 CV     1
 OR {  164}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HG2%)
 ASSI {  187}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      3.200     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.23743E-02 ppm1      4.591 ppm2      1.659 CV     1
 OR {  187}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {  187}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HG2 ))
 ASSI {  203}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG13))
      2.700     0.900     0.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.20394E-02 ppm1      4.053 ppm2      1.233 CV     1
 OR {  203}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HB3 ))
 ASSI {  223}
   (( segid "    " and resid 43   and name HB  ))
   (  segid "    " and resid 43   and name HG2%)
      2.000     0.500     0.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.20981E-01 ppm1      4.207 ppm2      1.294 CV     1
 OR {  223}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 79   and name HG2%)
 ASSI {  235}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      3.400     1.400     1.400 peak   235 spectrum    1 weight  0.10000E+01 volume  0.28386E-02 ppm1      1.259 ppm2      1.880 CV     1
 OR {  235}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  239}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 45   and name HG2%)
      5.800     4.200     0.200 peak   239 spectrum    1 weight  0.10000E+01 volume  0.91094E-04 ppm1      1.264 ppm2      0.790 CV     1
 OR {  239}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 73   and name HG2%)
 ASSI {  248}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 38   and name HG3 ))
      2.500     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.38083E-02 ppm1      0.967 ppm2      1.308 CV     1
 OR {  248}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HG13))
 ASSI {  267}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 58   and name HG13))
      2.800     1.000     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.34909E-02 ppm1      0.793 ppm2      1.660 CV     1
 OR {  267}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 10   and name HG3 ))
 OR {  267}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 56   and name HB3 ))
 ASSI {  269}
   (  segid "    " and resid 45   and name HG2%)
   (( segid "    " and resid 74   and name HG3 ))
      3.200     1.300     1.300 peak   269 spectrum    1 weight  0.10000E+01 volume  0.35380E-02 ppm1      0.786 ppm2      0.910 CV     1
 OR {  269}
   (  segid "    " and resid 45   and name HG2%)
   (  segid "    " and resid 52   and name HG2%)
 ASSI {  273}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 41   and name HE3 ))
      3.500     1.600     1.600 peak   273 spectrum    1 weight  0.10000E+01 volume  0.20394E-02 ppm1      1.015 ppm2      7.538 CV     1
 OR {  273}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  282}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 9    and name HB3 ))
      4.000     2.000     2.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.23038E-02 ppm1      1.046 ppm2      2.412 CV     1
 OR {  282}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  296}
   (( segid "    " and resid 71   and name HA1 ))
   (  segid "    " and resid 88   and name HD2%)
      3.500     1.500     1.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.16280E-02 ppm1      4.307 ppm2      0.904 CV     1
 OR {  296}
   (( segid "    " and resid 71   and name HA1 ))
   (  segid "    " and resid 88   and name HD1%)
 OR {  296}
   (( segid "    " and resid 71   and name HA1 ))
   (  segid "    " and resid 84   and name HG2%)
 ASSI {  308}
   (( segid "    " and resid 19   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.900     1.000     1.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.51953E-02 ppm1      3.221 ppm2      1.796 CV     1
 OR {  308}
   (( segid "    " and resid 19   and name HD3 ))
   (( segid "    " and resid 19   and name HB3 ))
 OR {  308}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 56   and name HG  ))
 ASSI {  310}
   (( segid "    " and resid 38   and name HD2 ))
   (( segid "    " and resid 38   and name HB3 ))
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.16456E-01 ppm1      3.201 ppm2      1.364 CV     1
 OR {  310}
   (( segid "    " and resid 47   and name HD2 ))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI {  311}
   (( segid "    " and resid 47   and name HD3 ))
   (  segid "    " and resid 56   and name HD2%)
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.79340E-02 ppm1      2.977 ppm2      0.976 CV     1
 OR {  311}
   (( segid "    " and resid 47   and name HD3 ))
   (  segid "    " and resid 52   and name HG1%)
 ASSI {  318}
   (( segid "    " and resid 47   and name HD3 ))
   (( segid "    " and resid 47   and name HG3 ))
      2.500     0.800     0.800 peak   318 spectrum    1 weight  0.10000E+01 volume  0.64059E-02 ppm1      2.971 ppm2      1.513 CV     1
 OR {  318}
   (( segid "    " and resid 38   and name HD3 ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  320}
   (( segid "    " and resid 85   and name HE2 ))
   (( segid "    " and resid 85   and name HG2 ))
      2.400     0.700     0.700 peak   320 spectrum    1 weight  0.10000E+01 volume  0.84043E-02 ppm1      2.993 ppm2      1.524 CV     1
 OR {  320}
   (( segid "    " and resid 69   and name HE3 ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI {  322}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.36555E-02 ppm1      2.914 ppm2      5.043 CV     1
 OR {  322}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI {  330}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 43   and name HB  ))
      3.600     1.600     1.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.14105E-02 ppm1      3.324 ppm2      4.199 CV     1
 OR {  330}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 43   and name HB  ))
 OR {  330}
   (( segid "    " and resid 40   and name HD3 ))
   (( segid "    " and resid 37   and name HA  ))
 OR {  330}
   (( segid "    " and resid 40   and name HD2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  333}
   (( segid "    " and resid 40   and name HD3 ))
   (  segid "    " and resid 73   and name HD1%)
      2.900     1.000     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.32911E-02 ppm1      3.324 ppm2      0.886 CV     1
 OR {  333}
   (( segid "    " and resid 40   and name HD2 ))
   (  segid "    " and resid 73   and name HD1%)
 OR {  333}
   (( segid "    " and resid 40   and name HD2 ))
   (  segid "    " and resid 84   and name HG2%)
 ASSI {  410}
   (( segid "    " and resid 84   and name HB  ))
   (  segid "    " and resid 84   and name HG2%)
      2.100     0.600     0.600 peak   410 spectrum    1 weight  0.10000E+01 volume  0.11166E-01 ppm1      1.630 ppm2      0.882 CV     1
 OR {  410}
   (( segid "    " and resid 84   and name HB  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  419}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 45   and name HG12))
      2.600     0.800     0.800 peak   419 spectrum    1 weight  0.10000E+01 volume  0.40493E-02 ppm1      2.050 ppm2      1.922 CV     1
 OR {  419}
   (( segid "    " and resid 45   and name HB  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI {  459}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HA  ))
      2.900     1.000     1.000 peak   459 spectrum    1 weight  0.10000E+01 volume  0.33029E-02 ppm1      2.446 ppm2      3.994 CV     1
 OR {  459}
   (( segid "    " and resid 55   and name HG3 ))
   (( segid "    " and resid 54   and name HB3 ))
 ASSI {  460}
   (( segid "    " and resid 83   and name HG2 ))
   (( segid "    " and resid 83   and name HG3 ))
      1.400     0.200     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.73462E-01 ppm1      2.471 ppm2      2.134 CV     1
 OR {  460}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HB3 ))
 ASSI {  464}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 37   and name HD2%)
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.59358E-02 ppm1      2.014 ppm2      1.002 CV     1
 OR {  464}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HG2 ))
 ASSI {  516}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HG13))
      1.700     0.300     0.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17337E-01 ppm1      1.488 ppm2      1.308 CV     1
 OR {  516}
   (( segid "    " and resid 38   and name HG2 ))
   (( segid "    " and resid 38   and name HG3 ))
 ASSI {  520}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 31   and name HG3 ))
      2.300     0.600     0.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.35674E-02 ppm1      1.374 ppm2      0.723 CV     1
 OR {  520}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {  526}
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
      2.600     0.900     0.900 peak   526 spectrum    1 weight  0.10000E+01 volume  0.35203E-02 ppm1      3.126 ppm2      1.239 CV     1
 OR {  526}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 74   and name HB3 ))
 OR {  526}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  541}
   (( segid "    " and resid 15   and name HG2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     1.100     1.100 peak   541 spectrum    1 weight  0.10000E+01 volume  0.47898E-02 ppm1      1.876 ppm2      4.352 CV     1
 OR {  541}
   (( segid "    " and resid 15   and name HG3 ))
   (( segid "    " and resid 15   and name HA  ))
 OR {  541}
   (( segid "    " and resid 40   and name HG3 ))
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  543}
   (( segid "    " and resid 78   and name HG2 ))
   (( segid "    " and resid 78   and name HG3 ))
      1.600     0.300     0.600 peak   543 spectrum    1 weight  0.10000E+01 volume  0.29502E-01 ppm1      1.730 ppm2      1.512 CV     1
 OR {  543}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI {  551}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 38   and name HB2 ))
      2.800     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.41021E-02 ppm1      0.992 ppm2      1.821 CV     1
 OR {  551}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 38   and name HB2 ))
 OR {  551}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 30   and name HB  ))
 ASSI {  553}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HG3 ))
      1.700     0.400     0.500 peak   553 spectrum    1 weight  0.10000E+01 volume  0.11813E-01 ppm1      0.987 ppm2      0.724 CV     1
 OR {  553}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 31   and name HG3 ))
 ASSI {  554}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 38   and name HA  ))
      4.200     2.200     1.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.13106E-02 ppm1      0.726 ppm2      3.489 CV     1
 OR {  554}
   (( segid "    " and resid 31   and name HG3 ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {  569}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
      3.700     1.700     1.700 peak   569 spectrum    1 weight  0.10000E+01 volume  0.12342E-02 ppm1      0.778 ppm2      1.335 CV     1
 OR {  569}
   (  segid "    " and resid 42   and name HD1%)
   (( segid "    " and resid 38   and name HG3 ))
 ASSI {  601}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak   601 spectrum    1 weight  0.10000E+01 volume  0.64647E-03 ppm1      0.631 ppm2      4.602 CV     1
 OR {  601}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  603}
   (  segid "    " and resid 42   and name HD2%)
   (( segid "    " and resid 52   and name HB  ))
      2.700     0.900     0.900 peak   603 spectrum    1 weight  0.10000E+01 volume  0.75811E-02 ppm1      0.640 ppm2      2.124 CV     1
 OR {  603}
   (( segid "    " and resid 68   and name HG3 ))
   (( segid "    " and resid 68   and name HE3 ))
 ASSI {  645}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HB3 ))
      3.100     1.200     1.200 peak   645 spectrum    1 weight  0.10000E+01 volume  0.19982E-02 ppm1      1.392 ppm2      1.232 CV     1
 OR {  645}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR {  645}
   (( segid "    " and resid 74   and name HD3 ))
   (( segid "    " and resid 73   and name HG13))
 ASSI {  661}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 59   and name HB2 ))
      4.100     2.100     1.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.90507E-03 ppm1      3.115 ppm2      2.852 CV     1
 OR {  661}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  663}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 25   and name HD2 ))
      3.300     1.300     1.300 peak   663 spectrum    1 weight  0.10000E+01 volume  0.24037E-02 ppm1      2.849 ppm2      3.124 CV     1
 OR {  663}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  702}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 13   and name HD3 ))
      3.300     1.400     1.400 peak   702 spectrum    1 weight  0.10000E+01 volume  0.15515E-02 ppm1      7.105 ppm2      1.436 CV     1
 OR {  702}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 13   and name HD2 ))
 OR {  702}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  737}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 31   and name HG2 ))
      4.000     2.000     2.000 peak   737 spectrum    1 weight  0.10000E+01 volume  0.73462E-03 ppm1      7.604 ppm2      1.004 CV     1
 OR {  737}
   (( segid "    " and resid 41   and name HD1 ))
   (  segid "    " and resid 37   and name HD2%)
 ASSI {  751}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HA  ))
      4.300     2.300     1.700 peak   751 spectrum    1 weight  0.10000E+01 volume  0.59946E-03 ppm1      7.524 ppm2      4.135 CV     1
 OR {  751}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  753}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.300     1.300     1.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.17631E-02 ppm1      7.526 ppm2      3.586 CV     1
 OR {  753}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB2 ))
 ASSI {  754}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.700     0.900     0.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.30619E-02 ppm1      7.528 ppm2      3.124 CV     1
 OR {  754}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
 ASSI {  757}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 30   and name HG13))
      3.700     1.700     1.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.16397E-02 ppm1      7.527 ppm2      1.515 CV     1
 OR {  757}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 74   and name HG2 ))
 OR {  757}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG2 ))
 ASSI {  764}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 58   and name HD1%)
      4.100     2.100     1.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.13929E-02 ppm1      7.028 ppm2      1.026 CV     1
 OR {  764}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 30   and name HD1%)
 ASSI {  773}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     1.400     1.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.88746E-03 ppm1      8.191 ppm2      3.166 CV     1
 OR {  773}
   (( segid "    " and resid 62   and name HE1 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  803}
   (( segid "    " and resid 9    and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     2.000     2.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.20334E-02 ppm1      2.400 ppm2      1.258 CV     1
 OR {  803}
   (( segid "    " and resid 63   and name HB3 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  820}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 56   and name HD2%)
      3.500     1.500     1.500 peak   820 spectrum    1 weight  0.10000E+01 volume  0.15927E-02 ppm1      1.354 ppm2      0.980 CV     1
 OR {  820}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 52   and name HG1%)
 ASSI {  824}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.300     1.400     1.400 peak   824 spectrum    1 weight  0.10000E+01 volume  0.21451E-02 ppm1      2.534 ppm2      3.131 CV     1
 OR {  824}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {  844}
   (( segid "    " and resid 76   and name HG3 ))
   (  segid "    " and resid 9    and name HE% )
      3.300     1.400     1.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.19394E-02 ppm1      2.231 ppm2      6.895 CV     1
 OR {  844}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HE22))
 ASSI {  868}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HD3 ))
      4.000     2.000     2.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.46957E-03 ppm1      4.052 ppm2      1.829 CV     1
 OR {  868}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
 ASSI {  878}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 31   and name HD2 ))
      3.600     1.600     1.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.65235E-03 ppm1      3.479 ppm2      2.045 CV     1
 OR {  878}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
 ASSI {  907}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      3.600     1.700     1.700 peak   907 spectrum    1 weight  0.10000E+01 volume  0.26799E-02 ppm1      4.053 ppm2      0.896 CV     1
 OR {  907}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 74   and name HG3 ))
 ASSI {  931}
   (( segid "    " and resid 34   and name HD3 ))
   (  segid "    " and resid 88   and name HD1%)
      3.600     1.600     1.600 peak   931 spectrum    1 weight  0.10000E+01 volume  0.66411E-03 ppm1      3.539 ppm2      0.914 CV     1
 OR {  931}
   (( segid "    " and resid 34   and name HD3 ))
   (  segid "    " and resid 86   and name HG2%)
 ASSI {  961}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HD2 ))
      2.100     0.500     0.500 peak   961 spectrum    1 weight  0.10000E+01 volume  0.93442E-02 ppm1      0.990 ppm2      2.032 CV     1
 OR {  961}
   (  segid "    " and resid 37   and name HD2%)
   (( segid "    " and resid 31   and name HB2 ))
 OR {  961}
   (( segid "    " and resid 31   and name HG2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI {  966}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.600     1.700     1.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.17161E-02 ppm1      4.943 ppm2      3.125 CV     1
 OR {  966}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
 ASSI {  976}
   (( segid "    " and resid 69   and name HD2 ))
   (( segid "    " and resid 69   and name HG3 ))
      1.600     0.300     0.600 peak   976 spectrum    1 weight  0.10000E+01 volume  0.76991E-01 ppm1      1.685 ppm2      1.451 CV     1
 OR {  976}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR {  976}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HG2 ))
 OR {  976}
   (( segid "    " and resid 69   and name HD3 ))
   (( segid "    " and resid 69   and name HG3 ))


VARS   RESID RESNAME PHI PSI DPHI DPSI DIST COUNT CLASS
FORMAT %4d %s %8.3f %8.3f %8.3f %8.3f %8.3f %2d %s

   3 M -100.000  147.000   35.000   25.000   53.080  9 Good
   7 C  -69.000  133.000   15.000   11.000   42.320  9 Good
  13 K  -68.000  -27.000    9.000   17.000   45.150 10 Good
  15 R  -65.000  -38.000   12.000   11.000   32.150 10 Good
  16 S  -69.000  -28.000   13.000   20.000   29.930 10 Good
  17 R  -82.000  -12.000   19.000   25.000   29.990  9 Good
  27 F -111.000  135.000   21.000   17.000   34.100  9 Good
  34 P  -85.000  153.000   26.000   21.000   53.060 10 Good
  35 L  -58.000  -37.000    3.000   11.000   44.610 10 Good
  36 I  -68.000  -34.000    8.000   11.000   36.840 10 Good
  37 L  -64.000  -39.000    5.000    7.000   36.030 10 Good
  38 R  -62.000  -45.000    7.000    7.000   29.880 10 Good
  39 Q  -60.000  -41.000    3.000    6.000   29.680 10 Good
  40 R  -66.000  -39.000    4.000    6.000   29.580 10 Good
  41 W  -66.000  -42.000   10.000    9.000   30.850 10 Good
  42 L  -63.000  -39.000    7.000    9.000   29.770 10 Good
  43 T  -67.000  -41.000    8.000    4.000   28.970 10 Good
  44 A  -68.000  -29.000    9.000   10.000   38.550 10 Good
  45 I -100.000   -1.000   18.000   11.000   36.190 10 Good
  46 G   76.000   21.000   13.000   19.000   39.880  9 Good
  47 R -104.000  160.000   22.000   20.000   35.820 10 Good
  48 T  -97.000  163.000   23.000   11.000   38.330 10 Good
  49 E  -63.000  -31.000   12.000   14.000   34.820 10 Good
  50 E  -74.000  -28.000   13.000   13.000   30.740 10 Good
  51 T -104.000   -8.000   18.000   15.000   33.620 10 Good
  55 Q  -89.000  -15.000   14.000   13.000   36.990 10 Good
  57 R -123.000  132.000   11.000   18.000   43.500 10 Good
  58 I -124.000  124.000   14.000   11.000   46.120 10 Good
  67 E -123.000  137.000   31.000   28.000   40.530  9 Good
  68 K  -91.000  120.000   24.000   17.000   43.290 10 Good
  73 I -104.000  134.000   27.000   25.000   59.040  9 Good
  75 V -123.000  152.000   13.000   16.000   64.670  9 Good
  79 T  -85.000  -22.000   21.000   13.000   43.200  9 Good
  84 I  -98.000  127.000   15.000   14.000   34.710  9 Good
  85 K -100.000  138.000   19.000    9.000   34.420 10 Good
  86 I -128.000  143.000   33.000   18.000   34.970  9 Good
  87 E  -86.000  127.000   14.000   13.000   33.370  9 Good
  88 L -100.000  130.000   21.000   28.000   47.330 10 Good
  89 P  -72.000  137.000   20.000    7.000   56.220  9 Good

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          H1        GLY   1   7.777  -7.317  11.285
    2   2H    GLY   1          H2        GLY   1   8.265  -8.268  12.600
    3   3H    GLY   1          H3        GLY   1   6.636  -8.232  12.142
    4   1HA   GLY   1          HA2       GLY   1   7.137 -10.142  11.106
    5   2HA   GLY   1          HA1       GLY   1   7.689  -9.035   9.855
    6    H    SER   2           HN       SER   2   8.613 -11.739  10.499
    7    HA   SER   2           HA       SER   2  11.302 -11.272  11.547
    8   1HB   SER   2          HB2       SER   2  10.941 -13.988  10.821
    9   2HB   SER   2          HB3       SER   2  10.992 -13.299  12.445
   10    HG   SER   2           HG       SER   2   8.953 -14.455  11.330
   11    H    MET   3           HN       MET   3   9.601 -12.021   8.603
   12    HA   MET   3           HA       MET   3  12.067 -12.700   7.193
   13   1HB   MET   3          HB2       MET   3  10.252 -14.127   6.636
   14   2HB   MET   3          HB3       MET   3   9.144 -12.775   6.453
   15   1HG   MET   3          HG2       MET   3   9.495 -13.046   4.269
   16   2HG   MET   3          HG3       MET   3  11.011 -12.196   4.564
   17   1HE   MET   3          HE1       MET   3   9.171 -15.353   4.683
   18   2HE   MET   3          HE2       MET   3   9.957 -16.263   3.392
   19   3HE   MET   3          HE3       MET   3  10.410 -16.544   5.074
   20    HA   PRO   4           HA       PRO   4  12.811  -8.567   5.621
   21   1HB   PRO   4          HB2       PRO   4  13.780  -9.494   3.152
   22   2HB   PRO   4          HB3       PRO   4  14.748  -9.138   4.583
   23   1HG   PRO   4          HG2       PRO   4  13.731 -11.750   3.584
   24   2HG   PRO   4          HG3       PRO   4  15.250 -11.377   4.418
   25   1HD   PRO   4          HD2       PRO   4  13.230 -12.584   5.693
   26   2HD   PRO   4          HD3       PRO   4  14.242 -11.375   6.515
   27    H    THR   5           HN       THR   5  10.874  -7.659   5.217
   28    HA   THR   5           HA       THR   5   8.966  -8.896   3.483
   29    HB   THR   5           HB       THR   5   8.398  -6.165   4.381
   30    HG1  THR   5           HG1      THR   5   9.125  -8.226   6.217
   31   1HG2  THR   5          HG21      THR   5   6.981  -8.459   3.720
   32   2HG2  THR   5          HG22      THR   5   6.316  -6.990   4.434
   33   3HG2  THR   5          HG23      THR   5   6.799  -8.334   5.470
   34    H    THR   6           HN       THR   6   8.815  -8.616   1.391
   35    HA   THR   6           HA       THR   6   9.768  -6.119   0.182
   36    HB   THR   6           HB       THR   6   8.969  -8.152  -1.718
   37    HG1  THR   6           HG1      THR   6  11.238  -9.109  -0.506
   38   1HG2  THR   6          HG21      THR   6  11.447  -7.872  -2.332
   39   2HG2  THR   6          HG22      THR   6  11.488  -6.638  -1.073
   40   3HG2  THR   6          HG23      THR   6  10.412  -6.450  -2.459
   41    H    CYS   7           HN       CYS   7   8.261  -4.674  -0.374
   42    HA   CYS   7           HA       CYS   7   5.497  -5.310  -0.268
   43   1HB   CYS   7          HB2       CYS   7   5.123  -3.083  -0.268
   44   2HB   CYS   7          HB3       CYS   7   6.836  -3.018   0.111
   45    H    GLY   8           HN       GLY   8   4.009  -4.782  -2.054
   46   1HA   GLY   8          HA1       GLY   8   4.939  -6.486  -4.251
   47   2HA   GLY   8          HA2       GLY   8   3.271  -6.287  -3.743
   48    H    PHE   9           HN       PHE   9   5.267  -3.488  -4.072
   49    HA   PHE   9           HA       PHE   9   3.607  -2.475  -6.182
   50   1HB   PHE   9          HB2       PHE   9   5.381  -1.405  -4.250
   51   2HB   PHE   9          HB3       PHE   9   6.019  -0.952  -5.825
   52    HD1  PHE   9           HD1      PHE   9   4.968   0.707  -7.135
   53    HD2  PHE   9           HD2      PHE   9   3.050  -0.790  -3.645
   54    HE1  PHE   9           HE1      PHE   9   3.298   2.508  -7.285
   55    HE2  PHE   9           HE2      PHE   9   1.375   1.006  -3.785
   56    HZ   PHE   9           HZ       PHE   9   1.499   2.663  -5.609
   57    HA   PRO  10           HA       PRO  10   5.853  -4.066  -9.663
   58   1HB   PRO  10          HB2       PRO  10   5.282  -1.436 -10.910
   59   2HB   PRO  10          HB3       PRO  10   4.905  -3.060 -11.495
   60   1HG   PRO  10          HG2       PRO  10   2.995  -1.482 -10.510
   61   2HG   PRO  10          HG3       PRO  10   2.995  -3.229 -10.201
   62   1HD   PRO  10          HD2       PRO  10   3.775  -0.982  -8.393
   63   2HD   PRO  10          HD3       PRO  10   2.926  -2.493  -8.012
   64    H    ASN  11           HN       ASN  11   6.408  -0.882  -8.434
   65    HA   ASN  11           HA       ASN  11   9.263  -1.284  -8.564
   66   1HB   ASN  11          HB2       ASN  11   8.692  -0.186 -10.747
   67   2HB   ASN  11          HB3       ASN  11   8.054   1.184  -9.841
   68   1HD2  ASN  11          HD21      ASN  11  10.794  -0.263 -11.183
   69   2HD2  ASN  11          HD22      ASN  11  11.984   0.839 -10.569
   70    H    CYS  12           HN       CYS  12   9.172  -1.283  -6.312
   71    HA   CYS  12           HA       CYS  12   8.073   0.941  -4.886
   72   1HB   CYS  12          HB2       CYS  12   8.280  -1.296  -3.820
   73   2HB   CYS  12          HB3       CYS  12  10.041  -1.146  -3.911
   74    H    LYS  13           HN       LYS  13   8.939   2.810  -5.500
   75    HA   LYS  13           HA       LYS  13  11.799   3.136  -5.772
   76   1HB   LYS  13          HB2       LYS  13  11.281   5.383  -6.515
   77   2HB   LYS  13          HB3       LYS  13  10.226   4.237  -7.331
   78   1HG   LYS  13          HG2       LYS  13   8.590   4.821  -5.367
   79   2HG   LYS  13          HG3       LYS  13   9.574   6.283  -5.270
   80   1HD   LYS  13          HD2       LYS  13   8.436   5.334  -7.878
   81   2HD   LYS  13          HD3       LYS  13   7.482   6.315  -6.763
   82   1HE   LYS  13          HE2       LYS  13   8.507   8.166  -7.439
   83   2HE   LYS  13          HE3       LYS  13  10.086   7.465  -7.089
   84   1HZ   LYS  13          HZ1       LYS  13   8.781   6.549  -9.522
   85   2HZ   LYS  13          HZ2       LYS  13  10.415   6.905  -9.229
   86   3HZ   LYS  13          HZ3       LYS  13   9.312   8.160  -9.519
   87    H    PHE  14           HN       PHE  14  10.051   2.787  -3.147
   88    HA   PHE  14           HA       PHE  14  11.000   5.183  -1.763
   89   1HB   PHE  14          HB2       PHE  14   8.699   3.383  -1.398
   90   2HB   PHE  14          HB3       PHE  14   9.465   3.937   0.091
   91    HD1  PHE  14           HD1      PHE  14   7.547   4.901  -2.841
   92    HD2  PHE  14           HD2      PHE  14   9.538   6.303   0.649
   93    HE1  PHE  14           HE1      PHE  14   6.416   7.070  -3.077
   94    HE2  PHE  14           HE2      PHE  14   8.411   8.480   0.425
   95    HZ   PHE  14           HZ       PHE  14   6.847   8.865  -1.441
   96    H    ARG  15           HN       ARG  15  11.023   1.621  -1.396
   97    HA   ARG  15           HA       ARG  15  12.885   1.783   0.783
   98   1HB   ARG  15          HB2       ARG  15  11.948  -0.512  -0.934
   99   2HB   ARG  15          HB3       ARG  15  13.204  -0.705   0.287
  100   1HG   ARG  15          HG2       ARG  15  11.656   0.056   2.011
  101   2HG   ARG  15          HG3       ARG  15  10.392   0.250   0.794
  102   1HD   ARG  15          HD2       ARG  15  11.779  -2.380   1.124
  103   2HD   ARG  15          HD3       ARG  15  10.481  -1.922   2.225
  104    HE   ARG  15           HE       ARG  15   8.997  -1.803   0.322
  105   1HH1  ARG  15          HH12      ARG  15  12.011  -3.524  -0.078
  106   2HH1  ARG  15          HH11      ARG  15  11.547  -4.287  -1.565
  107   1HH2  ARG  15          HH22      ARG  15   8.330  -2.856  -1.653
  108   2HH2  ARG  15          HH21      ARG  15   9.447  -3.916  -2.453
  109    H    SER  16           HN       SER  16  13.096   1.996  -2.596
  110    HA   SER  16           HA       SER  16  15.959   1.488  -2.665
  111   1HB   SER  16          HB2       SER  16  15.625   2.306  -5.099
  112   2HB   SER  16          HB3       SER  16  14.900   0.763  -4.646
  113    HG   SER  16           HG       SER  16  12.987   1.579  -4.981
  114    H    ARG  17           HN       ARG  17  13.752   4.065  -2.207
  115    HA   ARG  17           HA       ARG  17  15.402   6.258  -2.955
  116   1HB   ARG  17          HB2       ARG  17  12.790   5.953  -2.101
  117   2HB   ARG  17          HB3       ARG  17  13.554   6.738  -0.727
  118   1HG   ARG  17          HG2       ARG  17  14.031   8.655  -1.917
  119   2HG   ARG  17          HG3       ARG  17  13.933   7.836  -3.478
  120   1HD   ARG  17          HD2       ARG  17  11.410   7.491  -2.429
  121   2HD   ARG  17          HD3       ARG  17  11.840   9.114  -1.893
  122    HE   ARG  17           HE       ARG  17  12.467   8.844  -4.629
  123   1HH1  ARG  17          HH12      ARG  17   9.688   9.092  -2.508
  124   2HH1  ARG  17          HH11      ARG  17   8.648   9.775  -3.722
  125   1HH2  ARG  17          HH22      ARG  17  11.104   9.766  -6.234
  126   2HH2  ARG  17          HH21      ARG  17   9.451  10.162  -5.833
  127    H    TYR  18           HN       TYR  18  15.217   4.156  -0.255
  128    HA   TYR  18           HA       TYR  18  16.931   5.830   1.401
  129   1HB   TYR  18          HB2       TYR  18  15.677   3.134   1.965
  130   2HB   TYR  18          HB3       TYR  18  16.569   4.112   3.126
  131    HD1  TYR  18           HD1      TYR  18  15.300   6.779   2.046
  132    HD2  TYR  18           HD2      TYR  18  13.695   3.063   3.347
  133    HE1  TYR  18           HE1      TYR  18  13.216   7.911   2.683
  134    HE2  TYR  18           HE2      TYR  18  11.606   4.184   3.995
  135    HH   TYR  18           HH       TYR  18  11.080   7.626   3.326
  136    H    ARG  19           HN       ARG  19  18.859   4.795   2.403
  137    HA   ARG  19           HA       ARG  19  20.177   3.015   0.456
  138   1HB   ARG  19          HB2       ARG  19  20.784   5.707   0.987
  139   2HB   ARG  19          HB3       ARG  19  22.046   4.770   1.773
  140   1HG   ARG  19          HG2       ARG  19  22.405   5.523  -0.652
  141   2HG   ARG  19          HG3       ARG  19  22.790   3.856  -0.220
  142   1HD   ARG  19          HD2       ARG  19  20.106   3.798  -0.948
  143   2HD   ARG  19          HD3       ARG  19  20.864   4.873  -2.121
  144    HE   ARG  19           HE       ARG  19  22.487   3.007  -2.499
  145   1HH1  ARG  19          HH12      ARG  19  19.265   2.349  -1.260
  146   2HH1  ARG  19          HH11      ARG  19  19.219   0.733  -1.908
  147   1HH2  ARG  19          HH22      ARG  19  22.414   0.902  -3.371
  148   2HH2  ARG  19          HH21      ARG  19  20.995  -0.076  -3.126
  149    H    GLY  20           HN       GLY  20  19.573   1.304   1.955
  150   1HA   GLY  20          HA1       GLY  20  20.846  -0.298   3.192
  151   2HA   GLY  20          HA2       GLY  20  21.697   1.026   3.977
  152    H    LEU  21           HN       LEU  21  18.934   2.325   4.259
  153    HA   LEU  21           HA       LEU  21  17.902   0.676   6.443
  154   1HB   LEU  21          HB2       LEU  21  18.827   3.525   6.567
  155   2HB   LEU  21          HB3       LEU  21  17.531   2.985   7.615
  156    HG   LEU  21           HG       LEU  21  20.028   1.376   7.589
  157   1HD1  LEU  21          HD11      LEU  21  21.322   3.136   8.030
  158   2HD1  LEU  21          HD12      LEU  21  19.940   4.209   8.249
  159   3HD1  LEU  21          HD13      LEU  21  20.496   3.204   9.586
  160   1HD2  LEU  21          HD21      LEU  21  18.111   0.685   8.924
  161   2HD2  LEU  21          HD22      LEU  21  19.471   1.128   9.955
  162   3HD2  LEU  21          HD23      LEU  21  18.116   2.240   9.757
  163    H    GLU  22           HN       GLU  22  15.999   0.146   5.604
  164    HA   GLU  22           HA       GLU  22  14.467   2.006   4.002
  165   1HB   GLU  22          HB2       GLU  22  12.801  -0.116   4.342
  166   2HB   GLU  22          HB3       GLU  22  13.995   0.013   3.064
  167   1HG   GLU  22          HG2       GLU  22  14.066  -2.169   4.115
  168   2HG   GLU  22          HG3       GLU  22  15.571  -1.300   4.385
  169    H    ASP  23           HN       ASP  23  14.971   2.252   7.002
  170    HA   ASP  23           HA       ASP  23  13.927   3.248   8.749
  171   1HB   ASP  23          HB2       ASP  23  12.728   4.558   6.991
  172   2HB   ASP  23          HB3       ASP  23  11.451   3.346   7.010
  173    H    ASN  24           HN       ASN  24  13.097   0.302   7.513
  174    HA   ASN  24           HA       ASN  24  11.847  -1.488   8.149
  175   1HB   ASN  24          HB2       ASN  24  13.245  -0.574  10.404
  176   2HB   ASN  24          HB3       ASN  24  11.605  -0.874  10.974
  177   1HD2  ASN  24          HD21      ASN  24  13.204  -2.599   8.352
  178   2HD2  ASN  24          HD22      ASN  24  13.271  -4.128   9.169
  179    H    ARG  25           HN       ARG  25  10.410   0.539   7.149
  180    HA   ARG  25           HA       ARG  25   8.425   1.710   8.703
  181   1HB   ARG  25          HB2       ARG  25   9.111   1.534   5.929
  182   2HB   ARG  25          HB3       ARG  25   7.378   1.293   6.101
  183   1HG   ARG  25          HG2       ARG  25   7.051   3.458   6.446
  184   2HG   ARG  25          HG3       ARG  25   8.245   3.484   7.745
  185   1HD   ARG  25          HD2       ARG  25   9.941   4.159   6.356
  186   2HD   ARG  25          HD3       ARG  25   9.222   3.410   4.933
  187    HE   ARG  25           HE       ARG  25   8.194   5.391   4.482
  188   1HH1  ARG  25          HH12      ARG  25   9.171   5.435   7.863
  189   2HH1  ARG  25          HH11      ARG  25   8.579   7.055   8.129
  190   1HH2  ARG  25          HH22      ARG  25   7.465   7.527   4.830
  191   2HH2  ARG  25          HH21      ARG  25   7.617   8.241   6.416
  192    H    HIS  26           HN       HIS  26   6.218   1.286   8.930
  193    HA   HIS  26           HA       HIS  26   5.508  -1.349   9.571
  194   1HB   HIS  26          HB2       HIS  26   3.470   0.754   8.875
  195   2HB   HIS  26          HB3       HIS  26   3.363  -0.506  10.086
  196    HD2  HIS  26           HD2      HIS  26   4.126   3.133   9.798
  197    HE1  HIS  26           HE1      HIS  26   5.626   1.904  13.551
  198    HE2  HIS  26           HE2      HIS  26   4.904   3.891  12.154
  199    H    PHE  27           HN       PHE  27   5.395  -2.932   8.082
  200    HA   PHE  27           HA       PHE  27   4.598  -2.367   5.376
  201   1HB   PHE  27          HB2       PHE  27   5.705  -4.690   6.840
  202   2HB   PHE  27          HB3       PHE  27   4.685  -5.066   5.451
  203    HD1  PHE  27           HD1      PHE  27   5.359  -4.479   3.216
  204    HD2  PHE  27           HD2      PHE  27   7.809  -3.525   6.560
  205    HE1  PHE  27           HE1      PHE  27   7.239  -4.006   1.701
  206    HE2  PHE  27           HE2      PHE  27   9.693  -3.053   5.053
  207    HZ   PHE  27           HZ       PHE  27   9.408  -3.292   2.620
  208    H    TYR  28           HN       TYR  28   2.586  -2.055   4.895
  209    HA   TYR  28           HA       TYR  28   0.464  -2.963   6.612
  210   1HB   TYR  28          HB2       TYR  28   0.569  -1.311   4.101
  211   2HB   TYR  28          HB3       TYR  28  -0.959  -1.840   4.795
  212    HD1  TYR  28           HD1      TYR  28   0.578   0.991   4.399
  213    HD2  TYR  28           HD2      TYR  28  -0.402  -1.520   7.693
  214    HE1  TYR  28           HE1      TYR  28   0.589   2.948   5.886
  215    HE2  TYR  28           HE2      TYR  28  -0.396   0.432   9.189
  216    HH   TYR  28           HH       TYR  28   0.758   3.546   8.154
  217    H    ARG  29           HN       ARG  29  -0.853  -4.623   6.313
  218    HA   ARG  29           HA       ARG  29  -0.692  -6.193   3.873
  219   1HB   ARG  29          HB2       ARG  29  -1.266  -6.805   6.528
  220   2HB   ARG  29          HB3       ARG  29  -2.832  -6.888   5.733
  221   1HG   ARG  29          HG2       ARG  29  -0.353  -8.391   4.914
  222   2HG   ARG  29          HG3       ARG  29  -1.743  -9.059   5.773
  223   1HD   ARG  29          HD2       ARG  29  -1.754  -7.870   3.002
  224   2HD   ARG  29          HD3       ARG  29  -1.858  -9.589   3.396
  225    HE   ARG  29           HE       ARG  29  -3.969  -7.611   3.583
  226   1HH1  ARG  29          HH12      ARG  29  -2.879 -10.819   4.482
  227   2HH1  ARG  29          HH11      ARG  29  -4.476 -11.378   4.891
  228   1HH2  ARG  29          HH22      ARG  29  -6.049  -8.337   4.100
  229   2HH2  ARG  29          HH21      ARG  29  -6.289  -9.966   4.668
  230    H    ILE  30           HN       ILE  30  -2.386  -6.356   2.389
  231    HA   ILE  30           HA       ILE  30  -3.937  -4.084   1.933
  232    HB   ILE  30           HB       ILE  30  -4.505  -6.863   0.886
  233   1HG1  ILE  30          HG12      ILE  30  -3.245  -5.462  -1.121
  234   2HG1  ILE  30          HG13      ILE  30  -2.371  -4.928   0.310
  235   1HG2  ILE  30          HG21      ILE  30  -5.562  -5.691  -0.982
  236   2HG2  ILE  30          HG22      ILE  30  -6.340  -5.289   0.548
  237   3HG2  ILE  30          HG23      ILE  30  -5.229  -4.144  -0.202
  238   1HD1  ILE  30          HD11      ILE  30  -1.155  -6.762   0.158
  239   2HD1  ILE  30          HD12      ILE  30  -2.595  -7.697   0.562
  240   3HD1  ILE  30          HD13      ILE  30  -2.184  -7.395  -1.126
  241    HA   PRO  31           HA       PRO  31  -7.128  -4.547   5.056
  242   1HB   PRO  31          HB2       PRO  31  -8.330  -2.537   3.197
  243   2HB   PRO  31          HB3       PRO  31  -8.168  -2.484   4.961
  244   1HG   PRO  31          HG2       PRO  31  -6.575  -1.031   3.431
  245   2HG   PRO  31          HG3       PRO  31  -5.919  -1.867   4.851
  246   1HD   PRO  31          HD2       PRO  31  -5.717  -2.589   1.959
  247   2HD   PRO  31          HD3       PRO  31  -4.500  -2.728   3.245
  248    H    LYS  32           HN       LYS  32  -9.189  -5.459   5.129
  249    HA   LYS  32           HA       LYS  32 -10.279  -6.339   2.543
  250   1HB   LYS  32          HB2       LYS  32  -9.465  -7.917   4.706
  251   2HB   LYS  32          HB3       LYS  32 -11.220  -7.886   4.813
  252   1HG   LYS  32          HG2       LYS  32 -11.446  -8.783   2.619
  253   2HG   LYS  32          HG3       LYS  32  -9.719  -8.599   2.307
  254   1HD   LYS  32          HD2       LYS  32  -9.753 -10.813   2.850
  255   2HD   LYS  32          HD3       LYS  32  -9.550 -10.132   4.465
  256   1HE   LYS  32          HE2       LYS  32 -11.296 -11.894   4.335
  257   2HE   LYS  32          HE3       LYS  32 -11.893 -10.341   4.915
  258   1HZ   LYS  32          HZ1       LYS  32 -13.079  -9.977   3.019
  259   2HZ   LYS  32          HZ2       LYS  32 -13.185 -11.667   3.104
  260   3HZ   LYS  32          HZ3       LYS  32 -12.076 -10.944   2.049
  261    H    ARG  33           HN       ARG  33 -10.688  -4.088   4.675
  262    HA   ARG  33           HA       ARG  33 -13.563  -3.935   4.340
  263   1HB   ARG  33          HB2       ARG  33 -13.087  -5.140   6.534
  264   2HB   ARG  33          HB3       ARG  33 -12.383  -3.632   7.102
  265   1HG   ARG  33          HG2       ARG  33 -14.639  -2.578   6.458
  266   2HG   ARG  33          HG3       ARG  33 -15.236  -4.238   6.426
  267   1HD   ARG  33          HD2       ARG  33 -15.658  -3.856   8.607
  268   2HD   ARG  33          HD3       ARG  33 -13.946  -4.234   8.796
  269    HE   ARG  33           HE       ARG  33 -13.920  -1.567   8.344
  270   1HH1  ARG  33          HH12      ARG  33 -15.773  -3.560  10.562
  271   2HH1  ARG  33          HH11      ARG  33 -15.874  -2.323  11.786
  272   1HH2  ARG  33          HH22      ARG  33 -13.995   0.030   9.957
  273   2HH2  ARG  33          HH21      ARG  33 -14.834  -0.292  11.449
  274    HA   PRO  34           HA       PRO  34 -14.936  -2.716   3.886
  275   1HB   PRO  34          HB2       PRO  34 -15.546  -0.995   1.892
  276   2HB   PRO  34          HB3       PRO  34 -15.943  -0.669   3.583
  277   1HG   PRO  34          HG2       PRO  34 -13.665   0.358   1.938
  278   2HG   PRO  34          HG3       PRO  34 -14.690   1.224   3.097
  279   1HD   PRO  34          HD2       PRO  34 -12.194   0.320   3.705
  280   2HD   PRO  34          HD3       PRO  34 -13.490   0.476   4.908
  281    H    LEU  35           HN       LEU  35 -15.580  -3.597   1.744
  282    HA   LEU  35           HA       LEU  35 -13.417  -4.979   0.577
  283   1HB   LEU  35          HB2       LEU  35 -16.271  -5.020   0.441
  284   2HB   LEU  35          HB3       LEU  35 -15.623  -5.070  -1.188
  285    HG   LEU  35           HG       LEU  35 -14.300  -6.907   0.678
  286   1HD1  LEU  35          HD11      LEU  35 -16.051  -8.008   1.478
  287   2HD1  LEU  35          HD12      LEU  35 -17.093  -6.732   0.847
  288   3HD1  LEU  35          HD13      LEU  35 -16.748  -8.156  -0.136
  289   1HD2  LEU  35          HD21      LEU  35 -13.760  -7.791  -1.281
  290   2HD2  LEU  35          HD22      LEU  35 -15.457  -8.159  -1.587
  291   3HD2  LEU  35          HD23      LEU  35 -14.784  -6.614  -2.104
  292    H    ILE  36           HN       ILE  36 -15.274  -2.167  -0.481
  293    HA   ILE  36           HA       ILE  36 -14.160  -2.002  -3.063
  294    HB   ILE  36           HB       ILE  36 -16.146  -0.656  -1.716
  295   1HG1  ILE  36          HG12      ILE  36 -16.570   0.422  -3.839
  296   2HG1  ILE  36          HG13      ILE  36 -14.903   0.164  -4.343
  297   1HG2  ILE  36          HG21      ILE  36 -14.866   1.003  -0.692
  298   2HG2  ILE  36          HG22      ILE  36 -13.835   1.213  -2.108
  299   3HG2  ILE  36          HG23      ILE  36 -15.505   1.780  -2.140
  300   1HD1  ILE  36          HD11      ILE  36 -15.981  -2.355  -3.650
  301   2HD1  ILE  36          HD12      ILE  36 -17.149  -1.531  -4.683
  302   3HD1  ILE  36          HD13      ILE  36 -15.491  -1.765  -5.239
  303    H    LEU  37           HN       LEU  37 -13.002  -0.963   0.052
  304    HA   LEU  37           HA       LEU  37 -10.919   0.726  -0.917
  305   1HB   LEU  37          HB2       LEU  37 -11.466   1.105   1.314
  306   2HB   LEU  37          HB3       LEU  37 -11.533  -0.605   1.690
  307    HG   LEU  37           HG       LEU  37  -8.955  -0.518   1.220
  308   1HD1  LEU  37          HD11      LEU  37  -7.874   1.508   1.507
  309   2HD1  LEU  37          HD12      LEU  37  -9.250   1.945   0.495
  310   3HD1  LEU  37          HD13      LEU  37  -9.289   2.278   2.226
  311   1HD2  LEU  37          HD21      LEU  37  -8.598   0.072   3.612
  312   2HD2  LEU  37          HD22      LEU  37 -10.293   0.551   3.699
  313   3HD2  LEU  37          HD23      LEU  37  -9.865  -1.125   3.348
  314    H    ARG  38           HN       ARG  38 -11.125  -2.657   0.078
  315    HA   ARG  38           HA       ARG  38  -8.463  -3.396  -0.371
  316   1HB   ARG  38          HB2       ARG  38 -10.032  -4.845   0.794
  317   2HB   ARG  38          HB3       ARG  38 -11.007  -5.013  -0.659
  318   1HG   ARG  38          HG2       ARG  38  -9.078  -6.118  -1.761
  319   2HG   ARG  38          HG3       ARG  38  -8.218  -6.054  -0.220
  320   1HD   ARG  38          HD2       ARG  38  -9.468  -7.704   0.697
  321   2HD   ARG  38          HD3       ARG  38 -10.934  -7.203  -0.143
  322    HE   ARG  38           HE       ARG  38  -9.036  -9.175  -0.995
  323   1HH1  ARG  38          HH12      ARG  38 -11.446  -6.885  -2.087
  324   2HH1  ARG  38          HH11      ARG  38 -11.751  -7.712  -3.583
  325   1HH2  ARG  38          HH22      ARG  38  -9.426 -10.274  -2.956
  326   2HH2  ARG  38          HH21      ARG  38 -10.588  -9.638  -4.089
  327    H    GLN  39           HN       GLN  39 -11.246  -3.273  -2.527
  328    HA   GLN  39           HA       GLN  39 -10.022  -4.322  -4.828
  329   1HB   GLN  39          HB2       GLN  39 -12.516  -3.769  -4.310
  330   2HB   GLN  39          HB3       GLN  39 -12.119  -2.184  -4.954
  331   1HG   GLN  39          HG2       GLN  39 -11.808  -2.966  -7.078
  332   2HG   GLN  39          HG3       GLN  39 -11.440  -4.602  -6.536
  333   1HE2  GLN  39          HE21      GLN  39 -13.178  -5.934  -5.822
  334   2HE2  GLN  39          HE22      GLN  39 -14.796  -5.642  -6.375
  335    H    ARG  40           HN       ARG  40 -10.297  -1.020  -3.606
  336    HA   ARG  40           HA       ARG  40  -9.110   0.263  -5.831
  337   1HB   ARG  40          HB2       ARG  40  -9.663   1.038  -2.994
  338   2HB   ARG  40          HB3       ARG  40  -8.635   2.065  -3.981
  339   1HG   ARG  40          HG2       ARG  40 -11.372   1.211  -4.843
  340   2HG   ARG  40          HG3       ARG  40 -11.077   2.646  -3.861
  341   1HD   ARG  40          HD2       ARG  40 -10.329   3.818  -5.616
  342   2HD   ARG  40          HD3       ARG  40  -9.336   2.478  -6.189
  343    HE   ARG  40           HE       ARG  40 -12.098   1.998  -6.685
  344   1HH1  ARG  40          HH12      ARG  40  -9.310   3.754  -7.860
  345   2HH1  ARG  40          HH11      ARG  40  -9.914   3.916  -9.475
  346   1HH2  ARG  40          HH22      ARG  40 -12.923   2.217  -8.806
  347   2HH2  ARG  40          HH21      ARG  40 -11.974   3.025 -10.023
  348    H    TRP  41           HN       TRP  41  -7.829  -1.213  -2.942
  349    HA   TRP  41           HA       TRP  41  -5.251  -0.121  -2.944
  350   1HB   TRP  41          HB2       TRP  41  -6.662  -2.340  -1.663
  351   2HB   TRP  41          HB3       TRP  41  -4.946  -2.659  -1.888
  352    HD1  TRP  41           HD1      TRP  41  -7.012   0.376  -0.612
  353    HE1  TRP  41           HE1      TRP  41  -5.806   1.306   1.464
  354    HE3  TRP  41           HE3      TRP  41  -3.077  -2.871  -0.450
  355    HZ2  TRP  41           HZ2      TRP  41  -3.490   0.730   2.965
  356    HZ3  TRP  41           HZ3      TRP  41  -1.411  -2.614   1.333
  357    HH2  TRP  41           HH2      TRP  41  -1.615  -0.846   3.001
  358    H    LEU  42           HN       LEU  42  -6.683  -2.650  -4.862
  359    HA   LEU  42           HA       LEU  42  -4.199  -3.769  -5.748
  360   1HB   LEU  42          HB2       LEU  42  -6.791  -4.066  -7.222
  361   2HB   LEU  42          HB3       LEU  42  -5.461  -5.200  -7.103
  362    HG   LEU  42           HG       LEU  42  -7.520  -4.561  -4.999
  363   1HD1  LEU  42          HD11      LEU  42  -8.475  -6.145  -6.344
  364   2HD1  LEU  42          HD12      LEU  42  -6.926  -6.852  -6.801
  365   3HD1  LEU  42          HD13      LEU  42  -7.609  -7.178  -5.208
  366   1HD2  LEU  42          HD21      LEU  42  -4.824  -5.254  -4.562
  367   2HD2  LEU  42          HD22      LEU  42  -6.139  -5.216  -3.390
  368   3HD2  LEU  42          HD23      LEU  42  -5.777  -6.706  -4.260
  369    H    THR  43           HN       THR  43  -6.132  -1.092  -6.663
  370    HA   THR  43           HA       THR  43  -5.415  -0.881  -9.389
  371    HB   THR  43           HB       THR  43  -6.482   1.063  -7.358
  372    HG1  THR  43           HG1      THR  43  -7.643  -0.691  -8.765
  373   1HG2  THR  43          HG21      THR  43  -6.709   2.234  -9.923
  374   2HG2  THR  43          HG22      THR  43  -5.015   1.804  -9.707
  375   3HG2  THR  43          HG23      THR  43  -5.813   2.845  -8.529
  376    H    ALA  44           HN       ALA  44  -3.960   0.300  -6.416
  377    HA   ALA  44           HA       ALA  44  -2.127   2.109  -7.552
  378   1HB   ALA  44          HB1       ALA  44  -2.469   2.426  -5.302
  379   2HB   ALA  44          HB2       ALA  44  -2.353   0.703  -4.934
  380   3HB   ALA  44          HB3       ALA  44  -0.898   1.622  -5.317
  381    H    ILE  45           HN       ILE  45  -2.001  -1.327  -7.022
  382    HA   ILE  45           HA       ILE  45   0.840  -1.400  -7.718
  383    HB   ILE  45           HB       ILE  45   0.493  -3.913  -7.141
  384   1HG1  ILE  45          HG12      ILE  45  -1.939  -2.634  -5.884
  385   2HG1  ILE  45          HG13      ILE  45  -1.908  -3.967  -7.025
  386   1HG2  ILE  45          HG21      ILE  45   1.600  -3.387  -5.292
  387   2HG2  ILE  45          HG22      ILE  45   1.333  -1.697  -5.722
  388   3HG2  ILE  45          HG23      ILE  45   0.221  -2.515  -4.624
  389   1HD1  ILE  45          HD11      ILE  45  -0.601  -5.215  -5.203
  390   2HD1  ILE  45          HD12      ILE  45  -1.199  -3.953  -4.127
  391   3HD1  ILE  45          HD13      ILE  45  -2.337  -4.984  -4.995
  392    H    GLY  46           HN       GLY  46  -2.074  -1.517  -9.232
  393   1HA   GLY  46          HA1       GLY  46  -2.796  -2.259 -11.279
  394   2HA   GLY  46          HA2       GLY  46  -1.095  -2.419 -11.696
  395    H    ARG  47           HN       ARG  47  -2.738  -4.142  -9.104
  396    HA   ARG  47           HA       ARG  47  -2.161  -6.643 -10.556
  397   1HB   ARG  47          HB2       ARG  47  -2.010  -6.006  -7.616
  398   2HB   ARG  47          HB3       ARG  47  -2.059  -7.655  -8.216
  399   1HG   ARG  47          HG2       ARG  47  -0.051  -6.466  -9.704
  400   2HG   ARG  47          HG3       ARG  47   0.155  -5.803  -8.080
  401   1HD   ARG  47          HD2       ARG  47   0.666  -7.828  -7.167
  402   2HD   ARG  47          HD3       ARG  47  -0.349  -8.715  -8.304
  403    HE   ARG  47           HE       ARG  47   1.418  -8.825  -9.799
  404   1HH1  ARG  47          HH12      ARG  47   2.266  -6.789  -7.075
  405   2HH1  ARG  47          HH11      ARG  47   3.959  -6.801  -7.430
  406   1HH2  ARG  47          HH22      ARG  47   3.659  -8.854 -10.261
  407   2HH2  ARG  47          HH21      ARG  47   4.755  -7.959  -9.243
  408    H    THR  48           HN       THR  48  -3.522  -8.483  -9.831
  409    HA   THR  48           HA       THR  48  -6.287  -7.605  -9.433
  410    HB   THR  48           HB       THR  48  -6.394 -10.277 -10.134
  411    HG1  THR  48           HG1      THR  48  -4.342 -10.524 -10.826
  412   1HG2  THR  48          HG21      THR  48  -7.936  -8.991 -11.215
  413   2HG2  THR  48          HG22      THR  48  -6.755  -9.114 -12.518
  414   3HG2  THR  48          HG23      THR  48  -6.801  -7.673 -11.501
  415    H    GLU  49           HN       GLU  49  -7.563  -9.630  -8.389
  416    HA   GLU  49           HA       GLU  49  -6.665  -9.437  -5.668
  417   1HB   GLU  49          HB2       GLU  49  -8.930 -11.202  -6.027
  418   2HB   GLU  49          HB3       GLU  49  -8.818  -9.689  -5.144
  419   1HG   GLU  49          HG2       GLU  49  -9.173  -8.463  -7.252
  420   2HG   GLU  49          HG3       GLU  49  -9.365 -10.005  -8.089
  421    H    GLU  50           HN       GLU  50  -6.733 -11.921  -8.103
  422    HA   GLU  50           HA       GLU  50  -6.075 -14.041  -6.249
  423   1HB   GLU  50          HB2       GLU  50  -5.520 -14.492  -9.100
  424   2HB   GLU  50          HB3       GLU  50  -6.466 -15.453  -7.974
  425   1HG   GLU  50          HG2       GLU  50  -8.063 -14.789  -9.464
  426   2HG   GLU  50          HG3       GLU  50  -8.208 -13.539  -8.232
  427    H    THR  51           HN       THR  51  -4.494 -11.482  -7.470
  428    HA   THR  51           HA       THR  51  -1.875 -12.820  -7.565
  429    HB   THR  51           HB       THR  51  -2.151 -10.166  -8.832
  430    HG1  THR  51           HG1      THR  51  -3.873 -12.212  -9.447
  431   1HG2  THR  51          HG21      THR  51  -0.797 -11.240 -10.560
  432   2HG2  THR  51          HG22      THR  51  -0.973 -12.789  -9.736
  433   3HG2  THR  51          HG23      THR  51  -0.096 -11.471  -8.959
  434    H    VAL  52           HN       VAL  52  -3.400 -11.637  -5.280
  435    HA   VAL  52           HA       VAL  52  -1.376  -9.811  -4.280
  436    HB   VAL  52           HB       VAL  52  -3.132  -8.483  -5.599
  437   1HG1  VAL  52          HG11      VAL  52  -5.277  -8.266  -4.887
  438   2HG1  VAL  52          HG12      VAL  52  -4.975  -9.928  -4.379
  439   3HG1  VAL  52          HG13      VAL  52  -4.876  -8.614  -3.205
  440   1HG2  VAL  52          HG21      VAL  52  -1.883  -7.057  -4.355
  441   2HG2  VAL  52          HG22      VAL  52  -3.419  -6.862  -3.510
  442   3HG2  VAL  52          HG23      VAL  52  -2.178  -7.931  -2.850
  443    H    VAL  53           HN       VAL  53  -1.948  -9.154  -1.998
  444    HA   VAL  53           HA       VAL  53  -2.865  -9.380   0.057
  445    HB   VAL  53           HB       VAL  53  -4.555 -11.586  -1.124
  446   1HG1  VAL  53          HG11      VAL  53  -4.719 -10.331   1.615
  447   2HG1  VAL  53          HG12      VAL  53  -5.853 -11.503   0.941
  448   3HG1  VAL  53          HG13      VAL  53  -4.185 -11.974   1.259
  449   1HG2  VAL  53          HG21      VAL  53  -4.910  -8.669  -0.766
  450   2HG2  VAL  53          HG22      VAL  53  -5.540  -9.745  -2.014
  451   3HG2  VAL  53          HG23      VAL  53  -6.303  -9.694  -0.425
  452    H    SER  54           HN       SER  54  -2.086 -12.468  -1.528
  453    HA   SER  54           HA       SER  54  -1.511 -13.938   0.766
  454   1HB   SER  54          HB2       SER  54   0.249 -14.785  -1.294
  455   2HB   SER  54          HB3       SER  54  -1.293 -15.499  -0.820
  456    HG   SER  54           HG       SER  54  -2.160 -14.711  -2.559
  457    H    GLN  55           HN       GLN  55   1.051 -12.799  -1.446
  458    HA   GLN  55           HA       GLN  55   2.845 -12.589   0.865
  459   1HB   GLN  55          HB2       GLN  55   3.538 -13.912  -1.149
  460   2HB   GLN  55          HB3       GLN  55   3.522 -12.420  -2.079
  461   1HG   GLN  55          HG2       GLN  55   5.136 -12.415   0.393
  462   2HG   GLN  55          HG3       GLN  55   5.718 -13.424  -0.927
  463   1HE2  GLN  55          HE21      GLN  55   5.837 -10.407   0.403
  464   2HE2  GLN  55          HE22      GLN  55   6.393  -9.508  -0.964
  465    H    LEU  56           HN       LEU  56   1.370 -10.735  -1.677
  466    HA   LEU  56           HA       LEU  56   2.988  -8.510  -1.752
  467   1HB   LEU  56          HB2       LEU  56   0.241  -9.141  -2.510
  468   2HB   LEU  56          HB3       LEU  56   0.540  -7.437  -2.232
  469    HG   LEU  56           HG       LEU  56   2.642  -7.965  -3.801
  470   1HD1  LEU  56          HD11      LEU  56   2.065  -9.498  -5.566
  471   2HD1  LEU  56          HD12      LEU  56   2.037 -10.345  -4.020
  472   3HD1  LEU  56          HD13      LEU  56   0.526  -9.865  -4.789
  473   1HD2  LEU  56          HD21      LEU  56  -0.180  -7.363  -4.646
  474   2HD2  LEU  56          HD22      LEU  56   1.107  -6.215  -4.273
  475   3HD2  LEU  56          HD23      LEU  56   1.217  -7.221  -5.714
  476    H    ARG  57           HN       ARG  57   3.398  -6.885  -0.486
  477    HA   ARG  57           HA       ARG  57   1.496  -6.112   1.614
  478   1HB   ARG  57          HB2       ARG  57   4.509  -6.241   1.944
  479   2HB   ARG  57          HB3       ARG  57   3.367  -5.666   3.148
  480   1HG   ARG  57          HG2       ARG  57   3.381  -8.477   2.082
  481   2HG   ARG  57          HG3       ARG  57   4.251  -7.967   3.529
  482   1HD   ARG  57          HD2       ARG  57   2.002  -7.077   4.351
  483   2HD   ARG  57          HD3       ARG  57   1.287  -8.029   3.048
  484    HE   ARG  57           HE       ARG  57   2.475  -9.015   5.502
  485   1HH1  ARG  57          HH12      ARG  57   1.369  -9.798   2.270
  486   2HH1  ARG  57          HH11      ARG  57   1.237 -11.499   2.591
  487   1HH2  ARG  57          HH22      ARG  57   2.315 -11.245   5.917
  488   2HH2  ARG  57          HH21      ARG  57   1.801 -12.329   4.660
  489    H    ILE  58           HN       ILE  58   2.091  -3.799   2.384
  490    HA   ILE  58           HA       ILE  58   3.301  -2.288   0.165
  491    HB   ILE  58           HB       ILE  58   0.706  -1.591   1.552
  492   1HG1  ILE  58          HG12      ILE  58   0.454  -3.294  -0.196
  493   2HG1  ILE  58          HG13      ILE  58  -0.284  -1.774  -0.688
  494   1HG2  ILE  58          HG21      ILE  58   2.406  -0.016  -0.361
  495   2HG2  ILE  58          HG22      ILE  58   0.693   0.320  -0.104
  496   3HG2  ILE  58          HG23      ILE  58   1.828   0.453   1.239
  497   1HD1  ILE  58          HD11      ILE  58   2.058  -3.199  -1.788
  498   2HD1  ILE  58          HD12      ILE  58   0.790  -2.284  -2.607
  499   3HD1  ILE  58          HD13      ILE  58   2.106  -1.435  -1.796
  500    H    CYS  59           HN       CYS  59   4.856  -0.970   0.845
  501    HA   CYS  59           HA       CYS  59   5.524  -0.454   3.501
  502   1HB   CYS  59          HB2       CYS  59   6.141   1.421   1.216
  503   2HB   CYS  59          HB3       CYS  59   7.092   1.132   2.666
  504    H    SER  60           HN       SER  60   5.102   1.242   4.889
  505    HA   SER  60           HA       SER  60   2.674   2.688   4.575
  506   1HB   SER  60          HB2       SER  60   4.195   3.965   6.563
  507   2HB   SER  60          HB3       SER  60   2.962   2.724   6.806
  508    HG   SER  60           HG       SER  60   4.521   1.161   6.792
  509    H    ALA  61           HN       ALA  61   5.722   3.109   3.320
  510    HA   ALA  61           HA       ALA  61   5.882   5.967   3.322
  511   1HB   ALA  61          HB1       ALA  61   7.813   5.685   1.953
  512   2HB   ALA  61          HB2       ALA  61   7.844   4.417   3.181
  513   3HB   ALA  61          HB3       ALA  61   7.344   4.037   1.531
  514    H    HIS  62           HN       HIS  62   4.004   3.768   1.630
  515    HA   HIS  62           HA       HIS  62   3.885   5.325  -0.829
  516   1HB   HIS  62          HB2       HIS  62   2.464   2.788   0.017
  517   2HB   HIS  62          HB3       HIS  62   2.253   3.564  -1.548
  518    HD1  HIS  62           HD1      HIS  62   4.465   3.603  -3.118
  519    HD2  HIS  62           HD2      HIS  62   4.585   1.119   0.227
  520    HE1  HIS  62           HE1      HIS  62   6.415   2.004  -3.471
  521    H    PHE  63           HN       PHE  63   2.877   6.184   1.934
  522    HA   PHE  63           HA       PHE  63   0.201   7.024   1.044
  523   1HB   PHE  63          HB2       PHE  63   1.001   6.147   3.828
  524   2HB   PHE  63          HB3       PHE  63  -0.532   6.912   3.432
  525    HD1  PHE  63           HD1      PHE  63   1.530   3.901   2.914
  526    HD2  PHE  63           HD2      PHE  63  -2.323   5.676   2.531
  527    HE1  PHE  63           HE1      PHE  63   0.566   1.693   2.430
  528    HE2  PHE  63           HE2      PHE  63  -3.290   3.469   2.040
  529    HZ   PHE  63           HZ       PHE  63  -1.845   1.476   1.992
  530    H    GLU  64           HN       GLU  64  -0.172   9.157   1.193
  531    HA   GLU  64           HA       GLU  64   1.814  10.947   2.193
  532   1HB   GLU  64          HB2       GLU  64  -0.289  11.211   0.471
  533   2HB   GLU  64          HB3       GLU  64  -0.941  11.971   1.916
  534   1HG   GLU  64          HG2       GLU  64   1.602  12.725   0.491
  535   2HG   GLU  64          HG3       GLU  64   0.083  13.622   0.482
  536    H    GLY  65           HN       GLY  65   2.208  10.502   4.316
  537   1HA   GLY  65          HA1       GLY  65   1.514  11.412   6.530
  538   2HA   GLY  65          HA2       GLY  65  -0.071  10.727   6.190
  539    H    GLY  66           HN       GLY  66   1.522   8.447   4.850
  540   1HA   GLY  66          HA1       GLY  66   2.387   6.395   5.409
  541   2HA   GLY  66          HA2       GLY  66   2.992   7.133   6.885
  542    H    GLU  67           HN       GLU  67  -0.413   7.199   6.149
  543    HA   GLU  67           HA       GLU  67  -0.826   5.298   8.354
  544   1HB   GLU  67          HB2       GLU  67  -1.750   8.074   7.995
  545   2HB   GLU  67          HB3       GLU  67  -2.976   6.944   8.554
  546   1HG   GLU  67          HG2       GLU  67  -0.385   6.805   9.937
  547   2HG   GLU  67          HG3       GLU  67  -1.313   8.285  10.176
  548    H    LYS  68           HN       LYS  68  -1.899   3.579   7.710
  549    HA   LYS  68           HA       LYS  68  -3.967   3.825   5.638
  550   1HB   LYS  68          HB2       LYS  68  -2.465   2.004   5.211
  551   2HB   LYS  68          HB3       LYS  68  -2.601   1.428   6.866
  552   1HG   LYS  68          HG2       LYS  68  -5.211   1.414   5.900
  553   2HG   LYS  68          HG3       LYS  68  -4.226   0.817   4.564
  554   1HD   LYS  68          HD2       LYS  68  -4.605  -1.145   5.677
  555   2HD   LYS  68          HD3       LYS  68  -3.121  -0.626   6.479
  556   1HE   LYS  68          HE2       LYS  68  -4.152  -0.465   8.446
  557   2HE   LYS  68          HE3       LYS  68  -5.447   0.512   7.757
  558   1HZ   LYS  68          HZ1       LYS  68  -5.881  -1.865   8.784
  559   2HZ   LYS  68          HZ2       LYS  68  -5.482  -2.363   7.215
  560   3HZ   LYS  68          HZ3       LYS  68  -6.774  -1.293   7.461
  561    H    LYS  69           HN       LYS  69  -5.982   4.163   6.320
  562    HA   LYS  69           HA       LYS  69  -6.763   3.022   8.922
  563   1HB   LYS  69          HB2       LYS  69  -8.034   5.346   7.455
  564   2HB   LYS  69          HB3       LYS  69  -8.497   4.740   9.039
  565   1HG   LYS  69          HG2       LYS  69  -6.656   5.638  10.077
  566   2HG   LYS  69          HG3       LYS  69  -5.695   5.646   8.597
  567   1HD   LYS  69          HD2       LYS  69  -7.200   7.439   7.721
  568   2HD   LYS  69          HD3       LYS  69  -7.963   7.499   9.312
  569   1HE   LYS  69          HE2       LYS  69  -5.038   7.981   8.750
  570   2HE   LYS  69          HE3       LYS  69  -6.243   9.236   9.029
  571   1HZ   LYS  69          HZ1       LYS  69  -4.774   7.732  10.922
  572   2HZ   LYS  69          HZ2       LYS  69  -6.435   7.478  11.164
  573   3HZ   LYS  69          HZ3       LYS  69  -5.810   9.052  11.181
  574    H    GLU  70           HN       GLU  70  -9.039   4.245   6.585
  575    HA   GLU  70           HA       GLU  70  -9.697   1.581   5.627
  576   1HB   GLU  70          HB2       GLU  70 -11.246   2.993   7.677
  577   2HB   GLU  70          HB3       GLU  70 -12.212   2.486   6.296
  578   1HG   GLU  70          HG2       GLU  70 -11.348   0.194   6.575
  579   2HG   GLU  70          HG3       GLU  70 -10.483   0.724   8.017
  580    H    GLY  71           HN       GLY  71  -8.904   4.435   4.754
  581   1HA   GLY  71          HA1       GLY  71 -10.563   4.367   2.359
  582   2HA   GLY  71          HA2       GLY  71 -10.669   5.838   3.323
  583    H    ASP  72           HN       ASP  72  -7.769   3.970   3.119
  584    HA   ASP  72           HA       ASP  72  -6.494   6.139   1.593
  585   1HB   ASP  72          HB2       ASP  72  -4.911   4.601   3.606
  586   2HB   ASP  72          HB3       ASP  72  -4.738   6.275   3.094
  587    H    ILE  73           HN       ILE  73  -5.908   5.360  -0.298
  588    HA   ILE  73           HA       ILE  73  -5.021   2.572  -0.558
  589    HB   ILE  73           HB       ILE  73  -5.690   4.635  -2.676
  590   1HG1  ILE  73          HG12      ILE  73  -7.416   2.305  -2.509
  591   2HG1  ILE  73          HG13      ILE  73  -7.408   3.232  -1.010
  592   1HG2  ILE  73          HG21      ILE  73  -5.608   1.730  -3.277
  593   2HG2  ILE  73          HG22      ILE  73  -5.294   3.114  -4.324
  594   3HG2  ILE  73          HG23      ILE  73  -4.078   2.599  -3.154
  595   1HD1  ILE  73          HD11      ILE  73  -9.103   4.254  -2.137
  596   2HD1  ILE  73          HD12      ILE  73  -7.743   5.255  -2.644
  597   3HD1  ILE  73          HD13      ILE  73  -8.360   3.997  -3.716
  598    HA   PRO  74           HA       PRO  74  -0.803   3.940  -0.736
  599   1HB   PRO  74          HB2       PRO  74   0.280   1.957  -2.266
  600   2HB   PRO  74          HB3       PRO  74  -0.107   1.772  -0.554
  601   1HG   PRO  74          HG2       PRO  74  -1.632   0.867  -2.953
  602   2HG   PRO  74          HG3       PRO  74  -1.387   0.044  -1.402
  603   1HD   PRO  74          HD2       PRO  74  -3.680   1.349  -2.050
  604   2HD   PRO  74          HD3       PRO  74  -3.094   1.196  -0.384
  605    H    VAL  75           HN       VAL  75   0.633   4.995  -2.153
  606    HA   VAL  75           HA       VAL  75  -0.132   5.030  -4.993
  607    HB   VAL  75           HB       VAL  75   0.693   7.473  -4.995
  608   1HG1  VAL  75          HG11      VAL  75  -1.474   8.168  -4.988
  609   2HG1  VAL  75          HG12      VAL  75  -1.742   6.427  -5.044
  610   3HG1  VAL  75          HG13      VAL  75  -1.874   7.292  -3.513
  611   1HG2  VAL  75          HG21      VAL  75  -0.062   8.510  -2.683
  612   2HG2  VAL  75          HG22      VAL  75   0.444   6.932  -2.076
  613   3HG2  VAL  75          HG23      VAL  75   1.591   7.952  -2.945
  614    HA   PRO  76           HA       PRO  76   4.059   4.171  -5.891
  615   1HB   PRO  76          HB2       PRO  76   4.559   5.771  -8.057
  616   2HB   PRO  76          HB3       PRO  76   3.625   4.275  -8.135
  617   1HG   PRO  76          HG2       PRO  76   2.667   7.103  -8.002
  618   2HG   PRO  76          HG3       PRO  76   2.043   5.752  -8.967
  619   1HD   PRO  76          HD2       PRO  76   0.846   6.588  -6.685
  620   2HD   PRO  76          HD3       PRO  76   0.842   4.882  -7.197
  621    H    ASP  77           HN       ASP  77   3.238   7.581  -5.814
  622    HA   ASP  77           HA       ASP  77   5.476   8.203  -4.121
  623   1HB   ASP  77          HB2       ASP  77   6.340   8.264  -6.552
  624   2HB   ASP  77          HB3       ASP  77   5.314   9.678  -6.754
  625    HA   PRO  78           HA       PRO  78   1.758  10.663  -3.100
  626   1HB   PRO  78          HB2       PRO  78   2.756  11.456  -0.666
  627   2HB   PRO  78          HB3       PRO  78   1.866   9.953  -0.932
  628   1HG   PRO  78          HG2       PRO  78   4.822  10.407  -0.778
  629   2HG   PRO  78          HG3       PRO  78   3.852   9.095  -0.074
  630   1HD   PRO  78          HD2       PRO  78   5.274   8.727  -2.315
  631   2HD   PRO  78          HD3       PRO  78   3.681   7.970  -2.101
  632    H    THR  79           HN       THR  79   5.104  11.487  -3.247
  633    HA   THR  79           HA       THR  79   4.685  14.327  -2.942
  634    HB   THR  79           HB       THR  79   7.268  13.710  -4.014
  635    HG1  THR  79           HG1      THR  79   7.017  11.580  -3.307
  636   1HG2  THR  79          HG21      THR  79   8.035  14.785  -2.079
  637   2HG2  THR  79          HG22      THR  79   6.643  14.260  -1.130
  638   3HG2  THR  79          HG23      THR  79   6.451  15.511  -2.359
  639    H    VAL  80           HN       VAL  80   4.223  12.184  -5.461
  640    HA   VAL  80           HA       VAL  80   4.641  14.311  -7.452
  641    HB   VAL  80           HB       VAL  80   5.594  11.465  -7.611
  642   1HG1  VAL  80          HG11      VAL  80   6.068  12.435 -10.117
  643   2HG1  VAL  80          HG12      VAL  80   4.762  11.328  -9.690
  644   3HG1  VAL  80          HG13      VAL  80   4.454  13.062  -9.784
  645   1HG2  VAL  80          HG21      VAL  80   6.957  13.964  -8.558
  646   2HG2  VAL  80          HG22      VAL  80   7.036  13.435  -6.877
  647   3HG2  VAL  80          HG23      VAL  80   7.671  12.401  -8.159
  648    H    ASP  81           HN       ASP  81   3.127  11.156  -6.840
  649    HA   ASP  81           HA       ASP  81   1.255  11.551  -9.012
  650   1HB   ASP  81          HB2       ASP  81   2.391   9.316  -8.086
  651   2HB   ASP  81          HB3       ASP  81   0.930   9.287  -7.097
  652    H    LYS  82           HN       LYS  82  -1.053  10.433  -8.134
  653    HA   LYS  82           HA       LYS  82  -2.003  12.513  -6.291
  654   1HB   LYS  82          HB2       LYS  82  -4.268  11.979  -7.252
  655   2HB   LYS  82          HB3       LYS  82  -3.123  12.674  -8.391
  656   1HG   LYS  82          HG2       LYS  82  -2.812   9.888  -8.572
  657   2HG   LYS  82          HG3       LYS  82  -4.550  10.198  -8.536
  658   1HD   LYS  82          HD2       LYS  82  -4.489  11.476 -10.468
  659   2HD   LYS  82          HD3       LYS  82  -2.764  11.813 -10.307
  660   1HE   LYS  82          HE2       LYS  82  -3.563   8.980 -10.641
  661   2HE   LYS  82          HE3       LYS  82  -3.733  10.031 -12.047
  662   1HZ   LYS  82          HZ1       LYS  82  -1.297   9.218 -10.611
  663   2HZ   LYS  82          HZ2       LYS  82  -1.323  10.720 -11.402
  664   3HZ   LYS  82          HZ3       LYS  82  -1.595   9.296 -12.285
  665    H    GLN  83           HN       GLN  83  -1.703  11.629  -4.340
  666    HA   GLN  83           HA       GLN  83  -2.038   9.166  -3.310
  667   1HB   GLN  83          HB2       GLN  83  -1.408  10.969  -1.875
  668   2HB   GLN  83          HB3       GLN  83  -2.918  11.816  -2.167
  669   1HG   GLN  83          HG2       GLN  83  -2.940  10.860   0.035
  670   2HG   GLN  83          HG3       GLN  83  -4.127  10.036  -0.976
  671   1HE2  GLN  83          HE21      GLN  83  -4.141   7.927  -0.826
  672   2HE2  GLN  83          HE22      GLN  83  -2.816   6.917  -0.366
  673    H    ILE  84           HN       ILE  84  -3.551   7.715  -3.817
  674    HA   ILE  84           HA       ILE  84  -6.230   8.513  -4.438
  675    HB   ILE  84           HB       ILE  84  -5.453   5.641  -4.042
  676   1HG1  ILE  84          HG12      ILE  84  -5.173   6.610  -6.793
  677   2HG1  ILE  84          HG13      ILE  84  -3.965   7.287  -5.699
  678   1HG2  ILE  84          HG21      ILE  84  -7.433   7.123  -5.751
  679   2HG2  ILE  84          HG22      ILE  84  -7.033   5.426  -6.018
  680   3HG2  ILE  84          HG23      ILE  84  -7.744   5.934  -4.486
  681   1HD1  ILE  84          HD11      ILE  84  -2.808   5.428  -6.051
  682   2HD1  ILE  84          HD12      ILE  84  -4.015   4.594  -5.071
  683   3HD1  ILE  84          HD13      ILE  84  -4.180   4.637  -6.827
  684    H    LYS  85           HN       LYS  85  -7.591   9.026  -2.851
  685    HA   LYS  85           HA       LYS  85  -7.773   7.171  -0.586
  686   1HB   LYS  85          HB2       LYS  85  -8.284   9.047   0.919
  687   2HB   LYS  85          HB3       LYS  85  -6.667   9.171   0.249
  688   1HG   LYS  85          HG2       LYS  85  -7.243  10.962  -1.130
  689   2HG   LYS  85          HG3       LYS  85  -8.971  10.635  -0.982
  690   1HD   LYS  85          HD2       LYS  85  -8.775  11.199   1.456
  691   2HD   LYS  85          HD3       LYS  85  -7.123  11.730   1.134
  692   1HE   LYS  85          HE2       LYS  85  -9.534  12.828  -0.301
  693   2HE   LYS  85          HE3       LYS  85  -8.866  13.547   1.164
  694   1HZ   LYS  85          HZ1       LYS  85  -7.652  14.725  -0.283
  695   2HZ   LYS  85          HZ2       LYS  85  -7.874  13.622  -1.550
  696   3HZ   LYS  85          HZ3       LYS  85  -6.685  13.335  -0.372
  697    H    ILE  86           HN       ILE  86  -9.912   7.145   0.417
  698    HA   ILE  86           HA       ILE  86 -12.013   7.945  -1.482
  699    HB   ILE  86           HB       ILE  86 -12.769   5.548  -0.082
  700   1HG1  ILE  86          HG12      ILE  86 -10.749   4.759  -2.061
  701   2HG1  ILE  86          HG13      ILE  86 -10.084   5.464  -0.593
  702   1HG2  ILE  86          HG21      ILE  86 -12.361   5.907  -3.033
  703   2HG2  ILE  86          HG22      ILE  86 -13.512   4.859  -2.203
  704   3HG2  ILE  86          HG23      ILE  86 -13.725   6.611  -2.158
  705   1HD1  ILE  86          HD11      ILE  86 -11.450   2.895  -1.011
  706   2HD1  ILE  86          HD12      ILE  86 -10.153   3.332   0.104
  707   3HD1  ILE  86          HD13      ILE  86 -11.826   3.745   0.488
  708    H    GLU  87           HN       GLU  87 -14.067   8.287  -0.584
  709    HA   GLU  87           HA       GLU  87 -14.010   8.884   2.278
  710   1HB   GLU  87          HB2       GLU  87 -16.326   9.906   1.686
  711   2HB   GLU  87          HB3       GLU  87 -14.869  10.751   1.184
  712   1HG   GLU  87          HG2       GLU  87 -15.282  10.436  -1.004
  713   2HG   GLU  87          HG3       GLU  87 -15.948   8.822  -0.756
  714    H    LEU  88           HN       LEU  88 -14.342   7.034   3.334
  715    HA   LEU  88           HA       LEU  88 -16.058   4.966   2.405
  716   1HB   LEU  88          HB2       LEU  88 -14.512   4.023   3.771
  717   2HB   LEU  88          HB3       LEU  88 -14.344   5.467   4.751
  718    HG   LEU  88           HG       LEU  88 -16.858   4.537   5.427
  719   1HD1  LEU  88          HD11      LEU  88 -15.313   2.104   5.848
  720   2HD1  LEU  88          HD12      LEU  88 -16.990   2.312   5.345
  721   3HD1  LEU  88          HD13      LEU  88 -15.695   2.409   4.154
  722   1HD2  LEU  88          HD21      LEU  88 -15.936   4.907   7.406
  723   2HD2  LEU  88          HD22      LEU  88 -14.927   3.473   7.227
  724   3HD2  LEU  88          HD23      LEU  88 -14.354   5.032   6.637
  725    HA   PRO  89           HA       PRO  89 -19.960   6.641   3.740
  726   1HB   PRO  89          HB2       PRO  89 -20.732   3.780   3.914
  727   2HB   PRO  89          HB3       PRO  89 -21.485   5.093   3.003
  728   1HG   PRO  89          HG2       PRO  89 -20.051   3.202   1.777
  729   2HG   PRO  89          HG3       PRO  89 -20.008   4.889   1.232
  730   1HD   PRO  89          HD2       PRO  89 -17.998   3.357   2.830
  731   2HD   PRO  89          HD3       PRO  89 -17.743   4.575   1.563
  732    HA   PRO  90           HA       PRO  90 -19.090   6.228   8.089
  733   1HB   PRO  90          HB2       PRO  90 -21.509   7.889   8.394
  734   2HB   PRO  90          HB3       PRO  90 -19.849   8.218   8.899
  735   1HG   PRO  90          HG2       PRO  90 -20.962   9.521   6.841
  736   2HG   PRO  90          HG3       PRO  90 -19.247   9.068   6.838
  737   1HD   PRO  90          HD2       PRO  90 -21.557   7.754   5.452
  738   2HD   PRO  90          HD3       PRO  90 -19.915   8.073   4.850
  739    H    LYS  91           HN       LYS  91 -19.612   4.084   8.419
  740    HA   LYS  91           HA       LYS  91 -20.685   2.418   9.538
  741   1HB   LYS  91          HB2       LYS  91 -21.693   4.105  11.009
  742   2HB   LYS  91          HB3       LYS  91 -22.971   4.377   9.834
  743   1HG   LYS  91          HG2       LYS  91 -22.903   1.602  10.419
  744   2HG   LYS  91          HG3       LYS  91 -22.873   2.491  11.944
  745   1HD   LYS  91          HD2       LYS  91 -25.011   3.086  11.730
  746   2HD   LYS  91          HD3       LYS  91 -24.754   3.653  10.078
  747   1HE   LYS  91          HE2       LYS  91 -25.048   0.740  10.776
  748   2HE   LYS  91          HE3       LYS  91 -26.425   1.769  10.383
  749   1HZ   LYS  91          HZ1       LYS  91 -25.668   0.583   8.436
  750   2HZ   LYS  91          HZ2       LYS  91 -24.100   1.208   8.617
  751   3HZ   LYS  91          HZ3       LYS  91 -25.386   2.246   8.237
  Start of MODEL    2
    1   1H    GLY   1          H1        GLY   1  13.244  -9.379  12.418
    2   2H    GLY   1          H2        GLY   1  13.054  -7.914  11.580
    3   3H    GLY   1          H3        GLY   1  14.399  -8.904  11.268
    4   1HA   GLY   1          HA2       GLY   1  11.569  -9.531  10.657
    5   2HA   GLY   1          HA1       GLY   1  12.828  -9.141   9.491
    6    H    SER   2           HN       SER   2  11.085 -11.580  10.135
    7    HA   SER   2           HA       SER   2  13.294 -13.533  10.172
    8   1HB   SER   2          HB2       SER   2  10.531 -14.442  10.760
    9   2HB   SER   2          HB3       SER   2  12.062 -14.940  11.481
   10    HG   SER   2           HG       SER   2  11.241 -13.773  13.072
   11    H    MET   3           HN       MET   3  10.661 -12.211   8.482
   12    HA   MET   3           HA       MET   3  11.050 -14.150   6.310
   13   1HB   MET   3          HB2       MET   3   8.899 -14.628   7.376
   14   2HB   MET   3          HB3       MET   3   8.428 -12.941   7.213
   15   1HG   MET   3          HG2       MET   3   7.782 -13.203   5.096
   16   2HG   MET   3          HG3       MET   3   9.196 -14.170   4.685
   17   1HE   MET   3          HE1       MET   3   8.639 -17.469   4.840
   18   2HE   MET   3          HE2       MET   3   9.575 -16.330   5.807
   19   3HE   MET   3          HE3       MET   3   8.353 -17.343   6.577
   20    HA   PRO   4           HA       PRO   4  12.201 -10.438   4.128
   21   1HB   PRO   4          HB2       PRO   4  11.791 -11.534   1.600
   22   2HB   PRO   4          HB3       PRO   4  13.290 -11.636   2.529
   23   1HG   PRO   4          HG2       PRO   4  11.096 -13.640   2.239
   24   2HG   PRO   4          HG3       PRO   4  12.849 -13.897   2.329
   25   1HD   PRO   4          HD2       PRO   4  11.257 -14.374   4.429
   26   2HD   PRO   4          HD3       PRO   4  12.884 -13.691   4.642
   27    H    THR   5           HN       THR   5  10.695  -8.879   4.304
   28    HA   THR   5           HA       THR   5   8.004  -9.266   3.328
   29    HB   THR   5           HB       THR   5   8.750  -6.547   4.144
   30    HG1  THR   5           HG1      THR   5   9.268  -8.799   5.797
   31   1HG2  THR   5          HG21      THR   5   6.829  -8.260   5.630
   32   2HG2  THR   5          HG22      THR   5   6.447  -7.878   3.951
   33   3HG2  THR   5          HG23      THR   5   6.684  -6.579   5.121
   34    H    THR   6           HN       THR   6   8.461  -9.546   1.112
   35    HA   THR   6           HA       THR   6   9.718  -7.518  -0.450
   36    HB   THR   6           HB       THR   6   7.948  -9.195  -1.991
   37    HG1  THR   6           HG1      THR   6   8.076 -10.998  -0.896
   38   1HG2  THR   6          HG21      THR   6  10.730  -9.935  -2.106
   39   2HG2  THR   6          HG22      THR   6  10.560  -8.181  -2.102
   40   3HG2  THR   6          HG23      THR   6   9.735  -9.144  -3.326
   41    H    CYS   7           HN       CYS   7   8.856  -5.689  -1.211
   42    HA   CYS   7           HA       CYS   7   6.129  -4.997  -0.827
   43   1HB   CYS   7          HB2       CYS   7   8.006  -3.354  -0.908
   44   2HB   CYS   7          HB3       CYS   7   8.172  -3.680  -2.628
   45    H    GLY   8           HN       GLY   8   4.503  -4.815  -2.318
   46   1HA   GLY   8          HA1       GLY   8   4.809  -6.576  -4.647
   47   2HA   GLY   8          HA2       GLY   8   3.285  -6.089  -3.915
   48    H    PHE   9           HN       PHE   9   5.279  -3.436  -4.119
   49    HA   PHE   9           HA       PHE   9   3.642  -2.336  -6.229
   50   1HB   PHE   9          HB2       PHE   9   4.994  -1.300  -3.993
   51   2HB   PHE   9          HB3       PHE   9   5.769  -0.585  -5.406
   52    HD1  PHE   9           HD1      PHE   9   4.589   0.930  -6.837
   53    HD2  PHE   9           HD2      PHE   9   2.645  -0.906  -3.528
   54    HE1  PHE   9           HE1      PHE   9   2.722   2.511  -7.061
   55    HE2  PHE   9           HE2      PHE   9   0.771   0.670  -3.744
   56    HZ   PHE   9           HZ       PHE   9   0.817   2.390  -5.523
   57    HA   PRO  10           HA       PRO  10   6.522  -3.139  -9.511
   58   1HB   PRO  10          HB2       PRO  10   5.524  -1.336 -11.303
   59   2HB   PRO  10          HB3       PRO  10   4.790  -2.911 -10.992
   60   1HG   PRO  10          HG2       PRO  10   4.039  -0.224  -9.911
   61   2HG   PRO  10          HG3       PRO  10   2.990  -1.529 -10.497
   62   1HD   PRO  10          HD2       PRO  10   3.390  -1.088  -7.870
   63   2HD   PRO  10          HD3       PRO  10   3.161  -2.722  -8.526
   64    H    ASN  11           HN       ASN  11   6.035  -0.080  -8.031
   65    HA   ASN  11           HA       ASN  11   8.746   0.703  -8.796
   66   1HB   ASN  11          HB2       ASN  11   6.884   1.871 -10.206
   67   2HB   ASN  11          HB3       ASN  11   6.611   2.811  -8.741
   68   1HD2  ASN  11          HD21      ASN  11   7.928   3.146 -11.567
   69   2HD2  ASN  11          HD22      ASN  11   9.344   4.079 -11.196
   70    H    CYS  12           HN       CYS  12   8.842  -0.243  -6.542
   71    HA   CYS  12           HA       CYS  12   8.095   1.606  -4.454
   72   1HB   CYS  12          HB2       CYS  12   8.129  -0.886  -4.130
   73   2HB   CYS  12          HB3       CYS  12   9.884  -0.822  -4.267
   74    H    LYS  13           HN       LYS  13   9.184   3.472  -5.088
   75    HA   LYS  13           HA       LYS  13  12.073   3.405  -5.349
   76   1HB   LYS  13          HB2       LYS  13  11.910   5.727  -5.969
   77   2HB   LYS  13          HB3       LYS  13  10.691   4.817  -6.846
   78   1HG   LYS  13          HG2       LYS  13   9.074   6.098  -6.042
   79   2HG   LYS  13          HG3       LYS  13   9.597   5.807  -4.381
   80   1HD   LYS  13          HD2       LYS  13   9.720   8.150  -4.730
   81   2HD   LYS  13          HD3       LYS  13  11.381   7.551  -4.764
   82   1HE   LYS  13          HE2       LYS  13  11.673   8.310  -6.837
   83   2HE   LYS  13          HE3       LYS  13  10.226   7.476  -7.398
   84   1HZ   LYS  13          HZ1       LYS  13   9.541   9.573  -7.762
   85   2HZ   LYS  13          HZ2       LYS  13  10.581  10.250  -6.605
   86   3HZ   LYS  13          HZ3       LYS  13   9.125   9.520  -6.115
   87    H    PHE  14           HN       PHE  14  10.025   3.414  -2.810
   88    HA   PHE  14           HA       PHE  14  11.472   5.377  -1.216
   89   1HB   PHE  14          HB2       PHE  14   9.089   3.647  -0.533
   90   2HB   PHE  14          HB3       PHE  14   9.780   4.883   0.515
   91    HD1  PHE  14           HD1      PHE  14  10.079   7.240  -0.782
   92    HD2  PHE  14           HD2      PHE  14   7.191   4.238  -1.663
   93    HE1  PHE  14           HE1      PHE  14   8.639   8.934  -1.833
   94    HE2  PHE  14           HE2      PHE  14   5.752   5.929  -2.716
   95    HZ   PHE  14           HZ       PHE  14   6.475   8.281  -2.801
   96    H    ARG  15           HN       ARG  15  10.423   2.010  -0.718
   97    HA   ARG  15           HA       ARG  15  12.085   1.451   1.416
   98   1HB   ARG  15          HB2       ARG  15  10.210   0.056   0.878
   99   2HB   ARG  15          HB3       ARG  15  10.881  -0.328  -0.698
  100   1HG   ARG  15          HG2       ARG  15  12.848  -1.290   0.724
  101   2HG   ARG  15          HG3       ARG  15  11.612  -1.366   1.980
  102   1HD   ARG  15          HD2       ARG  15  12.026  -3.370   0.293
  103   2HD   ARG  15          HD3       ARG  15  10.418  -2.976   0.896
  104    HE   ARG  15           HE       ARG  15  10.392  -1.541  -1.299
  105   1HH1  ARG  15          HH12      ARG  15  11.699  -4.767  -0.861
  106   2HH1  ARG  15          HH11      ARG  15  11.346  -5.262  -2.488
  107   1HH2  ARG  15          HH22      ARG  15   9.958  -2.182  -3.431
  108   2HH2  ARG  15          HH21      ARG  15  10.357  -3.794  -3.948
  109    H    SER  16           HN       SER  16  12.721   1.284  -2.034
  110    HA   SER  16           HA       SER  16  15.249  -0.059  -1.698
  111   1HB   SER  16          HB2       SER  16  14.374   1.312  -4.224
  112   2HB   SER  16          HB3       SER  16  15.360  -0.138  -4.037
  113    HG   SER  16           HG       SER  16  12.598   0.159  -4.031
  114    H    ARG  17           HN       ARG  17  14.319   3.062  -1.145
  115    HA   ARG  17           HA       ARG  17  16.699   4.331  -2.242
  116   1HB   ARG  17          HB2       ARG  17  14.343   5.363  -2.166
  117   2HB   ARG  17          HB3       ARG  17  14.654   5.635  -0.457
  118   1HG   ARG  17          HG2       ARG  17  16.563   7.015  -0.990
  119   2HG   ARG  17          HG3       ARG  17  16.346   6.692  -2.712
  120   1HD   ARG  17          HD2       ARG  17  15.374   8.790  -2.398
  121   2HD   ARG  17          HD3       ARG  17  13.999   7.684  -2.398
  122    HE   ARG  17           HE       ARG  17  13.554   8.320  -0.257
  123   1HH1  ARG  17          HH12      ARG  17  16.871   9.193  -0.981
  124   2HH1  ARG  17          HH11      ARG  17  17.161   9.896   0.585
  125   1HH2  ARG  17          HH22      ARG  17  13.933   9.265   1.793
  126   2HH2  ARG  17          HH21      ARG  17  15.494   9.948   2.143
  127    H    TYR  18           HN       TYR  18  15.647   2.885   0.668
  128    HA   TYR  18           HA       TYR  18  17.729   4.252   2.224
  129   1HB   TYR  18          HB2       TYR  18  15.378   2.590   3.158
  130   2HB   TYR  18          HB3       TYR  18  16.561   3.354   4.215
  131    HD1  TYR  18           HD1      TYR  18  16.394   5.661   4.773
  132    HD2  TYR  18           HD2      TYR  18  13.846   4.009   1.798
  133    HE1  TYR  18           HE1      TYR  18  15.053   7.722   4.788
  134    HE2  TYR  18           HE2      TYR  18  12.502   6.065   1.797
  135    HH   TYR  18           HH       TYR  18  12.073   7.996   2.890
  136    H    ARG  19           HN       ARG  19  19.474   3.196   2.916
  137    HA   ARG  19           HA       ARG  19  20.186   0.720   1.807
  138   1HB   ARG  19          HB2       ARG  19  21.367   2.587   3.768
  139   2HB   ARG  19          HB3       ARG  19  21.904   0.916   3.899
  140   1HG   ARG  19          HG2       ARG  19  23.334   2.362   2.453
  141   2HG   ARG  19          HG3       ARG  19  22.716   0.910   1.665
  142   1HD   ARG  19          HD2       ARG  19  21.071   2.151   0.480
  143   2HD   ARG  19          HD3       ARG  19  21.377   3.598   1.439
  144    HE   ARG  19           HE       ARG  19  23.768   3.013   0.205
  145   1HH1  ARG  19          HH12      ARG  19  20.497   3.694  -0.826
  146   2HH1  ARG  19          HH11      ARG  19  20.970   4.444  -2.321
  147   1HH2  ARG  19          HH22      ARG  19  24.419   4.001  -1.766
  148   2HH2  ARG  19          HH21      ARG  19  23.202   4.620  -2.853
  149    H    GLY  20           HN       GLY  20  19.637  -1.272   2.330
  150   1HA   GLY  20          HA1       GLY  20  19.391  -2.955   4.125
  151   2HA   GLY  20          HA2       GLY  20  18.482  -1.735   5.013
  152    H    LEU  21           HN       LEU  21  17.337  -0.827   2.407
  153    HA   LEU  21           HA       LEU  21  15.396  -1.041   1.288
  154   1HB   LEU  21          HB2       LEU  21  16.833  -3.566   0.936
  155   2HB   LEU  21          HB3       LEU  21  15.110  -3.681   0.626
  156    HG   LEU  21           HG       LEU  21  15.673  -1.448  -0.773
  157   1HD1  LEU  21          HD11      LEU  21  17.944  -2.841  -1.824
  158   2HD1  LEU  21          HD12      LEU  21  17.814  -1.172  -1.270
  159   3HD1  LEU  21          HD13      LEU  21  18.210  -2.452  -0.125
  160   1HD2  LEU  21          HD21      LEU  21  14.549  -2.933  -2.039
  161   2HD2  LEU  21          HD22      LEU  21  16.151  -3.322  -2.664
  162   3HD2  LEU  21          HD23      LEU  21  15.435  -4.313  -1.393
  163    H    GLU  22           HN       GLU  22  14.978  -0.947   3.948
  164    HA   GLU  22           HA       GLU  22  12.722  -2.806   4.298
  165   1HB   GLU  22          HB2       GLU  22  14.903  -2.215   6.040
  166   2HB   GLU  22          HB3       GLU  22  13.428  -1.612   6.782
  167   1HG   GLU  22          HG2       GLU  22  12.449  -3.729   6.843
  168   2HG   GLU  22          HG3       GLU  22  13.602  -4.393   5.687
  169    H    ASP  23           HN       ASP  23  13.311   0.121   3.289
  170    HA   ASP  23           HA       ASP  23  12.076   1.990   2.959
  171   1HB   ASP  23          HB2       ASP  23  10.145   0.375   2.899
  172   2HB   ASP  23          HB3       ASP  23   9.872   0.737   4.602
  173    H    ASN  24           HN       ASN  24  12.485   0.798   6.172
  174    HA   ASN  24           HA       ASN  24  13.019   1.815   8.131
  175   1HB   ASN  24          HB2       ASN  24  14.178   3.517   6.553
  176   2HB   ASN  24          HB3       ASN  24  12.779   4.538   6.875
  177   1HD2  ASN  24          HD21      ASN  24  13.158   5.973   8.387
  178   2HD2  ASN  24          HD22      ASN  24  14.147   5.744   9.785
  179    H    ARG  25           HN       ARG  25  10.276   1.619   6.765
  180    HA   ARG  25           HA       ARG  25   8.832   3.037   8.887
  181   1HB   ARG  25          HB2       ARG  25   8.099   2.840   5.961
  182   2HB   ARG  25          HB3       ARG  25   6.958   3.327   7.205
  183   1HG   ARG  25          HG2       ARG  25   8.113   5.313   7.651
  184   2HG   ARG  25          HG3       ARG  25   9.562   4.757   6.811
  185   1HD   ARG  25          HD2       ARG  25   8.529   4.976   4.693
  186   2HD   ARG  25          HD3       ARG  25   6.934   5.178   5.413
  187    HE   ARG  25           HE       ARG  25   9.077   7.190   5.327
  188   1HH1  ARG  25          HH12      ARG  25   5.782   6.321   6.099
  189   2HH1  ARG  25          HH11      ARG  25   5.232   7.959   6.223
  190   1HH2  ARG  25          HH22      ARG  25   8.345   9.368   5.434
  191   2HH2  ARG  25          HH21      ARG  25   6.683   9.691   5.830
  192    H    HIS  26           HN       HIS  26   6.304   2.047   8.347
  193    HA   HIS  26           HA       HIS  26   6.646  -0.711   9.210
  194   1HB   HIS  26          HB2       HIS  26   5.174   0.907  10.453
  195   2HB   HIS  26          HB3       HIS  26   4.108   0.930   9.054
  196    HD2  HIS  26           HD2      HIS  26   1.990  -0.288  10.245
  197    HE1  HIS  26           HE1      HIS  26   4.018  -3.876  11.205
  198    HE2  HIS  26           HE2      HIS  26   1.801  -2.652  11.302
  199    H    PHE  27           HN       PHE  27   5.601  -2.470   8.223
  200    HA   PHE  27           HA       PHE  27   4.884  -2.026   5.412
  201   1HB   PHE  27          HB2       PHE  27   6.235  -4.220   6.849
  202   2HB   PHE  27          HB3       PHE  27   5.044  -4.741   5.659
  203    HD1  PHE  27           HD1      PHE  27   8.049  -2.609   6.097
  204    HD2  PHE  27           HD2      PHE  27   5.559  -4.747   3.383
  205    HE1  PHE  27           HE1      PHE  27   9.682  -2.223   4.300
  206    HE2  PHE  27           HE2      PHE  27   7.194  -4.371   1.584
  207    HZ   PHE  27           HZ       PHE  27   9.257  -3.106   2.041
  208    H    TYR  28           HN       TYR  28   2.827  -2.067   4.881
  209    HA   TYR  28           HA       TYR  28   0.868  -2.847   6.887
  210   1HB   TYR  28          HB2       TYR  28   0.763  -1.305   4.312
  211   2HB   TYR  28          HB3       TYR  28  -0.714  -1.890   5.068
  212    HD1  TYR  28           HD1      TYR  28   0.436  -1.462   7.964
  213    HD2  TYR  28           HD2      TYR  28   0.122   1.009   4.515
  214    HE1  TYR  28           HE1      TYR  28   0.376   0.528   9.406
  215    HE2  TYR  28           HE2      TYR  28   0.068   3.009   5.949
  216    HH   TYR  28           HH       TYR  28   0.556   3.759   8.098
  217    H    ARG  29           HN       ARG  29  -0.807  -4.284   6.535
  218    HA   ARG  29           HA       ARG  29  -0.416  -6.249   4.413
  219   1HB   ARG  29          HB2       ARG  29  -2.773  -6.538   6.149
  220   2HB   ARG  29          HB3       ARG  29  -1.553  -7.722   5.705
  221   1HG   ARG  29          HG2       ARG  29  -0.786  -5.573   7.598
  222   2HG   ARG  29          HG3       ARG  29  -1.837  -6.865   8.180
  223   1HD   ARG  29          HD2       ARG  29   0.275  -8.027   6.670
  224   2HD   ARG  29          HD3       ARG  29   0.974  -6.893   7.827
  225    HE   ARG  29           HE       ARG  29  -0.253  -9.411   8.409
  226   1HH1  ARG  29          HH12      ARG  29   0.400  -6.203   9.691
  227   2HH1  ARG  29          HH11      ARG  29   0.197  -6.687  11.348
  228   1HH2  ARG  29          HH22      ARG  29  -0.491 -10.045  10.608
  229   2HH2  ARG  29          HH21      ARG  29  -0.285  -8.858  11.865
  230    H    ILE  30           HN       ILE  30  -2.512  -6.968   3.294
  231    HA   ILE  30           HA       ILE  30  -3.699  -4.628   2.105
  232    HB   ILE  30           HB       ILE  30  -4.460  -7.492   1.545
  233   1HG1  ILE  30          HG12      ILE  30  -2.589  -6.281  -0.329
  234   2HG1  ILE  30          HG13      ILE  30  -1.902  -6.436   1.284
  235   1HG2  ILE  30          HG21      ILE  30  -4.667  -4.928  -0.024
  236   2HG2  ILE  30          HG22      ILE  30  -4.939  -6.527  -0.718
  237   3HG2  ILE  30          HG23      ILE  30  -5.985  -5.939   0.575
  238   1HD1  ILE  30          HD11      ILE  30  -3.105  -8.652  -0.353
  239   2HD1  ILE  30          HD12      ILE  30  -1.387  -8.375  -0.068
  240   3HD1  ILE  30          HD13      ILE  30  -2.445  -8.821   1.273
  241    HA   PRO  31           HA       PRO  31  -7.074  -4.491   5.098
  242   1HB   PRO  31          HB2       PRO  31  -8.077  -2.612   3.011
  243   2HB   PRO  31          HB3       PRO  31  -7.917  -2.377   4.759
  244   1HG   PRO  31          HG2       PRO  31  -6.232  -1.236   3.026
  245   2HG   PRO  31          HG3       PRO  31  -5.675  -1.816   4.607
  246   1HD   PRO  31          HD2       PRO  31  -5.309  -3.012   1.900
  247   2HD   PRO  31          HD3       PRO  31  -4.224  -3.039   3.303
  248    H    LYS  32           HN       LYS  32  -9.047  -5.485   5.151
  249    HA   LYS  32           HA       LYS  32 -10.198  -6.329   2.573
  250   1HB   LYS  32          HB2       LYS  32 -11.018  -8.388   3.863
  251   2HB   LYS  32          HB3       LYS  32  -9.316  -8.337   3.429
  252   1HG   LYS  32          HG2       LYS  32  -9.759  -7.157   6.024
  253   2HG   LYS  32          HG3       LYS  32 -10.395  -8.801   5.946
  254   1HD   LYS  32          HD2       LYS  32  -7.656  -8.181   4.904
  255   2HD   LYS  32          HD3       LYS  32  -7.919  -8.423   6.631
  256   1HE   LYS  32          HE2       LYS  32  -8.847 -10.406   4.575
  257   2HE   LYS  32          HE3       LYS  32  -7.218 -10.447   5.246
  258   1HZ   LYS  32          HZ1       LYS  32  -9.710 -11.270   6.424
  259   2HZ   LYS  32          HZ2       LYS  32  -8.785 -10.286   7.455
  260   3HZ   LYS  32          HZ3       LYS  32  -8.122 -11.715   6.820
  261    H    ARG  33           HN       ARG  33 -10.600  -4.200   4.734
  262    HA   ARG  33           HA       ARG  33 -13.515  -4.395   4.745
  263   1HB   ARG  33          HB2       ARG  33 -13.023  -5.152   6.943
  264   2HB   ARG  33          HB3       ARG  33 -11.763  -3.946   7.160
  265   1HG   ARG  33          HG2       ARG  33 -13.206  -2.417   7.902
  266   2HG   ARG  33          HG3       ARG  33 -14.381  -2.777   6.637
  267   1HD   ARG  33          HD2       ARG  33 -13.980  -4.637   8.954
  268   2HD   ARG  33          HD3       ARG  33 -15.028  -3.225   9.092
  269    HE   ARG  33           HE       ARG  33 -16.377  -4.156   7.291
  270   1HH1  ARG  33          HH12      ARG  33 -14.143  -6.318   8.920
  271   2HH1  ARG  33          HH11      ARG  33 -14.971  -7.762   8.408
  272   1HH2  ARG  33          HH22      ARG  33 -17.466  -6.035   6.624
  273   2HH2  ARG  33          HH21      ARG  33 -16.879  -7.599   7.114
  274    HA   PRO  34           HA       PRO  34 -14.777  -3.672   3.859
  275   1HB   PRO  34          HB2       PRO  34 -15.957  -2.278   1.908
  276   2HB   PRO  34          HB3       PRO  34 -16.240  -1.891   3.610
  277   1HG   PRO  34          HG2       PRO  34 -14.480  -0.527   1.620
  278   2HG   PRO  34          HG3       PRO  34 -15.502   0.182   2.883
  279   1HD   PRO  34          HD2       PRO  34 -12.764  -0.221   3.083
  280   2HD   PRO  34          HD3       PRO  34 -13.866  -0.007   4.457
  281    H    LEU  35           HN       LEU  35 -15.433  -4.482   1.533
  282    HA   LEU  35           HA       LEU  35 -13.056  -5.486   0.346
  283   1HB   LEU  35          HB2       LEU  35 -15.588  -6.359   0.414
  284   2HB   LEU  35          HB3       LEU  35 -15.604  -5.603  -1.166
  285    HG   LEU  35           HG       LEU  35 -13.269  -7.273  -0.886
  286   1HD1  LEU  35          HD11      LEU  35 -14.216  -8.807   0.493
  287   2HD1  LEU  35          HD12      LEU  35 -15.865  -8.376   0.030
  288   3HD1  LEU  35          HD13      LEU  35 -14.882  -9.379  -1.039
  289   1HD2  LEU  35          HD21      LEU  35 -14.638  -6.375  -2.929
  290   2HD2  LEU  35          HD22      LEU  35 -13.843  -7.948  -3.011
  291   3HD2  LEU  35          HD23      LEU  35 -15.575  -7.851  -2.690
  292    H    ILE  36           HN       ILE  36 -15.191  -2.833  -0.390
  293    HA   ILE  36           HA       ILE  36 -14.361  -2.339  -3.036
  294    HB   ILE  36           HB       ILE  36 -15.364  -0.319  -1.027
  295   1HG1  ILE  36          HG12      ILE  36 -16.966  -2.095  -1.155
  296   2HG1  ILE  36          HG13      ILE  36 -17.582  -0.766  -2.129
  297   1HG2  ILE  36          HG21      ILE  36 -14.275   0.289  -3.382
  298   2HG2  ILE  36          HG22      ILE  36 -15.911  -0.078  -3.928
  299   3HG2  ILE  36          HG23      ILE  36 -15.646   1.175  -2.716
  300   1HD1  ILE  36          HD11      ILE  36 -17.740  -2.096  -3.888
  301   2HD1  ILE  36          HD12      ILE  36 -16.027  -2.496  -3.782
  302   3HD1  ILE  36          HD13      ILE  36 -17.212  -3.446  -2.882
  303    H    LEU  37           HN       LEU  37 -13.114  -1.276   0.080
  304    HA   LEU  37           HA       LEU  37 -11.150   0.495  -0.947
  305   1HB   LEU  37          HB2       LEU  37 -11.605   0.842   1.296
  306   2HB   LEU  37          HB3       LEU  37 -11.605  -0.872   1.667
  307    HG   LEU  37           HG       LEU  37  -9.063  -0.732   1.135
  308   1HD1  LEU  37          HD11      LEU  37  -9.280   1.621   0.266
  309   2HD1  LEU  37          HD12      LEU  37  -9.534   2.127   1.936
  310   3HD1  LEU  37          HD13      LEU  37  -8.015   1.362   1.467
  311   1HD2  LEU  37          HD21      LEU  37  -8.907   0.424   3.576
  312   2HD2  LEU  37          HD22      LEU  37 -10.599  -0.062   3.546
  313   3HD2  LEU  37          HD23      LEU  37  -9.331  -1.264   3.302
  314    H    ARG  38           HN       ARG  38 -11.143  -2.916  -0.072
  315    HA   ARG  38           HA       ARG  38  -8.419  -3.423  -0.558
  316   1HB   ARG  38          HB2       ARG  38  -9.792  -4.977   0.674
  317   2HB   ARG  38          HB3       ARG  38 -10.844  -5.226  -0.711
  318   1HG   ARG  38          HG2       ARG  38  -9.169  -6.428  -1.867
  319   2HG   ARG  38          HG3       ARG  38  -7.933  -5.920  -0.713
  320   1HD   ARG  38          HD2       ARG  38  -8.635  -7.372   0.907
  321   2HD   ARG  38          HD3       ARG  38 -10.292  -7.399   0.310
  322    HE   ARG  38           HE       ARG  38  -9.419  -8.806  -1.557
  323   1HH1  ARG  38          HH12      ARG  38  -7.681  -8.628   1.477
  324   2HH1  ARG  38          HH11      ARG  38  -6.988 -10.217   1.332
  325   1HH2  ARG  38          HH22      ARG  38  -8.527 -10.862  -1.774
  326   2HH2  ARG  38          HH21      ARG  38  -7.477 -11.506  -0.546
  327    H    GLN  39           HN       GLN  39 -11.274  -3.528  -2.628
  328    HA   GLN  39           HA       GLN  39 -10.064  -4.495  -4.972
  329   1HB   GLN  39          HB2       GLN  39 -12.543  -4.223  -4.469
  330   2HB   GLN  39          HB3       GLN  39 -12.341  -2.523  -4.869
  331   1HG   GLN  39          HG2       GLN  39 -12.606  -2.982  -7.008
  332   2HG   GLN  39          HG3       GLN  39 -11.216  -4.066  -6.966
  333   1HE2  GLN  39          HE21      GLN  39 -14.609  -4.002  -5.943
  334   2HE2  GLN  39          HE22      GLN  39 -14.969  -5.624  -6.446
  335    H    ARG  40           HN       ARG  40 -10.412  -1.235  -3.674
  336    HA   ARG  40           HA       ARG  40  -9.332   0.067  -5.973
  337   1HB   ARG  40          HB2       ARG  40  -9.801   0.973  -3.134
  338   2HB   ARG  40          HB3       ARG  40  -9.121   2.025  -4.368
  339   1HG   ARG  40          HG2       ARG  40 -11.386   0.981  -5.560
  340   2HG   ARG  40          HG3       ARG  40 -11.867   1.269  -3.886
  341   1HD   ARG  40          HD2       ARG  40 -11.945   3.467  -4.221
  342   2HD   ARG  40          HD3       ARG  40 -10.309   3.474  -4.878
  343    HE   ARG  40           HE       ARG  40 -11.172   3.451  -7.012
  344   1HH1  ARG  40          HH12      ARG  40 -13.743   2.898  -4.701
  345   2HH1  ARG  40          HH11      ARG  40 -15.007   3.063  -5.876
  346   1HH2  ARG  40          HH22      ARG  40 -12.831   3.682  -8.555
  347   2HH2  ARG  40          HH21      ARG  40 -14.492   3.535  -8.063
  348    H    TRP  41           HN       TRP  41  -8.005  -1.458  -3.170
  349    HA   TRP  41           HA       TRP  41  -5.500  -0.180  -3.062
  350   1HB   TRP  41          HB2       TRP  41  -6.770  -2.514  -1.889
  351   2HB   TRP  41          HB3       TRP  41  -5.069  -2.811  -2.243
  352    HD1  TRP  41           HD1      TRP  41  -7.091   0.055  -0.582
  353    HE1  TRP  41           HE1      TRP  41  -5.743   0.876   1.442
  354    HE3  TRP  41           HE3      TRP  41  -3.054  -3.043  -0.999
  355    HZ2  TRP  41           HZ2      TRP  41  -3.291   0.259   2.718
  356    HZ3  TRP  41           HZ3      TRP  41  -1.249  -2.863   0.662
  357    HH2  TRP  41           HH2      TRP  41  -1.365  -1.233   2.474
  358    H    LEU  42           HN       LEU  42  -6.657  -2.990  -4.866
  359    HA   LEU  42           HA       LEU  42  -4.158  -3.713  -5.975
  360   1HB   LEU  42          HB2       LEU  42  -6.583  -4.240  -7.577
  361   2HB   LEU  42          HB3       LEU  42  -5.276  -5.318  -7.128
  362    HG   LEU  42           HG       LEU  42  -7.408  -4.440  -5.183
  363   1HD1  LEU  42          HD11      LEU  42  -8.396  -5.602  -7.124
  364   2HD1  LEU  42          HD12      LEU  42  -7.327  -6.968  -6.812
  365   3HD1  LEU  42          HD13      LEU  42  -8.545  -6.514  -5.624
  366   1HD2  LEU  42          HD21      LEU  42  -4.977  -5.880  -4.917
  367   2HD2  LEU  42          HD22      LEU  42  -6.203  -5.555  -3.690
  368   3HD2  LEU  42          HD23      LEU  42  -6.308  -7.013  -4.680
  369    H    THR  43           HN       THR  43  -6.415  -1.230  -6.735
  370    HA   THR  43           HA       THR  43  -5.803  -0.780  -9.446
  371    HB   THR  43           HB       THR  43  -6.740   1.144  -7.305
  372    HG1  THR  43           HG1      THR  43  -7.964  -0.857  -8.464
  373   1HG2  THR  43          HG21      THR  43  -7.611   1.993  -9.847
  374   2HG2  THR  43          HG22      THR  43  -5.881   1.679  -9.995
  375   3HG2  THR  43          HG23      THR  43  -6.474   2.806  -8.771
  376    H    ALA  44           HN       ALA  44  -4.335   0.387  -6.457
  377    HA   ALA  44           HA       ALA  44  -2.626   2.315  -7.627
  378   1HB   ALA  44          HB1       ALA  44  -1.338   1.676  -5.355
  379   2HB   ALA  44          HB2       ALA  44  -2.744   2.737  -5.422
  380   3HB   ALA  44          HB3       ALA  44  -2.943   1.036  -4.999
  381    H    ILE  45           HN       ILE  45  -2.189  -1.069  -6.766
  382    HA   ILE  45           HA       ILE  45   0.595  -1.079  -7.530
  383    HB   ILE  45           HB       ILE  45  -0.390  -3.735  -7.328
  384   1HG1  ILE  45          HG12      ILE  45  -1.479  -1.842  -5.243
  385   2HG1  ILE  45          HG13      ILE  45  -2.381  -2.957  -6.248
  386   1HG2  ILE  45          HG21      ILE  45   1.839  -2.945  -6.709
  387   2HG2  ILE  45          HG22      ILE  45   1.146  -2.057  -5.349
  388   3HG2  ILE  45          HG23      ILE  45   1.067  -3.821  -5.383
  389   1HD1  ILE  45          HD11      ILE  45  -0.357  -3.964  -4.295
  390   2HD1  ILE  45          HD12      ILE  45  -1.991  -3.547  -3.785
  391   3HD1  ILE  45          HD13      ILE  45  -1.741  -4.801  -4.997
  392    H    GLY  46           HN       GLY  46  -2.355  -1.343  -9.128
  393   1HA   GLY  46          HA1       GLY  46  -2.878  -1.790 -11.321
  394   2HA   GLY  46          HA2       GLY  46  -1.155  -1.946 -11.642
  395    H    ARG  47           HN       ARG  47  -3.052  -3.785  -9.306
  396    HA   ARG  47           HA       ARG  47  -2.570  -6.209 -10.916
  397   1HB   ARG  47          HB2       ARG  47  -2.362  -6.128  -7.910
  398   2HB   ARG  47          HB3       ARG  47  -1.896  -7.436  -8.985
  399   1HG   ARG  47          HG2       ARG  47  -0.281  -5.528  -9.926
  400   2HG   ARG  47          HG3       ARG  47  -0.446  -4.970  -8.259
  401   1HD   ARG  47          HD2       ARG  47   0.133  -7.334  -7.559
  402   2HD   ARG  47          HD3       ARG  47   0.578  -7.623  -9.241
  403    HE   ARG  47           HE       ARG  47   2.017  -6.009  -7.302
  404   1HH1  ARG  47          HH12      ARG  47   1.638  -6.928 -10.671
  405   2HH1  ARG  47          HH11      ARG  47   3.223  -6.362 -11.118
  406   1HH2  ARG  47          HH22      ARG  47   4.100  -5.290  -7.905
  407   2HH2  ARG  47          HH21      ARG  47   4.612  -5.452  -9.564
  408    H    THR  48           HN       THR  48  -3.725  -8.032  -9.177
  409    HA   THR  48           HA       THR  48  -6.432  -7.074  -8.630
  410    HB   THR  48           HB       THR  48  -6.797  -9.617  -9.762
  411    HG1  THR  48           HG1      THR  48  -5.522  -8.003 -11.705
  412   1HG2  THR  48          HG21      THR  48  -8.533  -8.079  -9.955
  413   2HG2  THR  48          HG22      THR  48  -7.905  -8.159 -11.601
  414   3HG2  THR  48          HG23      THR  48  -7.469  -6.807 -10.555
  415    H    GLU  49           HN       GLU  49  -7.656  -9.331  -7.864
  416    HA   GLU  49           HA       GLU  49  -6.368  -9.992  -5.399
  417   1HB   GLU  49          HB2       GLU  49  -8.917 -10.785  -6.753
  418   2HB   GLU  49          HB3       GLU  49  -8.357 -11.706  -5.365
  419   1HG   GLU  49          HG2       GLU  49  -8.141  -9.256  -4.344
  420   2HG   GLU  49          HG3       GLU  49  -9.424  -8.956  -5.517
  421    H    GLU  50           HN       GLU  50  -6.263 -11.269  -8.534
  422    HA   GLU  50           HA       GLU  50  -5.517 -13.943  -7.736
  423   1HB   GLU  50          HB2       GLU  50  -5.052 -12.963 -10.510
  424   2HB   GLU  50          HB3       GLU  50  -5.656 -14.519  -9.955
  425   1HG   GLU  50          HG2       GLU  50  -7.560 -12.594  -9.198
  426   2HG   GLU  50          HG3       GLU  50  -7.104 -12.236 -10.857
  427    H    THR  51           HN       THR  51  -4.013 -11.053  -7.632
  428    HA   THR  51           HA       THR  51  -1.357 -12.262  -8.017
  429    HB   THR  51           HB       THR  51  -0.821  -9.684  -8.591
  430    HG1  THR  51           HG1      THR  51  -3.234 -10.036 -10.008
  431   1HG2  THR  51          HG21      THR  51  -0.451 -10.386 -10.761
  432   2HG2  THR  51          HG22      THR  51  -1.920 -11.362 -10.803
  433   3HG2  THR  51          HG23      THR  51  -0.510 -11.927  -9.907
  434    H    VAL  52           HN       VAL  52  -3.281  -9.753  -6.433
  435    HA   VAL  52           HA       VAL  52  -1.216  -9.181  -4.477
  436    HB   VAL  52           HB       VAL  52  -4.091  -8.239  -4.610
  437   1HG1  VAL  52          HG11      VAL  52  -3.089  -8.098  -2.355
  438   2HG1  VAL  52          HG12      VAL  52  -1.789  -7.107  -3.021
  439   3HG1  VAL  52          HG13      VAL  52  -3.451  -6.513  -3.042
  440   1HG2  VAL  52          HG21      VAL  52  -3.491  -6.739  -6.126
  441   2HG2  VAL  52          HG22      VAL  52  -2.111  -6.227  -5.154
  442   3HG2  VAL  52          HG23      VAL  52  -1.949  -7.584  -6.271
  443    H    VAL  53           HN       VAL  53  -0.955 -11.207  -3.487
  444    HA   VAL  53           HA       VAL  53  -3.231 -12.048  -1.835
  445    HB   VAL  53           HB       VAL  53  -2.310 -14.437  -2.181
  446   1HG1  VAL  53          HG11      VAL  53  -4.385 -14.283  -3.059
  447   2HG1  VAL  53          HG12      VAL  53  -4.034 -12.781  -3.918
  448   3HG1  VAL  53          HG13      VAL  53  -3.515 -14.329  -4.591
  449   1HG2  VAL  53          HG21      VAL  53  -0.243 -13.862  -3.320
  450   2HG2  VAL  53          HG22      VAL  53  -1.274 -14.803  -4.394
  451   3HG2  VAL  53          HG23      VAL  53  -1.143 -13.058  -4.604
  452    H    SER  54           HN       SER  54  -1.027 -14.328  -1.349
  453    HA   SER  54           HA       SER  54  -0.716 -13.696   1.325
  454   1HB   SER  54          HB2       SER  54   1.257 -15.536   0.098
  455   2HB   SER  54          HB3       SER  54   0.187 -15.777   1.483
  456    HG   SER  54           HG       SER  54  -1.511 -16.168   0.113
  457    H    GLN  55           HN       GLN  55   1.739 -13.423  -1.265
  458    HA   GLN  55           HA       GLN  55   3.658 -12.508   0.731
  459   1HB   GLN  55          HB2       GLN  55   3.824 -14.008  -1.700
  460   2HB   GLN  55          HB3       GLN  55   4.870 -12.598  -1.813
  461   1HG   GLN  55          HG2       GLN  55   5.098 -13.941   0.747
  462   2HG   GLN  55          HG3       GLN  55   5.477 -14.998  -0.610
  463   1HE2  GLN  55          HE21      GLN  55   7.498 -14.616   0.945
  464   2HE2  GLN  55          HE22      GLN  55   8.638 -13.470   0.309
  465    H    LEU  56           HN       LEU  56   1.407 -10.868  -0.757
  466    HA   LEU  56           HA       LEU  56   3.160  -8.763  -1.785
  467   1HB   LEU  56          HB2       LEU  56   0.808  -9.714  -2.772
  468   2HB   LEU  56          HB3       LEU  56   0.259  -8.313  -1.869
  469    HG   LEU  56           HG       LEU  56   2.563  -7.607  -3.436
  470   1HD1  LEU  56          HD11      LEU  56   2.247  -8.965  -5.195
  471   2HD1  LEU  56          HD12      LEU  56   0.585  -9.341  -4.741
  472   3HD1  LEU  56          HD13      LEU  56   0.948  -7.840  -5.592
  473   1HD2  LEU  56          HD21      LEU  56  -0.312  -6.739  -3.686
  474   2HD2  LEU  56          HD22      LEU  56   0.829  -6.096  -2.505
  475   3HD2  LEU  56          HD23      LEU  56   1.118  -5.862  -4.230
  476    H    ARG  57           HN       ARG  57   3.843  -7.330  -0.381
  477    HA   ARG  57           HA       ARG  57   1.945  -6.341   1.642
  478   1HB   ARG  57          HB2       ARG  57   4.901  -6.895   1.905
  479   2HB   ARG  57          HB3       ARG  57   4.038  -5.849   3.023
  480   1HG   ARG  57          HG2       ARG  57   3.425  -8.752   2.505
  481   2HG   ARG  57          HG3       ARG  57   4.273  -8.106   3.911
  482   1HD   ARG  57          HD2       ARG  57   2.307  -6.888   4.588
  483   2HD   ARG  57          HD3       ARG  57   1.463  -7.369   3.117
  484    HE   ARG  57           HE       ARG  57   2.067  -9.071   5.434
  485   1HH1  ARG  57          HH12      ARG  57   0.636  -8.760   2.228
  486   2HH1  ARG  57          HH11      ARG  57  -0.366 -10.164   2.419
  487   1HH2  ARG  57          HH22      ARG  57   0.716 -10.897   5.663
  488   2HH2  ARG  57          HH21      ARG  57  -0.341 -11.361   4.359
  489    H    ILE  58           HN       ILE  58   2.233  -4.077   2.202
  490    HA   ILE  58           HA       ILE  58   3.559  -2.558   0.052
  491    HB   ILE  58           HB       ILE  58   0.863  -1.910   1.260
  492   1HG1  ILE  58          HG12      ILE  58   0.775  -3.846  -0.264
  493   2HG1  ILE  58          HG13      ILE  58  -0.068  -2.452  -0.932
  494   1HG2  ILE  58          HG21      ILE  58   1.049  -0.377  -0.955
  495   2HG2  ILE  58          HG22      ILE  58   1.470   0.172   0.667
  496   3HG2  ILE  58          HG23      ILE  58   2.732  -0.393  -0.428
  497   1HD1  ILE  58          HD11      ILE  58   2.320  -2.072  -2.055
  498   2HD1  ILE  58          HD12      ILE  58   2.371  -3.826  -1.863
  499   3HD1  ILE  58          HD13      ILE  58   1.064  -3.076  -2.780
  500    H    CYS  59           HN       CYS  59   4.797  -0.938   0.705
  501    HA   CYS  59           HA       CYS  59   5.384  -0.526   3.440
  502   1HB   CYS  59          HB2       CYS  59   6.169   1.328   1.201
  503   2HB   CYS  59          HB3       CYS  59   7.060   0.944   2.673
  504    H    SER  60           HN       SER  60   5.229   1.478   4.626
  505    HA   SER  60           HA       SER  60   2.634   2.691   4.279
  506   1HB   SER  60          HB2       SER  60   3.560   4.046   6.371
  507   2HB   SER  60          HB3       SER  60   2.996   2.382   6.536
  508    HG   SER  60           HG       SER  60   5.143   1.686   6.399
  509    H    ALA  61           HN       ALA  61   5.788   3.362   3.255
  510    HA   ALA  61           HA       ALA  61   5.644   6.206   3.148
  511   1HB   ALA  61          HB1       ALA  61   7.265   4.764   1.139
  512   2HB   ALA  61          HB2       ALA  61   7.694   6.119   2.185
  513   3HB   ALA  61          HB3       ALA  61   7.654   4.480   2.835
  514    H    HIS  62           HN       HIS  62   4.057   3.778   1.456
  515    HA   HIS  62           HA       HIS  62   3.765   5.227  -1.024
  516   1HB   HIS  62          HB2       HIS  62   2.450   2.700   0.001
  517   2HB   HIS  62          HB3       HIS  62   2.188   3.370  -1.607
  518    HD1  HIS  62           HD1      HIS  62   4.530   3.544  -3.102
  519    HD2  HIS  62           HD2      HIS  62   4.472   0.953   0.161
  520    HE1  HIS  62           HE1      HIS  62   6.474   1.933  -3.421
  521    H    PHE  63           HN       PHE  63   2.671   5.978   1.849
  522    HA   PHE  63           HA       PHE  63   0.086   6.967   0.829
  523   1HB   PHE  63          HB2       PHE  63   0.737   6.145   3.677
  524   2HB   PHE  63          HB3       PHE  63  -0.768   6.895   3.166
  525    HD1  PHE  63           HD1      PHE  63  -2.592   5.512   2.786
  526    HD2  PHE  63           HD2      PHE  63   1.358   3.945   2.352
  527    HE1  PHE  63           HE1      PHE  63  -3.511   3.283   2.320
  528    HE2  PHE  63           HE2      PHE  63   0.431   1.721   1.894
  529    HZ   PHE  63           HZ       PHE  63  -1.999   1.394   1.870
  530    H    GLU  64           HN       GLU  64  -0.488   9.093   1.518
  531    HA   GLU  64           HA       GLU  64   1.601  10.924   2.019
  532   1HB   GLU  64          HB2       GLU  64  -1.380  11.029   2.071
  533   2HB   GLU  64          HB3       GLU  64  -0.502  12.330   2.863
  534   1HG   GLU  64          HG2       GLU  64   0.323  11.595   0.115
  535   2HG   GLU  64          HG3       GLU  64  -1.216  12.429   0.314
  536    H    GLY  65           HN       GLY  65   2.767  11.037   3.829
  537   1HA   GLY  65          HA1       GLY  65   3.252  11.105   6.099
  538   2HA   GLY  65          HA2       GLY  65   1.538  10.915   6.441
  539    H    GLY  66           HN       GLY  66   0.831   8.602   5.352
  540   1HA   GLY  66          HA1       GLY  66   1.655   6.305   5.075
  541   2HA   GLY  66          HA2       GLY  66   2.743   6.620   6.419
  542    H    GLU  67           HN       GLU  67  -0.649   7.552   6.270
  543    HA   GLU  67           HA       GLU  67  -1.090   5.941   8.685
  544   1HB   GLU  67          HB2       GLU  67  -3.211   7.816   7.932
  545   2HB   GLU  67          HB3       GLU  67  -2.401   7.596   9.475
  546   1HG   GLU  67          HG2       GLU  67  -0.925   9.250   9.092
  547   2HG   GLU  67          HG3       GLU  67  -0.806   8.896   7.370
  548    H    LYS  68           HN       LYS  68  -2.134   4.085   8.433
  549    HA   LYS  68           HA       LYS  68  -4.120   3.825   6.287
  550   1HB   LYS  68          HB2       LYS  68  -2.479   2.034   6.359
  551   2HB   LYS  68          HB3       LYS  68  -2.831   1.734   8.048
  552   1HG   LYS  68          HG2       LYS  68  -4.324   0.232   7.432
  553   2HG   LYS  68          HG3       LYS  68  -5.275   1.522   6.695
  554   1HD   LYS  68          HD2       LYS  68  -2.969   0.275   5.246
  555   2HD   LYS  68          HD3       LYS  68  -4.568  -0.476   5.232
  556   1HE   LYS  68          HE2       LYS  68  -4.083   2.394   4.463
  557   2HE   LYS  68          HE3       LYS  68  -4.060   1.067   3.302
  558   1HZ   LYS  68          HZ1       LYS  68  -6.374   0.579   4.400
  559   2HZ   LYS  68          HZ2       LYS  68  -6.216   1.717   3.152
  560   3HZ   LYS  68          HZ3       LYS  68  -6.311   2.237   4.761
  561    H    LYS  69           HN       LYS  69  -5.842   4.957   7.158
  562    HA   LYS  69           HA       LYS  69  -6.805   4.089   9.795
  563   1HB   LYS  69          HB2       LYS  69  -6.461   6.602   8.964
  564   2HB   LYS  69          HB3       LYS  69  -8.086   6.350   8.336
  565   1HG   LYS  69          HG2       LYS  69  -7.431   5.710  11.186
  566   2HG   LYS  69          HG3       LYS  69  -7.803   7.361  10.685
  567   1HD   LYS  69          HD2       LYS  69  -9.984   6.912  10.671
  568   2HD   LYS  69          HD3       LYS  69  -9.737   5.540   9.591
  569   1HE   LYS  69          HE2       LYS  69  -8.966   5.112  12.402
  570   2HE   LYS  69          HE3       LYS  69 -10.689   5.337  12.112
  571   1HZ   LYS  69          HZ1       LYS  69  -9.236   3.464  10.389
  572   2HZ   LYS  69          HZ2       LYS  69 -10.840   3.412  10.927
  573   3HZ   LYS  69          HZ3       LYS  69  -9.578   2.980  11.975
  574    H    GLU  70           HN       GLU  70  -8.356   5.183   6.792
  575    HA   GLU  70           HA       GLU  70  -9.785   2.802   6.304
  576   1HB   GLU  70          HB2       GLU  70 -10.898   4.392   8.369
  577   2HB   GLU  70          HB3       GLU  70 -11.914   4.623   6.953
  578   1HG   GLU  70          HG2       GLU  70 -12.871   2.660   7.263
  579   2HG   GLU  70          HG3       GLU  70 -11.308   1.845   7.244
  580    H    GLY  71           HN       GLY  71  -9.900   2.915   4.169
  581   1HA   GLY  71          HA1       GLY  71 -10.885   3.776   2.180
  582   2HA   GLY  71          HA2       GLY  71 -10.928   5.368   2.925
  583    H    ASP  72           HN       ASP  72  -8.001   4.288   3.720
  584    HA   ASP  72           HA       ASP  72  -6.682   5.899   1.739
  585   1HB   ASP  72          HB2       ASP  72  -4.802   4.360   3.255
  586   2HB   ASP  72          HB3       ASP  72  -5.138   6.083   3.380
  587    H    ILE  73           HN       ILE  73  -6.094   5.218  -0.166
  588    HA   ILE  73           HA       ILE  73  -5.304   2.414  -0.586
  589    HB   ILE  73           HB       ILE  73  -5.991   4.570  -2.606
  590   1HG1  ILE  73          HG12      ILE  73  -7.736   2.265  -2.574
  591   2HG1  ILE  73          HG13      ILE  73  -7.691   3.042  -0.994
  592   1HG2  ILE  73          HG21      ILE  73  -5.534   3.157  -4.309
  593   2HG2  ILE  73          HG22      ILE  73  -4.402   2.486  -3.132
  594   3HG2  ILE  73          HG23      ILE  73  -5.973   1.721  -3.383
  595   1HD1  ILE  73          HD11      ILE  73  -9.323   3.768  -3.008
  596   2HD1  ILE  73          HD12      ILE  73  -8.803   4.843  -1.710
  597   3HD1  ILE  73          HD13      ILE  73  -7.970   4.872  -3.265
  598    HA   PRO  74           HA       PRO  74  -1.099   3.878  -0.774
  599   1HB   PRO  74          HB2       PRO  74   0.038   1.943  -2.309
  600   2HB   PRO  74          HB3       PRO  74  -0.398   1.694  -0.616
  601   1HG   PRO  74          HG2       PRO  74  -1.863   0.883  -3.089
  602   2HG   PRO  74          HG3       PRO  74  -1.615  -0.022  -1.586
  603   1HD   PRO  74          HD2       PRO  74  -3.928   1.272  -2.163
  604   2HD   PRO  74          HD3       PRO  74  -3.336   1.054  -0.507
  605    H    VAL  75           HN       VAL  75   0.483   4.716  -2.314
  606    HA   VAL  75           HA       VAL  75  -0.348   4.750  -5.120
  607    HB   VAL  75           HB       VAL  75   0.523   7.219  -5.156
  608   1HG1  VAL  75          HG11      VAL  75  -1.886   6.155  -5.425
  609   2HG1  VAL  75          HG12      VAL  75  -2.178   7.040  -3.928
  610   3HG1  VAL  75          HG13      VAL  75  -1.640   7.900  -5.370
  611   1HG2  VAL  75          HG21      VAL  75  -0.513   7.076  -2.325
  612   2HG2  VAL  75          HG22      VAL  75   1.191   7.196  -2.760
  613   3HG2  VAL  75          HG23      VAL  75   0.082   8.502  -3.175
  614    HA   PRO  76           HA       PRO  76   3.871   3.942  -5.979
  615   1HB   PRO  76          HB2       PRO  76   4.389   5.523  -8.153
  616   2HB   PRO  76          HB3       PRO  76   3.465   4.018  -8.232
  617   1HG   PRO  76          HG2       PRO  76   2.489   6.840  -8.133
  618   2HG   PRO  76          HG3       PRO  76   1.890   5.480  -9.099
  619   1HD   PRO  76          HD2       PRO  76   0.644   6.312  -6.851
  620   2HD   PRO  76          HD3       PRO  76   0.675   4.604  -7.346
  621    H    ASP  77           HN       ASP  77   2.873   7.209  -5.605
  622    HA   ASP  77           HA       ASP  77   5.002   8.023  -3.960
  623   1HB   ASP  77          HB2       ASP  77   6.133   7.983  -6.275
  624   2HB   ASP  77          HB3       ASP  77   5.095   9.352  -6.667
  625    HA   PRO  78           HA       PRO  78   1.235  10.441  -3.390
  626   1HB   PRO  78          HB2       PRO  78   2.014  11.484  -0.979
  627   2HB   PRO  78          HB3       PRO  78   1.256   9.900  -1.168
  628   1HG   PRO  78          HG2       PRO  78   4.146  10.594  -0.850
  629   2HG   PRO  78          HG3       PRO  78   3.225   9.262  -0.128
  630   1HD   PRO  78          HD2       PRO  78   4.851   8.904  -2.249
  631   2HD   PRO  78          HD3       PRO  78   3.351   7.974  -2.040
  632    H    THR  79           HN       THR  79   4.498  11.389  -3.663
  633    HA   THR  79           HA       THR  79   3.940  14.235  -3.631
  634    HB   THR  79           HB       THR  79   6.553  12.939  -4.363
  635    HG1  THR  79           HG1      THR  79   5.216  12.865  -1.939
  636   1HG2  THR  79          HG21      THR  79   5.733  15.544  -3.119
  637   2HG2  THR  79          HG22      THR  79   6.566  15.280  -4.648
  638   3HG2  THR  79          HG23      THR  79   7.397  14.967  -3.125
  639    H    VAL  80           HN       VAL  80   4.319  11.612  -5.875
  640    HA   VAL  80           HA       VAL  80   4.567  13.496  -8.118
  641    HB   VAL  80           HB       VAL  80   5.135  10.532  -7.958
  642   1HG1  VAL  80          HG11      VAL  80   4.117  11.584 -10.169
  643   2HG1  VAL  80          HG12      VAL  80   5.794  12.079 -10.403
  644   3HG1  VAL  80          HG13      VAL  80   5.396  10.372 -10.209
  645   1HG2  VAL  80          HG21      VAL  80   6.924  12.916  -8.432
  646   2HG2  VAL  80          HG22      VAL  80   6.870  11.908  -6.987
  647   3HG2  VAL  80          HG23      VAL  80   7.434  11.229  -8.514
  648    H    ASP  81           HN       ASP  81   2.793  10.538  -7.185
  649    HA   ASP  81           HA       ASP  81   0.889  11.041  -9.348
  650   1HB   ASP  81          HB2       ASP  81   1.973   8.727  -8.772
  651   2HB   ASP  81          HB3       ASP  81   0.738   8.664  -7.515
  652    H    LYS  82           HN       LYS  82  -1.434  10.492  -8.792
  653    HA   LYS  82           HA       LYS  82  -2.237  12.284  -6.680
  654   1HB   LYS  82          HB2       LYS  82  -4.527  11.014  -7.660
  655   2HB   LYS  82          HB3       LYS  82  -3.922  12.599  -8.114
  656   1HG   LYS  82          HG2       LYS  82  -3.916  11.766 -10.186
  657   2HG   LYS  82          HG3       LYS  82  -2.417  10.980  -9.693
  658   1HD   LYS  82          HD2       LYS  82  -3.554   8.946  -9.195
  659   2HD   LYS  82          HD3       LYS  82  -5.132   9.716  -9.371
  660   1HE   LYS  82          HE2       LYS  82  -4.507   8.324 -11.316
  661   2HE   LYS  82          HE3       LYS  82  -4.775  10.015 -11.734
  662   1HZ   LYS  82          HZ1       LYS  82  -2.614   8.583 -12.453
  663   2HZ   LYS  82          HZ2       LYS  82  -2.036   9.369 -11.064
  664   3HZ   LYS  82          HZ3       LYS  82  -2.659  10.278 -12.358
  665    H    GLN  83           HN       GLN  83  -1.860  11.423  -4.724
  666    HA   GLN  83           HA       GLN  83  -2.180   8.920  -3.725
  667   1HB   GLN  83          HB2       GLN  83  -1.376  10.493  -2.207
  668   2HB   GLN  83          HB3       GLN  83  -2.668  11.633  -2.546
  669   1HG   GLN  83          HG2       GLN  83  -3.130  10.871  -0.400
  670   2HG   GLN  83          HG3       GLN  83  -4.215   9.935  -1.428
  671   1HE2  GLN  83          HE21      GLN  83  -4.164   7.800  -1.291
  672   2HE2  GLN  83          HE22      GLN  83  -2.974   6.873  -0.449
  673    H    ILE  84           HN       ILE  84  -3.791   7.504  -3.935
  674    HA   ILE  84           HA       ILE  84  -6.468   8.440  -4.432
  675    HB   ILE  84           HB       ILE  84  -5.814   5.532  -4.146
  676   1HG1  ILE  84          HG12      ILE  84  -5.626   6.452  -6.895
  677   2HG1  ILE  84          HG13      ILE  84  -4.379   7.190  -5.888
  678   1HG2  ILE  84          HG21      ILE  84  -8.106   5.952  -4.462
  679   2HG2  ILE  84          HG22      ILE  84  -7.795   7.158  -5.712
  680   3HG2  ILE  84          HG23      ILE  84  -7.504   5.451  -6.042
  681   1HD1  ILE  84          HD11      ILE  84  -3.999   4.893  -7.104
  682   2HD1  ILE  84          HD12      ILE  84  -3.337   5.203  -5.499
  683   3HD1  ILE  84          HD13      ILE  84  -4.817   4.262  -5.674
  684    H    LYS  85           HN       LYS  85  -7.919   8.744  -2.885
  685    HA   LYS  85           HA       LYS  85  -7.977   6.899  -0.603
  686   1HB   LYS  85          HB2       LYS  85  -8.385   8.704   0.976
  687   2HB   LYS  85          HB3       LYS  85  -6.839   8.949   0.176
  688   1HG   LYS  85          HG2       LYS  85  -7.474  10.995  -0.364
  689   2HG   LYS  85          HG3       LYS  85  -8.774  10.318  -1.348
  690   1HD   LYS  85          HD2       LYS  85 -10.345  10.547   0.339
  691   2HD   LYS  85          HD3       LYS  85  -9.120  10.593   1.609
  692   1HE   LYS  85          HE2       LYS  85  -8.601  12.808   1.212
  693   2HE   LYS  85          HE3       LYS  85  -9.207  12.759  -0.443
  694   1HZ   LYS  85          HZ1       LYS  85 -10.647  14.029   1.051
  695   2HZ   LYS  85          HZ2       LYS  85 -10.903  12.639   1.991
  696   3HZ   LYS  85          HZ3       LYS  85 -11.452  12.690   0.385
  697    H    ILE  86           HN       ILE  86 -10.063   6.472   0.145
  698    HA   ILE  86           HA       ILE  86 -12.207   7.329  -1.658
  699    HB   ILE  86           HB       ILE  86 -12.432   5.280   0.546
  700   1HG1  ILE  86          HG12      ILE  86 -12.154   4.324  -2.228
  701   2HG1  ILE  86          HG13      ILE  86 -10.692   5.015  -1.531
  702   1HG2  ILE  86          HG21      ILE  86 -14.533   5.021  -0.134
  703   2HG2  ILE  86          HG22      ILE  86 -14.315   6.443  -1.157
  704   3HG2  ILE  86          HG23      ILE  86 -14.020   4.832  -1.812
  705   1HD1  ILE  86          HD11      ILE  86 -12.014   3.173   0.278
  706   2HD1  ILE  86          HD12      ILE  86 -11.563   2.425  -1.254
  707   3HD1  ILE  86          HD13      ILE  86 -10.337   3.225  -0.269
  708    H    GLU  87           HN       GLU  87 -13.897   8.576  -1.026
  709    HA   GLU  87           HA       GLU  87 -13.814   9.915   1.501
  710   1HB   GLU  87          HB2       GLU  87 -16.112   9.789  -0.465
  711   2HB   GLU  87          HB3       GLU  87 -15.887  10.976   0.810
  712   1HG   GLU  87          HG2       GLU  87 -14.220  10.641  -1.670
  713   2HG   GLU  87          HG3       GLU  87 -15.324  11.962  -1.295
  714    H    LEU  88           HN       LEU  88 -14.186   8.775   3.290
  715    HA   LEU  88           HA       LEU  88 -16.085   6.563   3.195
  716   1HB   LEU  88          HB2       LEU  88 -13.626   6.537   4.135
  717   2HB   LEU  88          HB3       LEU  88 -14.396   7.180   5.573
  718    HG   LEU  88           HG       LEU  88 -16.005   5.053   4.988
  719   1HD1  LEU  88          HD11      LEU  88 -14.941   3.372   3.971
  720   2HD1  LEU  88          HD12      LEU  88 -13.841   4.612   3.371
  721   3HD1  LEU  88          HD13      LEU  88 -13.429   3.693   4.820
  722   1HD2  LEU  88          HD21      LEU  88 -13.660   5.411   6.811
  723   2HD2  LEU  88          HD22      LEU  88 -15.381   5.419   7.196
  724   3HD2  LEU  88          HD23      LEU  88 -14.574   3.903   6.794
  725    HA   PRO  89           HA       PRO  89 -19.065   8.874   5.593
  726   1HB   PRO  89          HB2       PRO  89 -20.693   6.794   6.187
  727   2HB   PRO  89          HB3       PRO  89 -20.650   7.531   4.580
  728   1HG   PRO  89          HG2       PRO  89 -19.316   5.037   5.560
  729   2HG   PRO  89          HG3       PRO  89 -20.185   5.317   4.039
  730   1HD   PRO  89          HD2       PRO  89 -17.479   5.353   4.214
  731   2HD   PRO  89          HD3       PRO  89 -18.379   6.354   3.055
  732    HA   PRO  90           HA       PRO  90 -17.943   8.597   9.872
  733   1HB   PRO  90          HB2       PRO  90 -20.576   8.378  10.907
  734   2HB   PRO  90          HB3       PRO  90 -19.601   9.839  10.755
  735   1HG   PRO  90          HG2       PRO  90 -21.745   8.804   8.993
  736   2HG   PRO  90          HG3       PRO  90 -21.231  10.475   9.283
  737   1HD   PRO  90          HD2       PRO  90 -20.667   9.191   6.991
  738   2HD   PRO  90          HD3       PRO  90 -19.535  10.355   7.710
  739    H    LYS  91           HN       LYS  91 -20.578   6.385   8.910
  740    HA   LYS  91           HA       LYS  91 -19.081   4.199  10.081
  741   1HB   LYS  91          HB2       LYS  91 -21.272   5.374  11.477
  742   2HB   LYS  91          HB3       LYS  91 -21.772   3.782  10.921
  743   1HG   LYS  91          HG2       LYS  91 -19.272   4.344  12.503
  744   2HG   LYS  91          HG3       LYS  91 -20.791   3.757  13.182
  745   1HD   LYS  91          HD2       LYS  91 -19.915   1.718  12.853
  746   2HD   LYS  91          HD3       LYS  91 -20.354   1.972  11.163
  747   1HE   LYS  91          HE2       LYS  91 -17.774   3.136  11.924
  748   2HE   LYS  91          HE3       LYS  91 -17.844   1.381  12.069
  749   1HZ   LYS  91          HZ1       LYS  91 -17.645   1.210   9.881
  750   2HZ   LYS  91          HZ2       LYS  91 -17.510   2.897   9.752
  751   3HZ   LYS  91          HZ3       LYS  91 -19.031   2.157   9.632
  Start of MODEL    3
    1   1H    GLY   1          H1        GLY   1  20.245  -9.441   4.622
    2   2H    GLY   1          H2        GLY   1  21.080 -10.909   4.450
    3   3H    GLY   1          H3        GLY   1  19.513 -10.895   5.099
    4   1HA   GLY   1          HA2       GLY   1  20.189 -10.077   2.332
    5   2HA   GLY   1          HA1       GLY   1  19.577 -11.664   2.775
    6    H    SER   2           HN       SER   2  17.671 -11.509   1.626
    7    HA   SER   2           HA       SER   2  15.903  -9.261   2.044
    8   1HB   SER   2          HB2       SER   2  15.028 -11.798   0.721
    9   2HB   SER   2          HB3       SER   2  14.623 -10.127   0.320
   10    HG   SER   2           HG       SER   2  16.039 -10.659  -1.222
   11    H    MET   3           HN       MET   3  14.536  -9.095   3.676
   12    HA   MET   3           HA       MET   3  14.067 -11.235   5.515
   13   1HB   MET   3          HB2       MET   3  13.409  -8.368   5.299
   14   2HB   MET   3          HB3       MET   3  12.206  -9.328   6.146
   15   1HG   MET   3          HG2       MET   3  13.434  -9.217   7.970
   16   2HG   MET   3          HG3       MET   3  14.712 -10.113   7.151
   17   1HE   MET   3          HE1       MET   3  14.384  -5.557   7.603
   18   2HE   MET   3          HE2       MET   3  13.557  -6.287   6.226
   19   3HE   MET   3          HE3       MET   3  13.114  -6.752   7.869
   20    HA   PRO   4           HA       PRO   4  10.268 -12.888   3.820
   21   1HB   PRO   4          HB2       PRO   4   8.805 -13.393   6.048
   22   2HB   PRO   4          HB3       PRO   4  10.203 -14.368   5.582
   23   1HG   PRO   4          HG2       PRO   4  10.020 -12.158   7.591
   24   2HG   PRO   4          HG3       PRO   4  10.847 -13.722   7.722
   25   1HD   PRO   4          HD2       PRO   4  12.162 -11.425   7.152
   26   2HD   PRO   4          HD3       PRO   4  12.672 -12.998   6.508
   27    H    THR   5           HN       THR   5  10.416 -10.093   3.771
   28    HA   THR   5           HA       THR   5   7.602  -9.414   3.738
   29    HB   THR   5           HB       THR   5   9.352  -7.376   5.053
   30    HG1  THR   5           HG1      THR   5   8.513  -9.792   6.201
   31   1HG2  THR   5          HG21      THR   5   6.662  -7.857   6.065
   32   2HG2  THR   5          HG22      THR   5   6.701  -7.508   4.337
   33   3HG2  THR   5          HG23      THR   5   7.402  -6.367   5.483
   34    H    THR   6           HN       THR   6   7.243  -8.288   1.892
   35    HA   THR   6           HA       THR   6   9.375  -6.687   0.723
   36    HB   THR   6           HB       THR   6   8.105  -8.944  -0.840
   37    HG1  THR   6           HG1      THR   6  10.300  -8.882   0.841
   38   1HG2  THR   6          HG21      THR   6   9.671  -8.433  -2.561
   39   2HG2  THR   6          HG22      THR   6  10.540  -7.301  -1.525
   40   3HG2  THR   6          HG23      THR   6   8.918  -6.909  -2.093
   41    H    CYS   7           HN       CYS   7   8.596  -4.957  -0.340
   42    HA   CYS   7           HA       CYS   7   5.895  -4.273  -0.435
   43   1HB   CYS   7          HB2       CYS   7   7.885  -2.718  -0.665
   44   2HB   CYS   7          HB3       CYS   7   8.019  -3.259  -2.332
   45    H    GLY   8           HN       GLY   8   4.316  -4.569  -1.881
   46   1HA   GLY   8          HA1       GLY   8   4.764  -6.598  -3.925
   47   2HA   GLY   8          HA2       GLY   8   3.206  -5.978  -3.393
   48    H    PHE   9           HN       PHE   9   5.195  -3.400  -3.858
   49    HA   PHE   9           HA       PHE   9   3.807  -2.501  -6.152
   50   1HB   PHE   9          HB2       PHE   9   5.567  -1.438  -4.189
   51   2HB   PHE   9          HB3       PHE   9   6.228  -1.049  -5.769
   52    HD1  PHE   9           HD1      PHE   9   3.117  -0.866  -3.759
   53    HD2  PHE   9           HD2      PHE   9   5.374   0.741  -6.990
   54    HE1  PHE   9           HE1      PHE   9   1.504   0.976  -3.961
   55    HE2  PHE   9           HE2      PHE   9   3.766   2.590  -7.197
   56    HZ   PHE   9           HZ       PHE   9   1.829   2.713  -5.682
   57    HA   PRO  10           HA       PRO  10   6.170  -4.344  -9.425
   58   1HB   PRO  10          HB2       PRO  10   5.880  -2.290 -11.255
   59   2HB   PRO  10          HB3       PRO  10   4.698  -3.577 -10.988
   60   1HG   PRO  10          HG2       PRO  10   4.744  -0.790  -9.903
   61   2HG   PRO  10          HG3       PRO  10   3.370  -1.737 -10.504
   62   1HD   PRO  10          HD2       PRO  10   3.794  -1.421  -7.883
   63   2HD   PRO  10          HD3       PRO  10   3.198  -2.963  -8.535
   64    H    ASN  11           HN       ASN  11   6.625  -1.017  -8.552
   65    HA   ASN  11           HA       ASN  11   9.493  -1.345  -8.504
   66   1HB   ASN  11          HB2       ASN  11   8.718  -0.519 -10.862
   67   2HB   ASN  11          HB3       ASN  11   8.464   1.021 -10.044
   68   1HD2  ASN  11          HD21      ASN  11  10.780  -1.291 -11.147
   69   2HD2  ASN  11          HD22      ASN  11  12.195  -0.317 -10.880
   70    H    CYS  12           HN       CYS  12   9.142  -1.075  -6.278
   71    HA   CYS  12           HA       CYS  12   7.827   1.204  -5.192
   72   1HB   CYS  12          HB2       CYS  12   8.070  -0.843  -3.878
   73   2HB   CYS  12          HB3       CYS  12   9.824  -0.695  -3.936
   74    H    LYS  13           HN       LYS  13   8.527   3.199  -5.152
   75    HA   LYS  13           HA       LYS  13  11.280   3.768  -5.872
   76   1HB   LYS  13          HB2       LYS  13  10.498   6.140  -5.909
   77   2HB   LYS  13          HB3       LYS  13   9.626   5.074  -7.000
   78   1HG   LYS  13          HG2       LYS  13   7.688   5.527  -6.024
   79   2HG   LYS  13          HG3       LYS  13   8.344   5.206  -4.418
   80   1HD   LYS  13          HD2       LYS  13   7.518   7.514  -4.648
   81   2HD   LYS  13          HD3       LYS  13   9.249   7.452  -4.307
   82   1HE   LYS  13          HE2       LYS  13   9.481   7.532  -6.901
   83   2HE   LYS  13          HE3       LYS  13   7.839   8.171  -6.843
   84   1HZ   LYS  13          HZ1       LYS  13   8.666   9.880  -5.279
   85   2HZ   LYS  13          HZ2       LYS  13   9.364   9.986  -6.824
   86   3HZ   LYS  13          HZ3       LYS  13  10.242   9.318  -5.539
   87    H    PHE  14           HN       PHE  14  10.009   2.889  -3.099
   88    HA   PHE  14           HA       PHE  14  11.500   4.865  -1.509
   89   1HB   PHE  14          HB2       PHE  14   9.260   2.987  -0.752
   90   2HB   PHE  14          HB3       PHE  14  10.214   3.869   0.436
   91    HD1  PHE  14           HD1      PHE  14  10.306   6.439   0.158
   92    HD2  PHE  14           HD2      PHE  14   7.372   3.954  -1.665
   93    HE1  PHE  14           HE1      PHE  14   8.825   8.387  -0.109
   94    HE2  PHE  14           HE2      PHE  14   5.889   5.897  -1.940
   95    HZ   PHE  14           HZ       PHE  14   6.614   8.118  -1.162
   96    H    ARG  15           HN       ARG  15  10.721   1.381  -1.467
   97    HA   ARG  15           HA       ARG  15  12.745   0.557   0.238
   98   1HB   ARG  15          HB2       ARG  15  10.845  -0.844  -0.471
   99   2HB   ARG  15          HB3       ARG  15  11.513  -0.928  -2.094
  100   1HG   ARG  15          HG2       ARG  15  13.526  -1.769  -0.322
  101   2HG   ARG  15          HG3       ARG  15  12.037  -2.587   0.143
  102   1HD   ARG  15          HD2       ARG  15  13.731  -2.963  -2.206
  103   2HD   ARG  15          HD3       ARG  15  12.574  -4.060  -1.457
  104    HE   ARG  15           HE       ARG  15  12.044  -2.139  -3.595
  105   1HH1  ARG  15          HH12      ARG  15  10.819  -4.593  -1.396
  106   2HH1  ARG  15          HH11      ARG  15   9.330  -4.789  -2.277
  107   1HH2  ARG  15          HH22      ARG  15  10.101  -2.453  -4.758
  108   2HH2  ARG  15          HH21      ARG  15   8.929  -3.591  -4.170
  109    H    SER  16           HN       SER  16  12.752   0.745  -3.302
  110    HA   SER  16           HA       SER  16  15.423  -0.236  -3.542
  111   1HB   SER  16          HB2       SER  16  14.159   1.250  -5.781
  112   2HB   SER  16          HB3       SER  16  14.991  -0.306  -5.786
  113    HG   SER  16           HG       SER  16  12.327   0.260  -5.473
  114    H    ARG  17           HN       ARG  17  14.045   2.879  -3.020
  115    HA   ARG  17           HA       ARG  17  16.331   4.298  -4.086
  116   1HB   ARG  17          HB2       ARG  17  15.092   6.183  -3.953
  117   2HB   ARG  17          HB3       ARG  17  13.760   5.044  -3.855
  118   1HG   ARG  17          HG2       ARG  17  13.509   5.358  -1.555
  119   2HG   ARG  17          HG3       ARG  17  15.108   6.085  -1.391
  120   1HD   ARG  17          HD2       ARG  17  13.943   7.793  -3.142
  121   2HD   ARG  17          HD3       ARG  17  12.547   7.293  -2.185
  122    HE   ARG  17           HE       ARG  17  14.996   8.383  -0.957
  123   1HH1  ARG  17          HH12      ARG  17  11.509   8.365  -1.335
  124   2HH1  ARG  17          HH11      ARG  17  11.242   9.472  -0.022
  125   1HH2  ARG  17          HH22      ARG  17  14.633   9.833   0.770
  126   2HH2  ARG  17          HH21      ARG  17  12.998  10.296   1.168
  127    H    TYR  18           HN       TYR  18  15.307   3.005  -1.055
  128    HA   TYR  18           HA       TYR  18  17.037   4.673   0.519
  129   1HB   TYR  18          HB2       TYR  18  15.175   2.422   1.044
  130   2HB   TYR  18          HB3       TYR  18  16.503   2.619   2.186
  131    HD1  TYR  18           HD1      TYR  18  15.475   3.481   4.129
  132    HD2  TYR  18           HD2      TYR  18  14.590   5.203   0.344
  133    HE1  TYR  18           HE1      TYR  18  14.240   5.303   5.247
  134    HE2  TYR  18           HE2      TYR  18  13.365   7.025   1.446
  135    HH   TYR  18           HH       TYR  18  13.427   8.161   3.746
  136    H    ARG  19           HN       ARG  19  17.238   1.656  -1.152
  137    HA   ARG  19           HA       ARG  19  18.976   0.314  -1.708
  138   1HB   ARG  19          HB2       ARG  19  20.137   2.951  -1.314
  139   2HB   ARG  19          HB3       ARG  19  21.297   1.662  -1.024
  140   1HG   ARG  19          HG2       ARG  19  21.620   1.809  -3.237
  141   2HG   ARG  19          HG3       ARG  19  20.180   0.794  -3.311
  142   1HD   ARG  19          HD2       ARG  19  18.814   2.537  -3.928
  143   2HD   ARG  19          HD3       ARG  19  19.869   3.756  -3.214
  144    HE   ARG  19           HE       ARG  19  21.390   3.376  -5.105
  145   1HH1  ARG  19          HH12      ARG  19  18.044   2.372  -5.396
  146   2HH1  ARG  19          HH11      ARG  19  18.042   2.419  -7.137
  147   1HH2  ARG  19          HH22      ARG  19  21.415   3.408  -7.392
  148   2HH2  ARG  19          HH21      ARG  19  19.978   2.966  -8.275
  149    H    GLY  20           HN       GLY  20  17.964   0.453   1.143
  150   1HA   GLY  20          HA1       GLY  20  20.299  -0.734   2.482
  151   2HA   GLY  20          HA2       GLY  20  18.898  -0.062   3.304
  152    H    LEU  21           HN       LEU  21  17.510  -1.476   4.074
  153    HA   LEU  21           HA       LEU  21  17.369  -4.131   2.805
  154   1HB   LEU  21          HB2       LEU  21  16.767  -4.736   5.354
  155   2HB   LEU  21          HB3       LEU  21  18.387  -4.843   4.694
  156    HG   LEU  21           HG       LEU  21  17.933  -2.182   5.669
  157   1HD1  LEU  21          HD11      LEU  21  18.003  -3.414   8.135
  158   2HD1  LEU  21          HD12      LEU  21  16.634  -2.548   7.437
  159   3HD1  LEU  21          HD13      LEU  21  16.752  -4.299   7.262
  160   1HD2  LEU  21          HD21      LEU  21  19.931  -4.213   5.646
  161   2HD2  LEU  21          HD22      LEU  21  20.105  -2.489   5.970
  162   3HD2  LEU  21          HD23      LEU  21  19.751  -3.604   7.290
  163    H    GLU  22           HN       GLU  22  15.524  -3.410   1.667
  164    HA   GLU  22           HA       GLU  22  13.296  -3.262   1.293
  165   1HB   GLU  22          HB2       GLU  22  13.602  -5.230   3.170
  166   2HB   GLU  22          HB3       GLU  22  12.448  -4.163   3.958
  167   1HG   GLU  22          HG2       GLU  22  11.380  -5.959   2.670
  168   2HG   GLU  22          HG3       GLU  22  10.932  -4.346   2.116
  169    H    ASP  23           HN       ASP  23  14.593  -0.999   2.225
  170    HA   ASP  23           HA       ASP  23  14.139   1.148   2.769
  171   1HB   ASP  23          HB2       ASP  23  11.914   0.764   1.743
  172   2HB   ASP  23          HB3       ASP  23  11.302   0.250   3.313
  173    H    ASN  24           HN       ASN  24  12.784  -1.245   4.970
  174    HA   ASN  24           HA       ASN  24  13.123  -1.568   7.216
  175   1HB   ASN  24          HB2       ASN  24  15.235   0.058   6.745
  176   2HB   ASN  24          HB3       ASN  24  14.285   1.092   7.805
  177   1HD2  ASN  24          HD21      ASN  24  16.817   0.046   8.396
  178   2HD2  ASN  24          HD22      ASN  24  16.660  -1.013   9.757
  179    H    ARG  25           HN       ARG  25  10.958  -0.128   5.813
  180    HA   ARG  25           HA       ARG  25   9.886   1.554   7.956
  181   1HB   ARG  25          HB2       ARG  25   9.828   1.913   5.266
  182   2HB   ARG  25          HB3       ARG  25   8.285   1.103   5.507
  183   1HG   ARG  25          HG2       ARG  25   7.513   2.802   6.955
  184   2HG   ARG  25          HG3       ARG  25   9.120   3.517   7.090
  185   1HD   ARG  25          HD2       ARG  25   7.356   3.456   4.647
  186   2HD   ARG  25          HD3       ARG  25   7.768   4.863   5.626
  187    HE   ARG  25           HE       ARG  25   9.751   3.362   4.039
  188   1HH1  ARG  25          HH12      ARG  25   8.412   6.361   5.265
  189   2HH1  ARG  25          HH11      ARG  25   9.592   7.355   4.466
  190   1HH2  ARG  25          HH22      ARG  25  11.266   4.622   2.972
  191   2HH2  ARG  25          HH21      ARG  25  11.249   6.355   3.177
  192    H    HIS  26           HN       HIS  26   7.229   1.235   7.751
  193    HA   HIS  26           HA       HIS  26   6.777  -1.444   8.784
  194   1HB   HIS  26          HB2       HIS  26   5.816   0.914   9.632
  195   2HB   HIS  26          HB3       HIS  26   4.545   0.503   8.488
  196    HD2  HIS  26           HD2      HIS  26   3.821  -2.464   9.058
  197    HE1  HIS  26           HE1      HIS  26   3.872  -1.460  13.169
  198    HE2  HIS  26           HE2      HIS  26   3.224  -3.228  11.468
  199    H    PHE  27           HN       PHE  27   5.821  -3.020   7.657
  200    HA   PHE  27           HA       PHE  27   4.840  -2.351   4.975
  201   1HB   PHE  27          HB2       PHE  27   6.055  -4.804   6.179
  202   2HB   PHE  27          HB3       PHE  27   4.998  -4.961   4.777
  203    HD1  PHE  27           HD1      PHE  27   8.266  -4.027   5.961
  204    HD2  PHE  27           HD2      PHE  27   5.585  -3.773   2.665
  205    HE1  PHE  27           HE1      PHE  27  10.142  -3.445   4.482
  206    HE2  PHE  27           HE2      PHE  27   7.459  -3.190   1.184
  207    HZ   PHE  27           HZ       PHE  27   9.737  -3.029   2.092
  208    H    TYR  28           HN       TYR  28   2.737  -2.039   4.906
  209    HA   TYR  28           HA       TYR  28   0.994  -3.143   6.918
  210   1HB   TYR  28          HB2       TYR  28   0.470  -1.464   4.461
  211   2HB   TYR  28          HB3       TYR  28  -0.800  -2.004   5.553
  212    HD1  TYR  28           HD1      TYR  28   1.379  -1.626   7.949
  213    HD2  TYR  28           HD2      TYR  28  -0.350   0.845   4.952
  214    HE1  TYR  28           HE1      TYR  28   1.774   0.348   9.356
  215    HE2  TYR  28           HE2      TYR  28   0.036   2.825   6.349
  216    HH   TYR  28           HH       TYR  28   0.715   2.717   9.567
  217    H    ARG  29           HN       ARG  29  -0.864  -4.408   6.488
  218    HA   ARG  29           HA       ARG  29  -0.514  -6.292   4.283
  219   1HB   ARG  29          HB2       ARG  29  -1.434  -6.505   6.969
  220   2HB   ARG  29          HB3       ARG  29  -2.776  -6.916   5.910
  221   1HG   ARG  29          HG2       ARG  29  -0.039  -8.144   5.707
  222   2HG   ARG  29          HG3       ARG  29  -1.378  -8.851   6.615
  223   1HD   ARG  29          HD2       ARG  29  -1.814  -8.079   3.774
  224   2HD   ARG  29          HD3       ARG  29  -0.900  -9.548   4.121
  225    HE   ARG  29           HE       ARG  29  -3.634  -9.082   5.152
  226   1HH1  ARG  29          HH12      ARG  29  -1.256 -11.164   3.604
  227   2HH1  ARG  29          HH11      ARG  29  -2.302 -12.553   3.595
  228   1HH2  ARG  29          HH22      ARG  29  -4.981 -10.898   5.151
  229   2HH2  ARG  29          HH21      ARG  29  -4.425 -12.398   4.467
  230    H    ILE  30           HN       ILE  30  -2.227  -6.747   2.837
  231    HA   ILE  30           HA       ILE  30  -3.657  -4.454   1.983
  232    HB   ILE  30           HB       ILE  30  -4.411  -7.199   1.055
  233   1HG1  ILE  30          HG12      ILE  30  -2.273  -6.209  -0.552
  234   2HG1  ILE  30          HG13      ILE  30  -1.730  -6.231   1.123
  235   1HG2  ILE  30          HG21      ILE  30  -3.897  -5.252  -0.986
  236   2HG2  ILE  30          HG22      ILE  30  -5.404  -6.070  -0.577
  237   3HG2  ILE  30          HG23      ILE  30  -4.962  -4.572   0.243
  238   1HD1  ILE  30          HD11      ILE  30  -1.139  -8.319   0.312
  239   2HD1  ILE  30          HD12      ILE  30  -2.651  -8.624   1.168
  240   3HD1  ILE  30          HD13      ILE  30  -2.645  -8.500  -0.591
  241    HA   PRO  31           HA       PRO  31  -7.155  -4.813   4.735
  242   1HB   PRO  31          HB2       PRO  31  -8.305  -2.946   2.721
  243   2HB   PRO  31          HB3       PRO  31  -8.176  -2.772   4.479
  244   1HG   PRO  31          HG2       PRO  31  -6.593  -1.394   2.841
  245   2HG   PRO  31          HG3       PRO  31  -5.976  -2.043   4.372
  246   1HD   PRO  31          HD2       PRO  31  -5.605  -3.061   1.585
  247   2HD   PRO  31          HD3       PRO  31  -4.445  -2.998   2.928
  248    H    LYS  32           HN       LYS  32  -9.081  -5.874   4.701
  249    HA   LYS  32           HA       LYS  32 -10.072  -6.799   2.081
  250   1HB   LYS  32          HB2       LYS  32  -9.114  -8.402   4.132
  251   2HB   LYS  32          HB3       LYS  32 -10.853  -8.436   4.384
  252   1HG   LYS  32          HG2       LYS  32 -10.480  -8.804   1.636
  253   2HG   LYS  32          HG3       LYS  32  -9.271  -9.815   2.430
  254   1HD   LYS  32          HD2       LYS  32 -10.990 -11.289   2.499
  255   2HD   LYS  32          HD3       LYS  32 -11.401 -10.387   3.959
  256   1HE   LYS  32          HE2       LYS  32 -12.716  -8.867   2.282
  257   2HE   LYS  32          HE3       LYS  32 -12.653 -10.296   1.252
  258   1HZ   LYS  32          HZ1       LYS  32 -14.102 -11.395   2.539
  259   2HZ   LYS  32          HZ2       LYS  32 -14.560  -9.846   3.063
  260   3HZ   LYS  32          HZ3       LYS  32 -13.483 -10.771   3.990
  261    H    ARG  33           HN       ARG  33 -10.554  -4.592   4.158
  262    HA   ARG  33           HA       ARG  33 -13.397  -4.421   3.811
  263   1HB   ARG  33          HB2       ARG  33 -13.287  -5.849   5.807
  264   2HB   ARG  33          HB3       ARG  33 -12.229  -4.689   6.595
  265   1HG   ARG  33          HG2       ARG  33 -14.765  -3.560   5.678
  266   2HG   ARG  33          HG3       ARG  33 -14.926  -4.821   6.903
  267   1HD   ARG  33          HD2       ARG  33 -13.053  -2.479   7.175
  268   2HD   ARG  33          HD3       ARG  33 -14.713  -2.462   7.769
  269    HE   ARG  33           HE       ARG  33 -12.833  -4.537   8.688
  270   1HH1  ARG  33          HH12      ARG  33 -14.885  -1.769   9.352
  271   2HH1  ARG  33          HH11      ARG  33 -14.842  -1.988  11.078
  272   1HH2  ARG  33          HH22      ARG  33 -12.749  -4.811  10.963
  273   2HH2  ARG  33          HH21      ARG  33 -13.609  -3.703  11.995
  274    HA   PRO  34           HA       PRO  34 -14.751  -3.074   3.492
  275   1HB   PRO  34          HB2       PRO  34 -15.207  -1.148   1.644
  276   2HB   PRO  34          HB3       PRO  34 -15.651  -0.971   3.345
  277   1HG   PRO  34          HG2       PRO  34 -13.296   0.132   1.875
  278   2HG   PRO  34          HG3       PRO  34 -14.304   0.897   3.116
  279   1HD   PRO  34          HD2       PRO  34 -11.848  -0.193   3.611
  280   2HD   PRO  34          HD3       PRO  34 -13.130  -0.062   4.831
  281    H    LEU  35           HN       LEU  35 -15.331  -3.943   1.434
  282    HA   LEU  35           HA       LEU  35 -13.233  -5.233   0.099
  283   1HB   LEU  35          HB2       LEU  35 -16.063  -5.268   0.053
  284   2HB   LEU  35          HB3       LEU  35 -15.536  -5.038  -1.603
  285    HG   LEU  35           HG       LEU  35 -15.881  -7.399  -1.108
  286   1HD1  LEU  35          HD11      LEU  35 -13.061  -6.504  -1.609
  287   2HD1  LEU  35          HD12      LEU  35 -13.531  -8.204  -1.660
  288   3HD1  LEU  35          HD13      LEU  35 -14.271  -7.052  -2.771
  289   1HD2  LEU  35          HD21      LEU  35 -13.719  -7.045   0.965
  290   2HD2  LEU  35          HD22      LEU  35 -15.428  -7.332   1.291
  291   3HD2  LEU  35          HD23      LEU  35 -14.463  -8.572   0.492
  292    H    ILE  36           HN       ILE  36 -15.086  -2.346  -0.774
  293    HA   ILE  36           HA       ILE  36 -13.982  -2.096  -3.369
  294    HB   ILE  36           HB       ILE  36 -16.050  -0.896  -2.095
  295   1HG1  ILE  36          HG12      ILE  36 -16.370   0.343  -4.130
  296   2HG1  ILE  36          HG13      ILE  36 -14.650   0.275  -4.500
  297   1HG2  ILE  36          HG21      ILE  36 -13.738   0.888  -1.780
  298   2HG2  ILE  36          HG22      ILE  36 -15.184   1.641  -2.452
  299   3HG2  ILE  36          HG23      ILE  36 -15.258   0.827  -0.889
  300   1HD1  ILE  36          HD11      ILE  36 -14.892  -1.659  -5.548
  301   2HD1  ILE  36          HD12      ILE  36 -15.716  -2.374  -4.162
  302   3HD1  ILE  36          HD13      ILE  36 -16.637  -1.469  -5.365
  303    H    LEU  37           HN       LEU  37 -12.830  -1.202  -0.228
  304    HA   LEU  37           HA       LEU  37 -10.834   0.642  -1.088
  305   1HB   LEU  37          HB2       LEU  37 -11.424   0.741   1.198
  306   2HB   LEU  37          HB3       LEU  37 -11.232  -0.988   1.406
  307    HG   LEU  37           HG       LEU  37  -8.728  -0.547   0.904
  308   1HD1  LEU  37          HD11      LEU  37  -9.768   2.213   1.432
  309   2HD1  LEU  37          HD12      LEU  37  -8.112   1.763   1.840
  310   3HD1  LEU  37          HD13      LEU  37  -8.668   1.661   0.169
  311   1HD2  LEU  37          HD21      LEU  37  -9.751  -1.221   3.077
  312   2HD2  LEU  37          HD22      LEU  37  -8.291  -0.242   3.228
  313   3HD2  LEU  37          HD23      LEU  37  -9.875   0.491   3.487
  314    H    ARG  38           HN       ARG  38 -10.871  -2.818  -0.350
  315    HA   ARG  38           HA       ARG  38  -8.164  -3.324  -0.891
  316   1HB   ARG  38          HB2       ARG  38  -9.409  -4.974   0.288
  317   2HB   ARG  38          HB3       ARG  38 -10.610  -5.097  -0.990
  318   1HG   ARG  38          HG2       ARG  38  -8.786  -5.987  -2.474
  319   2HG   ARG  38          HG3       ARG  38  -7.755  -6.049  -1.043
  320   1HD   ARG  38          HD2       ARG  38  -8.568  -8.101  -0.728
  321   2HD   ARG  38          HD3       ARG  38 -10.057  -7.306  -0.214
  322    HE   ARG  38           HE       ARG  38 -10.323  -7.458  -2.908
  323   1HH1  ARG  38          HH12      ARG  38  -9.577  -9.835  -0.447
  324   2HH1  ARG  38          HH11      ARG  38 -10.332 -11.140  -1.305
  325   1HH2  ARG  38          HH22      ARG  38 -11.316  -9.170  -4.029
  326   2HH2  ARG  38          HH21      ARG  38 -11.309 -10.774  -3.330
  327    H    GLN  39           HN       GLN  39 -11.020  -3.324  -2.971
  328    HA   GLN  39           HA       GLN  39  -9.772  -4.266  -5.308
  329   1HB   GLN  39          HB2       GLN  39 -12.328  -3.485  -4.580
  330   2HB   GLN  39          HB3       GLN  39 -11.865  -2.293  -5.785
  331   1HG   GLN  39          HG2       GLN  39 -12.022  -3.751  -7.464
  332   2HG   GLN  39          HG3       GLN  39 -11.217  -5.028  -6.551
  333   1HE2  GLN  39          HE21      GLN  39 -12.412  -6.526  -5.481
  334   2HE2  GLN  39          HE22      GLN  39 -14.135  -6.625  -5.589
  335    H    ARG  40           HN       ARG  40 -10.028  -1.049  -3.911
  336    HA   ARG  40           HA       ARG  40  -8.898   0.284  -6.183
  337   1HB   ARG  40          HB2       ARG  40  -9.635   1.071  -3.392
  338   2HB   ARG  40          HB3       ARG  40  -8.579   2.126  -4.321
  339   1HG   ARG  40          HG2       ARG  40 -10.925   1.280  -5.814
  340   2HG   ARG  40          HG3       ARG  40 -11.320   2.158  -4.336
  341   1HD   ARG  40          HD2       ARG  40  -9.866   3.986  -5.013
  342   2HD   ARG  40          HD3       ARG  40  -9.406   3.102  -6.467
  343    HE   ARG  40           HE       ARG  40 -11.617   3.418  -7.307
  344   1HH1  ARG  40          HH12      ARG  40 -10.897   5.215  -4.401
  345   2HH1  ARG  40          HH11      ARG  40 -12.185   6.356  -4.620
  346   1HH2  ARG  40          HH22      ARG  40 -13.313   4.904  -7.615
  347   2HH2  ARG  40          HH21      ARG  40 -13.590   6.159  -6.433
  348    H    TRP  41           HN       TRP  41  -7.694  -1.231  -3.299
  349    HA   TRP  41           HA       TRP  41  -5.156  -0.034  -3.140
  350   1HB   TRP  41          HB2       TRP  41  -6.504  -2.392  -2.022
  351   2HB   TRP  41          HB3       TRP  41  -4.758  -2.568  -2.164
  352    HD1  TRP  41           HD1      TRP  41  -7.092   0.262  -0.884
  353    HE1  TRP  41           HE1      TRP  41  -6.088   1.175   1.305
  354    HE3  TRP  41           HE3      TRP  41  -2.982  -2.749  -0.591
  355    HZ2  TRP  41           HZ2      TRP  41  -3.841   0.663   2.942
  356    HZ3  TRP  41           HZ3      TRP  41  -1.451  -2.472   1.313
  357    HH2  TRP  41           HH2      TRP  41  -1.874  -0.797   3.031
  358    H    LEU  42           HN       LEU  42  -6.401  -2.651  -5.083
  359    HA   LEU  42           HA       LEU  42  -3.916  -3.691  -5.946
  360   1HB   LEU  42          HB2       LEU  42  -6.405  -3.861  -7.600
  361   2HB   LEU  42          HB3       LEU  42  -5.137  -5.055  -7.382
  362    HG   LEU  42           HG       LEU  42  -7.013  -4.274  -5.159
  363   1HD1  LEU  42          HD11      LEU  42  -7.963  -6.655  -5.860
  364   2HD1  LEU  42          HD12      LEU  42  -8.591  -5.150  -6.538
  365   3HD1  LEU  42          HD13      LEU  42  -7.425  -6.107  -7.450
  366   1HD2  LEU  42          HD21      LEU  42  -4.695  -5.609  -4.988
  367   2HD2  LEU  42          HD22      LEU  42  -6.081  -5.949  -3.952
  368   3HD2  LEU  42          HD23      LEU  42  -5.775  -6.950  -5.371
  369    H    THR  43           HN       THR  43  -5.646  -0.874  -6.820
  370    HA   THR  43           HA       THR  43  -4.868  -0.522  -9.495
  371    HB   THR  43           HB       THR  43  -5.617   1.408  -7.305
  372    HG1  THR  43           HG1      THR  43  -6.948   0.840  -9.760
  373   1HG2  THR  43          HG21      THR  43  -5.016   3.221  -8.463
  374   2HG2  THR  43          HG22      THR  43  -5.719   2.581  -9.953
  375   3HG2  THR  43          HG23      THR  43  -4.069   2.151  -9.499
  376    H    ALA  44           HN       ALA  44  -3.283   0.361  -6.458
  377    HA   ALA  44           HA       ALA  44  -1.234   1.933  -7.638
  378   1HB   ALA  44          HB1       ALA  44  -0.940   0.578  -4.987
  379   2HB   ALA  44          HB2       ALA  44  -0.368   2.166  -5.501
  380   3HB   ALA  44          HB3       ALA  44  -2.086   1.903  -5.203
  381    H    ILE  45           HN       ILE  45  -1.589  -1.463  -7.077
  382    HA   ILE  45           HA       ILE  45   1.292  -1.885  -7.480
  383    HB   ILE  45           HB       ILE  45   0.633  -4.310  -6.777
  384   1HG1  ILE  45          HG12      ILE  45  -1.778  -2.709  -6.040
  385   2HG1  ILE  45          HG13      ILE  45  -1.670  -4.360  -6.611
  386   1HG2  ILE  45          HG21      ILE  45   2.123  -3.049  -5.460
  387   2HG2  ILE  45          HG22      ILE  45   0.850  -1.947  -4.935
  388   3HG2  ILE  45          HG23      ILE  45   0.866  -3.613  -4.361
  389   1HD1  ILE  45          HD11      ILE  45  -1.800  -3.329  -3.919
  390   2HD1  ILE  45          HD12      ILE  45  -2.064  -4.967  -4.516
  391   3HD1  ILE  45          HD13      ILE  45  -0.430  -4.418  -4.140
  392    H    GLY  46           HN       GLY  46  -1.355  -1.673  -9.273
  393   1HA   GLY  46          HA1       GLY  46  -1.971  -2.401 -11.350
  394   2HA   GLY  46          HA2       GLY  46  -0.268  -2.769 -11.577
  395    H    ARG  47           HN       ARG  47  -2.561  -4.228  -9.300
  396    HA   ARG  47           HA       ARG  47  -2.165  -6.781 -10.718
  397   1HB   ARG  47          HB2       ARG  47  -1.438  -6.053  -8.002
  398   2HB   ARG  47          HB3       ARG  47  -2.523  -7.434  -8.038
  399   1HG   ARG  47          HG2       ARG  47  -0.963  -8.799  -8.881
  400   2HG   ARG  47          HG3       ARG  47  -0.321  -7.559  -9.964
  401   1HD   ARG  47          HD2       ARG  47   0.137  -7.109  -7.092
  402   2HD   ARG  47          HD3       ARG  47   0.983  -8.491  -7.790
  403    HE   ARG  47           HE       ARG  47   1.188  -5.787  -8.953
  404   1HH1  ARG  47          HH12      ARG  47   2.660  -8.709  -7.703
  405   2HH1  ARG  47          HH11      ARG  47   4.264  -8.245  -8.184
  406   1HH2  ARG  47          HH22      ARG  47   3.297  -5.191  -9.583
  407   2HH2  ARG  47          HH21      ARG  47   4.636  -6.233  -9.197
  408    H    THR  48           HN       THR  48  -3.734  -8.474  -9.733
  409    HA   THR  48           HA       THR  48  -6.376  -7.235  -9.416
  410    HB   THR  48           HB       THR  48  -6.210 -10.157  -9.845
  411    HG1  THR  48           HG1      THR  48  -4.986 -10.017 -11.564
  412   1HG2  THR  48          HG21      THR  48  -8.344  -9.730 -10.336
  413   2HG2  THR  48          HG22      THR  48  -7.804  -8.867 -11.776
  414   3HG2  THR  48          HG23      THR  48  -8.051  -7.992 -10.263
  415    H    GLU  49           HN       GLU  49  -7.782  -9.103  -8.121
  416    HA   GLU  49           HA       GLU  49  -6.873  -8.674  -5.459
  417   1HB   GLU  49          HB2       GLU  49  -9.067 -10.595  -5.772
  418   2HB   GLU  49          HB3       GLU  49  -8.994  -9.097  -4.855
  419   1HG   GLU  49          HG2       GLU  49  -9.166  -7.970  -7.189
  420   2HG   GLU  49          HG3       GLU  49  -9.798  -9.538  -7.689
  421    H    GLU  50           HN       GLU  50  -7.002 -11.489  -7.574
  422    HA   GLU  50           HA       GLU  50  -6.277 -13.321  -5.478
  423   1HB   GLU  50          HB2       GLU  50  -7.594 -14.257  -7.189
  424   2HB   GLU  50          HB3       GLU  50  -6.623 -13.534  -8.461
  425   1HG   GLU  50          HG2       GLU  50  -5.135 -15.389  -6.779
  426   2HG   GLU  50          HG3       GLU  50  -6.498 -16.128  -7.618
  427    H    THR  51           HN       THR  51  -4.633 -11.329  -7.749
  428    HA   THR  51           HA       THR  51  -2.118 -12.746  -7.604
  429    HB   THR  51           HB       THR  51  -1.766 -10.146  -8.688
  430    HG1  THR  51           HG1      THR  51  -3.738 -11.175 -10.284
  431   1HG2  THR  51          HG21      THR  51  -0.655 -12.244  -9.391
  432   2HG2  THR  51          HG22      THR  51  -1.343 -11.344 -10.744
  433   3HG2  THR  51          HG23      THR  51  -2.173 -12.769 -10.120
  434    H    VAL  52           HN       VAL  52  -3.681 -10.998  -5.409
  435    HA   VAL  52           HA       VAL  52  -1.284  -9.608  -4.460
  436    HB   VAL  52           HB       VAL  52  -4.009  -8.598  -4.904
  437   1HG1  VAL  52          HG11      VAL  52  -2.493  -7.719  -2.451
  438   2HG1  VAL  52          HG12      VAL  52  -3.952  -6.966  -3.098
  439   3HG1  VAL  52          HG13      VAL  52  -4.015  -8.611  -2.462
  440   1HG2  VAL  52          HG21      VAL  52  -2.904  -6.940  -5.887
  441   2HG2  VAL  52          HG22      VAL  52  -1.852  -6.695  -4.494
  442   3HG2  VAL  52          HG23      VAL  52  -1.463  -7.937  -5.686
  443    H    VAL  53           HN       VAL  53  -3.967 -11.612  -3.663
  444    HA   VAL  53           HA       VAL  53  -3.704 -11.197  -0.837
  445    HB   VAL  53           HB       VAL  53  -5.367 -13.118  -0.668
  446   1HG1  VAL  53          HG11      VAL  53  -6.328 -10.856  -2.398
  447   2HG1  VAL  53          HG12      VAL  53  -7.196 -11.713  -1.121
  448   3HG1  VAL  53          HG13      VAL  53  -5.868 -10.628  -0.710
  449   1HG2  VAL  53          HG21      VAL  53  -5.523 -14.387  -2.508
  450   2HG2  VAL  53          HG22      VAL  53  -6.553 -13.098  -3.133
  451   3HG2  VAL  53          HG23      VAL  53  -4.837 -13.135  -3.543
  452    H    SER  54           HN       SER  54  -1.323 -11.788  -1.130
  453    HA   SER  54           HA       SER  54  -1.051 -14.535  -0.158
  454   1HB   SER  54          HB2       SER  54   1.293 -13.762  -1.690
  455   2HB   SER  54          HB3       SER  54   0.302 -15.212  -1.821
  456    HG   SER  54           HG       SER  54   0.394 -13.092  -3.455
  457    H    GLN  55           HN       GLN  55   1.926 -13.067  -0.729
  458    HA   GLN  55           HA       GLN  55   2.135 -12.316   2.105
  459   1HB   GLN  55          HB2       GLN  55   4.707 -12.354   0.919
  460   2HB   GLN  55          HB3       GLN  55   4.046 -13.473   2.100
  461   1HG   GLN  55          HG2       GLN  55   4.708 -14.890   0.421
  462   2HG   GLN  55          HG3       GLN  55   3.009 -14.642   0.026
  463   1HE2  GLN  55          HE21      GLN  55   6.293 -14.007  -0.880
  464   2HE2  GLN  55          HE22      GLN  55   5.943 -13.372  -2.454
  465    H    LEU  56           HN       LEU  56   1.264 -10.786  -0.434
  466    HA   LEU  56           HA       LEU  56   3.132  -8.765  -0.978
  467   1HB   LEU  56          HB2       LEU  56   0.895  -9.500  -2.158
  468   2HB   LEU  56          HB3       LEU  56   0.198  -8.248  -1.149
  469    HG   LEU  56           HG       LEU  56   2.553  -7.272  -2.511
  470   1HD1  LEU  56          HD11      LEU  56   1.428  -7.263  -4.778
  471   2HD1  LEU  56          HD12      LEU  56   2.136  -8.794  -4.261
  472   3HD1  LEU  56          HD13      LEU  56   0.393  -8.551  -4.160
  473   1HD2  LEU  56          HD21      LEU  56   1.124  -5.652  -1.708
  474   2HD2  LEU  56          HD22      LEU  56   0.668  -5.712  -3.411
  475   3HD2  LEU  56          HD23      LEU  56  -0.323  -6.531  -2.203
  476    H    ARG  57           HN       ARG  57   3.617  -6.888  -0.005
  477    HA   ARG  57           HA       ARG  57   1.879  -5.891   2.140
  478   1HB   ARG  57          HB2       ARG  57   4.894  -6.010   2.346
  479   2HB   ARG  57          HB3       ARG  57   3.775  -5.446   3.579
  480   1HG   ARG  57          HG2       ARG  57   3.274  -8.185   2.691
  481   2HG   ARG  57          HG3       ARG  57   4.854  -7.944   3.440
  482   1HD   ARG  57          HD2       ARG  57   3.281  -6.580   5.161
  483   2HD   ARG  57          HD3       ARG  57   2.155  -7.824   4.615
  484    HE   ARG  57           HE       ARG  57   3.995  -9.436   5.257
  485   1HH1  ARG  57          HH12      ARG  57   3.561  -6.343   6.873
  486   2HH1  ARG  57          HH11      ARG  57   4.322  -6.883   8.339
  487   1HH2  ARG  57          HH22      ARG  57   4.977 -10.120   7.168
  488   2HH2  ARG  57          HH21      ARG  57   5.121  -9.017   8.512
  489    H    ILE  58           HN       ILE  58   2.292  -3.596   2.632
  490    HA   ILE  58           HA       ILE  58   3.483  -2.149   0.359
  491    HB   ILE  58           HB       ILE  58   0.839  -1.506   1.680
  492   1HG1  ILE  58          HG12      ILE  58   0.703  -3.384   0.097
  493   2HG1  ILE  58          HG13      ILE  58  -0.146  -1.969  -0.515
  494   1HG2  ILE  58          HG21      ILE  58   0.653   0.349   0.159
  495   2HG2  ILE  58          HG22      ILE  58   2.154   0.499   1.074
  496   3HG2  ILE  58          HG23      ILE  58   2.191  -0.068  -0.595
  497   1HD1  ILE  58          HD11      ILE  58   2.247  -3.341  -1.547
  498   2HD1  ILE  58          HD12      ILE  58   0.951  -2.502  -2.404
  499   3HD1  ILE  58          HD13      ILE  58   2.251  -1.579  -1.650
  500    H    CYS  59           HN       CYS  59   4.856  -0.597   0.951
  501    HA   CYS  59           HA       CYS  59   5.579  -0.055   3.586
  502   1HB   CYS  59          HB2       CYS  59   6.003   1.867   1.301
  503   2HB   CYS  59          HB3       CYS  59   7.020   1.613   2.714
  504    H    SER  60           HN       SER  60   5.176   1.623   4.991
  505    HA   SER  60           HA       SER  60   2.624   2.829   4.942
  506   1HB   SER  60          HB2       SER  60   4.183   4.277   6.749
  507   2HB   SER  60          HB3       SER  60   3.203   2.854   7.116
  508    HG   SER  60           HG       SER  60   5.554   2.823   7.666
  509    H    ALA  61           HN       ALA  61   5.498   3.669   3.385
  510    HA   ALA  61           HA       ALA  61   5.195   6.531   3.480
  511   1HB   ALA  61          HB1       ALA  61   7.112   6.608   2.037
  512   2HB   ALA  61          HB2       ALA  61   7.399   5.402   3.291
  513   3HB   ALA  61          HB3       ALA  61   6.955   4.892   1.663
  514    H    HIS  62           HN       HIS  62   3.629   4.117   1.815
  515    HA   HIS  62           HA       HIS  62   3.318   5.586  -0.671
  516   1HB   HIS  62          HB2       HIS  62   2.160   2.958   0.285
  517   2HB   HIS  62          HB3       HIS  62   1.811   3.667  -1.288
  518    HD1  HIS  62           HD1      HIS  62   4.061   4.018  -2.860
  519    HD2  HIS  62           HD2      HIS  62   4.331   1.365   0.346
  520    HE1  HIS  62           HE1      HIS  62   6.082   2.533  -3.312
  521    H    PHE  63           HN       PHE  63   2.294   6.496   2.050
  522    HA   PHE  63           HA       PHE  63  -0.487   6.988   1.237
  523   1HB   PHE  63          HB2       PHE  63   0.462   6.295   4.025
  524   2HB   PHE  63          HB3       PHE  63  -1.170   6.801   3.611
  525    HD1  PHE  63           HD1      PHE  63  -2.695   5.303   2.512
  526    HD2  PHE  63           HD2      PHE  63   1.290   4.104   3.413
  527    HE1  PHE  63           HE1      PHE  63  -3.303   2.957   2.082
  528    HE2  PHE  63           HE2      PHE  63   0.687   1.762   2.985
  529    HZ   PHE  63           HZ       PHE  63  -1.610   1.187   2.317
  530    H    GLU  64           HN       GLU  64  -1.389   8.937   1.985
  531    HA   GLU  64           HA       GLU  64   0.441  11.094   2.431
  532   1HB   GLU  64          HB2       GLU  64  -1.789  12.378   2.746
  533   2HB   GLU  64          HB3       GLU  64  -1.414  11.725   1.156
  534   1HG   GLU  64          HG2       GLU  64  -3.099  10.224   1.223
  535   2HG   GLU  64          HG3       GLU  64  -2.947   9.967   2.961
  536    H    GLY  65           HN       GLY  65   1.450  10.982   4.374
  537   1HA   GLY  65          HA1       GLY  65   1.255  11.857   6.643
  538   2HA   GLY  65          HA2       GLY  65  -0.287  11.021   6.765
  539    H    GLY  66           HN       GLY  66   0.099   8.535   6.044
  540   1HA   GLY  66          HA1       GLY  66   1.800   6.750   6.204
  541   2HA   GLY  66          HA2       GLY  66   2.430   7.597   7.609
  542    H    GLU  67           HN       GLU  67  -0.896   6.783   6.679
  543    HA   GLU  67           HA       GLU  67  -1.053   4.773   8.763
  544   1HB   GLU  67          HB2       GLU  67  -1.570   6.726  10.066
  545   2HB   GLU  67          HB3       GLU  67  -2.676   7.321   8.836
  546   1HG   GLU  67          HG2       GLU  67  -3.966   6.452  10.632
  547   2HG   GLU  67          HG3       GLU  67  -4.121   5.345   9.269
  548    H    LYS  68           HN       LYS  68  -2.398   3.192   8.225
  549    HA   LYS  68           HA       LYS  68  -4.134   3.534   5.879
  550   1HB   LYS  68          HB2       LYS  68  -2.543   1.710   5.710
  551   2HB   LYS  68          HB3       LYS  68  -3.069   1.062   7.255
  552   1HG   LYS  68          HG2       LYS  68  -5.397   0.939   6.038
  553   2HG   LYS  68          HG3       LYS  68  -4.383   0.925   4.594
  554   1HD   LYS  68          HD2       LYS  68  -5.005  -1.338   5.602
  555   2HD   LYS  68          HD3       LYS  68  -3.299  -1.059   5.242
  556   1HE   LYS  68          HE2       LYS  68  -3.268  -2.013   7.376
  557   2HE   LYS  68          HE3       LYS  68  -3.112  -0.288   7.680
  558   1HZ   LYS  68          HZ1       LYS  68  -5.201  -0.147   8.544
  559   2HZ   LYS  68          HZ2       LYS  68  -4.809  -1.730   9.015
  560   3HZ   LYS  68          HZ3       LYS  68  -5.801  -1.466   7.663
  561    H    LYS  69           HN       LYS  69  -5.957   4.468   6.734
  562    HA   LYS  69           HA       LYS  69  -6.955   3.537   9.304
  563   1HB   LYS  69          HB2       LYS  69  -6.736   5.982   8.671
  564   2HB   LYS  69          HB3       LYS  69  -8.105   5.735   7.596
  565   1HG   LYS  69          HG2       LYS  69  -9.226   4.790   9.782
  566   2HG   LYS  69          HG3       LYS  69  -8.008   5.798  10.566
  567   1HD   LYS  69          HD2       LYS  69  -9.749   7.286  10.374
  568   2HD   LYS  69          HD3       LYS  69  -8.864   7.612   8.884
  569   1HE   LYS  69          HE2       LYS  69 -10.916   7.376   7.968
  570   2HE   LYS  69          HE3       LYS  69 -10.485   5.667   8.013
  571   1HZ   LYS  69          HZ1       LYS  69 -12.119   5.255   9.442
  572   2HZ   LYS  69          HZ2       LYS  69 -12.682   6.834   9.166
  573   3HZ   LYS  69          HZ3       LYS  69 -11.649   6.524  10.471
  574    H    GLU  70           HN       GLU  70  -8.489   4.223   6.132
  575    HA   GLU  70           HA       GLU  70 -10.063   1.832   6.258
  576   1HB   GLU  70          HB2       GLU  70 -11.044   4.021   7.727
  577   2HB   GLU  70          HB3       GLU  70 -12.026   3.938   6.270
  578   1HG   GLU  70          HG2       GLU  70 -12.977   1.972   6.853
  579   2HG   GLU  70          HG3       GLU  70 -11.544   1.397   7.701
  580    H    GLY  71           HN       GLY  71  -9.714   5.075   4.860
  581   1HA   GLY  71          HA1       GLY  71 -10.805   3.970   2.342
  582   2HA   GLY  71          HA2       GLY  71 -10.936   5.658   2.811
  583    H    ASP  72           HN       ASP  72  -7.956   4.605   3.717
  584    HA   ASP  72           HA       ASP  72  -6.736   6.225   1.673
  585   1HB   ASP  72          HB2       ASP  72  -5.042   4.678   3.583
  586   2HB   ASP  72          HB3       ASP  72  -4.919   6.362   3.079
  587    H    ILE  73           HN       ILE  73  -6.142   5.483  -0.192
  588    HA   ILE  73           HA       ILE  73  -5.346   2.680  -0.523
  589    HB   ILE  73           HB       ILE  73  -5.776   4.749  -2.689
  590   1HG1  ILE  73          HG12      ILE  73  -7.855   2.714  -2.303
  591   2HG1  ILE  73          HG13      ILE  73  -7.739   3.886  -0.995
  592   1HG2  ILE  73          HG21      ILE  73  -5.754   3.015  -4.223
  593   2HG2  ILE  73          HG22      ILE  73  -4.491   2.543  -3.085
  594   3HG2  ILE  73          HG23      ILE  73  -6.084   1.791  -2.996
  595   1HD1  ILE  73          HD11      ILE  73  -9.219   4.249  -3.192
  596   2HD1  ILE  73          HD12      ILE  73  -8.516   5.570  -2.259
  597   3HD1  ILE  73          HD13      ILE  73  -7.710   4.994  -3.719
  598    HA   PRO  74           HA       PRO  74  -1.106   4.005  -0.690
  599   1HB   PRO  74          HB2       PRO  74  -0.019   1.967  -2.112
  600   2HB   PRO  74          HB3       PRO  74  -0.491   1.807  -0.416
  601   1HG   PRO  74          HG2       PRO  74  -1.949   0.944  -2.879
  602   2HG   PRO  74          HG3       PRO  74  -1.748   0.092  -1.335
  603   1HD   PRO  74          HD2       PRO  74  -4.008   1.443  -1.991
  604   2HD   PRO  74          HD3       PRO  74  -3.439   1.274  -0.322
  605    H    VAL  75           HN       VAL  75   0.179   5.164  -2.075
  606    HA   VAL  75           HA       VAL  75  -0.395   4.968  -4.956
  607    HB   VAL  75           HB       VAL  75   0.107   7.437  -5.126
  608   1HG1  VAL  75          HG11      VAL  75  -2.313   7.437  -3.482
  609   2HG1  VAL  75          HG12      VAL  75  -2.107   7.806  -5.192
  610   3HG1  VAL  75          HG13      VAL  75  -2.270   6.132  -4.665
  611   1HG2  VAL  75          HG21      VAL  75  -0.187   8.810  -3.120
  612   2HG2  VAL  75          HG22      VAL  75  -0.316   7.350  -2.139
  613   3HG2  VAL  75          HG23      VAL  75   1.196   7.727  -2.966
  614    HA   PRO  76           HA       PRO  76   3.934   4.482  -5.660
  615   1HB   PRO  76          HB2       PRO  76   3.835   6.810  -7.507
  616   2HB   PRO  76          HB3       PRO  76   4.383   5.155  -7.805
  617   1HG   PRO  76          HG2       PRO  76   2.045   6.006  -8.764
  618   2HG   PRO  76          HG3       PRO  76   2.233   4.357  -8.140
  619   1HD   PRO  76          HD2       PRO  76   0.936   6.733  -6.868
  620   2HD   PRO  76          HD3       PRO  76   0.462   5.020  -6.818
  621    H    ASP  77           HN       ASP  77   2.921   7.863  -5.516
  622    HA   ASP  77           HA       ASP  77   4.783   8.442  -3.394
  623   1HB   ASP  77          HB2       ASP  77   6.134   8.701  -5.506
  624   2HB   ASP  77          HB3       ASP  77   5.009   9.960  -6.004
  625    HA   PRO  78           HA       PRO  78   0.967  10.618  -2.680
  626   1HB   PRO  78          HB2       PRO  78   1.634  11.637  -0.238
  627   2HB   PRO  78          HB3       PRO  78   1.082   9.980  -0.495
  628   1HG   PRO  78          HG2       PRO  78   3.858  11.020  -0.148
  629   2HG   PRO  78          HG3       PRO  78   3.126   9.545   0.503
  630   1HD   PRO  78          HD2       PRO  78   4.772   9.531  -1.647
  631   2HD   PRO  78          HD3       PRO  78   3.439   8.373  -1.453
  632    H    THR  79           HN       THR  79   4.052  12.015  -3.077
  633    HA   THR  79           HA       THR  79   2.896  14.715  -2.998
  634    HB   THR  79           HB       THR  79   5.538  15.195  -3.350
  635    HG1  THR  79           HG1      THR  79   5.771  12.747  -3.046
  636   1HG2  THR  79          HG21      THR  79   5.551  15.903  -1.120
  637   2HG2  THR  79          HG22      THR  79   4.456  14.615  -0.615
  638   3HG2  THR  79          HG23      THR  79   3.849  15.964  -1.577
  639    H    VAL  80           HN       VAL  80   4.580  12.400  -5.032
  640    HA   VAL  80           HA       VAL  80   4.726  14.254  -7.263
  641    HB   VAL  80           HB       VAL  80   5.637  11.427  -6.823
  642   1HG1  VAL  80          HG11      VAL  80   5.156  10.962  -8.967
  643   2HG1  VAL  80          HG12      VAL  80   4.955  12.660  -9.397
  644   3HG1  VAL  80          HG13      VAL  80   6.570  11.955  -9.316
  645   1HG2  VAL  80          HG21      VAL  80   6.964  14.036  -7.498
  646   2HG2  VAL  80          HG22      VAL  80   7.165  13.047  -6.053
  647   3HG2  VAL  80          HG23      VAL  80   7.799  12.486  -7.600
  648    H    ASP  81           HN       ASP  81   3.042  11.226  -6.489
  649    HA   ASP  81           HA       ASP  81   1.445  11.457  -8.917
  650   1HB   ASP  81          HB2       ASP  81   2.416   9.246  -8.124
  651   2HB   ASP  81          HB3       ASP  81   1.263   9.305  -6.791
  652    H    LYS  82           HN       LYS  82  -0.933  11.138  -8.722
  653    HA   LYS  82           HA       LYS  82  -2.021  12.905  -6.726
  654   1HB   LYS  82          HB2       LYS  82  -2.783  12.492  -9.219
  655   2HB   LYS  82          HB3       LYS  82  -3.742  11.210  -8.494
  656   1HG   LYS  82          HG2       LYS  82  -4.113  13.557  -6.946
  657   2HG   LYS  82          HG3       LYS  82  -4.306  13.983  -8.647
  658   1HD   LYS  82          HD2       LYS  82  -5.971  12.267  -8.938
  659   2HD   LYS  82          HD3       LYS  82  -5.703  11.677  -7.298
  660   1HE   LYS  82          HE2       LYS  82  -7.230  13.095  -6.537
  661   2HE   LYS  82          HE3       LYS  82  -6.273  14.449  -7.139
  662   1HZ   LYS  82          HZ1       LYS  82  -7.594  14.702  -8.926
  663   2HZ   LYS  82          HZ2       LYS  82  -8.740  13.909  -7.967
  664   3HZ   LYS  82          HZ3       LYS  82  -7.857  13.038  -9.129
  665    H    GLN  83           HN       GLN  83  -1.592  11.847  -4.790
  666    HA   GLN  83           HA       GLN  83  -2.168   9.300  -3.994
  667   1HB   GLN  83          HB2       GLN  83  -1.134  10.627  -2.384
  668   2HB   GLN  83          HB3       GLN  83  -2.288  11.938  -2.573
  669   1HG   GLN  83          HG2       GLN  83  -2.770  11.029  -0.489
  670   2HG   GLN  83          HG3       GLN  83  -4.001  10.353  -1.554
  671   1HE2  GLN  83          HE21      GLN  83  -4.257   8.223  -1.558
  672   2HE2  GLN  83          HE22      GLN  83  -3.160   7.073  -0.875
  673    H    ILE  84           HN       ILE  84  -3.954   8.102  -4.107
  674    HA   ILE  84           HA       ILE  84  -6.504   9.485  -4.233
  675    HB   ILE  84           HB       ILE  84  -7.303   7.138  -5.022
  676   1HG1  ILE  84          HG12      ILE  84  -4.686   6.828  -6.335
  677   2HG1  ILE  84          HG13      ILE  84  -4.682   6.457  -4.611
  678   1HG2  ILE  84          HG21      ILE  84  -7.454   9.059  -6.417
  679   2HG2  ILE  84          HG22      ILE  84  -5.712   9.064  -6.696
  680   3HG2  ILE  84          HG23      ILE  84  -6.709   7.773  -7.367
  681   1HD1  ILE  84          HD11      ILE  84  -6.555   5.251  -6.633
  682   2HD1  ILE  84          HD12      ILE  84  -5.080   4.491  -6.032
  683   3HD1  ILE  84          HD13      ILE  84  -6.418   4.817  -4.929
  684    H    LYS  85           HN       LYS  85  -7.899   9.367  -2.618
  685    HA   LYS  85           HA       LYS  85  -7.868   6.994  -0.863
  686   1HB   LYS  85          HB2       LYS  85  -8.279   8.396   1.089
  687   2HB   LYS  85          HB3       LYS  85  -6.753   8.826   0.333
  688   1HG   LYS  85          HG2       LYS  85  -7.420  10.917  -0.092
  689   2HG   LYS  85          HG3       LYS  85  -9.031  10.407  -0.602
  690   1HD   LYS  85          HD2       LYS  85  -9.883  10.500   1.536
  691   2HD   LYS  85          HD3       LYS  85  -8.306  10.260   2.289
  692   1HE   LYS  85          HE2       LYS  85  -8.707  12.732   0.701
  693   2HE   LYS  85          HE3       LYS  85  -9.536  12.623   2.253
  694   1HZ   LYS  85          HZ1       LYS  85  -6.676  11.950   2.120
  695   2HZ   LYS  85          HZ2       LYS  85  -7.574  12.604   3.405
  696   3HZ   LYS  85          HZ3       LYS  85  -7.133  13.583   2.091
  697    H    ILE  86           HN       ILE  86  -9.905   6.320  -0.175
  698    HA   ILE  86           HA       ILE  86 -12.131   7.328  -1.752
  699    HB   ILE  86           HB       ILE  86 -12.337   5.143   0.304
  700   1HG1  ILE  86          HG12      ILE  86 -11.883   4.325  -2.492
  701   2HG1  ILE  86          HG13      ILE  86 -10.478   5.004  -1.678
  702   1HG2  ILE  86          HG21      ILE  86 -14.194   6.353  -1.307
  703   2HG2  ILE  86          HG22      ILE  86 -13.778   4.900  -2.217
  704   3HG2  ILE  86          HG23      ILE  86 -14.363   4.763  -0.558
  705   1HD1  ILE  86          HD11      ILE  86 -11.926   3.026  -0.091
  706   2HD1  ILE  86          HD12      ILE  86 -11.235   2.397  -1.587
  707   3HD1  ILE  86          HD13      ILE  86 -10.198   3.195  -0.403
  708    H    GLU  87           HN       GLU  87 -13.762   8.551  -0.999
  709    HA   GLU  87           HA       GLU  87 -13.616   9.650   1.645
  710   1HB   GLU  87          HB2       GLU  87 -15.769   9.869  -0.467
  711   2HB   GLU  87          HB3       GLU  87 -15.729  10.796   1.026
  712   1HG   GLU  87          HG2       GLU  87 -13.799  11.974   0.347
  713   2HG   GLU  87          HG3       GLU  87 -13.527  10.882  -1.009
  714    H    LEU  88           HN       LEU  88 -14.004   8.261   3.248
  715    HA   LEU  88           HA       LEU  88 -16.067   6.230   2.950
  716   1HB   LEU  88          HB2       LEU  88 -14.027   5.421   3.853
  717   2HB   LEU  88          HB3       LEU  88 -13.930   6.739   5.004
  718    HG   LEU  88           HG       LEU  88 -16.324   5.414   5.622
  719   1HD1  LEU  88          HD11      LEU  88 -14.124   3.379   5.404
  720   2HD1  LEU  88          HD12      LEU  88 -15.823   3.125   5.804
  721   3HD1  LEU  88          HD13      LEU  88 -15.361   3.572   4.162
  722   1HD2  LEU  88          HD21      LEU  88 -13.844   6.148   6.840
  723   2HD2  LEU  88          HD22      LEU  88 -15.415   5.868   7.593
  724   3HD2  LEU  88          HD23      LEU  88 -14.295   4.524   7.363
  725    HA   PRO  89           HA       PRO  89 -19.045   8.669   5.279
  726   1HB   PRO  89          HB2       PRO  89 -20.387   6.036   5.450
  727   2HB   PRO  89          HB3       PRO  89 -21.010   7.572   4.838
  728   1HG   PRO  89          HG2       PRO  89 -20.395   5.566   3.178
  729   2HG   PRO  89          HG3       PRO  89 -20.098   7.258   2.736
  730   1HD   PRO  89          HD2       PRO  89 -18.166   5.182   3.692
  731   2HD   PRO  89          HD3       PRO  89 -17.961   6.421   2.436
  732    HA   PRO  90           HA       PRO  90 -17.166   7.772   9.219
  733   1HB   PRO  90          HB2       PRO  90 -19.321   8.945  10.637
  734   2HB   PRO  90          HB3       PRO  90 -17.792   9.706  10.196
  735   1HG   PRO  90          HG2       PRO  90 -20.439   9.870   8.869
  736   2HG   PRO  90          HG3       PRO  90 -19.139  11.071   8.940
  737   1HD   PRO  90          HD2       PRO  90 -19.648   9.680   6.705
  738   2HD   PRO  90          HD3       PRO  90 -17.989  10.113   7.171
  739    H    LYS  91           HN       LYS  91 -20.723   7.574   9.357
  740    HA   LYS  91           HA       LYS  91 -20.824   4.777   9.596
  741   1HB   LYS  91          HB2       LYS  91 -20.062   5.992  11.991
  742   2HB   LYS  91          HB3       LYS  91 -21.789   5.724  12.181
  743   1HG   LYS  91          HG2       LYS  91 -21.249   3.671  12.837
  744   2HG   LYS  91          HG3       LYS  91 -20.909   3.340  11.137
  745   1HD   LYS  91          HD2       LYS  91 -18.620   4.608  12.134
  746   2HD   LYS  91          HD3       LYS  91 -19.104   3.451  13.376
  747   1HE   LYS  91          HE2       LYS  91 -17.737   2.171  12.023
  748   2HE   LYS  91          HE3       LYS  91 -19.339   1.802  11.384
  749   1HZ   LYS  91          HZ1       LYS  91 -17.123   2.968  10.066
  750   2HZ   LYS  91          HZ2       LYS  91 -18.440   4.031  10.010
  751   3HZ   LYS  91          HZ3       LYS  91 -18.602   2.452   9.411
  Start of MODEL    4
    1   1H    GLY   1          H1        GLY   1   6.956  -3.936  16.475
    2   2H    GLY   1          H2        GLY   1   7.569  -3.143  15.105
    3   3H    GLY   1          H3        GLY   1   8.632  -3.838  16.232
    4   1HA   GLY   1          HA2       GLY   1   7.887  -6.034  15.683
    5   2HA   GLY   1          HA1       GLY   1   6.684  -5.361  14.593
    6    H    SER   2           HN       SER   2   9.064  -7.180  14.221
    7    HA   SER   2           HA       SER   2  10.127  -5.791  11.882
    8   1HB   SER   2          HB2       SER   2  11.936  -7.178  13.877
    9   2HB   SER   2          HB3       SER   2  12.427  -6.318  12.417
   10    HG   SER   2           HG       SER   2  11.865  -4.397  13.344
   11    H    MET   3           HN       MET   3  10.134  -7.089  10.169
   12    HA   MET   3           HA       MET   3  10.607  -9.925  10.395
   13   1HB   MET   3          HB2       MET   3   8.169  -9.695  10.912
   14   2HB   MET   3          HB3       MET   3   7.940  -8.940   9.341
   15   1HG   MET   3          HG2       MET   3   9.002 -11.114   8.423
   16   2HG   MET   3          HG3       MET   3   8.579 -11.779  10.001
   17   1HE   MET   3          HE1       MET   3   6.420 -10.677   6.412
   18   2HE   MET   3          HE2       MET   3   7.970 -11.458   6.730
   19   3HE   MET   3          HE3       MET   3   6.501 -12.427   6.615
   20    HA   PRO   4           HA       PRO   4  12.480  -8.878   6.496
   21   1HB   PRO   4          HB2       PRO   4  12.233 -11.781   5.945
   22   2HB   PRO   4          HB3       PRO   4  13.670 -10.752   5.949
   23   1HG   PRO   4          HG2       PRO   4  13.216 -12.503   7.916
   24   2HG   PRO   4          HG3       PRO   4  13.941 -10.917   8.244
   25   1HD   PRO   4          HD2       PRO   4  11.134 -11.849   8.690
   26   2HD   PRO   4          HD3       PRO   4  12.148 -10.800   9.702
   27    H    THR   5           HN       THR   5  10.816  -7.783   5.484
   28    HA   THR   5           HA       THR   5   9.067  -9.448   3.795
   29    HB   THR   5           HB       THR   5   8.069  -6.786   4.678
   30    HG1  THR   5           HG1      THR   5   8.873  -8.059   6.581
   31   1HG2  THR   5          HG21      THR   5   6.048  -7.598   4.058
   32   2HG2  THR   5          HG22      THR   5   6.378  -9.205   4.702
   33   3HG2  THR   5          HG23      THR   5   7.027  -8.736   3.131
   34    H    THR   6           HN       THR   6   8.448  -8.494   1.803
   35    HA   THR   6           HA       THR   6  10.106  -6.221   0.972
   36    HB   THR   6           HB       THR   6  10.390  -8.778   0.013
   37    HG1  THR   6           HG1      THR   6  11.861  -7.811  -1.207
   38   1HG2  THR   6          HG21      THR   6   8.388  -7.365  -1.701
   39   2HG2  THR   6          HG22      THR   6   8.488  -9.070  -1.263
   40   3HG2  THR   6          HG23      THR   6   9.602  -8.401  -2.455
   41    H    CYS   7           HN       CYS   7   9.088  -4.650  -0.254
   42    HA   CYS   7           HA       CYS   7   6.289  -4.422  -0.016
   43   1HB   CYS   7          HB2       CYS   7   8.153  -2.587  -0.356
   44   2HB   CYS   7          HB3       CYS   7   7.799  -2.843  -2.062
   45    H    GLY   8           HN       GLY   8   4.686  -4.910  -1.349
   46   1HA   GLY   8          HA1       GLY   8   5.265  -6.652  -3.599
   47   2HA   GLY   8          HA2       GLY   8   3.672  -6.276  -2.950
   48    H    PHE   9           HN       PHE   9   5.137  -3.418  -3.190
   49    HA   PHE   9           HA       PHE   9   3.708  -2.624  -5.532
   50   1HB   PHE   9          HB2       PHE   9   4.777  -1.338  -3.309
   51   2HB   PHE   9          HB3       PHE   9   5.766  -0.767  -4.651
   52    HD1  PHE   9           HD1      PHE   9   2.501  -0.702  -3.087
   53    HD2  PHE   9           HD2      PHE   9   4.742   0.459  -6.511
   54    HE1  PHE   9           HE1      PHE   9   0.738   0.898  -3.693
   55    HE2  PHE   9           HE2      PHE   9   2.985   2.062  -7.123
   56    HZ   PHE   9           HZ       PHE   9   0.982   2.288  -5.714
   57    HA   PRO  10           HA       PRO  10   7.032  -3.735  -8.300
   58   1HB   PRO  10          HB2       PRO  10   5.823  -2.959 -10.592
   59   2HB   PRO  10          HB3       PRO  10   5.383  -4.445  -9.742
   60   1HG   PRO  10          HG2       PRO  10   4.019  -1.786  -9.742
   61   2HG   PRO  10          HG3       PRO  10   3.311  -3.410  -9.800
   62   1HD   PRO  10          HD2       PRO  10   3.454  -1.903  -7.525
   63   2HD   PRO  10          HD3       PRO  10   3.434  -3.677  -7.527
   64    H    ASN  11           HN       ASN  11   5.962  -0.721  -7.406
   65    HA   ASN  11           HA       ASN  11   8.169   0.572  -8.838
   66   1HB   ASN  11          HB2       ASN  11   5.648   1.052  -9.620
   67   2HB   ASN  11          HB3       ASN  11   5.746   2.214  -8.301
   68   1HD2  ASN  11          HD21      ASN  11   6.016   1.967 -11.490
   69   2HD2  ASN  11          HD22      ASN  11   7.185   3.209 -11.806
   70    H    CYS  12           HN       CYS  12   8.106  -0.497  -6.168
   71    HA   CYS  12           HA       CYS  12   7.971   1.804  -4.428
   72   1HB   CYS  12          HB2       CYS  12   7.516  -0.559  -3.637
   73   2HB   CYS  12          HB3       CYS  12   9.241  -0.874  -3.821
   74    H    LYS  13           HN       LYS  13   9.361   3.232  -5.410
   75    HA   LYS  13           HA       LYS  13  12.138   2.557  -5.834
   76   1HB   LYS  13          HB2       LYS  13  12.359   4.936  -6.488
   77   2HB   LYS  13          HB3       LYS  13  11.073   4.117  -7.362
   78   1HG   LYS  13          HG2       LYS  13  10.212   5.471  -4.904
   79   2HG   LYS  13          HG3       LYS  13  10.839   6.537  -6.165
   80   1HD   LYS  13          HD2       LYS  13   8.966   4.446  -7.073
   81   2HD   LYS  13          HD3       LYS  13   8.272   5.690  -6.029
   82   1HE   LYS  13          HE2       LYS  13   8.058   6.908  -7.888
   83   2HE   LYS  13          HE3       LYS  13   9.801   7.144  -7.793
   84   1HZ   LYS  13          HZ1       LYS  13   8.690   4.781  -9.162
   85   2HZ   LYS  13          HZ2       LYS  13  10.194   5.530  -9.380
   86   3HZ   LYS  13          HZ3       LYS  13   8.784   6.269  -9.968
   87    H    PHE  14           HN       PHE  14  10.493   2.922  -3.137
   88    HA   PHE  14           HA       PHE  14  12.116   4.907  -1.797
   89   1HB   PHE  14          HB2       PHE  14   9.917   3.131  -0.717
   90   2HB   PHE  14          HB3       PHE  14  10.649   4.497   0.123
   91    HD1  PHE  14           HD1      PHE  14  10.314   6.798  -0.760
   92    HD2  PHE  14           HD2      PHE  14   8.204   3.442  -2.309
   93    HE1  PHE  14           HE1      PHE  14   8.662   8.311  -1.782
   94    HE2  PHE  14           HE2      PHE  14   6.550   4.946  -3.332
   95    HZ   PHE  14           HZ       PHE  14   6.778   7.386  -3.068
   96    H    ARG  15           HN       ARG  15  11.614   1.399  -1.684
   97    HA   ARG  15           HA       ARG  15  13.335   0.895   0.483
   98   1HB   ARG  15          HB2       ARG  15  13.564  -1.424  -0.737
   99   2HB   ARG  15          HB3       ARG  15  12.052  -0.952   0.019
  100   1HG   ARG  15          HG2       ARG  15  10.973  -1.163  -1.896
  101   2HG   ARG  15          HG3       ARG  15  12.066  -0.026  -2.681
  102   1HD   ARG  15          HD2       ARG  15  12.441  -1.875  -3.969
  103   2HD   ARG  15          HD3       ARG  15  13.671  -2.118  -2.730
  104    HE   ARG  15           HE       ARG  15  12.607  -4.048  -2.176
  105   1HH1  ARG  15          HH12      ARG  15  10.226  -1.954  -3.677
  106   2HH1  ARG  15          HH11      ARG  15   8.960  -3.133  -3.599
  107   1HH2  ARG  15          HH22      ARG  15  10.940  -5.611  -2.100
  108   2HH2  ARG  15          HH21      ARG  15   9.361  -5.205  -2.711
  109    H    SER  16           HN       SER  16  13.959   1.316  -2.940
  110    HA   SER  16           HA       SER  16  16.730   0.528  -2.691
  111   1HB   SER  16          HB2       SER  16  16.389   1.687  -5.190
  112   2HB   SER  16          HB3       SER  16  16.253  -0.033  -4.817
  113    HG   SER  16           HG       SER  16  14.351   1.630  -5.652
  114    H    ARG  17           HN       ARG  17  14.885   3.383  -2.398
  115    HA   ARG  17           HA       ARG  17  16.449   5.390  -3.454
  116   1HB   ARG  17          HB2       ARG  17  14.167   5.599  -2.412
  117   2HB   ARG  17          HB3       ARG  17  14.954   5.598  -0.841
  118   1HG   ARG  17          HG2       ARG  17  16.041   7.655  -1.286
  119   2HG   ARG  17          HG3       ARG  17  15.582   7.603  -2.991
  120   1HD   ARG  17          HD2       ARG  17  13.507   8.379  -2.586
  121   2HD   ARG  17          HD3       ARG  17  13.344   7.449  -1.099
  122    HE   ARG  17           HE       ARG  17  14.945   9.275  -0.194
  123   1HH1  ARG  17          HH12      ARG  17  12.369   9.733  -2.522
  124   2HH1  ARG  17          HH11      ARG  17  12.079  11.386  -2.064
  125   1HH2  ARG  17          HH22      ARG  17  14.598  11.444   0.403
  126   2HH2  ARG  17          HH21      ARG  17  13.365  12.376  -0.409
  127    H    TYR  18           HN       TYR  18  16.683   3.982  -0.204
  128    HA   TYR  18           HA       TYR  18  19.231   5.414   0.151
  129   1HB   TYR  18          HB2       TYR  18  18.230   4.082   2.538
  130   2HB   TYR  18          HB3       TYR  18  18.695   5.762   2.306
  131    HD1  TYR  18           HD1      TYR  18  17.039   7.446   1.765
  132    HD2  TYR  18           HD2      TYR  18  15.917   3.372   2.257
  133    HE1  TYR  18           HE1      TYR  18  14.679   8.121   1.918
  134    HE2  TYR  18           HE2      TYR  18  13.557   4.036   2.409
  135    HH   TYR  18           HH       TYR  18  12.106   5.699   2.317
  136    H    ARG  19           HN       ARG  19  18.405   2.703  -1.139
  137    HA   ARG  19           HA       ARG  19  19.062   0.520  -1.220
  138   1HB   ARG  19          HB2       ARG  19  21.598   1.805  -0.186
  139   2HB   ARG  19          HB3       ARG  19  21.504   0.143  -0.752
  140   1HG   ARG  19          HG2       ARG  19  20.711   2.469  -2.470
  141   2HG   ARG  19          HG3       ARG  19  22.367   1.868  -2.389
  142   1HD   ARG  19          HD2       ARG  19  21.889   0.004  -3.563
  143   2HD   ARG  19          HD3       ARG  19  20.296  -0.177  -2.827
  144    HE   ARG  19           HE       ARG  19  20.629   1.979  -4.765
  145   1HH1  ARG  19          HH12      ARG  19  19.478  -1.274  -4.109
  146   2HH1  ARG  19          HH11      ARG  19  18.437  -1.309  -5.507
  147   1HH2  ARG  19          HH22      ARG  19  19.230   1.928  -6.571
  148   2HH2  ARG  19          HH21      ARG  19  18.291   0.491  -6.887
  149    H    GLY  20           HN       GLY  20  17.445   0.684   0.778
  150   1HA   GLY  20          HA1       GLY  20  18.870  -0.164   3.215
  151   2HA   GLY  20          HA2       GLY  20  17.355   0.722   3.215
  152    H    LEU  21           HN       LEU  21  15.429  -0.365   2.585
  153    HA   LEU  21           HA       LEU  21  13.940  -2.049   2.880
  154   1HB   LEU  21          HB2       LEU  21  16.271  -3.534   1.755
  155   2HB   LEU  21          HB3       LEU  21  14.972  -4.463   2.475
  156    HG   LEU  21           HG       LEU  21  14.017  -2.438   0.601
  157   1HD1  LEU  21          HD11      LEU  21  16.149  -2.975  -0.482
  158   2HD1  LEU  21          HD12      LEU  21  15.717  -4.686  -0.459
  159   3HD1  LEU  21          HD13      LEU  21  14.765  -3.551  -1.411
  160   1HD2  LEU  21          HD21      LEU  21  12.340  -3.886   0.547
  161   2HD2  LEU  21          HD22      LEU  21  13.403  -5.146  -0.080
  162   3HD2  LEU  21          HD23      LEU  21  13.232  -4.923   1.661
  163    H    GLU  22           HN       GLU  22  15.812  -1.047   4.861
  164    HA   GLU  22           HA       GLU  22  15.416  -3.076   6.952
  165   1HB   GLU  22          HB2       GLU  22  17.858  -2.755   6.097
  166   2HB   GLU  22          HB3       GLU  22  17.773  -1.210   6.929
  167   1HG   GLU  22          HG2       GLU  22  16.886  -3.340   8.646
  168   2HG   GLU  22          HG3       GLU  22  18.494  -3.674   8.002
  169    H    ASP  23           HN       ASP  23  14.212  -0.536   5.791
  170    HA   ASP  23           HA       ASP  23  14.506   1.600   7.587
  171   1HB   ASP  23          HB2       ASP  23  11.935   1.090   6.123
  172   2HB   ASP  23          HB3       ASP  23  12.730   2.621   6.454
  173    H    ASN  24           HN       ASN  24  12.993  -1.378   7.964
  174    HA   ASN  24           HA       ASN  24  11.422  -2.274   9.341
  175   1HB   ASN  24          HB2       ASN  24  13.180  -1.071  10.952
  176   2HB   ASN  24          HB3       ASN  24  11.770  -0.095  11.349
  177   1HD2  ASN  24          HD21      ASN  24   9.732  -1.543  11.660
  178   2HD2  ASN  24          HD22      ASN  24   9.956  -2.905  12.707
  179    H    ARG  25           HN       ARG  25  10.408  -0.684   7.378
  180    HA   ARG  25           HA       ARG  25   8.533   1.230   8.398
  181   1HB   ARG  25          HB2       ARG  25   9.486   0.359   5.811
  182   2HB   ARG  25          HB3       ARG  25   7.731   0.452   5.818
  183   1HG   ARG  25          HG2       ARG  25   8.162   2.790   6.914
  184   2HG   ARG  25          HG3       ARG  25   9.748   2.613   6.166
  185   1HD   ARG  25          HD2       ARG  25   7.068   2.568   4.786
  186   2HD   ARG  25          HD3       ARG  25   8.300   3.822   4.670
  187    HE   ARG  25           HE       ARG  25   8.117   1.501   3.084
  188   1HH1  ARG  25          HH12      ARG  25  10.530   3.456   4.730
  189   2HH1  ARG  25          HH11      ARG  25  11.840   2.939   3.711
  190   1HH2  ARG  25          HH22      ARG  25   9.818   0.868   1.717
  191   2HH2  ARG  25          HH21      ARG  25  11.425   1.469   1.992
  192    H    HIS  26           HN       HIS  26   6.235   1.034   8.234
  193    HA   HIS  26           HA       HIS  26   5.254  -1.495   9.119
  194   1HB   HIS  26          HB2       HIS  26   4.352   1.161   9.208
  195   2HB   HIS  26          HB3       HIS  26   3.169   0.297   8.239
  196    HD2  HIS  26           HD2      HIS  26   3.730   1.122  11.770
  197    HE1  HIS  26           HE1      HIS  26   1.631  -2.551  11.822
  198    HE2  HIS  26           HE2      HIS  26   2.227  -0.476  13.160
  199    H    PHE  27           HN       PHE  27   4.946  -3.136   7.814
  200    HA   PHE  27           HA       PHE  27   4.272  -2.694   5.009
  201   1HB   PHE  27          HB2       PHE  27   5.251  -5.047   6.594
  202   2HB   PHE  27          HB3       PHE  27   4.455  -5.309   5.045
  203    HD1  PHE  27           HD1      PHE  27   7.497  -4.415   6.706
  204    HD2  PHE  27           HD2      PHE  27   5.415  -4.198   3.001
  205    HE1  PHE  27           HE1      PHE  27   9.619  -3.983   5.545
  206    HE2  PHE  27           HE2      PHE  27   7.536  -3.762   1.834
  207    HZ   PHE  27           HZ       PHE  27   9.640  -3.659   3.101
  208    H    TYR  28           HN       TYR  28   2.210  -2.622   4.448
  209    HA   TYR  28           HA       TYR  28   0.200  -3.187   6.419
  210   1HB   TYR  28          HB2       TYR  28   0.143  -2.095   3.615
  211   2HB   TYR  28          HB3       TYR  28  -1.341  -2.469   4.481
  212    HD1  TYR  28           HD1      TYR  28   1.705  -1.075   6.052
  213    HD2  TYR  28           HD2      TYR  28  -2.214  -0.271   4.612
  214    HE1  TYR  28           HE1      TYR  28   1.771   1.132   7.127
  215    HE2  TYR  28           HE2      TYR  28  -2.154   1.939   5.683
  216    HH   TYR  28           HH       TYR  28   0.456   3.476   6.630
  217    H    ARG  29           HN       ARG  29  -1.317  -4.744   6.438
  218    HA   ARG  29           HA       ARG  29  -0.732  -7.145   4.955
  219   1HB   ARG  29          HB2       ARG  29  -1.520  -6.850   7.448
  220   2HB   ARG  29          HB3       ARG  29  -3.124  -6.832   6.730
  221   1HG   ARG  29          HG2       ARG  29  -2.500  -9.053   7.514
  222   2HG   ARG  29          HG3       ARG  29  -2.744  -9.022   5.767
  223   1HD   ARG  29          HD2       ARG  29  -0.169  -8.591   5.711
  224   2HD   ARG  29          HD3       ARG  29  -0.215  -9.296   7.327
  225    HE   ARG  29           HE       ARG  29  -0.672 -11.355   6.413
  226   1HH1  ARG  29          HH12      ARG  29  -0.958  -8.884   3.945
  227   2HH1  ARG  29          HH11      ARG  29  -1.105 -10.016   2.640
  228   1HH2  ARG  29          HH22      ARG  29  -0.845 -12.851   4.694
  229   2HH2  ARG  29          HH21      ARG  29  -1.013 -12.270   3.068
  230    H    ILE  30           HN       ILE  30  -2.273  -4.469   4.161
  231    HA   ILE  30           HA       ILE  30  -3.674  -3.827   2.516
  232    HB   ILE  30           HB       ILE  30  -3.671  -6.762   1.816
  233   1HG1  ILE  30          HG12      ILE  30  -2.429  -4.425   0.360
  234   2HG1  ILE  30          HG13      ILE  30  -1.563  -5.378   1.560
  235   1HG2  ILE  30          HG21      ILE  30  -5.767  -5.430   1.139
  236   2HG2  ILE  30          HG22      ILE  30  -4.699  -4.583   0.020
  237   3HG2  ILE  30          HG23      ILE  30  -4.919  -6.327  -0.119
  238   1HD1  ILE  30          HD11      ILE  30  -2.040  -7.395   0.151
  239   2HD1  ILE  30          HD12      ILE  30  -2.636  -6.289  -1.088
  240   3HD1  ILE  30          HD13      ILE  30  -0.954  -6.203  -0.564
  241    HA   PRO  31           HA       PRO  31  -7.359  -4.019   5.097
  242   1HB   PRO  31          HB2       PRO  31  -8.261  -2.325   2.829
  243   2HB   PRO  31          HB3       PRO  31  -8.365  -2.041   4.569
  244   1HG   PRO  31          HG2       PRO  31  -6.561  -0.833   2.914
  245   2HG   PRO  31          HG3       PRO  31  -6.311  -1.057   4.651
  246   1HD   PRO  31          HD2       PRO  31  -4.993  -2.365   2.394
  247   2HD   PRO  31          HD3       PRO  31  -4.521  -2.339   4.102
  248    H    LYS  32           HN       LYS  32  -8.537  -5.810   4.930
  249    HA   LYS  32           HA       LYS  32  -9.477  -6.637   2.271
  250   1HB   LYS  32          HB2       LYS  32 -10.114  -8.735   3.877
  251   2HB   LYS  32          HB3       LYS  32  -8.609  -8.600   2.981
  252   1HG   LYS  32          HG2       LYS  32  -8.174  -7.231   5.383
  253   2HG   LYS  32          HG3       LYS  32  -9.046  -8.703   5.816
  254   1HD   LYS  32          HD2       LYS  32  -7.345 -10.064   5.167
  255   2HD   LYS  32          HD3       LYS  32  -6.826  -8.979   3.875
  256   1HE   LYS  32          HE2       LYS  32  -5.113  -8.978   5.525
  257   2HE   LYS  32          HE3       LYS  32  -5.954  -7.436   5.648
  258   1HZ   LYS  32          HZ1       LYS  32  -5.449  -8.595   7.805
  259   2HZ   LYS  32          HZ2       LYS  32  -6.609  -9.753   7.374
  260   3HZ   LYS  32          HZ3       LYS  32  -7.067  -8.134   7.585
  261    H    ARG  33           HN       ARG  33 -10.417  -4.791   4.601
  262    HA   ARG  33           HA       ARG  33 -13.254  -5.299   4.170
  263   1HB   ARG  33          HB2       ARG  33 -12.906  -6.431   6.257
  264   2HB   ARG  33          HB3       ARG  33 -11.921  -5.116   6.877
  265   1HG   ARG  33          HG2       ARG  33 -14.419  -3.997   6.248
  266   2HG   ARG  33          HG3       ARG  33 -14.744  -5.519   7.081
  267   1HD   ARG  33          HD2       ARG  33 -13.018  -4.750   8.794
  268   2HD   ARG  33          HD3       ARG  33 -13.154  -3.160   8.050
  269    HE   ARG  33           HE       ARG  33 -15.443  -4.584   9.259
  270   1HH1  ARG  33          HH12      ARG  33 -13.580  -1.670   8.693
  271   2HH1  ARG  33          HH11      ARG  33 -14.653  -0.655   9.620
  272   1HH2  ARG  33          HH22      ARG  33 -16.864  -3.251  10.461
  273   2HH2  ARG  33          HH21      ARG  33 -16.528  -1.546  10.595
  274    HA   PRO  34           HA       PRO  34 -14.813  -4.391   3.579
  275   1HB   PRO  34          HB2       PRO  34 -15.242  -2.408   1.494
  276   2HB   PRO  34          HB3       PRO  34 -16.361  -2.979   2.731
  277   1HG   PRO  34          HG2       PRO  34 -15.327  -0.469   2.724
  278   2HG   PRO  34          HG3       PRO  34 -15.784  -1.322   4.209
  279   1HD   PRO  34          HD2       PRO  34 -13.070  -0.942   2.995
  280   2HD   PRO  34          HD3       PRO  34 -13.567  -0.854   4.700
  281    H    LEU  35           HN       LEU  35 -15.088  -5.433   1.472
  282    HA   LEU  35           HA       LEU  35 -12.544  -6.120   0.379
  283   1HB   LEU  35          HB2       LEU  35 -15.270  -7.089   0.228
  284   2HB   LEU  35          HB3       LEU  35 -14.491  -7.125  -1.344
  285    HG   LEU  35           HG       LEU  35 -12.681  -8.188   0.600
  286   1HD1  LEU  35          HD11      LEU  35 -14.081 -10.239   1.119
  287   2HD1  LEU  35          HD12      LEU  35 -14.440  -8.775   2.034
  288   3HD1  LEU  35          HD13      LEU  35 -15.483  -9.255   0.696
  289   1HD2  LEU  35          HD21      LEU  35 -12.210  -9.363  -1.218
  290   2HD2  LEU  35          HD22      LEU  35 -13.763 -10.192  -1.095
  291   3HD2  LEU  35          HD23      LEU  35 -13.631  -8.697  -2.022
  292    H    ILE  36           HN       ILE  36 -15.066  -3.918  -0.540
  293    HA   ILE  36           HA       ILE  36 -14.229  -3.547  -3.237
  294    HB   ILE  36           HB       ILE  36 -15.763  -1.638  -1.465
  295   1HG1  ILE  36          HG12      ILE  36 -17.000  -3.681  -1.619
  296   2HG1  ILE  36          HG13      ILE  36 -17.740  -2.550  -2.749
  297   1HG2  ILE  36          HG21      ILE  36 -15.140  -0.283  -3.204
  298   2HG2  ILE  36          HG22      ILE  36 -15.055  -1.617  -4.357
  299   3HG2  ILE  36          HG23      ILE  36 -16.622  -0.980  -3.860
  300   1HD1  ILE  36          HD11      ILE  36 -15.791  -3.930  -4.216
  301   2HD1  ILE  36          HD12      ILE  36 -16.621  -5.141  -3.240
  302   3HD1  ILE  36          HD13      ILE  36 -17.544  -4.099  -4.321
  303    H    LEU  37           HN       LEU  37 -13.526  -1.860  -0.193
  304    HA   LEU  37           HA       LEU  37 -11.751   0.052  -1.243
  305   1HB   LEU  37          HB2       LEU  37 -12.324   0.505   0.940
  306   2HB   LEU  37          HB3       LEU  37 -12.213  -1.173   1.428
  307    HG   LEU  37           HG       LEU  37  -9.634  -0.768   0.977
  308   1HD1  LEU  37          HD11      LEU  37 -10.307   1.656   0.289
  309   2HD1  LEU  37          HD12      LEU  37 -10.325   1.929   2.033
  310   3HD1  LEU  37          HD13      LEU  37  -8.850   1.370   1.242
  311   1HD2  LEU  37          HD21      LEU  37 -10.584  -1.511   3.075
  312   2HD2  LEU  37          HD22      LEU  37  -9.392  -0.242   3.362
  313   3HD2  LEU  37          HD23      LEU  37 -11.114   0.132   3.441
  314    H    ARG  38           HN       ARG  38 -11.278  -3.247  -0.097
  315    HA   ARG  38           HA       ARG  38  -8.527  -3.495  -0.451
  316   1HB   ARG  38          HB2       ARG  38  -9.830  -5.197   0.662
  317   2HB   ARG  38          HB3       ARG  38 -10.763  -5.503  -0.793
  318   1HG   ARG  38          HG2       ARG  38  -8.610  -6.253  -1.869
  319   2HG   ARG  38          HG3       ARG  38  -7.891  -6.199  -0.255
  320   1HD   ARG  38          HD2       ARG  38  -8.956  -8.061   0.410
  321   2HD   ARG  38          HD3       ARG  38 -10.458  -7.602  -0.388
  322    HE   ARG  38           HE       ARG  38  -8.505  -9.405  -1.357
  323   1HH1  ARG  38          HH12      ARG  38 -10.713  -6.924  -2.495
  324   2HH1  ARG  38          HH11      ARG  38 -10.878  -7.637  -4.069
  325   1HH2  ARG  38          HH22      ARG  38  -8.754 -10.335  -3.420
  326   2HH2  ARG  38          HH21      ARG  38  -9.792  -9.549  -4.591
  327    H    GLN  39           HN       GLN  39 -11.181  -3.804  -2.752
  328    HA   GLN  39           HA       GLN  39  -9.632  -4.643  -4.978
  329   1HB   GLN  39          HB2       GLN  39 -12.093  -4.923  -4.780
  330   2HB   GLN  39          HB3       GLN  39 -12.282  -3.181  -4.931
  331   1HG   GLN  39          HG2       GLN  39 -10.721  -4.193  -7.113
  332   2HG   GLN  39          HG3       GLN  39 -12.236  -5.088  -6.969
  333   1HE2  GLN  39          HE21      GLN  39 -13.990  -4.229  -7.802
  334   2HE2  GLN  39          HE22      GLN  39 -14.172  -2.580  -8.308
  335    H    ARG  40           HN       ARG  40 -10.675  -1.502  -3.759
  336    HA   ARG  40           HA       ARG  40  -9.726   0.048  -5.925
  337   1HB   ARG  40          HB2       ARG  40 -10.111   0.833  -3.030
  338   2HB   ARG  40          HB3       ARG  40  -9.875   1.954  -4.362
  339   1HG   ARG  40          HG2       ARG  40 -12.121   0.004  -4.471
  340   2HG   ARG  40          HG3       ARG  40 -12.254   1.436  -3.451
  341   1HD   ARG  40          HD2       ARG  40 -12.520   2.798  -5.209
  342   2HD   ARG  40          HD3       ARG  40 -11.252   1.994  -6.134
  343    HE   ARG  40           HE       ARG  40 -12.838   0.551  -7.040
  344   1HH1  ARG  40          HH12      ARG  40 -14.284   2.757  -4.743
  345   2HH1  ARG  40          HH11      ARG  40 -15.912   2.408  -5.230
  346   1HH2  ARG  40          HH22      ARG  40 -14.986   0.057  -7.672
  347   2HH2  ARG  40          HH21      ARG  40 -16.315   0.840  -6.859
  348    H    TRP  41           HN       TRP  41  -8.166  -1.406  -3.205
  349    HA   TRP  41           HA       TRP  41  -5.817   0.165  -3.107
  350   1HB   TRP  41          HB2       TRP  41  -6.768  -2.379  -1.995
  351   2HB   TRP  41          HB3       TRP  41  -5.030  -2.338  -2.272
  352    HD1  TRP  41           HD1      TRP  41  -7.543   0.222  -0.784
  353    HE1  TRP  41           HE1      TRP  41  -6.500   1.186   1.360
  354    HE3  TRP  41           HE3      TRP  41  -3.178  -2.438  -0.750
  355    HZ2  TRP  41           HZ2      TRP  41  -4.140   0.850   2.867
  356    HZ3  TRP  41           HZ3      TRP  41  -1.580  -2.055   1.081
  357    HH2  TRP  41           HH2      TRP  41  -2.059  -0.443   2.847
  358    H    LEU  42           HN       LEU  42  -6.798  -2.509  -5.127
  359    HA   LEU  42           HA       LEU  42  -4.290  -3.288  -6.106
  360   1HB   LEU  42          HB2       LEU  42  -6.822  -3.400  -7.719
  361   2HB   LEU  42          HB3       LEU  42  -5.449  -4.487  -7.780
  362    HG   LEU  42           HG       LEU  42  -7.568  -4.315  -5.645
  363   1HD1  LEU  42          HD11      LEU  42  -7.316  -5.823  -7.990
  364   2HD1  LEU  42          HD12      LEU  42  -6.945  -6.925  -6.665
  365   3HD1  LEU  42          HD13      LEU  42  -8.478  -6.050  -6.684
  366   1HD2  LEU  42          HD21      LEU  42  -6.362  -5.950  -4.372
  367   2HD2  LEU  42          HD22      LEU  42  -5.092  -6.033  -5.593
  368   3HD2  LEU  42          HD23      LEU  42  -5.306  -4.564  -4.641
  369    H    THR  43           HN       THR  43  -6.304  -0.585  -6.916
  370    HA   THR  43           HA       THR  43  -5.612   0.063  -9.486
  371    HB   THR  43           HB       THR  43  -5.802   2.120  -7.285
  372    HG1  THR  43           HG1      THR  43  -7.659   1.149  -6.911
  373   1HG2  THR  43          HG21      THR  43  -6.105   3.642  -8.909
  374   2HG2  THR  43          HG22      THR  43  -7.180   2.577  -9.820
  375   3HG2  THR  43          HG23      THR  43  -5.433   2.419  -9.992
  376    H    ALA  44           HN       ALA  44  -3.758   0.714  -6.546
  377    HA   ALA  44           HA       ALA  44  -1.825   2.357  -7.859
  378   1HB   ALA  44          HB1       ALA  44  -0.884   1.273  -5.375
  379   2HB   ALA  44          HB2       ALA  44  -1.330   2.932  -5.778
  380   3HB   ALA  44          HB3       ALA  44  -2.562   1.798  -5.223
  381    H    ILE  45           HN       ILE  45  -1.914  -1.016  -6.800
  382    HA   ILE  45           HA       ILE  45   0.872  -1.435  -7.397
  383    HB   ILE  45           HB       ILE  45  -0.438  -3.934  -7.147
  384   1HG1  ILE  45          HG12      ILE  45  -1.316  -1.931  -5.053
  385   2HG1  ILE  45          HG13      ILE  45  -2.366  -2.665  -6.255
  386   1HG2  ILE  45          HG21      ILE  45   1.780  -3.598  -6.388
  387   2HG2  ILE  45          HG22      ILE  45   1.289  -2.283  -5.319
  388   3HG2  ILE  45          HG23      ILE  45   0.808  -3.940  -4.956
  389   1HD1  ILE  45          HD11      ILE  45  -2.403  -3.626  -3.904
  390   2HD1  ILE  45          HD12      ILE  45  -2.249  -4.762  -5.244
  391   3HD1  ILE  45          HD13      ILE  45  -0.831  -4.322  -4.293
  392    H    GLY  46           HN       GLY  46  -2.113  -1.726  -9.091
  393   1HA   GLY  46          HA1       GLY  46  -2.520  -2.228 -11.302
  394   2HA   GLY  46          HA2       GLY  46  -0.781  -2.347 -11.544
  395    H    ARG  47           HN       ARG  47  -2.369  -4.198  -9.090
  396    HA   ARG  47           HA       ARG  47  -1.982  -6.643 -10.690
  397   1HB   ARG  47          HB2       ARG  47  -1.788  -6.305  -7.687
  398   2HB   ARG  47          HB3       ARG  47  -1.609  -7.824  -8.554
  399   1HG   ARG  47          HG2       ARG  47   0.250  -6.363  -9.822
  400   2HG   ARG  47          HG3       ARG  47   0.284  -5.587  -8.238
  401   1HD   ARG  47          HD2       ARG  47   0.289  -8.164  -7.483
  402   2HD   ARG  47          HD3       ARG  47   1.101  -8.311  -9.040
  403    HE   ARG  47           HE       ARG  47   2.050  -6.434  -6.980
  404   1HH1  ARG  47          HH12      ARG  47   2.655  -9.057  -9.233
  405   2HH1  ARG  47          HH11      ARG  47   4.359  -9.081  -8.923
  406   1HH2  ARG  47          HH22      ARG  47   4.289  -6.464  -6.592
  407   2HH2  ARG  47          HH21      ARG  47   5.297  -7.614  -7.432
  408    H    THR  48           HN       THR  48  -3.400  -8.496  -9.653
  409    HA   THR  48           HA       THR  48  -6.069  -7.353  -9.175
  410    HB   THR  48           HB       THR  48  -6.653  -9.779 -10.244
  411    HG1  THR  48           HG1      THR  48  -4.918 -10.470 -11.231
  412   1HG2  THR  48          HG21      THR  48  -6.298  -7.750 -12.315
  413   2HG2  THR  48          HG22      THR  48  -7.086  -7.133 -10.862
  414   3HG2  THR  48          HG23      THR  48  -7.772  -8.514 -11.718
  415    H    GLU  49           HN       GLU  49  -7.445  -9.649  -8.612
  416    HA   GLU  49           HA       GLU  49  -6.877  -9.801  -5.836
  417   1HB   GLU  49          HB2       GLU  49  -8.724 -11.796  -7.010
  418   2HB   GLU  49          HB3       GLU  49  -8.954 -10.716  -5.642
  419   1HG   GLU  49          HG2       GLU  49  -8.904  -8.947  -7.695
  420   2HG   GLU  49          HG3       GLU  49  -9.617 -10.355  -8.478
  421    H    GLU  50           HN       GLU  50  -5.965 -11.771  -8.518
  422    HA   GLU  50           HA       GLU  50  -5.288 -14.068  -6.866
  423   1HB   GLU  50          HB2       GLU  50  -4.226 -14.064  -9.585
  424   2HB   GLU  50          HB3       GLU  50  -5.215 -15.262  -8.764
  425   1HG   GLU  50          HG2       GLU  50  -6.477 -14.534 -10.579
  426   2HG   GLU  50          HG3       GLU  50  -7.175 -13.729  -9.181
  427    H    THR  51           HN       THR  51  -3.932 -11.147  -7.504
  428    HA   THR  51           HA       THR  51  -1.188 -12.188  -7.277
  429    HB   THR  51           HB       THR  51  -0.846  -9.784  -8.526
  430    HG1  THR  51           HG1      THR  51  -3.131 -10.998  -9.743
  431   1HG2  THR  51          HG21      THR  51   0.353 -11.570  -9.377
  432   2HG2  THR  51          HG22      THR  51  -0.811 -11.278 -10.670
  433   3HG2  THR  51          HG23      THR  51  -1.078 -12.590  -9.524
  434    H    VAL  52           HN       VAL  52  -3.177 -11.197  -5.268
  435    HA   VAL  52           HA       VAL  52  -1.537  -9.139  -4.025
  436    HB   VAL  52           HB       VAL  52  -3.353  -8.098  -5.539
  437   1HG1  VAL  52          HG11      VAL  52  -5.514  -7.787  -4.154
  438   2HG1  VAL  52          HG12      VAL  52  -5.299  -9.255  -5.107
  439   3HG1  VAL  52          HG13      VAL  52  -5.020  -9.283  -3.363
  440   1HG2  VAL  52          HG21      VAL  52  -2.089  -6.776  -3.978
  441   2HG2  VAL  52          HG22      VAL  52  -3.784  -6.288  -3.911
  442   3HG2  VAL  52          HG23      VAL  52  -3.109  -7.310  -2.641
  443    H    VAL  53           HN       VAL  53  -2.503  -8.561  -1.829
  444    HA   VAL  53           HA       VAL  53  -3.390  -9.023   0.184
  445    HB   VAL  53           HB       VAL  53  -4.784 -11.355  -1.138
  446   1HG1  VAL  53          HG11      VAL  53  -5.452 -11.991   0.882
  447   2HG1  VAL  53          HG12      VAL  53  -4.448 -10.736   1.605
  448   3HG1  VAL  53          HG13      VAL  53  -6.125 -10.388   1.182
  449   1HG2  VAL  53          HG21      VAL  53  -5.395  -8.479  -0.917
  450   2HG2  VAL  53          HG22      VAL  53  -5.914  -9.662  -2.120
  451   3HG2  VAL  53          HG23      VAL  53  -6.729  -9.575  -0.557
  452    H    SER  54           HN       SER  54  -2.823 -12.266  -1.208
  453    HA   SER  54           HA       SER  54  -2.025 -13.370   1.241
  454   1HB   SER  54          HB2       SER  54  -1.030 -14.618  -1.257
  455   2HB   SER  54          HB3       SER  54  -1.922 -15.333   0.088
  456    HG   SER  54           HG       SER  54  -3.814 -14.404  -0.704
  457    H    GLN  55           HN       GLN  55   0.102 -12.945  -1.602
  458    HA   GLN  55           HA       GLN  55   2.388 -13.044   0.222
  459   1HB   GLN  55          HB2       GLN  55   1.981 -14.451  -2.009
  460   2HB   GLN  55          HB3       GLN  55   2.741 -13.043  -2.733
  461   1HG   GLN  55          HG2       GLN  55   4.330 -13.725  -0.529
  462   2HG   GLN  55          HG3       GLN  55   3.934 -15.239  -1.341
  463   1HE2  GLN  55          HE21      GLN  55   5.029 -11.943  -2.048
  464   2HE2  GLN  55          HE22      GLN  55   6.107 -12.394  -3.324
  465    H    LEU  56           HN       LEU  56   0.575 -10.641  -0.608
  466    HA   LEU  56           HA       LEU  56   2.773  -8.878  -1.450
  467   1HB   LEU  56          HB2       LEU  56   0.267  -9.299  -2.664
  468   2HB   LEU  56          HB3       LEU  56   0.203  -7.705  -1.937
  469    HG   LEU  56           HG       LEU  56   2.440  -7.275  -3.136
  470   1HD1  LEU  56          HD11      LEU  56   1.469  -9.718  -4.607
  471   2HD1  LEU  56          HD12      LEU  56   2.690  -8.605  -5.224
  472   3HD1  LEU  56          HD13      LEU  56   2.999  -9.526  -3.751
  473   1HD2  LEU  56          HD21      LEU  56   0.901  -7.255  -5.406
  474   2HD2  LEU  56          HD22      LEU  56  -0.306  -7.243  -4.120
  475   3HD2  LEU  56          HD23      LEU  56   0.934  -5.990  -4.178
  476    H    ARG  57           HN       ARG  57   3.317  -7.293  -0.144
  477    HA   ARG  57           HA       ARG  57   1.335  -6.255   1.761
  478   1HB   ARG  57          HB2       ARG  57   4.192  -7.053   2.283
  479   2HB   ARG  57          HB3       ARG  57   3.414  -5.816   3.259
  480   1HG   ARG  57          HG2       ARG  57   1.630  -7.980   3.181
  481   2HG   ARG  57          HG3       ARG  57   3.232  -8.666   3.453
  482   1HD   ARG  57          HD2       ARG  57   3.129  -6.432   5.107
  483   2HD   ARG  57          HD3       ARG  57   1.531  -7.160   5.248
  484    HE   ARG  57           HE       ARG  57   3.119  -9.292   5.555
  485   1HH1  ARG  57          HH12      ARG  57   3.168  -6.123   7.092
  486   2HH1  ARG  57          HH11      ARG  57   3.932  -6.716   8.534
  487   1HH2  ARG  57          HH22      ARG  57   4.089 -10.041   7.457
  488   2HH2  ARG  57          HH21      ARG  57   4.437  -8.932   8.753
  489    H    ILE  58           HN       ILE  58   1.351  -4.021   1.972
  490    HA   ILE  58           HA       ILE  58   3.086  -2.620   0.039
  491    HB   ILE  58           HB       ILE  58   0.415  -1.729   1.149
  492   1HG1  ILE  58          HG12      ILE  58   0.132  -3.622  -0.357
  493   2HG1  ILE  58          HG13      ILE  58  -0.429  -2.150  -1.142
  494   1HG2  ILE  58          HG21      ILE  58   1.974  -0.521  -1.126
  495   2HG2  ILE  58          HG22      ILE  58   0.517   0.109  -0.358
  496   3HG2  ILE  58          HG23      ILE  58   2.039   0.081   0.531
  497   1HD1  ILE  58          HD11      ILE  58   1.690  -3.987  -1.908
  498   2HD1  ILE  58          HD12      ILE  58   0.795  -2.814  -2.876
  499   3HD1  ILE  58          HD13      ILE  58   2.192  -2.296  -1.934
  500    H    CYS  59           HN       CYS  59   4.484  -1.111   0.779
  501    HA   CYS  59           HA       CYS  59   4.668  -0.857   3.647
  502   1HB   CYS  59          HB2       CYS  59   6.886  -0.398   3.335
  503   2HB   CYS  59          HB3       CYS  59   6.515  -1.261   1.860
  504    H    SER  60           HN       SER  60   5.185   1.265   4.648
  505    HA   SER  60           HA       SER  60   2.849   2.830   4.306
  506   1HB   SER  60          HB2       SER  60   4.421   4.195   6.093
  507   2HB   SER  60          HB3       SER  60   3.319   2.883   6.501
  508    HG   SER  60           HG       SER  60   5.556   2.651   7.240
  509    H    ALA  61           HN       ALA  61   5.686   2.996   2.604
  510    HA   ALA  61           HA       ALA  61   6.017   5.871   2.589
  511   1HB   ALA  61          HB1       ALA  61   7.427   4.879   0.429
  512   2HB   ALA  61          HB2       ALA  61   8.062   5.176   2.047
  513   3HB   ALA  61          HB3       ALA  61   7.478   3.569   1.607
  514    H    HIS  62           HN       HIS  62   3.606   4.161   1.480
  515    HA   HIS  62           HA       HIS  62   3.394   5.546  -1.114
  516   1HB   HIS  62          HB2       HIS  62   2.099   2.954  -0.208
  517   2HB   HIS  62          HB3       HIS  62   1.885   3.705  -1.802
  518    HD1  HIS  62           HD1      HIS  62   3.973   3.396  -3.476
  519    HD2  HIS  62           HD2      HIS  62   4.355   1.719   0.305
  520    HE1  HIS  62           HE1      HIS  62   6.054   1.896  -3.536
  521    H    PHE  63           HN       PHE  63   2.612   6.264   1.765
  522    HA   PHE  63           HA       PHE  63  -0.199   6.928   1.169
  523   1HB   PHE  63          HB2       PHE  63   1.003   6.094   3.820
  524   2HB   PHE  63          HB3       PHE  63  -0.594   6.814   3.658
  525    HD1  PHE  63           HD1      PHE  63   1.445   3.949   2.451
  526    HD2  PHE  63           HD2      PHE  63  -2.436   5.449   3.351
  527    HE1  PHE  63           HE1      PHE  63   0.495   1.721   2.044
  528    HE2  PHE  63           HE2      PHE  63  -3.390   3.224   2.945
  529    HZ   PHE  63           HZ       PHE  63  -1.925   1.360   2.291
  530    H    GLU  64           HN       GLU  64  -0.776   9.030   1.486
  531    HA   GLU  64           HA       GLU  64   1.124  11.027   2.141
  532   1HB   GLU  64          HB2       GLU  64  -0.909  11.500   0.830
  533   2HB   GLU  64          HB3       GLU  64  -1.902  11.130   2.230
  534   1HG   GLU  64          HG2       GLU  64   0.025  13.122   2.926
  535   2HG   GLU  64          HG3       GLU  64  -0.843  13.609   1.471
  536    H    GLY  65           HN       GLY  65   1.890  11.574   4.101
  537   1HA   GLY  65          HA1       GLY  65   1.885  11.850   6.425
  538   2HA   GLY  65          HA2       GLY  65   0.311  11.065   6.498
  539    H    GLY  66           HN       GLY  66   0.496   8.664   5.595
  540   1HA   GLY  66          HA1       GLY  66   2.353   6.956   5.289
  541   2HA   GLY  66          HA2       GLY  66   2.849   7.453   6.897
  542    H    GLU  67           HN       GLU  67  -0.084   7.688   7.671
  543    HA   GLU  67           HA       GLU  67  -0.275   4.840   8.354
  544   1HB   GLU  67          HB2       GLU  67  -1.992   6.127  10.078
  545   2HB   GLU  67          HB3       GLU  67  -0.352   5.619  10.445
  546   1HG   GLU  67          HG2       GLU  67  -0.739   7.911  11.125
  547   2HG   GLU  67          HG3       GLU  67   0.477   7.826   9.853
  548    H    LYS  68           HN       LYS  68  -2.124   3.704   8.260
  549    HA   LYS  68           HA       LYS  68  -4.174   4.490   6.409
  550   1HB   LYS  68          HB2       LYS  68  -3.263   2.133   6.889
  551   2HB   LYS  68          HB3       LYS  68  -4.284   2.164   8.313
  552   1HG   LYS  68          HG2       LYS  68  -6.246   2.169   7.060
  553   2HG   LYS  68          HG3       LYS  68  -5.416   2.696   5.594
  554   1HD   LYS  68          HD2       LYS  68  -5.649   0.485   5.095
  555   2HD   LYS  68          HD3       LYS  68  -4.117   0.411   5.964
  556   1HE   LYS  68          HE2       LYS  68  -5.777  -1.332   6.643
  557   2HE   LYS  68          HE3       LYS  68  -5.200  -0.320   7.964
  558   1HZ   LYS  68          HZ1       LYS  68  -7.781  -0.841   7.469
  559   2HZ   LYS  68          HZ2       LYS  68  -7.600   0.633   6.657
  560   3HZ   LYS  68          HZ3       LYS  68  -7.233   0.528   8.311
  561    H    LYS  69           HN       LYS  69  -6.213   5.242   6.856
  562    HA   LYS  69           HA       LYS  69  -6.991   5.368   9.708
  563   1HB   LYS  69          HB2       LYS  69  -8.611   7.142   8.169
  564   2HB   LYS  69          HB3       LYS  69  -7.514   7.530   9.483
  565   1HG   LYS  69          HG2       LYS  69  -6.063   7.095   7.032
  566   2HG   LYS  69          HG3       LYS  69  -7.320   8.313   6.823
  567   1HD   LYS  69          HD2       LYS  69  -6.459   9.486   8.822
  568   2HD   LYS  69          HD3       LYS  69  -5.147   8.309   8.911
  569   1HE   LYS  69          HE2       LYS  69  -5.694  10.299   6.722
  570   2HE   LYS  69          HE3       LYS  69  -4.297  10.233   7.797
  571   1HZ   LYS  69          HZ1       LYS  69  -3.862   9.374   5.537
  572   2HZ   LYS  69          HZ2       LYS  69  -4.984   8.131   5.803
  573   3HZ   LYS  69          HZ3       LYS  69  -3.575   8.221   6.746
  574    H    GLU  70           HN       GLU  70  -8.089   5.024   6.390
  575    HA   GLU  70           HA       GLU  70  -9.367   2.649   6.571
  576   1HB   GLU  70          HB2       GLU  70 -10.965   4.577   7.937
  577   2HB   GLU  70          HB3       GLU  70 -11.802   4.128   6.456
  578   1HG   GLU  70          HG2       GLU  70 -11.632   2.701   8.898
  579   2HG   GLU  70          HG3       GLU  70 -12.514   2.277   7.432
  580    H    GLY  71           HN       GLY  71 -10.170   5.900   5.350
  581   1HA   GLY  71          HA1       GLY  71 -10.820   4.763   2.746
  582   2HA   GLY  71          HA2       GLY  71 -11.026   6.439   3.231
  583    H    ASP  72           HN       ASP  72  -8.152   4.349   3.298
  584    HA   ASP  72           HA       ASP  72  -6.805   6.336   1.586
  585   1HB   ASP  72          HB2       ASP  72  -5.287   4.519   3.425
  586   2HB   ASP  72          HB3       ASP  72  -4.819   6.089   2.787
  587    H    ILE  73           HN       ILE  73  -6.296   5.606  -0.355
  588    HA   ILE  73           HA       ILE  73  -5.569   2.775  -0.700
  589    HB   ILE  73           HB       ILE  73  -6.298   4.886  -2.752
  590   1HG1  ILE  73          HG12      ILE  73  -7.790   2.327  -2.335
  591   2HG1  ILE  73          HG13      ILE  73  -8.074   3.680  -1.244
  592   1HG2  ILE  73          HG21      ILE  73  -5.964   3.359  -4.479
  593   2HG2  ILE  73          HG22      ILE  73  -4.555   3.133  -3.442
  594   3HG2  ILE  73          HG23      ILE  73  -5.891   1.984  -3.377
  595   1HD1  ILE  73          HD11      ILE  73  -8.199   4.791  -3.782
  596   2HD1  ILE  73          HD12      ILE  73  -9.028   3.240  -3.923
  597   3HD1  ILE  73          HD13      ILE  73  -9.554   4.414  -2.716
  598    HA   PRO  74           HA       PRO  74  -1.348   4.134  -0.868
  599   1HB   PRO  74          HB2       PRO  74  -0.260   2.152  -2.384
  600   2HB   PRO  74          HB3       PRO  74  -0.690   1.944  -0.684
  601   1HG   PRO  74          HG2       PRO  74  -2.202   1.125  -3.132
  602   2HG   PRO  74          HG3       PRO  74  -1.954   0.237  -1.615
  603   1HD   PRO  74          HD2       PRO  74  -4.247   1.562  -2.176
  604   2HD   PRO  74          HD3       PRO  74  -3.627   1.389  -0.526
  605    H    VAL  75           HN       VAL  75   0.094   5.171  -2.301
  606    HA   VAL  75           HA       VAL  75  -0.796   5.297  -5.106
  607    HB   VAL  75           HB       VAL  75   0.600   7.597  -4.917
  608   1HG1  VAL  75          HG11      VAL  75  -1.908   6.939  -5.541
  609   2HG1  VAL  75          HG12      VAL  75  -2.221   7.812  -4.041
  610   3HG1  VAL  75          HG13      VAL  75  -1.375   8.609  -5.366
  611   1HG2  VAL  75          HG21      VAL  75   0.810   7.130  -2.399
  612   2HG2  VAL  75          HG22      VAL  75   0.295   8.741  -2.900
  613   3HG2  VAL  75          HG23      VAL  75  -0.894   7.578  -2.311
  614    HA   PRO  76           HA       PRO  76   3.136   3.808  -6.269
  615   1HB   PRO  76          HB2       PRO  76   3.664   5.177  -8.557
  616   2HB   PRO  76          HB3       PRO  76   2.450   3.900  -8.460
  617   1HG   PRO  76          HG2       PRO  76   2.086   6.868  -8.374
  618   2HG   PRO  76          HG3       PRO  76   1.125   5.648  -9.231
  619   1HD   PRO  76          HD2       PRO  76   0.337   6.752  -6.874
  620   2HD   PRO  76          HD3       PRO  76  -0.063   5.079  -7.338
  621    H    ASP  77           HN       ASP  77   2.725   7.223  -5.990
  622    HA   ASP  77           HA       ASP  77   5.200   7.661  -4.667
  623   1HB   ASP  77          HB2       ASP  77   5.896   7.521  -7.112
  624   2HB   ASP  77          HB3       ASP  77   4.934   8.967  -7.381
  625    HA   PRO  78           HA       PRO  78   1.691  10.329  -3.531
  626   1HB   PRO  78          HB2       PRO  78   2.594  10.853  -0.999
  627   2HB   PRO  78          HB3       PRO  78   1.682   9.406  -1.444
  628   1HG   PRO  78          HG2       PRO  78   4.629   9.750  -1.082
  629   2HG   PRO  78          HG3       PRO  78   3.588   8.406  -0.581
  630   1HD   PRO  78          HD2       PRO  78   5.156   8.285  -2.780
  631   2HD   PRO  78          HD3       PRO  78   3.590   7.456  -2.680
  632    H    THR  79           HN       THR  79   4.981  11.014  -3.905
  633    HA   THR  79           HA       THR  79   4.877  13.787  -3.160
  634    HB   THR  79           HB       THR  79   6.967  12.974  -5.057
  635    HG1  THR  79           HG1      THR  79   6.908  10.993  -4.099
  636   1HG2  THR  79          HG21      THR  79   6.742  14.381  -2.438
  637   2HG2  THR  79          HG22      THR  79   7.466  14.928  -3.951
  638   3HG2  THR  79          HG23      THR  79   8.310  13.753  -2.943
  639    H    VAL  80           HN       VAL  80   4.642  11.903  -6.142
  640    HA   VAL  80           HA       VAL  80   4.259  14.387  -7.660
  641    HB   VAL  80           HB       VAL  80   4.590  12.981  -9.685
  642   1HG1  VAL  80          HG11      VAL  80   6.423  14.183  -8.239
  643   2HG1  VAL  80          HG12      VAL  80   6.966  12.527  -7.951
  644   3HG1  VAL  80          HG13      VAL  80   6.879  13.152  -9.597
  645   1HG2  VAL  80          HG21      VAL  80   4.129  10.796  -9.264
  646   2HG2  VAL  80          HG22      VAL  80   5.878  10.762  -9.023
  647   3HG2  VAL  80          HG23      VAL  80   4.798  10.860  -7.633
  648    H    ASP  81           HN       ASP  81   2.826  11.182  -7.175
  649    HA   ASP  81           HA       ASP  81   0.506  11.860  -8.751
  650   1HB   ASP  81          HB2       ASP  81   1.654   9.486  -8.264
  651   2HB   ASP  81          HB3       ASP  81   0.461   9.474  -6.966
  652    H    LYS  82           HN       LYS  82  -1.672  11.575  -7.831
  653    HA   LYS  82           HA       LYS  82  -1.814  13.070  -5.327
  654   1HB   LYS  82          HB2       LYS  82  -4.022  12.409  -7.286
  655   2HB   LYS  82          HB3       LYS  82  -4.129  13.521  -5.927
  656   1HG   LYS  82          HG2       LYS  82  -2.261  14.829  -7.066
  657   2HG   LYS  82          HG3       LYS  82  -2.611  13.848  -8.491
  658   1HD   LYS  82          HD2       LYS  82  -4.863  15.213  -7.096
  659   2HD   LYS  82          HD3       LYS  82  -3.790  16.173  -8.117
  660   1HE   LYS  82          HE2       LYS  82  -4.718  15.379  -9.975
  661   2HE   LYS  82          HE3       LYS  82  -4.566  13.714  -9.416
  662   1HZ   LYS  82          HZ1       LYS  82  -6.680  15.406  -8.285
  663   2HZ   LYS  82          HZ2       LYS  82  -6.651  13.726  -8.523
  664   3HZ   LYS  82          HZ3       LYS  82  -6.892  14.763  -9.841
  665    H    GLN  83           HN       GLN  83  -1.588  11.665  -3.715
  666    HA   GLN  83           HA       GLN  83  -2.265   9.233  -3.068
  667   1HB   GLN  83          HB2       GLN  83  -1.606  10.479  -1.244
  668   2HB   GLN  83          HB3       GLN  83  -2.727  11.785  -1.596
  669   1HG   GLN  83          HG2       GLN  83  -3.538  10.837   0.363
  670   2HG   GLN  83          HG3       GLN  83  -4.568  10.164  -0.899
  671   1HE2  GLN  83          HE21      GLN  83  -4.952   8.097  -0.697
  672   2HE2  GLN  83          HE22      GLN  83  -3.899   6.918   0.001
  673    H    ILE  84           HN       ILE  84  -3.861   7.915  -3.639
  674    HA   ILE  84           HA       ILE  84  -6.433   8.952  -4.349
  675    HB   ILE  84           HB       ILE  84  -5.772   6.025  -4.102
  676   1HG1  ILE  84          HG12      ILE  84  -5.559   7.168  -6.792
  677   2HG1  ILE  84          HG13      ILE  84  -4.315   7.756  -5.689
  678   1HG2  ILE  84          HG21      ILE  84  -7.444   6.913  -6.308
  679   2HG2  ILE  84          HG22      ILE  84  -7.739   5.671  -5.090
  680   3HG2  ILE  84          HG23      ILE  84  -8.099   7.360  -4.732
  681   1HD1  ILE  84          HD11      ILE  84  -3.242   5.798  -5.690
  682   2HD1  ILE  84          HD12      ILE  84  -4.738   4.868  -5.581
  683   3HD1  ILE  84          HD13      ILE  84  -4.182   5.465  -7.145
  684    H    LYS  85           HN       LYS  85  -7.552   9.664  -2.595
  685    HA   LYS  85           HA       LYS  85  -7.900   7.757  -0.381
  686   1HB   LYS  85          HB2       LYS  85  -8.547   9.703   1.000
  687   2HB   LYS  85          HB3       LYS  85  -6.909   9.834   0.378
  688   1HG   LYS  85          HG2       LYS  85  -7.373  11.677  -0.811
  689   2HG   LYS  85          HG3       LYS  85  -8.960  11.080  -1.305
  690   1HD   LYS  85          HD2       LYS  85  -8.653  11.765   1.551
  691   2HD   LYS  85          HD3       LYS  85  -8.604  13.117   0.416
  692   1HE   LYS  85          HE2       LYS  85 -10.757  11.077   0.129
  693   2HE   LYS  85          HE3       LYS  85 -10.879  12.259   1.430
  694   1HZ   LYS  85          HZ1       LYS  85 -10.593  14.015  -0.279
  695   2HZ   LYS  85          HZ2       LYS  85 -12.016  13.105  -0.465
  696   3HZ   LYS  85          HZ3       LYS  85 -10.689  12.817  -1.478
  697    H    ILE  86           HN       ILE  86  -9.978   7.396   0.440
  698    HA   ILE  86           HA       ILE  86 -12.099   7.952  -1.527
  699    HB   ILE  86           HB       ILE  86 -12.257   5.838   0.609
  700   1HG1  ILE  86          HG12      ILE  86 -11.405   5.250  -2.215
  701   2HG1  ILE  86          HG13      ILE  86 -10.221   5.589  -0.956
  702   1HG2  ILE  86          HG21      ILE  86 -14.214   5.302  -0.313
  703   2HG2  ILE  86          HG22      ILE  86 -14.105   6.845  -1.164
  704   3HG2  ILE  86          HG23      ILE  86 -13.555   5.361  -1.947
  705   1HD1  ILE  86          HD11      ILE  86 -10.268   3.402  -0.546
  706   2HD1  ILE  86          HD12      ILE  86 -11.841   3.688   0.201
  707   3HD1  ILE  86          HD13      ILE  86 -11.744   3.177  -1.485
  708    H    GLU  87           HN       GLU  87 -13.856   9.070  -0.923
  709    HA   GLU  87           HA       GLU  87 -14.142   9.963   1.813
  710   1HB   GLU  87          HB2       GLU  87 -16.540  10.533   0.448
  711   2HB   GLU  87          HB3       GLU  87 -15.243  11.653   0.821
  712   1HG   GLU  87          HG2       GLU  87 -15.317   9.994  -1.688
  713   2HG   GLU  87          HG3       GLU  87 -16.013  11.603  -1.562
  714    H    LEU  88           HN       LEU  88 -14.704   8.402   3.191
  715    HA   LEU  88           HA       LEU  88 -16.111   6.083   2.246
  716   1HB   LEU  88          HB2       LEU  88 -14.156   6.402   4.035
  717   2HB   LEU  88          HB3       LEU  88 -15.527   6.453   5.128
  718    HG   LEU  88           HG       LEU  88 -16.219   4.254   3.846
  719   1HD1  LEU  88          HD11      LEU  88 -14.399   4.359   2.215
  720   2HD1  LEU  88          HD12      LEU  88 -13.218   4.298   3.523
  721   3HD1  LEU  88          HD13      LEU  88 -14.272   2.917   3.222
  722   1HD2  LEU  88          HD21      LEU  88 -15.272   4.801   6.302
  723   2HD2  LEU  88          HD22      LEU  88 -15.634   3.168   5.741
  724   3HD2  LEU  88          HD23      LEU  88 -13.976   3.767   5.702
  725    HA   PRO  89           HA       PRO  89 -20.086   7.420   3.868
  726   1HB   PRO  89          HB2       PRO  89 -21.195   5.059   2.663
  727   2HB   PRO  89          HB3       PRO  89 -21.358   6.729   2.123
  728   1HG   PRO  89          HG2       PRO  89 -19.991   4.770   0.752
  729   2HG   PRO  89          HG3       PRO  89 -19.705   6.509   0.570
  730   1HD   PRO  89          HD2       PRO  89 -18.175   4.489   2.162
  731   2HD   PRO  89          HD3       PRO  89 -17.575   5.863   1.204
  732    HA   PRO  90           HA       PRO  90 -20.426   4.901   7.509
  733   1HB   PRO  90          HB2       PRO  90 -23.358   4.861   6.982
  734   2HB   PRO  90          HB3       PRO  90 -22.481   5.332   8.442
  735   1HG   PRO  90          HG2       PRO  90 -23.553   7.178   6.855
  736   2HG   PRO  90          HG3       PRO  90 -21.971   7.441   7.613
  737   1HD   PRO  90          HD2       PRO  90 -22.625   6.701   4.792
  738   2HD   PRO  90          HD3       PRO  90 -21.351   7.771   5.412
  739    H    LYS  91           HN       LYS  91 -22.352   3.947   4.702
  740    HA   LYS  91           HA       LYS  91 -21.381   1.257   4.841
  741   1HB   LYS  91          HB2       LYS  91 -23.625   0.199   4.952
  742   2HB   LYS  91          HB3       LYS  91 -23.214   1.045   6.436
  743   1HG   LYS  91          HG2       LYS  91 -25.252   1.932   6.266
  744   2HG   LYS  91          HG3       LYS  91 -24.533   2.982   5.043
  745   1HD   LYS  91          HD2       LYS  91 -25.116   0.817   3.540
  746   2HD   LYS  91          HD3       LYS  91 -26.398   0.713   4.746
  747   1HE   LYS  91          HE2       LYS  91 -26.990   2.015   2.691
  748   2HE   LYS  91          HE3       LYS  91 -27.195   2.889   4.207
  749   1HZ   LYS  91          HZ1       LYS  91 -25.888   3.840   2.066
  750   2HZ   LYS  91          HZ2       LYS  91 -24.598   3.210   2.968
  751   3HZ   LYS  91          HZ3       LYS  91 -25.626   4.369   3.658
  Start of MODEL    5
    1   1H    GLY   1          H1        GLY   1  19.334  -7.469   8.423
    2   2H    GLY   1          H2        GLY   1  20.999  -7.192   8.259
    3   3H    GLY   1          H3        GLY   1  19.986  -7.098   6.900
    4   1HA   GLY   1          HA2       GLY   1  20.798  -4.976   8.304
    5   2HA   GLY   1          HA1       GLY   1  19.321  -5.020   7.351
    6    H    SER   2           HN       SER   2  17.478  -4.594   8.362
    7    HA   SER   2           HA       SER   2  17.342  -5.047  11.273
    8   1HB   SER   2          HB2       SER   2  15.447  -3.060  10.503
    9   2HB   SER   2          HB3       SER   2  16.850  -2.873  11.555
   10    HG   SER   2           HG       SER   2  17.966  -2.019   9.962
   11    H    MET   3           HN       MET   3  15.397  -4.623   8.324
   12    HA   MET   3           HA       MET   3  13.807  -6.947   9.004
   13   1HB   MET   3          HB2       MET   3  12.660  -5.116  10.203
   14   2HB   MET   3          HB3       MET   3  12.506  -4.233   8.691
   15   1HG   MET   3          HG2       MET   3  10.707  -5.388   8.082
   16   2HG   MET   3          HG3       MET   3  11.446  -6.927   8.517
   17   1HE   MET   3          HE1       MET   3   8.388  -7.541   9.885
   18   2HE   MET   3          HE2       MET   3   9.924  -8.142   9.258
   19   3HE   MET   3          HE3       MET   3   9.582  -8.227  10.986
   20    HA   PRO   4           HA       PRO   4  14.039  -6.984   4.533
   21   1HB   PRO   4          HB2       PRO   4  12.979  -9.434   4.172
   22   2HB   PRO   4          HB3       PRO   4  14.618  -9.204   4.794
   23   1HG   PRO   4          HG2       PRO   4  12.098  -9.830   6.278
   24   2HG   PRO   4          HG3       PRO   4  13.727 -10.492   6.508
   25   1HD   PRO   4          HD2       PRO   4  12.646  -8.511   8.062
   26   2HD   PRO   4          HD3       PRO   4  14.388  -8.729   7.805
   27    H    THR   5           HN       THR   5  11.483  -9.098   4.314
   28    HA   THR   5           HA       THR   5   9.340  -9.009   3.634
   29    HB   THR   5           HB       THR   5   8.803  -6.211   4.432
   30    HG1  THR   5           HG1      THR   5  10.175  -6.752   6.114
   31   1HG2  THR   5          HG21      THR   5   6.965  -7.594   3.795
   32   2HG2  THR   5          HG22      THR   5   6.873  -7.386   5.544
   33   3HG2  THR   5          HG23      THR   5   7.491  -8.892   4.867
   34    H    THR   6           HN       THR   6   9.494  -9.101   1.504
   35    HA   THR   6           HA       THR   6  10.336  -7.000  -0.196
   36    HB   THR   6           HB       THR   6   8.529  -9.243  -1.063
   37    HG1  THR   6           HG1      THR   6  11.111  -9.373  -0.011
   38   1HG2  THR   6          HG21      THR   6   9.417  -7.370  -2.607
   39   2HG2  THR   6          HG22      THR   6   9.568  -9.044  -3.144
   40   3HG2  THR   6          HG23      THR   6  10.965  -8.204  -2.471
   41    H    CYS   7           HN       CYS   7   9.227  -5.396  -1.167
   42    HA   CYS   7           HA       CYS   7   6.592  -4.705  -0.391
   43   1HB   CYS   7          HB2       CYS   7   8.392  -3.107  -1.146
   44   2HB   CYS   7          HB3       CYS   7   8.152  -3.700  -2.784
   45    H    GLY   8           HN       GLY   8   4.703  -4.682  -1.673
   46   1HA   GLY   8          HA1       GLY   8   4.643  -6.785  -3.721
   47   2HA   GLY   8          HA2       GLY   8   3.243  -6.108  -2.895
   48    H    PHE   9           HN       PHE   9   5.111  -3.547  -3.594
   49    HA   PHE   9           HA       PHE   9   3.333  -2.687  -5.686
   50   1HB   PHE   9          HB2       PHE   9   4.899  -1.463  -3.699
   51   2HB   PHE   9          HB3       PHE   9   5.571  -0.919  -5.231
   52    HD1  PHE   9           HD1      PHE   9   2.443  -1.150  -3.273
   53    HD2  PHE   9           HD2      PHE   9   4.494   0.708  -6.498
   54    HE1  PHE   9           HE1      PHE   9   0.618   0.480  -3.482
   55    HE2  PHE   9           HE2      PHE   9   2.682   2.350  -6.712
   56    HZ   PHE   9           HZ       PHE   9   0.745   2.246  -5.206
   57    HA   PRO  10           HA       PRO  10   6.025  -3.511  -9.176
   58   1HB   PRO  10          HB2       PRO  10   5.145  -1.527 -10.832
   59   2HB   PRO  10          HB3       PRO  10   4.278  -3.047 -10.583
   60   1HG   PRO  10          HG2       PRO  10   3.791  -0.363  -9.362
   61   2HG   PRO  10          HG3       PRO  10   2.621  -1.552  -9.961
   62   1HD   PRO  10          HD2       PRO  10   3.164  -1.246  -7.326
   63   2HD   PRO  10          HD3       PRO  10   2.726  -2.814  -8.032
   64    H    ASN  11           HN       ASN  11   7.856  -2.856  -7.912
   65    HA   ASN  11           HA       ASN  11   9.870  -1.812  -7.843
   66   1HB   ASN  11          HB2       ASN  11   9.512  -1.054 -10.192
   67   2HB   ASN  11          HB3       ASN  11   8.727   0.392  -9.566
   68   1HD2  ASN  11          HD21      ASN  11  10.031   2.085  -9.647
   69   2HD2  ASN  11          HD22      ASN  11  11.734   2.070  -9.335
   70    H    CYS  12           HN       CYS  12   9.716  -1.494  -5.692
   71    HA   CYS  12           HA       CYS  12   8.437   0.820  -4.565
   72   1HB   CYS  12          HB2       CYS  12   8.759  -1.415  -3.389
   73   2HB   CYS  12          HB3       CYS  12  10.464  -1.002  -3.246
   74    H    LYS  13           HN       LYS  13   9.405   2.512  -5.718
   75    HA   LYS  13           HA       LYS  13  12.222   2.891  -5.857
   76   1HB   LYS  13          HB2       LYS  13  11.565   5.254  -6.528
   77   2HB   LYS  13          HB3       LYS  13  10.934   3.959  -7.535
   78   1HG   LYS  13          HG2       LYS  13   8.845   4.596  -7.155
   79   2HG   LYS  13          HG3       LYS  13   9.095   4.553  -5.408
   80   1HD   LYS  13          HD2       LYS  13   8.508   6.779  -5.871
   81   2HD   LYS  13          HD3       LYS  13  10.265   6.806  -5.691
   82   1HE   LYS  13          HE2       LYS  13  10.616   7.037  -7.985
   83   2HE   LYS  13          HE3       LYS  13   9.000   6.458  -8.387
   84   1HZ   LYS  13          HZ1       LYS  13   8.539   8.687  -6.887
   85   2HZ   LYS  13          HZ2       LYS  13   8.476   8.595  -8.584
   86   3HZ   LYS  13          HZ3       LYS  13   9.896   9.119  -7.815
   87    H    PHE  14           HN       PHE  14  10.135   3.124  -3.299
   88    HA   PHE  14           HA       PHE  14  11.131   5.484  -2.042
   89   1HB   PHE  14          HB2       PHE  14   9.243   3.309  -1.350
   90   2HB   PHE  14          HB3       PHE  14  10.017   4.128   0.006
   91    HD1  PHE  14           HD1      PHE  14   9.757   6.579   0.270
   92    HD2  PHE  14           HD2      PHE  14   7.552   4.368  -2.619
   93    HE1  PHE  14           HE1      PHE  14   8.175   8.447   0.057
   94    HE2  PHE  14           HE2      PHE  14   5.963   6.236  -2.838
   95    HZ   PHE  14           HZ       PHE  14   6.276   8.275  -1.499
   96    H    ARG  15           HN       ARG  15  11.732   2.006  -1.630
   97    HA   ARG  15           HA       ARG  15  13.601   2.408   0.484
   98   1HB   ARG  15          HB2       ARG  15  14.243   0.004  -0.000
   99   2HB   ARG  15          HB3       ARG  15  12.572   0.293   0.454
  100   1HG   ARG  15          HG2       ARG  15  12.016   0.253  -2.002
  101   2HG   ARG  15          HG3       ARG  15  13.663  -0.318  -2.277
  102   1HD   ARG  15          HD2       ARG  15  12.296  -2.249  -2.176
  103   2HD   ARG  15          HD3       ARG  15  13.165  -2.176  -0.644
  104    HE   ARG  15           HE       ARG  15  10.441  -1.088  -0.818
  105   1HH1  ARG  15          HH12      ARG  15  12.705  -3.458   0.476
  106   2HH1  ARG  15          HH11      ARG  15  11.582  -4.065   1.653
  107   1HH2  ARG  15          HH22      ARG  15   8.981  -1.883   0.781
  108   2HH2  ARG  15          HH21      ARG  15   9.479  -3.181   1.816
  109    H    SER  16           HN       SER  16  13.808   2.514  -2.951
  110    HA   SER  16           HA       SER  16  16.672   2.186  -3.036
  111   1HB   SER  16          HB2       SER  16  14.941   3.237  -5.270
  112   2HB   SER  16          HB3       SER  16  16.479   2.381  -5.388
  113    HG   SER  16           HG       SER  16  15.085   0.673  -4.158
  114    H    ARG  17           HN       ARG  17  14.688   4.668  -2.097
  115    HA   ARG  17           HA       ARG  17  16.374   6.791  -3.155
  116   1HB   ARG  17          HB2       ARG  17  14.665   8.214  -2.723
  117   2HB   ARG  17          HB3       ARG  17  13.724   6.733  -2.692
  118   1HG   ARG  17          HG2       ARG  17  14.173   6.724  -0.167
  119   2HG   ARG  17          HG3       ARG  17  14.667   8.405  -0.393
  120   1HD   ARG  17          HD2       ARG  17  12.525   8.991  -1.262
  121   2HD   ARG  17          HD3       ARG  17  12.025   7.304  -1.316
  122    HE   ARG  17           HE       ARG  17  12.422   7.546   1.266
  123   1HH1  ARG  17          HH12      ARG  17  10.989   9.872  -0.918
  124   2HH1  ARG  17          HH11      ARG  17   9.919  10.532   0.286
  125   1HH2  ARG  17          HH22      ARG  17  11.003   8.387   2.851
  126   2HH2  ARG  17          HH21      ARG  17   9.904   9.668   2.420
  127    H    TYR  18           HN       TYR  18  16.455   4.679  -0.629
  128    HA   TYR  18           HA       TYR  18  17.848   6.551   1.147
  129   1HB   TYR  18          HB2       TYR  18  16.644   3.820   1.615
  130   2HB   TYR  18          HB3       TYR  18  17.686   4.615   2.791
  131    HD1  TYR  18           HD1      TYR  18  14.371   4.481   1.336
  132    HD2  TYR  18           HD2      TYR  18  16.953   6.752   3.839
  133    HE1  TYR  18           HE1      TYR  18  12.433   5.721   2.194
  134    HE2  TYR  18           HE2      TYR  18  15.020   8.009   4.704
  135    HH   TYR  18           HH       TYR  18  12.565   7.714   4.933
  136    H    ARG  19           HN       ARG  19  19.464   4.602   2.477
  137    HA   ARG  19           HA       ARG  19  21.387   4.088   0.293
  138   1HB   ARG  19          HB2       ARG  19  22.708   4.209   2.827
  139   2HB   ARG  19          HB3       ARG  19  22.940   5.225   1.414
  140   1HG   ARG  19          HG2       ARG  19  20.634   5.787   3.205
  141   2HG   ARG  19          HG3       ARG  19  22.256   6.241   3.734
  142   1HD   ARG  19          HD2       ARG  19  21.067   7.027   1.080
  143   2HD   ARG  19          HD3       ARG  19  21.002   8.039   2.523
  144    HE   ARG  19           HE       ARG  19  23.668   7.252   1.952
  145   1HH1  ARG  19          HH12      ARG  19  21.152   9.449   0.921
  146   2HH1  ARG  19          HH11      ARG  19  22.259  10.631   0.292
  147   1HH2  ARG  19          HH22      ARG  19  25.126   8.787   1.112
  148   2HH2  ARG  19          HH21      ARG  19  24.517  10.242   0.374
  149    H    GLY  20           HN       GLY  20  20.154   1.998   0.207
  150   1HA   GLY  20          HA1       GLY  20  20.457  -0.295   0.422
  151   2HA   GLY  20          HA2       GLY  20  21.647   0.005   1.680
  152    H    LEU  21           HN       LEU  21  20.260   1.382   3.542
  153    HA   LEU  21           HA       LEU  21  18.588  -0.554   4.767
  154   1HB   LEU  21          HB2       LEU  21  18.690   2.334   5.580
  155   2HB   LEU  21          HB3       LEU  21  18.441   0.923   6.589
  156    HG   LEU  21           HG       LEU  21  21.064   1.546   5.232
  157   1HD1  LEU  21          HD11      LEU  21  20.388   2.032   8.124
  158   2HD1  LEU  21          HD12      LEU  21  21.841   2.510   7.247
  159   3HD1  LEU  21          HD13      LEU  21  20.301   3.292   6.890
  160   1HD2  LEU  21          HD21      LEU  21  20.240  -0.818   6.190
  161   2HD2  LEU  21          HD22      LEU  21  21.917  -0.277   6.265
  162   3HD2  LEU  21          HD23      LEU  21  20.871  -0.106   7.675
  163    H    GLU  22           HN       GLU  22  17.020  -0.953   3.348
  164    HA   GLU  22           HA       GLU  22  15.389   0.851   2.015
  165   1HB   GLU  22          HB2       GLU  22  13.785  -1.109   1.813
  166   2HB   GLU  22          HB3       GLU  22  15.402  -1.321   1.175
  167   1HG   GLU  22          HG2       GLU  22  15.830  -2.396   3.551
  168   2HG   GLU  22          HG3       GLU  22  14.087  -2.625   3.494
  169    H    ASP  23           HN       ASP  23  15.240   2.227   4.095
  170    HA   ASP  23           HA       ASP  23  13.653   3.607   4.941
  171   1HB   ASP  23          HB2       ASP  23  12.200   2.391   3.080
  172   2HB   ASP  23          HB3       ASP  23  11.384   1.739   4.498
  173    H    ASN  24           HN       ASN  24  12.911   0.218   5.748
  174    HA   ASN  24           HA       ASN  24  12.328  -0.796   7.699
  175   1HB   ASN  24          HB2       ASN  24  14.468   0.441   8.464
  176   2HB   ASN  24          HB3       ASN  24  13.369   1.579   9.235
  177   1HD2  ASN  24          HD21      ASN  24  15.195   0.185  10.687
  178   2HD2  ASN  24          HD22      ASN  24  14.387  -0.968  11.696
  179    H    ARG  25           HN       ARG  25  10.426   0.509   6.358
  180    HA   ARG  25           HA       ARG  25   8.867   2.174   8.144
  181   1HB   ARG  25          HB2       ARG  25   9.094   2.212   5.487
  182   2HB   ARG  25          HB3       ARG  25   7.756   1.078   5.599
  183   1HG   ARG  25          HG2       ARG  25   6.423   2.849   5.654
  184   2HG   ARG  25          HG3       ARG  25   7.013   3.130   7.293
  185   1HD   ARG  25          HD2       ARG  25   8.286   4.246   4.798
  186   2HD   ARG  25          HD3       ARG  25   7.145   5.123   5.815
  187    HE   ARG  25           HE       ARG  25   9.931   4.661   6.316
  188   1HH1  ARG  25          HH12      ARG  25   6.822   5.353   7.806
  189   2HH1  ARG  25          HH11      ARG  25   7.513   5.910   9.300
  190   1HH2  ARG  25          HH22      ARG  25  10.841   5.399   8.271
  191   2HH2  ARG  25          HH21      ARG  25   9.811   5.925   9.573
  192    H    HIS  26           HN       HIS  26   6.340   1.470   7.944
  193    HA   HIS  26           HA       HIS  26   6.196  -1.154   9.196
  194   1HB   HIS  26          HB2       HIS  26   4.985   1.113   9.909
  195   2HB   HIS  26          HB3       HIS  26   3.781   0.540   8.759
  196    HD2  HIS  26           HD2      HIS  26   3.352   0.667  12.088
  197    HE1  HIS  26           HE1      HIS  26   3.145  -3.526  11.569
  198    HE2  HIS  26           HE2      HIS  26   2.416  -1.574  13.008
  199    H    PHE  27           HN       PHE  27   5.406  -2.904   8.201
  200    HA   PHE  27           HA       PHE  27   4.583  -2.597   5.417
  201   1HB   PHE  27          HB2       PHE  27   5.540  -4.975   7.010
  202   2HB   PHE  27          HB3       PHE  27   4.876  -5.125   5.385
  203    HD1  PHE  27           HD1      PHE  27   6.043  -4.100   3.475
  204    HD2  PHE  27           HD2      PHE  27   7.737  -4.140   7.380
  205    HE1  PHE  27           HE1      PHE  27   8.247  -3.577   2.523
  206    HE2  PHE  27           HE2      PHE  27   9.946  -3.616   6.432
  207    HZ   PHE  27           HZ       PHE  27  10.204  -3.333   3.998
  208    H    TYR  28           HN       TYR  28   2.524  -2.290   5.155
  209    HA   TYR  28           HA       TYR  28   0.583  -3.196   7.085
  210   1HB   TYR  28          HB2       TYR  28   0.483  -1.526   4.593
  211   2HB   TYR  28          HB3       TYR  28  -1.000  -2.111   5.332
  212    HD1  TYR  28           HD1      TYR  28  -0.135  -1.831   8.238
  213    HD2  TYR  28           HD2      TYR  28   0.213   0.765   4.887
  214    HE1  TYR  28           HE1      TYR  28  -0.137   0.110   9.750
  215    HE2  TYR  28           HE2      TYR  28   0.216   2.712   6.386
  216    HH   TYR  28           HH       TYR  28   0.557   3.334   8.617
  217    H    ARG  29           HN       ARG  29  -0.926  -4.761   6.833
  218    HA   ARG  29           HA       ARG  29  -0.762  -6.582   4.596
  219   1HB   ARG  29          HB2       ARG  29  -1.570  -6.865   7.185
  220   2HB   ARG  29          HB3       ARG  29  -3.122  -6.685   6.377
  221   1HG   ARG  29          HG2       ARG  29  -2.557  -9.018   6.582
  222   2HG   ARG  29          HG3       ARG  29  -2.542  -8.544   4.883
  223   1HD   ARG  29          HD2       ARG  29  -0.550  -9.591   4.858
  224   2HD   ARG  29          HD3       ARG  29   0.036  -8.083   5.557
  225    HE   ARG  29           HE       ARG  29   0.188  -9.116   7.647
  226   1HH1  ARG  29          HH12      ARG  29  -1.031 -11.300   5.188
  227   2HH1  ARG  29          HH11      ARG  29  -0.787 -12.730   6.150
  228   1HH2  ARG  29          HH22      ARG  29   0.529 -10.988   8.917
  229   2HH2  ARG  29          HH21      ARG  29   0.096 -12.553   8.281
  230    H    ILE  30           HN       ILE  30  -2.801  -7.095   3.339
  231    HA   ILE  30           HA       ILE  30  -3.852  -4.603   2.299
  232    HB   ILE  30           HB       ILE  30  -4.505  -7.387   1.334
  233   1HG1  ILE  30          HG12      ILE  30  -2.520  -5.810  -0.166
  234   2HG1  ILE  30          HG13      ILE  30  -1.973  -6.344   1.420
  235   1HG2  ILE  30          HG21      ILE  30  -4.492  -4.805  -0.214
  236   2HG2  ILE  30          HG22      ILE  30  -5.188  -6.356  -0.684
  237   3HG2  ILE  30          HG23      ILE  30  -5.920  -5.419   0.618
  238   1HD1  ILE  30          HD11      ILE  30  -2.926  -8.048  -0.861
  239   2HD1  ILE  30          HD12      ILE  30  -1.309  -7.976  -0.159
  240   3HD1  ILE  30          HD13      ILE  30  -2.642  -8.661   0.768
  241    HA   PRO  31           HA       PRO  31  -7.521  -4.991   4.907
  242   1HB   PRO  31          HB2       PRO  31  -8.157  -2.492   3.438
  243   2HB   PRO  31          HB3       PRO  31  -8.110  -2.791   5.183
  244   1HG   PRO  31          HG2       PRO  31  -6.193  -1.357   4.030
  245   2HG   PRO  31          HG3       PRO  31  -5.793  -2.549   5.288
  246   1HD   PRO  31          HD2       PRO  31  -5.582  -2.826   2.305
  247   2HD   PRO  31          HD3       PRO  31  -4.398  -3.256   3.559
  248    H    LYS  32           HN       LYS  32  -9.503  -5.813   4.461
  249    HA   LYS  32           HA       LYS  32 -10.325  -5.871   1.632
  250   1HB   LYS  32          HB2       LYS  32 -11.508  -8.059   2.322
  251   2HB   LYS  32          HB3       LYS  32  -9.769  -8.099   2.069
  252   1HG   LYS  32          HG2       LYS  32  -9.443  -7.913   4.508
  253   2HG   LYS  32          HG3       LYS  32 -11.196  -7.969   4.718
  254   1HD   LYS  32          HD2       LYS  32 -10.601 -10.182   5.039
  255   2HD   LYS  32          HD3       LYS  32 -11.022 -10.159   3.324
  256   1HE   LYS  32          HE2       LYS  32  -9.017 -11.033   2.926
  257   2HE   LYS  32          HE3       LYS  32  -8.336  -9.474   3.387
  258   1HZ   LYS  32          HZ1       LYS  32  -8.351 -10.331   5.726
  259   2HZ   LYS  32          HZ2       LYS  32  -7.258 -11.099   4.680
  260   3HZ   LYS  32          HZ3       LYS  32  -8.716 -11.862   5.094
  261    H    ARG  33           HN       ARG  33 -10.945  -4.262   4.175
  262    HA   ARG  33           HA       ARG  33 -13.806  -4.075   3.640
  263   1HB   ARG  33          HB2       ARG  33 -12.877  -5.396   5.896
  264   2HB   ARG  33          HB3       ARG  33 -13.203  -3.773   6.486
  265   1HG   ARG  33          HG2       ARG  33 -15.204  -5.401   4.944
  266   2HG   ARG  33          HG3       ARG  33 -15.091  -5.401   6.704
  267   1HD   ARG  33          HD2       ARG  33 -15.127  -2.716   6.038
  268   2HD   ARG  33          HD3       ARG  33 -16.271  -3.442   4.914
  269    HE   ARG  33           HE       ARG  33 -17.604  -4.118   6.725
  270   1HH1  ARG  33          HH12      ARG  33 -14.787  -2.281   7.760
  271   2HH1  ARG  33          HH11      ARG  33 -15.488  -1.843   9.288
  272   1HH2  ARG  33          HH22      ARG  33 -18.489  -3.592   8.735
  273   2HH2  ARG  33          HH21      ARG  33 -17.577  -2.641   9.872
  274    HA   PRO  34           HA       PRO  34 -15.244  -2.722   3.357
  275   1HB   PRO  34          HB2       PRO  34 -15.233  -0.465   1.522
  276   2HB   PRO  34          HB3       PRO  34 -16.416  -0.883   2.764
  277   1HG   PRO  34          HG2       PRO  34 -14.775   1.273   2.953
  278   2HG   PRO  34          HG3       PRO  34 -15.378   0.390   4.367
  279   1HD   PRO  34          HD2       PRO  34 -12.705   0.224   3.024
  280   2HD   PRO  34          HD3       PRO  34 -13.100   0.231   4.758
  281    H    LEU  35           HN       LEU  35 -15.835  -3.544   1.302
  282    HA   LEU  35           HA       LEU  35 -13.786  -4.710  -0.191
  283   1HB   LEU  35          HB2       LEU  35 -16.649  -4.666  -0.199
  284   2HB   LEU  35          HB3       LEU  35 -16.082  -4.489  -1.847
  285    HG   LEU  35           HG       LEU  35 -16.534  -6.840  -1.210
  286   1HD1  LEU  35          HD11      LEU  35 -14.139  -5.788  -2.403
  287   2HD1  LEU  35          HD12      LEU  35 -13.828  -7.345  -1.635
  288   3HD1  LEU  35          HD13      LEU  35 -15.094  -7.201  -2.853
  289   1HD2  LEU  35          HD21      LEU  35 -14.608  -7.840   0.234
  290   2HD2  LEU  35          HD22      LEU  35 -14.493  -6.197   0.866
  291   3HD2  LEU  35          HD23      LEU  35 -16.004  -7.095   1.013
  292    H    ILE  36           HN       ILE  36 -15.486  -1.674  -0.664
  293    HA   ILE  36           HA       ILE  36 -14.588  -1.148  -3.288
  294    HB   ILE  36           HB       ILE  36 -15.273   0.883  -1.160
  295   1HG1  ILE  36          HG12      ILE  36 -17.105  -0.704  -1.405
  296   2HG1  ILE  36          HG13      ILE  36 -17.552   0.839  -2.123
  297   1HG2  ILE  36          HG21      ILE  36 -14.530   1.081  -3.955
  298   2HG2  ILE  36          HG22      ILE  36 -16.085   1.838  -3.621
  299   3HG2  ILE  36          HG23      ILE  36 -14.651   2.340  -2.726
  300   1HD1  ILE  36          HD11      ILE  36 -17.969  -0.137  -4.058
  301   2HD1  ILE  36          HD12      ILE  36 -16.353  -0.845  -4.104
  302   3HD1  ILE  36          HD13      ILE  36 -17.666  -1.695  -3.290
  303    H    LEU  37           HN       LEU  37 -13.261  -0.393  -0.104
  304    HA   LEU  37           HA       LEU  37 -11.001   1.046  -1.004
  305   1HB   LEU  37          HB2       LEU  37 -11.304   1.377   1.229
  306   2HB   LEU  37          HB3       LEU  37 -11.870  -0.258   1.508
  307    HG   LEU  37           HG       LEU  37  -9.077  -0.291   0.813
  308   1HD1  LEU  37          HD11      LEU  37  -9.959   1.847   2.601
  309   2HD1  LEU  37          HD12      LEU  37  -8.719   0.795   3.283
  310   3HD1  LEU  37          HD13      LEU  37  -8.426   1.631   1.757
  311   1HD2  LEU  37          HD21      LEU  37 -10.663  -1.044   3.255
  312   2HD2  LEU  37          HD22      LEU  37 -10.175  -2.102   1.930
  313   3HD2  LEU  37          HD23      LEU  37  -8.957  -1.426   3.016
  314    H    ARG  38           HN       ARG  38 -11.520  -2.348  -0.163
  315    HA   ARG  38           HA       ARG  38  -9.015  -3.416  -0.686
  316   1HB   ARG  38          HB2       ARG  38 -10.983  -4.630   0.262
  317   2HB   ARG  38          HB3       ARG  38 -11.690  -4.655  -1.338
  318   1HG   ARG  38          HG2       ARG  38  -9.642  -5.897  -2.098
  319   2HG   ARG  38          HG3       ARG  38  -9.244  -6.099  -0.390
  320   1HD   ARG  38          HD2       ARG  38 -11.058  -7.466   0.003
  321   2HD   ARG  38          HD3       ARG  38 -11.976  -6.813  -1.351
  322    HE   ARG  38           HE       ARG  38 -10.175  -9.036  -1.395
  323   1HH1  ARG  38          HH12      ARG  38 -11.519  -6.469  -3.376
  324   2HH1  ARG  38          HH11      ARG  38 -11.286  -7.323  -4.870
  325   1HH2  ARG  38          HH22      ARG  38  -9.901 -10.172  -3.326
  326   2HH2  ARG  38          HH21      ARG  38 -10.374  -9.450  -4.843
  327    H    GLN  39           HN       GLN  39 -11.721  -2.882  -2.878
  328    HA   GLN  39           HA       GLN  39 -10.643  -3.850  -5.247
  329   1HB   GLN  39          HB2       GLN  39 -12.975  -2.623  -4.492
  330   2HB   GLN  39          HB3       GLN  39 -12.247  -1.404  -5.529
  331   1HG   GLN  39          HG2       GLN  39 -13.235  -2.503  -7.186
  332   2HG   GLN  39          HG3       GLN  39 -11.913  -3.658  -7.015
  333   1HE2  GLN  39          HE21      GLN  39 -15.144  -3.365  -7.259
  334   2HE2  GLN  39          HE22      GLN  39 -15.638  -4.849  -6.504
  335    H    ARG  40           HN       ARG  40 -10.284  -0.680  -3.739
  336    HA   ARG  40           HA       ARG  40  -8.874   0.420  -5.988
  337   1HB   ARG  40          HB2       ARG  40  -9.436   1.434  -3.209
  338   2HB   ARG  40          HB3       ARG  40  -8.443   2.322  -4.352
  339   1HG   ARG  40          HG2       ARG  40 -11.312   1.522  -4.750
  340   2HG   ARG  40          HG3       ARG  40 -10.721   3.120  -4.300
  341   1HD   ARG  40          HD2       ARG  40 -10.583   3.590  -6.473
  342   2HD   ARG  40          HD3       ARG  40  -9.263   2.425  -6.569
  343    HE   ARG  40           HE       ARG  40 -10.773   0.808  -7.391
  344   1HH1  ARG  40          HH12      ARG  40 -12.227   3.951  -6.911
  345   2HH1  ARG  40          HH11      ARG  40 -13.664   3.571  -7.815
  346   1HH2  ARG  40          HH22      ARG  40 -12.625   0.299  -8.598
  347   2HH2  ARG  40          HH21      ARG  40 -13.877   1.485  -8.807
  348    H    TRP  41           HN       TRP  41  -8.018  -1.285  -3.098
  349    HA   TRP  41           HA       TRP  41  -5.341  -0.403  -2.878
  350   1HB   TRP  41          HB2       TRP  41  -7.000  -2.555  -1.740
  351   2HB   TRP  41          HB3       TRP  41  -5.287  -2.952  -1.868
  352    HD1  TRP  41           HD1      TRP  41  -7.435  -0.035  -0.495
  353    HE1  TRP  41           HE1      TRP  41  -6.267   0.892   1.602
  354    HE3  TRP  41           HE3      TRP  41  -3.294  -3.014  -0.515
  355    HZ2  TRP  41           HZ2      TRP  41  -3.891   0.416   3.049
  356    HZ3  TRP  41           HZ3      TRP  41  -1.616  -2.711   1.254
  357    HH2  TRP  41           HH2      TRP  41  -1.907  -1.027   2.996
  358    H    LEU  42           HN       LEU  42  -6.938  -2.835  -4.825
  359    HA   LEU  42           HA       LEU  42  -4.563  -4.018  -5.863
  360   1HB   LEU  42          HB2       LEU  42  -7.214  -3.918  -7.286
  361   2HB   LEU  42          HB3       LEU  42  -5.959  -5.134  -7.419
  362    HG   LEU  42           HG       LEU  42  -7.870  -4.710  -5.127
  363   1HD1  LEU  42          HD11      LEU  42  -8.526  -5.991  -7.226
  364   2HD1  LEU  42          HD12      LEU  42  -7.351  -7.203  -6.715
  365   3HD1  LEU  42          HD13      LEU  42  -8.729  -6.820  -5.683
  366   1HD2  LEU  42          HD21      LEU  42  -5.538  -5.197  -4.343
  367   2HD2  LEU  42          HD22      LEU  42  -6.739  -6.409  -3.899
  368   3HD2  LEU  42          HD23      LEU  42  -5.627  -6.717  -5.232
  369    H    THR  43           HN       THR  43  -6.606  -1.326  -6.783
  370    HA   THR  43           HA       THR  43  -5.638  -0.749  -9.325
  371    HB   THR  43           HB       THR  43  -6.439   1.302  -7.255
  372    HG1  THR  43           HG1      THR  43  -8.390   0.398  -8.978
  373   1HG2  THR  43          HG21      THR  43  -7.454   1.789  -9.876
  374   2HG2  THR  43          HG22      THR  43  -5.717   1.498  -9.988
  375   3HG2  THR  43          HG23      THR  43  -6.333   2.768  -8.928
  376    H    ALA  44           HN       ALA  44  -4.422   0.187  -6.157
  377    HA   ALA  44           HA       ALA  44  -2.502   2.050  -6.952
  378   1HB   ALA  44          HB1       ALA  44  -3.103   0.482  -4.560
  379   2HB   ALA  44          HB2       ALA  44  -1.410   0.949  -4.726
  380   3HB   ALA  44          HB3       ALA  44  -2.669   2.182  -4.731
  381    H    ILE  45           HN       ILE  45  -2.196  -1.412  -6.363
  382    HA   ILE  45           HA       ILE  45   0.592  -1.427  -7.127
  383    HB   ILE  45           HB       ILE  45  -0.153  -4.070  -6.973
  384   1HG1  ILE  45          HG12      ILE  45  -1.581  -2.754  -4.681
  385   2HG1  ILE  45          HG13      ILE  45  -2.432  -3.086  -6.182
  386   1HG2  ILE  45          HG21      ILE  45   0.521  -2.865  -4.395
  387   2HG2  ILE  45          HG22      ILE  45   1.363  -4.100  -5.331
  388   3HG2  ILE  45          HG23      ILE  45   1.579  -2.395  -5.725
  389   1HD1  ILE  45          HD11      ILE  45  -1.205  -5.477  -5.624
  390   2HD1  ILE  45          HD12      ILE  45  -1.671  -4.874  -4.033
  391   3HD1  ILE  45          HD13      ILE  45  -2.889  -5.067  -5.294
  392    H    GLY  46           HN       GLY  46  -2.229  -1.380  -8.831
  393   1HA   GLY  46          HA1       GLY  46  -2.828  -1.932 -10.977
  394   2HA   GLY  46          HA2       GLY  46  -1.107  -2.104 -11.304
  395    H    ARG  47           HN       ARG  47  -3.038  -3.925  -8.985
  396    HA   ARG  47           HA       ARG  47  -2.313  -6.356 -10.478
  397   1HB   ARG  47          HB2       ARG  47  -1.870  -5.614  -7.661
  398   2HB   ARG  47          HB3       ARG  47  -2.483  -7.243  -7.919
  399   1HG   ARG  47          HG2       ARG  47  -0.576  -7.952  -8.913
  400   2HG   ARG  47          HG3       ARG  47  -0.228  -6.374  -9.623
  401   1HD   ARG  47          HD2       ARG  47   0.353  -5.559  -7.341
  402   2HD   ARG  47          HD3       ARG  47   0.173  -7.213  -6.756
  403    HE   ARG  47           HE       ARG  47   2.349  -6.137  -8.349
  404   1HH1  ARG  47          HH12      ARG  47   0.736  -9.005  -7.150
  405   2HH1  ARG  47          HH11      ARG  47   2.105 -10.048  -7.423
  406   1HH2  ARG  47          HH22      ARG  47   4.148  -7.499  -8.698
  407   2HH2  ARG  47          HH21      ARG  47   4.045  -9.190  -8.310
  408    H    THR  48           HN       THR  48  -3.606  -8.281  -9.366
  409    HA   THR  48           HA       THR  48  -6.404  -7.500  -9.048
  410    HB   THR  48           HB       THR  48  -6.299  -9.810 -10.739
  411    HG1  THR  48           HG1      THR  48  -4.533  -9.239 -11.832
  412   1HG2  THR  48          HG21      THR  48  -7.240  -7.008 -11.344
  413   2HG2  THR  48          HG22      THR  48  -8.171  -8.198 -10.435
  414   3HG2  THR  48          HG23      THR  48  -7.766  -8.500 -12.126
  415    H    GLU  49           HN       GLU  49  -7.553  -9.974  -9.029
  416    HA   GLU  49           HA       GLU  49  -7.037 -10.804  -6.400
  417   1HB   GLU  49          HB2       GLU  49  -8.291 -12.859  -8.085
  418   2HB   GLU  49          HB3       GLU  49  -8.864 -12.116  -6.603
  419   1HG   GLU  49          HG2       GLU  49  -9.002 -10.735  -9.268
  420   2HG   GLU  49          HG3       GLU  49 -10.269 -11.792  -8.670
  421    H    GLU  50           HN       GLU  50  -5.869 -11.984  -9.473
  422    HA   GLU  50           HA       GLU  50  -4.727 -14.395  -8.387
  423   1HB   GLU  50          HB2       GLU  50  -3.828 -13.327 -11.014
  424   2HB   GLU  50          HB3       GLU  50  -4.226 -14.972 -10.550
  425   1HG   GLU  50          HG2       GLU  50  -5.966 -14.512 -11.940
  426   2HG   GLU  50          HG3       GLU  50  -6.661 -14.004 -10.401
  427    H    THR  51           HN       THR  51  -3.805 -11.250  -8.089
  428    HA   THR  51           HA       THR  51  -0.958 -11.962  -7.943
  429    HB   THR  51           HB       THR  51  -0.714  -9.422  -8.729
  430    HG1  THR  51           HG1      THR  51  -2.729 -10.111 -10.517
  431   1HG2  THR  51          HG21      THR  51  -0.995 -10.699 -11.169
  432   2HG2  THR  51          HG22      THR  51  -0.631 -12.009 -10.046
  433   3HG2  THR  51          HG23      THR  51   0.470 -10.636 -10.189
  434    H    VAL  52           HN       VAL  52  -3.128 -11.580  -5.917
  435    HA   VAL  52           HA       VAL  52  -1.724  -9.687  -4.198
  436    HB   VAL  52           HB       VAL  52  -3.656  -8.558  -5.543
  437   1HG1  VAL  52          HG11      VAL  52  -5.153 -10.286  -3.634
  438   2HG1  VAL  52          HG12      VAL  52  -5.789  -8.696  -4.053
  439   3HG1  VAL  52          HG13      VAL  52  -5.505  -9.893  -5.317
  440   1HG2  VAL  52          HG21      VAL  52  -4.139  -7.058  -3.689
  441   2HG2  VAL  52          HG22      VAL  52  -3.508  -8.249  -2.548
  442   3HG2  VAL  52          HG23      VAL  52  -2.427  -7.491  -3.718
  443    H    VAL  53           HN       VAL  53  -2.833  -9.692  -1.965
  444    HA   VAL  53           HA       VAL  53  -4.457 -10.582  -0.526
  445    HB   VAL  53           HB       VAL  53  -4.045 -13.145  -2.037
  446   1HG1  VAL  53          HG11      VAL  53  -4.356 -13.037   0.732
  447   2HG1  VAL  53          HG12      VAL  53  -5.974 -13.357   0.108
  448   3HG1  VAL  53          HG13      VAL  53  -4.641 -14.431  -0.312
  449   1HG2  VAL  53          HG21      VAL  53  -6.551 -11.642  -1.296
  450   2HG2  VAL  53          HG22      VAL  53  -5.703 -11.471  -2.834
  451   3HG2  VAL  53          HG23      VAL  53  -6.418 -13.020  -2.389
  452    H    SER  54           HN       SER  54  -1.783 -12.955  -1.068
  453    HA   SER  54           HA       SER  54  -1.517 -12.966   1.839
  454   1HB   SER  54          HB2       SER  54  -0.353 -14.870  -0.194
  455   2HB   SER  54          HB3       SER  54  -0.289 -15.060   1.557
  456    HG   SER  54           HG       SER  54  -2.450 -15.343  -0.205
  457    H    GLN  55           HN       GLN  55   0.952 -13.408  -0.708
  458    HA   GLN  55           HA       GLN  55   3.043 -12.763   1.072
  459   1HB   GLN  55          HB2       GLN  55   3.597 -14.177  -0.724
  460   2HB   GLN  55          HB3       GLN  55   2.875 -13.103  -1.910
  461   1HG   GLN  55          HG2       GLN  55   5.131 -12.808  -2.271
  462   2HG   GLN  55          HG3       GLN  55   4.735 -11.453  -1.217
  463   1HE2  GLN  55          HE21      GLN  55   7.316 -12.590  -1.614
  464   2HE2  GLN  55          HE22      GLN  55   7.852 -13.212  -0.096
  465    H    LEU  56           HN       LEU  56   1.159 -10.809  -1.093
  466    HA   LEU  56           HA       LEU  56   2.964  -8.685  -1.442
  467   1HB   LEU  56          HB2       LEU  56   0.184  -9.243  -2.036
  468   2HB   LEU  56          HB3       LEU  56   0.458  -7.556  -1.650
  469    HG   LEU  56           HG       LEU  56   2.434  -7.813  -3.369
  470   1HD1  LEU  56          HD11      LEU  56   1.896  -9.340  -5.179
  471   2HD1  LEU  56          HD12      LEU  56   2.140 -10.222  -3.670
  472   3HD1  LEU  56          HD13      LEU  56   0.506  -9.945  -4.276
  473   1HD2  LEU  56          HD21      LEU  56   0.197  -7.641  -5.058
  474   2HD2  LEU  56          HD22      LEU  56  -0.290  -6.964  -3.503
  475   3HD2  LEU  56          HD23      LEU  56   1.123  -6.321  -4.341
  476    H    ARG  57           HN       ARG  57   3.623  -7.171  -0.114
  477    HA   ARG  57           HA       ARG  57   1.886  -6.332   2.106
  478   1HB   ARG  57          HB2       ARG  57   4.457  -7.560   2.283
  479   2HB   ARG  57          HB3       ARG  57   4.627  -5.881   2.773
  480   1HG   ARG  57          HG2       ARG  57   4.178  -7.074   4.742
  481   2HG   ARG  57          HG3       ARG  57   2.664  -6.271   4.322
  482   1HD   ARG  57          HD2       ARG  57   2.501  -8.695   5.054
  483   2HD   ARG  57          HD3       ARG  57   1.698  -8.269   3.544
  484    HE   ARG  57           HE       ARG  57   3.318  -9.464   2.350
  485   1HH1  ARG  57          HH12      ARG  57   3.902  -9.596   5.813
  486   2HH1  ARG  57          HH11      ARG  57   5.023 -10.926   5.684
  487   1HH2  ARG  57          HH22      ARG  57   4.777 -11.207   2.204
  488   2HH2  ARG  57          HH21      ARG  57   5.511 -11.837   3.648
  489    H    ILE  58           HN       ILE  58   1.976  -4.089   2.589
  490    HA   ILE  58           HA       ILE  58   3.246  -2.516   0.443
  491    HB   ILE  58           HB       ILE  58   0.628  -1.902   1.819
  492   1HG1  ILE  58          HG12      ILE  58   0.418  -3.826   0.318
  493   2HG1  ILE  58          HG13      ILE  58  -0.407  -2.423  -0.354
  494   1HG2  ILE  58          HG21      ILE  58   0.713  -0.386  -0.441
  495   2HG2  ILE  58          HG22      ILE  58   1.139   0.183   1.173
  496   3HG2  ILE  58          HG23      ILE  58   2.402  -0.362   0.067
  497   1HD1  ILE  58          HD11      ILE  58   2.399  -3.002  -1.169
  498   2HD1  ILE  58          HD12      ILE  58   1.075  -3.939  -1.859
  499   3HD1  ILE  58          HD13      ILE  58   1.112  -2.187  -2.057
  500    H    CYS  59           HN       CYS  59   4.594  -0.987   1.044
  501    HA   CYS  59           HA       CYS  59   5.240  -0.468   3.749
  502   1HB   CYS  59          HB2       CYS  59   5.983   1.306   1.436
  503   2HB   CYS  59          HB3       CYS  59   6.911   0.956   2.892
  504    H    SER  60           HN       SER  60   4.810   1.291   5.047
  505    HA   SER  60           HA       SER  60   2.424   2.772   4.531
  506   1HB   SER  60          HB2       SER  60   3.801   4.026   6.630
  507   2HB   SER  60          HB3       SER  60   2.517   2.823   6.771
  508    HG   SER  60           HG       SER  60   4.118   1.202   6.736
  509    H    ALA  61           HN       ALA  61   5.514   3.106   3.416
  510    HA   ALA  61           HA       ALA  61   5.744   5.950   3.323
  511   1HB   ALA  61          HB1       ALA  61   7.186   3.637   2.184
  512   2HB   ALA  61          HB2       ALA  61   7.302   5.148   1.282
  513   3HB   ALA  61          HB3       ALA  61   7.808   5.087   2.972
  514    H    HIS  62           HN       HIS  62   3.919   3.622   1.658
  515    HA   HIS  62           HA       HIS  62   3.568   5.211  -0.752
  516   1HB   HIS  62          HB2       HIS  62   2.288   2.608   0.114
  517   2HB   HIS  62          HB3       HIS  62   2.090   3.358  -1.465
  518    HD1  HIS  62           HD1      HIS  62   4.365   3.458  -2.969
  519    HD2  HIS  62           HD2      HIS  62   4.426   0.978   0.383
  520    HE1  HIS  62           HE1      HIS  62   6.348   1.887  -3.261
  521    H    PHE  63           HN       PHE  63   2.657   6.047   2.018
  522    HA   PHE  63           HA       PHE  63  -0.144   6.598   1.321
  523   1HB   PHE  63          HB2       PHE  63   0.891   5.686   4.013
  524   2HB   PHE  63          HB3       PHE  63  -0.713   6.359   3.753
  525    HD1  PHE  63           HD1      PHE  63   1.451   3.473   3.273
  526    HD2  PHE  63           HD2      PHE  63  -2.413   5.107   2.582
  527    HE1  PHE  63           HE1      PHE  63   0.605   1.230   2.733
  528    HE2  PHE  63           HE2      PHE  63  -3.268   2.867   2.045
  529    HZ   PHE  63           HZ       PHE  63  -1.756   0.927   2.120
  530    H    GLU  64           HN       GLU  64  -0.834   8.636   1.751
  531    HA   GLU  64           HA       GLU  64   0.933  10.677   2.591
  532   1HB   GLU  64          HB2       GLU  64  -1.046  11.150   1.224
  533   2HB   GLU  64          HB3       GLU  64  -2.094  10.614   2.528
  534   1HG   GLU  64          HG2       GLU  64  -0.362  12.646   3.522
  535   2HG   GLU  64          HG3       GLU  64  -1.109  13.207   2.029
  536    H    GLY  65           HN       GLY  65   1.713  10.943   4.594
  537   1HA   GLY  65          HA1       GLY  65   1.630  11.207   6.914
  538   2HA   GLY  65          HA2       GLY  65  -0.032  10.636   6.897
  539    H    GLY  66           HN       GLY  66   0.824   8.266   5.267
  540   1HA   GLY  66          HA1       GLY  66   1.842   6.198   5.523
  541   2HA   GLY  66          HA2       GLY  66   2.653   6.808   6.958
  542    H    GLU  67           HN       GLU  67  -0.677   7.381   7.053
  543    HA   GLU  67           HA       GLU  67  -0.969   5.113   8.901
  544   1HB   GLU  67          HB2       GLU  67  -3.012   6.778   9.575
  545   2HB   GLU  67          HB3       GLU  67  -1.434   6.774  10.349
  546   1HG   GLU  67          HG2       GLU  67  -1.070   8.855   9.709
  547   2HG   GLU  67          HG3       GLU  67  -1.331   8.419   8.020
  548    H    LYS  68           HN       LYS  68  -1.902   3.519   7.794
  549    HA   LYS  68           HA       LYS  68  -4.113   4.026   5.972
  550   1HB   LYS  68          HB2       LYS  68  -2.663   2.333   5.205
  551   2HB   LYS  68          HB3       LYS  68  -2.577   1.569   6.784
  552   1HG   LYS  68          HG2       LYS  68  -5.239   1.374   6.209
  553   2HG   LYS  68          HG3       LYS  68  -4.499   1.201   4.616
  554   1HD   LYS  68          HD2       LYS  68  -4.702  -0.983   5.563
  555   2HD   LYS  68          HD3       LYS  68  -2.995  -0.545   5.596
  556   1HE   LYS  68          HE2       LYS  68  -3.145  -1.279   7.724
  557   2HE   LYS  68          HE3       LYS  68  -3.730   0.359   8.010
  558   1HZ   LYS  68          HZ1       LYS  68  -5.503  -0.626   8.891
  559   2HZ   LYS  68          HZ2       LYS  68  -5.113  -2.142   8.242
  560   3HZ   LYS  68          HZ3       LYS  68  -5.976  -1.018   7.310
  561    H    LYS  69           HN       LYS  69  -6.063   4.373   6.811
  562    HA   LYS  69           HA       LYS  69  -6.782   2.931   9.273
  563   1HB   LYS  69          HB2       LYS  69  -8.125   5.347   8.048
  564   2HB   LYS  69          HB3       LYS  69  -8.506   4.618   9.602
  565   1HG   LYS  69          HG2       LYS  69  -6.623   5.457  10.616
  566   2HG   LYS  69          HG3       LYS  69  -5.732   5.580   9.098
  567   1HD   LYS  69          HD2       LYS  69  -8.028   7.337   9.963
  568   2HD   LYS  69          HD3       LYS  69  -6.321   7.790   9.944
  569   1HE   LYS  69          HE2       LYS  69  -7.605   6.802   7.437
  570   2HE   LYS  69          HE3       LYS  69  -7.907   8.456   7.966
  571   1HZ   LYS  69          HZ1       LYS  69  -5.979   9.036   7.104
  572   2HZ   LYS  69          HZ2       LYS  69  -5.670   7.443   6.617
  573   3HZ   LYS  69          HZ3       LYS  69  -5.155   7.982   8.148
  574    H    GLU  70           HN       GLU  70  -9.218   4.312   7.210
  575    HA   GLU  70           HA       GLU  70 -10.028   1.605   6.394
  576   1HB   GLU  70          HB2       GLU  70 -11.327   3.316   8.277
  577   2HB   GLU  70          HB3       GLU  70 -12.361   3.151   6.865
  578   1HG   GLU  70          HG2       GLU  70 -13.003   1.444   8.335
  579   2HG   GLU  70          HG3       GLU  70 -12.047   0.661   7.079
  580    H    GLY  71           HN       GLY  71  -9.199   4.621   5.355
  581   1HA   GLY  71          HA1       GLY  71 -10.778   4.289   2.896
  582   2HA   GLY  71          HA2       GLY  71 -10.782   5.845   3.714
  583    H    ASP  72           HN       ASP  72  -7.873   4.004   3.783
  584    HA   ASP  72           HA       ASP  72  -6.684   5.974   1.944
  585   1HB   ASP  72          HB2       ASP  72  -5.142   4.318   3.948
  586   2HB   ASP  72          HB3       ASP  72  -4.629   5.786   3.128
  587    H    ILE  73           HN       ILE  73  -5.691   5.326   0.181
  588    HA   ILE  73           HA       ILE  73  -5.219   2.443  -0.233
  589    HB   ILE  73           HB       ILE  73  -5.784   4.562  -2.329
  590   1HG1  ILE  73          HG12      ILE  73  -7.726   2.402  -2.031
  591   2HG1  ILE  73          HG13      ILE  73  -7.603   3.421  -0.599
  592   1HG2  ILE  73          HG21      ILE  73  -5.611   2.992  -3.966
  593   2HG2  ILE  73          HG22      ILE  73  -4.403   2.380  -2.836
  594   3HG2  ILE  73          HG23      ILE  73  -6.011   1.656  -2.887
  595   1HD1  ILE  73          HD11      ILE  73  -7.790   4.814  -3.192
  596   2HD1  ILE  73          HD12      ILE  73  -9.228   3.954  -2.640
  597   3HD1  ILE  73          HD13      ILE  73  -8.509   5.207  -1.630
  598    HA   PRO  74           HA       PRO  74  -0.958   3.647  -0.568
  599   1HB   PRO  74          HB2       PRO  74  -0.007   1.633  -2.156
  600   2HB   PRO  74          HB3       PRO  74  -0.316   1.458  -0.425
  601   1HG   PRO  74          HG2       PRO  74  -1.961   0.573  -2.747
  602   2HG   PRO  74          HG3       PRO  74  -1.702  -0.218  -1.182
  603   1HD   PRO  74          HD2       PRO  74  -3.954   1.181  -1.834
  604   2HD   PRO  74          HD3       PRO  74  -3.372   0.974  -0.176
  605    H    VAL  75           HN       VAL  75   0.491   4.605  -2.061
  606    HA   VAL  75           HA       VAL  75  -0.384   4.668  -4.864
  607    HB   VAL  75           HB       VAL  75   0.594   7.113  -4.812
  608   1HG1  VAL  75          HG11      VAL  75  -1.542   7.833  -5.082
  609   2HG1  VAL  75          HG12      VAL  75  -1.849   6.099  -5.131
  610   3HG1  VAL  75          HG13      VAL  75  -2.123   7.000  -3.640
  611   1HG2  VAL  75          HG21      VAL  75   0.479   6.465  -2.032
  612   2HG2  VAL  75          HG22      VAL  75   1.040   7.949  -2.804
  613   3HG2  VAL  75          HG23      VAL  75  -0.661   7.768  -2.374
  614    HA   PRO  76           HA       PRO  76   3.787   3.759  -5.837
  615   1HB   PRO  76          HB2       PRO  76   4.207   5.284  -8.076
  616   2HB   PRO  76          HB3       PRO  76   3.289   3.772  -8.075
  617   1HG   PRO  76          HG2       PRO  76   2.304   6.595  -8.008
  618   2HG   PRO  76          HG3       PRO  76   1.667   5.207  -8.909
  619   1HD   PRO  76          HD2       PRO  76   0.527   6.101  -6.630
  620   2HD   PRO  76          HD3       PRO  76   0.532   4.381  -7.079
  621    H    ASP  77           HN       ASP  77   2.846   7.100  -5.730
  622    HA   ASP  77           HA       ASP  77   5.077   7.935  -4.175
  623   1HB   ASP  77          HB2       ASP  77   5.968   7.812  -6.595
  624   2HB   ASP  77          HB3       ASP  77   4.906   9.178  -6.919
  625    HA   PRO  78           HA       PRO  78   1.299  10.233  -3.262
  626   1HB   PRO  78          HB2       PRO  78   3.047  11.347  -1.138
  627   2HB   PRO  78          HB3       PRO  78   1.463  10.575  -0.999
  628   1HG   PRO  78          HG2       PRO  78   3.677   9.299  -0.236
  629   2HG   PRO  78          HG3       PRO  78   2.358   8.435  -1.048
  630   1HD   PRO  78          HD2       PRO  78   4.972   9.380  -2.161
  631   2HD   PRO  78          HD3       PRO  78   4.104   7.859  -2.459
  632    H    THR  79           HN       THR  79   4.433  11.403  -4.016
  633    HA   THR  79           HA       THR  79   3.558  14.185  -4.079
  634    HB   THR  79           HB       THR  79   6.219  13.990  -4.991
  635    HG1  THR  79           HG1      THR  79   6.298  11.866  -4.148
  636   1HG2  THR  79          HG21      THR  79   5.344  14.578  -2.173
  637   2HG2  THR  79          HG22      THR  79   5.075  15.702  -3.506
  638   3HG2  THR  79          HG23      THR  79   6.718  15.252  -3.051
  639    H    VAL  80           HN       VAL  80   4.268  11.513  -6.192
  640    HA   VAL  80           HA       VAL  80   4.267  13.278  -8.534
  641    HB   VAL  80           HB       VAL  80   4.946  10.346  -8.255
  642   1HG1  VAL  80          HG11      VAL  80   5.062  12.039 -10.748
  643   2HG1  VAL  80          HG12      VAL  80   5.527  10.344 -10.596
  644   3HG1  VAL  80          HG13      VAL  80   3.838  10.814 -10.413
  645   1HG2  VAL  80          HG21      VAL  80   6.582  12.820  -8.747
  646   2HG2  VAL  80          HG22      VAL  80   6.717  11.667  -7.418
  647   3HG2  VAL  80          HG23      VAL  80   7.187  11.191  -9.049
  648    H    ASP  81           HN       ASP  81   2.642  10.383  -7.282
  649    HA   ASP  81           HA       ASP  81   0.572  10.597  -9.329
  650   1HB   ASP  81          HB2       ASP  81   1.698   8.389  -8.496
  651   2HB   ASP  81          HB3       ASP  81   0.590   8.541  -7.136
  652    H    LYS  82           HN       LYS  82  -1.622  10.835  -8.811
  653    HA   LYS  82           HA       LYS  82  -2.102  12.558  -6.575
  654   1HB   LYS  82          HB2       LYS  82  -3.743  11.502  -8.846
  655   2HB   LYS  82          HB3       LYS  82  -4.559  12.220  -7.462
  656   1HG   LYS  82          HG2       LYS  82  -4.349  14.015  -8.877
  657   2HG   LYS  82          HG3       LYS  82  -2.923  14.200  -7.854
  658   1HD   LYS  82          HD2       LYS  82  -2.250  12.505 -10.043
  659   2HD   LYS  82          HD3       LYS  82  -3.049  13.943 -10.680
  660   1HE   LYS  82          HE2       LYS  82  -1.439  15.374  -9.822
  661   2HE   LYS  82          HE3       LYS  82  -0.901  14.206  -8.616
  662   1HZ   LYS  82          HZ1       LYS  82  -0.187  12.853 -10.688
  663   2HZ   LYS  82          HZ2       LYS  82   0.785  14.132 -10.152
  664   3HZ   LYS  82          HZ3       LYS  82  -0.242  14.351 -11.483
  665    H    GLN  83           HN       GLN  83  -1.736  11.410  -4.760
  666    HA   GLN  83           HA       GLN  83  -2.165   9.000  -3.838
  667   1HB   GLN  83          HB2       GLN  83  -1.447  10.519  -2.246
  668   2HB   GLN  83          HB3       GLN  83  -2.773  11.628  -2.552
  669   1HG   GLN  83          HG2       GLN  83  -3.245  10.768  -0.455
  670   2HG   GLN  83          HG3       GLN  83  -4.272   9.819  -1.528
  671   1HE2  GLN  83          HE21      GLN  83  -4.092   7.676  -1.499
  672   2HE2  GLN  83          HE22      GLN  83  -2.884   6.784  -0.642
  673    H    ILE  84           HN       ILE  84  -3.661   7.536  -4.157
  674    HA   ILE  84           HA       ILE  84  -6.405   8.238  -4.571
  675    HB   ILE  84           HB       ILE  84  -5.555   5.409  -4.102
  676   1HG1  ILE  84          HG12      ILE  84  -5.385   6.233  -6.904
  677   2HG1  ILE  84          HG13      ILE  84  -4.143   6.972  -5.895
  678   1HG2  ILE  84          HG21      ILE  84  -7.714   5.213  -4.633
  679   2HG2  ILE  84          HG22      ILE  84  -7.788   6.832  -5.326
  680   3HG2  ILE  84          HG23      ILE  84  -7.187   5.486  -6.293
  681   1HD1  ILE  84          HD11      ILE  84  -4.128   4.334  -5.104
  682   2HD1  ILE  84          HD12      ILE  84  -4.401   4.247  -6.846
  683   3HD1  ILE  84          HD13      ILE  84  -2.991   5.101  -6.216
  684    H    LYS  85           HN       LYS  85  -7.595   8.804  -2.878
  685    HA   LYS  85           HA       LYS  85  -7.607   7.039  -0.531
  686   1HB   LYS  85          HB2       LYS  85  -6.652   9.757  -0.589
  687   2HB   LYS  85          HB3       LYS  85  -8.092   9.657   0.416
  688   1HG   LYS  85          HG2       LYS  85  -6.594   7.459   1.173
  689   2HG   LYS  85          HG3       LYS  85  -5.401   8.739   0.933
  690   1HD   LYS  85          HD2       LYS  85  -7.817   9.582   2.361
  691   2HD   LYS  85          HD3       LYS  85  -6.858   8.362   3.204
  692   1HE   LYS  85          HE2       LYS  85  -5.091  10.306   2.115
  693   2HE   LYS  85          HE3       LYS  85  -6.374  11.149   2.981
  694   1HZ   LYS  85          HZ1       LYS  85  -4.241  10.310   4.206
  695   2HZ   LYS  85          HZ2       LYS  85  -5.107   8.846   4.278
  696   3HZ   LYS  85          HZ3       LYS  85  -5.758  10.253   4.962
  697    H    ILE  86           HN       ILE  86  -9.639   6.501   0.015
  698    HA   ILE  86           HA       ILE  86 -11.828   7.634  -1.492
  699    HB   ILE  86           HB       ILE  86 -12.261   5.749   0.794
  700   1HG1  ILE  86          HG12      ILE  86 -11.957   4.263  -1.598
  701   2HG1  ILE  86          HG13      ILE  86 -10.489   5.202  -1.360
  702   1HG2  ILE  86          HG21      ILE  86 -13.925   6.897  -1.015
  703   2HG2  ILE  86          HG22      ILE  86 -13.584   5.342  -1.780
  704   3HG2  ILE  86          HG23      ILE  86 -14.258   5.394  -0.150
  705   1HD1  ILE  86          HD11      ILE  86 -11.085   2.770  -0.222
  706   2HD1  ILE  86          HD12      ILE  86  -9.817   3.881   0.294
  707   3HD1  ILE  86          HD13      ILE  86 -11.396   3.921   1.077
  708    H    GLU  87           HN       GLU  87 -13.315   9.066  -0.761
  709    HA   GLU  87           HA       GLU  87 -12.810  10.422   1.692
  710   1HB   GLU  87          HB2       GLU  87 -14.958  11.638   1.196
  711   2HB   GLU  87          HB3       GLU  87 -13.729  11.749  -0.047
  712   1HG   GLU  87          HG2       GLU  87 -15.050   9.716  -1.052
  713   2HG   GLU  87          HG3       GLU  87 -16.361  10.412  -0.109
  714    H    LEU  88           HN       LEU  88 -13.044   9.295   3.469
  715    HA   LEU  88           HA       LEU  88 -15.277   7.413   3.702
  716   1HB   LEU  88          HB2       LEU  88 -13.276   6.254   3.997
  717   2HB   LEU  88          HB3       LEU  88 -12.523   7.573   4.869
  718    HG   LEU  88           HG       LEU  88 -14.588   6.826   6.545
  719   1HD1  LEU  88          HD11      LEU  88 -14.883   4.827   5.030
  720   2HD1  LEU  88          HD12      LEU  88 -13.291   4.296   5.572
  721   3HD1  LEU  88          HD13      LEU  88 -14.605   4.475   6.735
  722   1HD2  LEU  88          HD21      LEU  88 -12.531   7.364   7.474
  723   2HD2  LEU  88          HD22      LEU  88 -12.651   5.628   7.762
  724   3HD2  LEU  88          HD23      LEU  88 -11.657   6.237   6.438
  725    HA   PRO  89           HA       PRO  89 -17.407   9.823   6.796
  726   1HB   PRO  89          HB2       PRO  89 -17.706   7.140   8.076
  727   2HB   PRO  89          HB3       PRO  89 -18.932   8.365   7.735
  728   1HG   PRO  89          HG2       PRO  89 -18.738   6.189   6.220
  729   2HG   PRO  89          HG3       PRO  89 -19.100   7.769   5.502
  730   1HD   PRO  89          HD2       PRO  89 -16.559   6.211   5.475
  731   2HD   PRO  89          HD3       PRO  89 -17.244   7.281   4.235
  732    HA   PRO  90           HA       PRO  90 -14.217  10.744   9.648
  733   1HB   PRO  90          HB2       PRO  90 -16.423  11.386  11.542
  734   2HB   PRO  90          HB3       PRO  90 -15.064  12.382  11.011
  735   1HG   PRO  90          HG2       PRO  90 -17.494  12.829  10.047
  736   2HG   PRO  90          HG3       PRO  90 -16.077  12.912   8.981
  737   1HD   PRO  90          HD2       PRO  90 -18.116  10.741   9.266
  738   2HD   PRO  90          HD3       PRO  90 -17.341  11.374   7.799
  739    H    LYS  91           HN       LYS  91 -16.517   8.320  10.403
  740    HA   LYS  91           HA       LYS  91 -16.340   6.401  11.611
  741   1HB   LYS  91          HB2       LYS  91 -13.569   7.472  12.002
  742   2HB   LYS  91          HB3       LYS  91 -14.112   6.098  12.954
  743   1HG   LYS  91          HG2       LYS  91 -14.747   5.064  10.673
  744   2HG   LYS  91          HG3       LYS  91 -13.681   6.301  10.000
  745   1HD   LYS  91          HD2       LYS  91 -11.976   4.923  10.402
  746   2HD   LYS  91          HD3       LYS  91 -12.252   5.190  12.124
  747   1HE   LYS  91          HE2       LYS  91 -13.898   3.314  12.074
  748   2HE   LYS  91          HE3       LYS  91 -13.409   3.000  10.409
  749   1HZ   LYS  91          HZ1       LYS  91 -11.315   3.128  12.453
  750   2HZ   LYS  91          HZ2       LYS  91 -11.408   2.172  11.053
  751   3HZ   LYS  91          HZ3       LYS  91 -12.309   1.754  12.426
  Start of MODEL    6
    1   1H    GLY   1          H1        GLY   1  19.481 -12.320  12.398
    2   2H    GLY   1          H2        GLY   1  19.594 -10.778  11.700
    3   3H    GLY   1          H3        GLY   1  20.834 -11.905  11.461
    4   1HA   GLY   1          HA2       GLY   1  19.807 -12.260   9.519
    5   2HA   GLY   1          HA1       GLY   1  18.799 -13.301  10.515
    6    H    SER   2           HN       SER   2  18.541 -11.257   8.115
    7    HA   SER   2           HA       SER   2  16.405  -9.569   9.102
    8   1HB   SER   2          HB2       SER   2  17.104  -9.950   6.200
    9   2HB   SER   2          HB3       SER   2  16.460  -8.517   7.005
   10    HG   SER   2           HG       SER   2  18.496  -8.356   8.107
   11    H    MET   3           HN       MET   3  14.278  -9.566   8.077
   12    HA   MET   3           HA       MET   3  13.441 -12.257   7.226
   13   1HB   MET   3          HB2       MET   3  12.475 -11.321   9.398
   14   2HB   MET   3          HB3       MET   3  11.629 -10.145   8.399
   15   1HG   MET   3          HG2       MET   3  10.594 -12.049   7.168
   16   2HG   MET   3          HG3       MET   3  11.323 -13.138   8.348
   17   1HE   MET   3          HE1       MET   3   8.253 -13.590  10.349
   18   2HE   MET   3          HE2       MET   3   8.991 -14.159   8.852
   19   3HE   MET   3          HE3       MET   3   9.970 -13.993  10.308
   20    HA   PRO   4           HA       PRO   4  13.223  -9.990   3.367
   21   1HB   PRO   4          HB2       PRO   4  12.369 -12.156   1.890
   22   2HB   PRO   4          HB3       PRO   4  14.057 -11.796   2.262
   23   1HG   PRO   4          HG2       PRO   4  12.192 -13.715   3.594
   24   2HG   PRO   4          HG3       PRO   4  13.912 -13.905   3.209
   25   1HD   PRO   4          HD2       PRO   4  13.076 -13.336   5.694
   26   2HD   PRO   4          HD3       PRO   4  14.592 -12.679   5.043
   27    H    THR   5           HN       THR   5  11.467  -8.645   3.861
   28    HA   THR   5           HA       THR   5   8.781  -9.655   3.372
   29    HB   THR   5           HB       THR   5   9.192  -6.727   3.601
   30    HG1  THR   5           HG1      THR   5  10.376  -8.470   5.342
   31   1HG2  THR   5          HG21      THR   5   6.978  -7.219   3.799
   32   2HG2  THR   5          HG22      THR   5   7.426  -7.366   5.497
   33   3HG2  THR   5          HG23      THR   5   7.278  -8.812   4.499
   34    H    THR   6           HN       THR   6   7.417  -8.307   1.760
   35    HA   THR   6           HA       THR   6   9.032  -7.465  -0.529
   36    HB   THR   6           HB       THR   6   6.764  -9.267  -1.173
   37    HG1  THR   6           HG1      THR   6   9.181 -10.094   0.059
   38   1HG2  THR   6          HG21      THR   6   8.471 -10.018  -2.886
   39   2HG2  THR   6          HG22      THR   6   9.518  -8.737  -2.275
   40   3HG2  THR   6          HG23      THR   6   7.963  -8.334  -3.005
   41    H    CYS   7           HN       CYS   7   8.301  -5.518  -1.063
   42    HA   CYS   7           HA       CYS   7   5.627  -4.631  -0.705
   43   1HB   CYS   7          HB2       CYS   7   7.602  -3.112  -0.914
   44   2HB   CYS   7          HB3       CYS   7   7.729  -3.564  -2.610
   45    H    GLY   8           HN       GLY   8   3.962  -4.532  -2.167
   46   1HA   GLY   8          HA1       GLY   8   4.086  -6.500  -4.306
   47   2HA   GLY   8          HA2       GLY   8   2.644  -5.670  -3.735
   48    H    PHE   9           HN       PHE   9   4.689  -3.232  -4.027
   49    HA   PHE   9           HA       PHE   9   3.397  -2.246  -6.359
   50   1HB   PHE   9          HB2       PHE   9   5.066  -1.207  -4.259
   51   2HB   PHE   9          HB3       PHE   9   5.650  -0.638  -5.819
   52    HD1  PHE   9           HD1      PHE   9   4.452   0.957  -7.071
   53    HD2  PHE   9           HD2      PHE   9   2.738  -0.733  -3.570
   54    HE1  PHE   9           HE1      PHE   9   2.684   2.660  -7.125
   55    HE2  PHE   9           HE2      PHE   9   0.961   0.968  -3.610
   56    HZ   PHE   9           HZ       PHE   9   0.935   2.673  -5.392
   57    HA   PRO  10           HA       PRO  10   5.968  -3.802  -9.577
   58   1HB   PRO  10          HB2       PRO  10   5.782  -1.654 -11.310
   59   2HB   PRO  10          HB3       PRO  10   4.596  -2.957 -11.181
   60   1HG   PRO  10          HG2       PRO  10   4.553  -0.226  -9.967
   61   2HG   PRO  10          HG3       PRO  10   3.222  -1.164 -10.672
   62   1HD   PRO  10          HD2       PRO  10   3.532  -0.945  -8.020
   63   2HD   PRO  10          HD3       PRO  10   2.956  -2.452  -8.762
   64    H    ASN  11           HN       ASN  11   6.482  -0.581  -8.368
   65    HA   ASN  11           HA       ASN  11   9.335  -1.046  -8.342
   66   1HB   ASN  11          HB2       ASN  11   9.030  -0.013 -10.550
   67   2HB   ASN  11          HB3       ASN  11   8.197   1.350  -9.805
   68   1HD2  ASN  11          HD21      ASN  11   9.451   3.065  -9.775
   69   2HD2  ASN  11          HD22      ASN  11  11.149   3.093  -9.420
   70    H    CYS  12           HN       CYS  12   9.065  -1.017  -6.107
   71    HA   CYS  12           HA       CYS  12   8.079   1.333  -4.796
   72   1HB   CYS  12          HB2       CYS  12   7.984  -0.969  -3.796
   73   2HB   CYS  12          HB3       CYS  12   9.737  -0.905  -3.623
   74    H    LYS  13           HN       LYS  13   9.296   2.990  -5.672
   75    HA   LYS  13           HA       LYS  13  12.134   2.995  -5.738
   76   1HB   LYS  13          HB2       LYS  13  11.952   5.314  -6.368
   77   2HB   LYS  13          HB3       LYS  13  10.698   4.403  -7.198
   78   1HG   LYS  13          HG2       LYS  13   9.623   5.328  -4.742
   79   2HG   LYS  13          HG3       LYS  13  10.429   6.682  -5.536
   80   1HD   LYS  13          HD2       LYS  13   8.471   4.868  -6.934
   81   2HD   LYS  13          HD3       LYS  13   7.996   6.364  -6.127
   82   1HE   LYS  13          HE2       LYS  13  10.226   6.482  -8.089
   83   2HE   LYS  13          HE3       LYS  13   8.591   6.276  -8.712
   84   1HZ   LYS  13          HZ1       LYS  13   8.163   8.405  -8.357
   85   2HZ   LYS  13          HZ2       LYS  13   9.796   8.636  -7.975
   86   3HZ   LYS  13          HZ3       LYS  13   8.673   8.326  -6.739
   87    H    PHE  14           HN       PHE  14  10.014   3.239  -3.170
   88    HA   PHE  14           HA       PHE  14  11.415   5.165  -1.591
   89   1HB   PHE  14          HB2       PHE  14   9.239   3.176  -1.081
   90   2HB   PHE  14          HB3       PHE  14  10.078   3.896   0.291
   91    HD1  PHE  14           HD1      PHE  14   9.989   6.334   0.656
   92    HD2  PHE  14           HD2      PHE  14   7.696   4.427  -2.381
   93    HE1  PHE  14           HE1      PHE  14   8.568   8.335   0.476
   94    HE2  PHE  14           HE2      PHE  14   6.270   6.424  -2.564
   95    HZ   PHE  14           HZ       PHE  14   6.705   8.378  -1.135
   96    H    ARG  15           HN       ARG  15  11.343   1.630  -1.765
   97    HA   ARG  15           HA       ARG  15  13.165   1.109   0.294
   98   1HB   ARG  15          HB2       ARG  15  12.575  -0.435  -2.234
   99   2HB   ARG  15          HB3       ARG  15  13.574  -1.049  -0.925
  100   1HG   ARG  15          HG2       ARG  15  11.796  -1.373   0.471
  101   2HG   ARG  15          HG3       ARG  15  10.828  -0.107  -0.285
  102   1HD   ARG  15          HD2       ARG  15   9.764  -2.040  -0.993
  103   2HD   ARG  15          HD3       ARG  15  10.833  -1.673  -2.346
  104    HE   ARG  15           HE       ARG  15  11.250  -3.789  -0.333
  105   1HH1  ARG  15          HH12      ARG  15  11.930  -2.387  -3.471
  106   2HH1  ARG  15          HH11      ARG  15  12.924  -3.713  -3.998
  107   1HH2  ARG  15          HH22      ARG  15  12.555  -5.509  -0.974
  108   2HH2  ARG  15          HH21      ARG  15  13.274  -5.510  -2.561
  109    H    SER  16           HN       SER  16  13.664   1.731  -3.152
  110    HA   SER  16           HA       SER  16  16.481   1.261  -3.055
  111   1HB   SER  16          HB2       SER  16  15.850   2.768  -5.356
  112   2HB   SER  16          HB3       SER  16  16.077   1.022  -5.241
  113    HG   SER  16           HG       SER  16  14.051   1.124  -5.939
  114    H    ARG  17           HN       ARG  17  14.434   4.100  -2.723
  115    HA   ARG  17           HA       ARG  17  16.585   5.956  -3.079
  116   1HB   ARG  17          HB2       ARG  17  15.054   7.648  -2.711
  117   2HB   ARG  17          HB3       ARG  17  14.022   6.362  -3.312
  118   1HG   ARG  17          HG2       ARG  17  13.199   5.881  -1.149
  119   2HG   ARG  17          HG3       ARG  17  14.428   6.891  -0.385
  120   1HD   ARG  17          HD2       ARG  17  12.604   8.285  -0.319
  121   2HD   ARG  17          HD3       ARG  17  13.354   8.781  -1.836
  122    HE   ARG  17           HE       ARG  17  11.268   6.747  -1.950
  123   1HH1  ARG  17          HH12      ARG  17  12.255  10.063  -2.478
  124   2HH1  ARG  17          HH11      ARG  17  10.895  10.443  -3.498
  125   1HH2  ARG  17          HH22      ARG  17   9.472   7.244  -3.277
  126   2HH2  ARG  17          HH21      ARG  17   9.310   8.837  -3.958
  127    H    TYR  18           HN       TYR  18  15.204   4.239  -0.373
  128    HA   TYR  18           HA       TYR  18  16.709   5.696   1.597
  129   1HB   TYR  18          HB2       TYR  18  14.868   3.362   1.594
  130   2HB   TYR  18          HB3       TYR  18  16.031   3.462   2.913
  131    HD1  TYR  18           HD1      TYR  18  13.721   5.783   1.102
  132    HD2  TYR  18           HD2      TYR  18  15.265   4.457   4.833
  133    HE1  TYR  18           HE1      TYR  18  12.260   7.383   2.266
  134    HE2  TYR  18           HE2      TYR  18  13.809   6.051   6.009
  135    HH   TYR  18           HH       TYR  18  12.639   8.519   5.048
  136    H    ARG  19           HN       ARG  19  16.845   2.399   0.287
  137    HA   ARG  19           HA       ARG  19  19.672   2.391   0.075
  138   1HB   ARG  19          HB2       ARG  19  18.566   1.576   2.624
  139   2HB   ARG  19          HB3       ARG  19  19.351   0.212   1.842
  140   1HG   ARG  19          HG2       ARG  19  20.561   2.845   2.624
  141   2HG   ARG  19          HG3       ARG  19  20.970   1.236   3.218
  142   1HD   ARG  19          HD2       ARG  19  21.635   0.703   0.812
  143   2HD   ARG  19          HD3       ARG  19  21.551   2.442   0.526
  144    HE   ARG  19           HE       ARG  19  23.547   1.006   2.067
  145   1HH1  ARG  19          HH12      ARG  19  22.179   4.097   1.169
  146   2HH1  ARG  19          HH11      ARG  19  23.524   5.017   1.778
  147   1HH2  ARG  19          HH22      ARG  19  25.343   2.185   2.800
  148   2HH2  ARG  19          HH21      ARG  19  25.354   3.923   2.672
  149    H    GLY  20           HN       GLY  20  18.562  -0.607   1.122
  150   1HA   GLY  20          HA1       GLY  20  17.157  -1.402  -1.255
  151   2HA   GLY  20          HA2       GLY  20  18.797  -2.036  -1.170
  152    H    LEU  21           HN       LEU  21  17.190  -1.475   1.801
  153    HA   LEU  21           HA       LEU  21  16.718  -4.363   2.077
  154   1HB   LEU  21          HB2       LEU  21  17.292  -2.915   4.555
  155   2HB   LEU  21          HB3       LEU  21  17.874  -4.474   4.002
  156    HG   LEU  21           HG       LEU  21  19.099  -2.394   2.449
  157   1HD1  LEU  21          HD11      LEU  21  20.481  -1.628   4.546
  158   2HD1  LEU  21          HD12      LEU  21  18.996  -0.795   4.086
  159   3HD1  LEU  21          HD13      LEU  21  18.976  -1.978   5.395
  160   1HD2  LEU  21          HD21      LEU  21  21.151  -3.437   3.510
  161   2HD2  LEU  21          HD22      LEU  21  20.041  -4.517   4.355
  162   3HD2  LEU  21          HD23      LEU  21  20.103  -4.518   2.592
  163    H    GLU  22           HN       GLU  22  14.598  -3.299   1.233
  164    HA   GLU  22           HA       GLU  22  12.373  -3.096   1.619
  165   1HB   GLU  22          HB2       GLU  22  13.440  -4.560   3.883
  166   2HB   GLU  22          HB3       GLU  22  12.004  -3.648   4.324
  167   1HG   GLU  22          HG2       GLU  22  11.837  -6.090   3.418
  168   2HG   GLU  22          HG3       GLU  22  10.642  -4.870   2.987
  169    H    ASP  23           HN       ASP  23  14.366  -0.867   2.495
  170    HA   ASP  23           HA       ASP  23  14.203   1.305   3.166
  171   1HB   ASP  23          HB2       ASP  23  12.090   1.545   2.089
  172   2HB   ASP  23          HB3       ASP  23  11.268   0.600   3.320
  173    H    ASN  24           HN       ASN  24  12.919  -1.236   5.133
  174    HA   ASN  24           HA       ASN  24  12.852  -1.617   7.380
  175   1HB   ASN  24          HB2       ASN  24  14.984  -0.242   7.579
  176   2HB   ASN  24          HB3       ASN  24  13.961   1.162   7.870
  177   1HD2  ASN  24          HD21      ASN  24  14.182   1.640   9.946
  178   2HD2  ASN  24          HD22      ASN  24  14.020   0.521  11.257
  179    H    ARG  25           HN       ARG  25  10.838  -0.668   5.752
  180    HA   ARG  25           HA       ARG  25   9.332   1.317   7.258
  181   1HB   ARG  25          HB2       ARG  25   9.564   0.992   4.621
  182   2HB   ARG  25          HB3       ARG  25   8.200  -0.086   4.883
  183   1HG   ARG  25          HG2       ARG  25   6.907   1.702   4.700
  184   2HG   ARG  25          HG3       ARG  25   7.517   2.200   6.280
  185   1HD   ARG  25          HD2       ARG  25   9.517   3.037   4.651
  186   2HD   ARG  25          HD3       ARG  25   8.114   3.246   3.603
  187    HE   ARG  25           HE       ARG  25   7.226   4.436   5.780
  188   1HH1  ARG  25          HH12      ARG  25  10.417   4.628   4.321
  189   2HH1  ARG  25          HH11      ARG  25  10.696   6.255   4.876
  190   1HH2  ARG  25          HH22      ARG  25   7.582   6.550   6.487
  191   2HH2  ARG  25          HH21      ARG  25   9.075   7.363   6.101
  192    H    HIS  26           HN       HIS  26   6.931   0.832   7.487
  193    HA   HIS  26           HA       HIS  26   6.592  -1.847   8.603
  194   1HB   HIS  26          HB2       HIS  26   5.423   0.797   9.151
  195   2HB   HIS  26          HB3       HIS  26   4.258  -0.522   9.150
  196    HD2  HIS  26           HD2      HIS  26   6.275   1.226  11.620
  197    HE1  HIS  26           HE1      HIS  26   6.261  -2.796  12.950
  198    HE2  HIS  26           HE2      HIS  26   6.942  -0.421  13.525
  199    H    PHE  27           HN       PHE  27   5.993  -3.261   7.127
  200    HA   PHE  27           HA       PHE  27   4.579  -2.438   4.754
  201   1HB   PHE  27          HB2       PHE  27   5.775  -5.013   5.736
  202   2HB   PHE  27          HB3       PHE  27   4.684  -5.015   4.354
  203    HD1  PHE  27           HD1      PHE  27   5.599  -4.796   2.259
  204    HD2  PHE  27           HD2      PHE  27   7.699  -3.208   5.602
  205    HE1  PHE  27           HE1      PHE  27   7.482  -4.199   0.791
  206    HE2  PHE  27           HE2      PHE  27   9.583  -2.607   4.142
  207    HZ   PHE  27           HZ       PHE  27   9.475  -3.106   1.733
  208    H    TYR  28           HN       TYR  28   2.472  -2.183   4.725
  209    HA   TYR  28           HA       TYR  28   0.767  -3.349   6.736
  210   1HB   TYR  28          HB2       TYR  28   0.098  -1.732   4.269
  211   2HB   TYR  28          HB3       TYR  28  -1.059  -2.210   5.502
  212    HD1  TYR  28           HD1      TYR  28  -0.845   0.545   4.731
  213    HD2  TYR  28           HD2      TYR  28   1.450  -1.600   7.598
  214    HE1  TYR  28           HE1      TYR  28  -0.400   2.644   5.922
  215    HE2  TYR  28           HE2      TYR  28   1.909   0.497   8.803
  216    HH   TYR  28           HH       TYR  28   0.752   2.789   9.019
  217    H    ARG  29           HN       ARG  29  -1.100  -4.637   6.239
  218    HA   ARG  29           HA       ARG  29  -0.779  -6.327   3.873
  219   1HB   ARG  29          HB2       ARG  29  -1.199  -7.293   6.215
  220   2HB   ARG  29          HB3       ARG  29  -2.837  -6.671   6.049
  221   1HG   ARG  29          HG2       ARG  29  -2.985  -8.902   5.389
  222   2HG   ARG  29          HG3       ARG  29  -2.937  -7.998   3.873
  223   1HD   ARG  29          HD2       ARG  29  -1.333  -9.484   3.329
  224   2HD   ARG  29          HD3       ARG  29  -0.300  -8.418   4.286
  225    HE   ARG  29           HE       ARG  29  -1.540 -10.332   5.956
  226   1HH1  ARG  29          HH12      ARG  29   0.970 -10.112   3.512
  227   2HH1  ARG  29          HH11      ARG  29   1.916 -11.406   4.194
  228   1HH2  ARG  29          HH22      ARG  29  -0.317 -12.001   6.840
  229   2HH2  ARG  29          HH21      ARG  29   1.172 -12.491   6.093
  230    H    ILE  30           HN       ILE  30  -2.492  -6.532   2.367
  231    HA   ILE  30           HA       ILE  30  -3.865  -4.182   1.725
  232    HB   ILE  30           HB       ILE  30  -4.889  -6.836   0.800
  233   1HG1  ILE  30          HG12      ILE  30  -2.884  -6.207  -0.996
  234   2HG1  ILE  30          HG13      ILE  30  -2.135  -5.873   0.563
  235   1HG2  ILE  30          HG21      ILE  30  -5.215  -5.663  -1.279
  236   2HG2  ILE  30          HG22      ILE  30  -5.915  -4.723   0.040
  237   3HG2  ILE  30          HG23      ILE  30  -4.364  -4.250  -0.653
  238   1HD1  ILE  30          HD11      ILE  30  -1.643  -8.038   0.594
  239   2HD1  ILE  30          HD12      ILE  30  -3.345  -8.296   0.976
  240   3HD1  ILE  30          HD13      ILE  30  -2.792  -8.406  -0.695
  241    HA   PRO  31           HA       PRO  31  -7.021  -4.217   4.911
  242   1HB   PRO  31          HB2       PRO  31  -8.224  -2.391   2.878
  243   2HB   PRO  31          HB3       PRO  31  -8.021  -2.162   4.623
  244   1HG   PRO  31          HG2       PRO  31  -6.438  -0.946   2.850
  245   2HG   PRO  31          HG3       PRO  31  -5.810  -1.517   4.407
  246   1HD   PRO  31          HD2       PRO  31  -5.429  -2.623   1.680
  247   2HD   PRO  31          HD3       PRO  31  -4.364  -2.707   3.094
  248    H    LYS  32           HN       LYS  32  -8.138  -6.121   4.855
  249    HA   LYS  32           HA       LYS  32  -9.684  -6.847   2.519
  250   1HB   LYS  32          HB2       LYS  32  -8.381  -8.439   4.103
  251   2HB   LYS  32          HB3       LYS  32  -9.774  -8.275   5.162
  252   1HG   LYS  32          HG2       LYS  32 -10.668  -8.891   2.519
  253   2HG   LYS  32          HG3       LYS  32  -9.427 -10.047   3.010
  254   1HD   LYS  32          HD2       LYS  32 -10.779 -10.136   5.232
  255   2HD   LYS  32          HD3       LYS  32 -12.089  -9.478   4.249
  256   1HE   LYS  32          HE2       LYS  32 -12.227 -11.373   2.936
  257   2HE   LYS  32          HE3       LYS  32 -10.569 -11.859   3.285
  258   1HZ   LYS  32          HZ1       LYS  32 -12.956 -12.116   5.016
  259   2HZ   LYS  32          HZ2       LYS  32 -11.381 -12.235   5.639
  260   3HZ   LYS  32          HZ3       LYS  32 -11.915 -13.340   4.469
  261    H    ARG  33           HN       ARG  33 -10.074  -4.882   5.048
  262    HA   ARG  33           HA       ARG  33 -12.995  -4.933   4.835
  263   1HB   ARG  33          HB2       ARG  33 -11.345  -5.204   7.288
  264   2HB   ARG  33          HB3       ARG  33 -12.756  -4.162   7.395
  265   1HG   ARG  33          HG2       ARG  33 -14.068  -6.125   6.432
  266   2HG   ARG  33          HG3       ARG  33 -12.642  -7.097   6.802
  267   1HD   ARG  33          HD2       ARG  33 -12.907  -6.872   9.068
  268   2HD   ARG  33          HD3       ARG  33 -13.760  -5.337   8.925
  269    HE   ARG  33           HE       ARG  33 -15.088  -7.793   8.018
  270   1HH1  ARG  33          HH12      ARG  33 -14.879  -5.125  10.275
  271   2HH1  ARG  33          HH11      ARG  33 -16.444  -5.411  10.973
  272   1HH2  ARG  33          HH22      ARG  33 -17.148  -8.195   8.940
  273   2HH2  ARG  33          HH21      ARG  33 -17.740  -7.168  10.211
  274    HA   PRO  34           HA       PRO  34 -14.267  -4.000   4.100
  275   1HB   PRO  34          HB2       PRO  34 -15.280  -2.321   2.277
  276   2HB   PRO  34          HB3       PRO  34 -15.587  -2.094   4.005
  277   1HG   PRO  34          HG2       PRO  34 -13.681  -0.658   2.209
  278   2HG   PRO  34          HG3       PRO  34 -14.672  -0.022   3.533
  279   1HD   PRO  34          HD2       PRO  34 -11.975  -0.670   3.706
  280   2HD   PRO  34          HD3       PRO  34 -13.079  -0.485   5.082
  281    H    LEU  35           HN       LEU  35 -14.719  -4.954   1.983
  282    HA   LEU  35           HA       LEU  35 -12.317  -5.696   0.683
  283   1HB   LEU  35          HB2       LEU  35 -14.948  -6.636   0.817
  284   2HB   LEU  35          HB3       LEU  35 -14.673  -6.288  -0.880
  285    HG   LEU  35           HG       LEU  35 -12.391  -7.658  -0.182
  286   1HD1  LEU  35          HD11      LEU  35 -12.779  -9.293   1.333
  287   2HD1  LEU  35          HD12      LEU  35 -13.901  -8.094   1.979
  288   3HD1  LEU  35          HD13      LEU  35 -14.499  -9.394   0.948
  289   1HD2  LEU  35          HD21      LEU  35 -14.391  -7.870  -2.017
  290   2HD2  LEU  35          HD22      LEU  35 -13.051  -9.003  -1.852
  291   3HD2  LEU  35          HD23      LEU  35 -14.603  -9.354  -1.089
  292    H    ILE  36           HN       ILE  36 -14.739  -3.301  -0.012
  293    HA   ILE  36           HA       ILE  36 -14.118  -2.877  -2.738
  294    HB   ILE  36           HB       ILE  36 -15.419  -1.082  -0.690
  295   1HG1  ILE  36          HG12      ILE  36 -16.849  -2.891  -1.149
  296   2HG1  ILE  36          HG13      ILE  36 -17.425  -1.609  -2.210
  297   1HG2  ILE  36          HG21      ILE  36 -14.220   0.058  -2.701
  298   2HG2  ILE  36          HG22      ILE  36 -15.588  -0.561  -3.626
  299   3HG2  ILE  36          HG23      ILE  36 -15.863   0.538  -2.275
  300   1HD1  ILE  36          HD11      ILE  36 -15.887  -4.081  -2.911
  301   2HD1  ILE  36          HD12      ILE  36 -17.427  -3.506  -3.555
  302   3HD1  ILE  36          HD13      ILE  36 -15.928  -2.687  -3.991
  303    H    LEU  37           HN       LEU  37 -12.864  -1.524   0.257
  304    HA   LEU  37           HA       LEU  37 -11.215   0.457  -0.888
  305   1HB   LEU  37          HB2       LEU  37 -11.639   0.597   1.437
  306   2HB   LEU  37          HB3       LEU  37 -11.121  -1.055   1.708
  307    HG   LEU  37           HG       LEU  37  -8.788  -0.241   0.988
  308   1HD1  LEU  37          HD11      LEU  37  -9.465   2.420   1.999
  309   2HD1  LEU  37          HD12      LEU  37  -8.351   1.937   0.720
  310   3HD1  LEU  37          HD13      LEU  37 -10.078   2.064   0.383
  311   1HD2  LEU  37          HD21      LEU  37 -10.177   0.456   3.547
  312   2HD2  LEU  37          HD22      LEU  37  -9.066  -0.875   3.211
  313   3HD2  LEU  37          HD23      LEU  37  -8.459   0.779   3.315
  314    H    ARG  38           HN       ARG  38 -10.687  -2.930  -0.058
  315    HA   ARG  38           HA       ARG  38  -7.995  -3.103  -0.846
  316   1HB   ARG  38          HB2       ARG  38  -8.750  -4.879   0.441
  317   2HB   ARG  38          HB3       ARG  38 -10.229  -5.064  -0.488
  318   1HG   ARG  38          HG2       ARG  38  -8.894  -5.978  -2.358
  319   2HG   ARG  38          HG3       ARG  38  -7.456  -5.873  -1.337
  320   1HD   ARG  38          HD2       ARG  38  -7.955  -7.828  -0.409
  321   2HD   ARG  38          HD3       ARG  38  -9.494  -7.175   0.142
  322    HE   ARG  38           HE       ARG  38  -9.711  -7.908  -2.580
  323   1HH1  ARG  38          HH12      ARG  38  -9.409  -9.351   0.602
  324   2HH1  ARG  38          HH11      ARG  38 -10.258 -10.804   0.175
  325   1HH2  ARG  38          HH22      ARG  38 -10.829  -9.818  -3.155
  326   2HH2  ARG  38          HH21      ARG  38 -11.068 -11.068  -1.961
  327    H    GLN  39           HN       GLN  39 -11.011  -3.613  -2.622
  328    HA   GLN  39           HA       GLN  39  -9.924  -4.420  -5.069
  329   1HB   GLN  39          HB2       GLN  39 -12.483  -3.667  -4.063
  330   2HB   GLN  39          HB3       GLN  39 -12.213  -2.797  -5.566
  331   1HG   GLN  39          HG2       GLN  39 -12.728  -4.606  -6.710
  332   2HG   GLN  39          HG3       GLN  39 -11.394  -5.477  -5.955
  333   1HE2  GLN  39          HE21      GLN  39 -11.799  -6.915  -4.337
  334   2HE2  GLN  39          HE22      GLN  39 -13.397  -7.377  -3.858
  335    H    ARG  40           HN       ARG  40 -10.512  -1.200  -3.749
  336    HA   ARG  40           HA       ARG  40  -9.672   0.170  -6.120
  337   1HB   ARG  40          HB2       ARG  40 -10.538   0.921  -3.404
  338   2HB   ARG  40          HB3       ARG  40  -9.389   2.023  -4.143
  339   1HG   ARG  40          HG2       ARG  40 -11.968   1.135  -5.406
  340   2HG   ARG  40          HG3       ARG  40 -11.742   2.629  -4.495
  341   1HD   ARG  40          HD2       ARG  40  -9.780   3.025  -6.160
  342   2HD   ARG  40          HD3       ARG  40 -10.625   1.838  -7.151
  343    HE   ARG  40           HE       ARG  40 -11.792   4.407  -6.266
  344   1HH1  ARG  40          HH12      ARG  40 -11.511   1.776  -8.568
  345   2HH1  ARG  40          HH11      ARG  40 -12.534   2.534  -9.750
  346   1HH2  ARG  40          HH22      ARG  40 -13.154   5.392  -7.822
  347   2HH2  ARG  40          HH21      ARG  40 -13.468   4.577  -9.325
  348    H    TRP  41           HN       TRP  41  -8.151  -0.916  -3.171
  349    HA   TRP  41           HA       TRP  41  -5.739   0.453  -3.208
  350   1HB   TRP  41          HB2       TRP  41  -6.795  -2.003  -2.018
  351   2HB   TRP  41          HB3       TRP  41  -5.064  -2.085  -2.321
  352    HD1  TRP  41           HD1      TRP  41  -7.329   0.733  -0.892
  353    HE1  TRP  41           HE1      TRP  41  -6.201   1.621   1.241
  354    HE3  TRP  41           HE3      TRP  41  -3.267  -2.366  -0.783
  355    HZ2  TRP  41           HZ2      TRP  41  -3.900   1.066   2.773
  356    HZ3  TRP  41           HZ3      TRP  41  -1.648  -2.117   1.051
  357    HH2  TRP  41           HH2      TRP  41  -1.960  -0.432   2.782
  358    H    LEU  42           HN       LEU  42  -6.775  -2.326  -5.051
  359    HA   LEU  42           HA       LEU  42  -4.280  -3.215  -5.970
  360   1HB   LEU  42          HB2       LEU  42  -6.983  -3.461  -7.282
  361   2HB   LEU  42          HB3       LEU  42  -5.567  -4.417  -7.676
  362    HG   LEU  42           HG       LEU  42  -6.880  -4.428  -4.962
  363   1HD1  LEU  42          HD11      LEU  42  -7.267  -6.229  -7.336
  364   2HD1  LEU  42          HD12      LEU  42  -7.703  -6.685  -5.690
  365   3HD1  LEU  42          HD13      LEU  42  -8.491  -5.309  -6.461
  366   1HD2  LEU  42          HD21      LEU  42  -4.789  -6.166  -6.256
  367   2HD2  LEU  42          HD22      LEU  42  -4.582  -5.100  -4.866
  368   3HD2  LEU  42          HD23      LEU  42  -5.590  -6.539  -4.729
  369    H    THR  43           HN       THR  43  -6.100  -0.464  -6.882
  370    HA   THR  43           HA       THR  43  -5.491  -0.210  -9.596
  371    HB   THR  43           HB       THR  43  -5.992   1.894  -7.487
  372    HG1  THR  43           HG1      THR  43  -7.819   0.704  -7.888
  373   1HG2  THR  43          HG21      THR  43  -4.813   2.368  -9.954
  374   2HG2  THR  43          HG22      THR  43  -5.644   3.554  -8.944
  375   3HG2  THR  43          HG23      THR  43  -6.523   2.713 -10.222
  376    H    ALA  44           HN       ALA  44  -3.709   1.001  -6.763
  377    HA   ALA  44           HA       ALA  44  -1.749   2.316  -8.388
  378   1HB   ALA  44          HB1       ALA  44  -2.591   2.716  -5.876
  379   2HB   ALA  44          HB2       ALA  44  -1.127   1.781  -5.559
  380   3HB   ALA  44          HB3       ALA  44  -1.032   3.277  -6.484
  381    H    ILE  45           HN       ILE  45  -1.976  -0.778  -6.755
  382    HA   ILE  45           HA       ILE  45   0.830  -1.373  -7.036
  383    HB   ILE  45           HB       ILE  45  -0.666  -3.773  -6.685
  384   1HG1  ILE  45          HG12      ILE  45  -1.489  -1.569  -4.781
  385   2HG1  ILE  45          HG13      ILE  45  -2.532  -2.297  -5.995
  386   1HG2  ILE  45          HG21      ILE  45   1.641  -2.879  -5.837
  387   2HG2  ILE  45          HG22      ILE  45   0.693  -2.379  -4.436
  388   3HG2  ILE  45          HG23      ILE  45   0.742  -4.079  -4.908
  389   1HD1  ILE  45          HD11      ILE  45  -1.338  -4.302  -4.303
  390   2HD1  ILE  45          HD12      ILE  45  -2.219  -3.098  -3.362
  391   3HD1  ILE  45          HD13      ILE  45  -3.036  -3.982  -4.650
  392    H    GLY  46           HN       GLY  46  -1.938  -1.589  -9.019
  393   1HA   GLY  46          HA1       GLY  46  -2.314  -2.521 -11.084
  394   2HA   GLY  46          HA2       GLY  46  -0.564  -2.670 -11.234
  395    H    ARG  47           HN       ARG  47  -2.499  -4.075  -8.693
  396    HA   ARG  47           HA       ARG  47  -1.653  -6.736  -9.623
  397   1HB   ARG  47          HB2       ARG  47  -1.832  -5.489  -6.925
  398   2HB   ARG  47          HB3       ARG  47  -2.177  -7.205  -7.053
  399   1HG   ARG  47          HG2       ARG  47   0.342  -5.939  -8.096
  400   2HG   ARG  47          HG3       ARG  47   0.186  -6.628  -6.478
  401   1HD   ARG  47          HD2       ARG  47  -0.152  -8.794  -7.318
  402   2HD   ARG  47          HD3       ARG  47  -0.492  -8.200  -8.936
  403    HE   ARG  47           HE       ARG  47   2.017  -8.954  -7.942
  404   1HH1  ARG  47          HH12      ARG  47   0.606  -6.381  -9.885
  405   2HH1  ARG  47          HH11      ARG  47   2.078  -6.064 -10.749
  406   1HH2  ARG  47          HH22      ARG  47   3.918  -8.537  -9.066
  407   2HH2  ARG  47          HH21      ARG  47   3.961  -7.297 -10.285
  408    H    THR  48           HN       THR  48  -3.115  -8.499  -9.253
  409    HA   THR  48           HA       THR  48  -5.915  -7.656  -9.326
  410    HB   THR  48           HB       THR  48  -5.685 -10.439  -9.824
  411    HG1  THR  48           HG1      THR  48  -3.549 -10.272 -10.370
  412   1HG2  THR  48          HG21      THR  48  -7.228  -9.752 -11.276
  413   2HG2  THR  48          HG22      THR  48  -5.953  -9.030 -12.259
  414   3HG2  THR  48          HG23      THR  48  -6.760  -8.071 -11.017
  415    H    GLU  49           HN       GLU  49  -7.338  -9.657  -8.413
  416    HA   GLU  49           HA       GLU  49  -7.020  -9.283  -5.607
  417   1HB   GLU  49          HB2       GLU  49  -9.007 -10.771  -7.300
  418   2HB   GLU  49          HB3       GLU  49  -9.055 -10.858  -5.545
  419   1HG   GLU  49          HG2       GLU  49  -8.850  -8.127  -6.416
  420   2HG   GLU  49          HG3       GLU  49 -10.218  -8.927  -7.186
  421    H    GLU  50           HN       GLU  50  -6.702 -12.089  -7.759
  422    HA   GLU  50           HA       GLU  50  -6.248 -13.893  -5.562
  423   1HB   GLU  50          HB2       GLU  50  -5.342 -14.842  -8.163
  424   2HB   GLU  50          HB3       GLU  50  -6.543 -15.523  -7.076
  425   1HG   GLU  50          HG2       GLU  50  -7.800 -15.046  -8.920
  426   2HG   GLU  50          HG3       GLU  50  -8.045 -13.598  -7.946
  427    H    THR  51           HN       THR  51  -4.359 -11.692  -7.264
  428    HA   THR  51           HA       THR  51  -1.857 -13.091  -6.761
  429    HB   THR  51           HB       THR  51  -1.438 -10.398  -7.630
  430    HG1  THR  51           HG1      THR  51  -3.184 -11.845  -9.365
  431   1HG2  THR  51          HG21      THR  51  -0.783 -13.120  -8.397
  432   2HG2  THR  51          HG22      THR  51   0.166 -11.643  -8.568
  433   3HG2  THR  51          HG23      THR  51  -1.026 -12.075  -9.795
  434    H    VAL  52           HN       VAL  52  -3.836 -10.537  -5.487
  435    HA   VAL  52           HA       VAL  52  -1.774  -9.413  -3.851
  436    HB   VAL  52           HB       VAL  52  -4.079  -8.389  -4.812
  437   1HG1  VAL  52          HG11      VAL  52  -5.603  -9.535  -3.396
  438   2HG1  VAL  52          HG12      VAL  52  -4.654  -9.154  -1.958
  439   3HG1  VAL  52          HG13      VAL  52  -5.512  -7.873  -2.814
  440   1HG2  VAL  52          HG21      VAL  52  -3.700  -6.498  -3.233
  441   2HG2  VAL  52          HG22      VAL  52  -2.515  -7.504  -2.400
  442   3HG2  VAL  52          HG23      VAL  52  -2.254  -7.044  -4.084
  443    H    VAL  53           HN       VAL  53  -4.269 -11.779  -3.440
  444    HA   VAL  53           HA       VAL  53  -3.933 -11.846  -0.577
  445    HB   VAL  53           HB       VAL  53  -5.451 -13.856  -2.249
  446   1HG1  VAL  53          HG11      VAL  53  -4.997 -14.569   0.031
  447   2HG1  VAL  53          HG12      VAL  53  -5.667 -13.063   0.655
  448   3HG1  VAL  53          HG13      VAL  53  -6.713 -14.217  -0.172
  449   1HG2  VAL  53          HG21      VAL  53  -6.785 -11.567  -0.867
  450   2HG2  VAL  53          HG22      VAL  53  -6.076 -11.327  -2.464
  451   3HG2  VAL  53          HG23      VAL  53  -7.342 -12.532  -2.235
  452    H    SER  54           HN       SER  54  -1.573 -12.163  -0.980
  453    HA   SER  54           HA       SER  54  -0.987 -14.980  -0.595
  454   1HB   SER  54          HB2       SER  54   0.959 -14.853  -2.188
  455   2HB   SER  54          HB3       SER  54  -0.620 -14.794  -2.969
  456    HG   SER  54           HG       SER  54  -0.240 -12.808  -3.615
  457    H    GLN  55           HN       GLN  55   1.629 -12.926  -1.412
  458    HA   GLN  55           HA       GLN  55   2.273 -12.583   1.447
  459   1HB   GLN  55          HB2       GLN  55   3.664 -14.079  -0.407
  460   2HB   GLN  55          HB3       GLN  55   4.542 -12.555  -0.407
  461   1HG   GLN  55          HG2       GLN  55   3.946 -13.462   2.277
  462   2HG   GLN  55          HG3       GLN  55   4.863 -14.654   1.357
  463   1HE2  GLN  55          HE21      GLN  55   6.136 -12.601  -0.287
  464   2HE2  GLN  55          HE22      GLN  55   7.336 -11.861   0.710
  465    H    LEU  56           HN       LEU  56   1.047 -10.871  -0.850
  466    HA   LEU  56           HA       LEU  56   2.930  -8.803  -1.366
  467   1HB   LEU  56          HB2       LEU  56   0.343  -9.544  -2.260
  468   2HB   LEU  56          HB3       LEU  56   0.258  -7.878  -1.724
  469    HG   LEU  56           HG       LEU  56   2.392  -7.581  -3.218
  470   1HD1  LEU  56          HD11      LEU  56   2.623 -10.015  -3.636
  471   2HD1  LEU  56          HD12      LEU  56   1.107  -9.966  -4.535
  472   3HD1  LEU  56          HD13      LEU  56   2.501  -9.052  -5.109
  473   1HD2  LEU  56          HD21      LEU  56  -0.446  -7.419  -3.707
  474   2HD2  LEU  56          HD22      LEU  56   0.847  -6.328  -4.207
  475   3HD2  LEU  56          HD23      LEU  56   0.442  -7.731  -5.200
  476    H    ARG  57           HN       ARG  57   3.401  -7.036  -0.247
  477    HA   ARG  57           HA       ARG  57   1.552  -6.131   1.852
  478   1HB   ARG  57          HB2       ARG  57   4.562  -6.381   2.087
  479   2HB   ARG  57          HB3       ARG  57   3.530  -5.579   3.263
  480   1HG   ARG  57          HG2       ARG  57   2.706  -8.310   2.647
  481   2HG   ARG  57          HG3       ARG  57   4.316  -8.188   3.358
  482   1HD   ARG  57          HD2       ARG  57   2.986  -6.510   4.971
  483   2HD   ARG  57          HD3       ARG  57   1.670  -7.593   4.525
  484    HE   ARG  57           HE       ARG  57   3.548  -9.343   5.222
  485   1HH1  ARG  57          HH12      ARG  57   2.569  -6.392   6.830
  486   2HH1  ARG  57          HH11      ARG  57   2.881  -7.007   8.427
  487   1HH2  ARG  57          HH22      ARG  57   3.962 -10.158   7.317
  488   2HH2  ARG  57          HH21      ARG  57   3.659  -9.150   8.705
  489    H    ILE  58           HN       ILE  58   1.825  -3.828   2.380
  490    HA   ILE  58           HA       ILE  58   3.124  -2.318   0.208
  491    HB   ILE  58           HB       ILE  58   0.474  -1.529   1.418
  492   1HG1  ILE  58          HG12      ILE  58   0.351  -3.671   0.088
  493   2HG1  ILE  58          HG13      ILE  58  -0.640  -2.354  -0.533
  494   1HG2  ILE  58          HG21      ILE  58   0.425  -0.098  -0.683
  495   2HG2  ILE  58          HG22      ILE  58   1.564   0.378   0.577
  496   3HG2  ILE  58          HG23      ILE  58   2.139  -0.480  -0.853
  497   1HD1  ILE  58          HD11      ILE  58   1.300  -3.884  -1.888
  498   2HD1  ILE  58          HD12      ILE  58   0.332  -2.545  -2.504
  499   3HD1  ILE  58          HD13      ILE  58   1.911  -2.233  -1.780
  500    H    CYS  59           HN       CYS  59   4.549  -0.937   0.943
  501    HA   CYS  59           HA       CYS  59   5.105  -0.400   3.602
  502   1HB   CYS  59          HB2       CYS  59   5.808   1.486   1.372
  503   2HB   CYS  59          HB3       CYS  59   6.757   1.050   2.793
  504    H    SER  60           HN       SER  60   4.932   1.418   4.878
  505    HA   SER  60           HA       SER  60   2.436   2.772   4.807
  506   1HB   SER  60          HB2       SER  60   4.285   4.007   6.620
  507   2HB   SER  60          HB3       SER  60   2.918   2.955   6.991
  508    HG   SER  60           HG       SER  60   4.273   1.166   6.737
  509    H    ALA  61           HN       ALA  61   5.418   3.373   3.338
  510    HA   ALA  61           HA       ALA  61   5.355   6.245   3.398
  511   1HB   ALA  61          HB1       ALA  61   6.998   4.242   1.876
  512   2HB   ALA  61          HB2       ALA  61   7.140   5.980   1.609
  513   3HB   ALA  61          HB3       ALA  61   7.500   5.299   3.196
  514    H    HIS  62           HN       HIS  62   3.610   3.943   1.732
  515    HA   HIS  62           HA       HIS  62   3.435   5.356  -0.782
  516   1HB   HIS  62          HB2       HIS  62   2.030   2.913   0.304
  517   2HB   HIS  62          HB3       HIS  62   1.697   3.588  -1.291
  518    HD1  HIS  62           HD1      HIS  62   3.929   3.711  -2.921
  519    HD2  HIS  62           HD2      HIS  62   4.087   1.156   0.373
  520    HE1  HIS  62           HE1      HIS  62   5.878   2.126  -3.322
  521    H    PHE  63           HN       PHE  63   2.370   6.154   2.081
  522    HA   PHE  63           HA       PHE  63  -0.071   7.422   1.037
  523   1HB   PHE  63          HB2       PHE  63   0.360   6.636   3.929
  524   2HB   PHE  63          HB3       PHE  63  -1.115   7.260   3.201
  525    HD1  PHE  63           HD1      PHE  63  -2.607   5.830   1.995
  526    HD2  PHE  63           HD2      PHE  63   1.071   4.341   3.537
  527    HE1  PHE  63           HE1      PHE  63  -3.370   3.527   1.589
  528    HE2  PHE  63           HE2      PHE  63   0.315   2.040   3.131
  529    HZ   PHE  63           HZ       PHE  63  -1.905   1.630   2.154
  530    H    GLU  64           HN       GLU  64  -0.606   9.381   2.565
  531    HA   GLU  64           HA       GLU  64   1.647  11.120   2.718
  532   1HB   GLU  64          HB2       GLU  64  -0.948  11.554   4.191
  533   2HB   GLU  64          HB3       GLU  64   0.161  12.762   3.558
  534   1HG   GLU  64          HG2       GLU  64  -0.714  12.681   1.487
  535   2HG   GLU  64          HG3       GLU  64  -1.033  10.948   1.569
  536    H    GLY  65           HN       GLY  65   3.151   9.991   4.009
  537   1HA   GLY  65          HA1       GLY  65   4.256   9.932   6.073
  538   2HA   GLY  65          HA2       GLY  65   2.744  10.342   6.873
  539    H    GLY  66           HN       GLY  66   1.036   8.593   6.761
  540   1HA   GLY  66          HA1       GLY  66   1.423   5.952   6.150
  541   2HA   GLY  66          HA2       GLY  66   2.168   6.140   7.732
  542    H    GLU  67           HN       GLU  67  -0.773   7.514   6.282
  543    HA   GLU  67           HA       GLU  67  -2.246   6.630   8.671
  544   1HB   GLU  67          HB2       GLU  67  -3.115   8.733   6.683
  545   2HB   GLU  67          HB3       GLU  67  -3.808   8.404   8.265
  546   1HG   GLU  67          HG2       GLU  67  -1.103   9.578   7.682
  547   2HG   GLU  67          HG3       GLU  67  -2.502  10.409   8.362
  548    H    LYS  68           HN       LYS  68  -2.772   4.548   8.009
  549    HA   LYS  68           HA       LYS  68  -4.390   4.301   5.563
  550   1HB   LYS  68          HB2       LYS  68  -2.485   2.754   5.792
  551   2HB   LYS  68          HB3       LYS  68  -3.164   2.148   7.296
  552   1HG   LYS  68          HG2       LYS  68  -5.256   1.761   5.637
  553   2HG   LYS  68          HG3       LYS  68  -3.913   1.575   4.507
  554   1HD   LYS  68          HD2       LYS  68  -4.683  -0.548   5.620
  555   2HD   LYS  68          HD3       LYS  68  -2.964  -0.187   5.789
  556   1HE   LYS  68          HE2       LYS  68  -3.112  -0.004   8.014
  557   2HE   LYS  68          HE3       LYS  68  -4.598   0.940   7.927
  558   1HZ   LYS  68          HZ1       LYS  68  -4.414  -2.016   7.676
  559   2HZ   LYS  68          HZ2       LYS  68  -5.842  -1.100   7.626
  560   3HZ   LYS  68          HZ3       LYS  68  -4.934  -1.168   9.053
  561    H    LYS  69           HN       LYS  69  -6.415   5.002   6.185
  562    HA   LYS  69           HA       LYS  69  -7.587   3.745   8.557
  563   1HB   LYS  69          HB2       LYS  69  -8.138   6.192   7.000
  564   2HB   LYS  69          HB3       LYS  69  -9.568   5.332   7.553
  565   1HG   LYS  69          HG2       LYS  69  -7.320   6.359   9.274
  566   2HG   LYS  69          HG3       LYS  69  -8.955   7.018   9.160
  567   1HD   LYS  69          HD2       LYS  69  -9.770   4.741   9.923
  568   2HD   LYS  69          HD3       LYS  69  -8.087   4.373  10.309
  569   1HE   LYS  69          HE2       LYS  69  -8.206   5.519  12.210
  570   2HE   LYS  69          HE3       LYS  69  -8.849   6.936  11.382
  571   1HZ   LYS  69          HZ1       LYS  69 -10.211   5.020  12.993
  572   2HZ   LYS  69          HZ2       LYS  69 -10.934   5.147  11.466
  573   3HZ   LYS  69          HZ3       LYS  69 -10.744   6.529  12.433
  574    H    GLU  70           HN       GLU  70  -9.910   4.563   6.231
  575    HA   GLU  70           HA       GLU  70 -10.005   1.816   5.220
  576   1HB   GLU  70          HB2       GLU  70 -12.003   3.187   6.917
  577   2HB   GLU  70          HB3       GLU  70 -12.646   2.295   5.545
  578   1HG   GLU  70          HG2       GLU  70 -12.621   0.545   6.926
  579   2HG   GLU  70          HG3       GLU  70 -10.892   0.496   6.586
  580    H    GLY  71           HN       GLY  71  -9.485   4.721   4.282
  581   1HA   GLY  71          HA1       GLY  71 -11.069   4.412   1.823
  582   2HA   GLY  71          HA2       GLY  71 -11.025   5.969   2.633
  583    H    ASP  72           HN       ASP  72  -8.062   4.868   3.223
  584    HA   ASP  72           HA       ASP  72  -6.961   6.525   1.117
  585   1HB   ASP  72          HB2       ASP  72  -5.313   5.092   3.199
  586   2HB   ASP  72          HB3       ASP  72  -4.979   6.616   2.381
  587    H    ILE  73           HN       ILE  73  -6.535   5.647  -0.775
  588    HA   ILE  73           HA       ILE  73  -5.535   2.908  -0.986
  589    HB   ILE  73           HB       ILE  73  -6.142   4.951  -3.139
  590   1HG1  ILE  73          HG12      ILE  73  -7.837   2.575  -2.994
  591   2HG1  ILE  73          HG13      ILE  73  -7.937   3.583  -1.553
  592   1HG2  ILE  73          HG21      ILE  73  -5.444   3.520  -4.712
  593   2HG2  ILE  73          HG22      ILE  73  -4.528   2.779  -3.400
  594   3HG2  ILE  73          HG23      ILE  73  -6.094   2.114  -3.867
  595   1HD1  ILE  73          HD11      ILE  73  -9.635   4.244  -3.102
  596   2HD1  ILE  73          HD12      ILE  73  -8.426   5.522  -2.999
  597   3HD1  ILE  73          HD13      ILE  73  -8.446   4.437  -4.389
  598    HA   PRO  74           HA       PRO  74  -1.376   4.375  -0.837
  599   1HB   PRO  74          HB2       PRO  74  -0.104   2.321  -2.090
  600   2HB   PRO  74          HB3       PRO  74  -0.734   2.195  -0.442
  601   1HG   PRO  74          HG2       PRO  74  -1.951   1.254  -3.011
  602   2HG   PRO  74          HG3       PRO  74  -1.856   0.420  -1.448
  603   1HD   PRO  74          HD2       PRO  74  -4.092   1.681  -2.282
  604   2HD   PRO  74          HD3       PRO  74  -3.631   1.608  -0.570
  605    H    VAL  75           HN       VAL  75   0.254   5.256  -2.207
  606    HA   VAL  75           HA       VAL  75  -0.351   5.174  -5.082
  607    HB   VAL  75           HB       VAL  75   0.573   7.565  -5.166
  608   1HG1  VAL  75          HG11      VAL  75  -1.623   8.521  -4.882
  609   2HG1  VAL  75          HG12      VAL  75  -1.791   6.905  -5.564
  610   3HG1  VAL  75          HG13      VAL  75  -2.121   7.178  -3.854
  611   1HG2  VAL  75          HG21      VAL  75   1.176   8.563  -3.277
  612   2HG2  VAL  75          HG22      VAL  75  -0.460   8.372  -2.643
  613   3HG2  VAL  75          HG23      VAL  75   0.744   7.113  -2.372
  614    HA   PRO  76           HA       PRO  76   3.822   4.095  -5.750
  615   1HB   PRO  76          HB2       PRO  76   4.598   5.717  -7.822
  616   2HB   PRO  76          HB3       PRO  76   3.584   4.285  -8.017
  617   1HG   PRO  76          HG2       PRO  76   2.807   7.163  -7.913
  618   2HG   PRO  76          HG3       PRO  76   2.150   5.856  -8.912
  619   1HD   PRO  76          HD2       PRO  76   0.891   6.793  -6.693
  620   2HD   PRO  76          HD3       PRO  76   0.760   5.105  -7.245
  621    H    ASP  77           HN       ASP  77   3.237   7.532  -5.629
  622    HA   ASP  77           HA       ASP  77   5.352   8.009  -3.757
  623   1HB   ASP  77          HB2       ASP  77   6.309   8.012  -6.238
  624   2HB   ASP  77          HB3       ASP  77   5.594   9.622  -6.265
  625    HA   PRO  78           HA       PRO  78   1.814  10.768  -3.106
  626   1HB   PRO  78          HB2       PRO  78   2.666  11.569  -0.610
  627   2HB   PRO  78          HB3       PRO  78   1.656  10.156  -0.921
  628   1HG   PRO  78          HG2       PRO  78   4.581  10.318  -0.403
  629   2HG   PRO  78          HG3       PRO  78   3.416   9.084   0.099
  630   1HD   PRO  78          HD2       PRO  78   5.151   8.720  -1.957
  631   2HD   PRO  78          HD3       PRO  78   3.548   7.960  -1.900
  632    H    THR  79           HN       THR  79   5.156  11.338  -3.313
  633    HA   THR  79           HA       THR  79   4.912  14.227  -3.141
  634    HB   THR  79           HB       THR  79   7.448  13.203  -4.156
  635    HG1  THR  79           HG1      THR  79   7.163  11.387  -2.946
  636   1HG2  THR  79          HG21      THR  79   7.940  14.323  -1.733
  637   2HG2  THR  79          HG22      THR  79   6.408  15.086  -2.154
  638   3HG2  THR  79          HG23      THR  79   7.792  15.234  -3.237
  639    H    VAL  80           HN       VAL  80   4.745  11.764  -5.524
  640    HA   VAL  80           HA       VAL  80   5.198  13.730  -7.678
  641    HB   VAL  80           HB       VAL  80   5.455  10.720  -7.678
  642   1HG1  VAL  80          HG11      VAL  80   4.458  12.189  -9.791
  643   2HG1  VAL  80          HG12      VAL  80   6.174  12.031 -10.170
  644   3HG1  VAL  80          HG13      VAL  80   5.196  10.591  -9.890
  645   1HG2  VAL  80          HG21      VAL  80   7.310  12.988  -7.631
  646   2HG2  VAL  80          HG22      VAL  80   7.540  11.316  -7.113
  647   3HG2  VAL  80          HG23      VAL  80   7.704  11.743  -8.816
  648    H    ASP  81           HN       ASP  81   3.208  10.926  -6.805
  649    HA   ASP  81           HA       ASP  81   1.119  11.783  -8.655
  650   1HB   ASP  81          HB2       ASP  81   1.961   9.326  -8.277
  651   2HB   ASP  81          HB3       ASP  81   0.902   9.376  -6.872
  652    H    LYS  82           HN       LYS  82  -1.160  10.955  -7.360
  653    HA   LYS  82           HA       LYS  82  -1.201  12.666  -4.965
  654   1HB   LYS  82          HB2       LYS  82  -2.773  12.827  -7.439
  655   2HB   LYS  82          HB3       LYS  82  -3.747  12.865  -5.976
  656   1HG   LYS  82          HG2       LYS  82  -3.349  15.074  -6.101
  657   2HG   LYS  82          HG3       LYS  82  -1.838  14.634  -5.303
  658   1HD   LYS  82          HD2       LYS  82  -1.401  14.253  -8.049
  659   2HD   LYS  82          HD3       LYS  82  -2.255  15.790  -7.901
  660   1HE   LYS  82          HE2       LYS  82   0.323  14.980  -6.565
  661   2HE   LYS  82          HE3       LYS  82   0.096  16.235  -7.783
  662   1HZ   LYS  82          HZ1       LYS  82   0.202  17.426  -5.818
  663   2HZ   LYS  82          HZ2       LYS  82  -0.663  16.267  -4.930
  664   3HZ   LYS  82          HZ3       LYS  82  -1.474  17.264  -6.038
  665    H    GLN  83           HN       GLN  83  -1.486  11.351  -3.318
  666    HA   GLN  83           HA       GLN  83  -2.321   8.833  -3.062
  667   1HB   GLN  83          HB2       GLN  83  -2.187  11.092  -1.306
  668   2HB   GLN  83          HB3       GLN  83  -3.610  10.137  -0.910
  669   1HG   GLN  83          HG2       GLN  83  -1.430   8.364  -1.327
  670   2HG   GLN  83          HG3       GLN  83  -0.904   9.651  -0.245
  671   1HE2  GLN  83          HE21      GLN  83  -3.375   7.183  -0.734
  672   2HE2  GLN  83          HE22      GLN  83  -3.746   6.984   0.940
  673    H    ILE  84           HN       ILE  84  -3.986   7.724  -3.770
  674    HA   ILE  84           HA       ILE  84  -6.426   9.034  -4.490
  675    HB   ILE  84           HB       ILE  84  -6.181   6.051  -4.443
  676   1HG1  ILE  84          HG12      ILE  84  -5.337   7.158  -6.980
  677   2HG1  ILE  84          HG13      ILE  84  -4.256   7.675  -5.686
  678   1HG2  ILE  84          HG21      ILE  84  -8.292   7.158  -5.091
  679   2HG2  ILE  84          HG22      ILE  84  -7.443   7.938  -6.425
  680   3HG2  ILE  84          HG23      ILE  84  -7.601   6.182  -6.387
  681   1HD1  ILE  84          HD11      ILE  84  -4.629   5.043  -6.901
  682   2HD1  ILE  84          HD12      ILE  84  -3.222   5.741  -6.099
  683   3HD1  ILE  84          HD13      ILE  84  -4.520   5.033  -5.139
  684    H    LYS  85           HN       LYS  85  -8.326   9.056  -3.338
  685    HA   LYS  85           HA       LYS  85  -8.510   7.281  -1.009
  686   1HB   LYS  85          HB2       LYS  85  -8.162  10.149  -0.946
  687   2HB   LYS  85          HB3       LYS  85  -9.678   9.686  -0.185
  688   1HG   LYS  85          HG2       LYS  85  -8.543   9.199   1.647
  689   2HG   LYS  85          HG3       LYS  85  -7.764   7.882   0.768
  690   1HD   LYS  85          HD2       LYS  85  -5.820   8.940   0.997
  691   2HD   LYS  85          HD3       LYS  85  -6.452  10.239  -0.020
  692   1HE   LYS  85          HE2       LYS  85  -6.497  11.627   1.714
  693   2HE   LYS  85          HE3       LYS  85  -7.511  10.506   2.620
  694   1HZ   LYS  85          HZ1       LYS  85  -4.541  10.450   2.489
  695   2HZ   LYS  85          HZ2       LYS  85  -5.515   9.346   3.351
  696   3HZ   LYS  85          HZ3       LYS  85  -5.476  10.980   3.800
  697    H    ILE  86           HN       ILE  86 -10.484   6.512  -0.583
  698    HA   ILE  86           HA       ILE  86 -12.685   7.285  -2.354
  699    HB   ILE  86           HB       ILE  86 -12.968   5.153  -0.271
  700   1HG1  ILE  86          HG12      ILE  86 -11.947   4.231  -2.884
  701   2HG1  ILE  86          HG13      ILE  86 -10.769   5.041  -1.860
  702   1HG2  ILE  86          HG21      ILE  86 -14.870   5.826  -1.692
  703   2HG2  ILE  86          HG22      ILE  86 -13.957   5.319  -3.114
  704   3HG2  ILE  86          HG23      ILE  86 -14.428   4.131  -1.896
  705   1HD1  ILE  86          HD11      ILE  86 -11.775   2.379  -1.694
  706   2HD1  ILE  86          HD12      ILE  86 -10.474   3.140  -0.776
  707   3HD1  ILE  86          HD13      ILE  86 -12.139   3.245  -0.202
  708    H    GLU  87           HN       GLU  87 -14.812   7.730  -1.387
  709    HA   GLU  87           HA       GLU  87 -14.579   9.485   0.865
  710   1HB   GLU  87          HB2       GLU  87 -16.120   9.981  -0.987
  711   2HB   GLU  87          HB3       GLU  87 -17.046   8.536  -0.608
  712   1HG   GLU  87          HG2       GLU  87 -17.230   9.667   1.758
  713   2HG   GLU  87          HG3       GLU  87 -16.904  11.134   0.836
  714    H    LEU  88           HN       LEU  88 -14.369   8.686   2.837
  715    HA   LEU  88           HA       LEU  88 -16.430   6.834   3.764
  716   1HB   LEU  88          HB2       LEU  88 -14.596   5.347   3.445
  717   2HB   LEU  88          HB3       LEU  88 -13.461   6.482   4.154
  718    HG   LEU  88           HG       LEU  88 -15.449   5.910   6.112
  719   1HD1  LEU  88          HD11      LEU  88 -15.765   3.862   4.643
  720   2HD1  LEU  88          HD12      LEU  88 -14.135   3.392   5.127
  721   3HD1  LEU  88          HD13      LEU  88 -15.400   3.574   6.344
  722   1HD2  LEU  88          HD21      LEU  88 -13.071   6.603   6.429
  723   2HD2  LEU  88          HD22      LEU  88 -13.569   5.232   7.420
  724   3HD2  LEU  88          HD23      LEU  88 -12.586   4.967   5.979
  725    HA   PRO  89           HA       PRO  89 -16.270   9.975   6.964
  726   1HB   PRO  89          HB2       PRO  89 -18.690   9.462   7.996
  727   2HB   PRO  89          HB3       PRO  89 -18.508  10.305   6.455
  728   1HG   PRO  89          HG2       PRO  89 -19.227   7.459   6.985
  729   2HG   PRO  89          HG3       PRO  89 -19.852   8.565   5.750
  730   1HD   PRO  89          HD2       PRO  89 -17.909   6.632   5.320
  731   2HD   PRO  89          HD3       PRO  89 -18.184   8.050   4.290
  732    HA   PRO  90           HA       PRO  90 -14.806   7.482  10.394
  733   1HB   PRO  90          HB2       PRO  90 -15.954   9.700  12.015
  734   2HB   PRO  90          HB3       PRO  90 -14.331   8.999  12.058
  735   1HG   PRO  90          HG2       PRO  90 -14.754  11.374  10.935
  736   2HG   PRO  90          HG3       PRO  90 -13.613  10.219  10.220
  737   1HD   PRO  90          HD2       PRO  90 -16.379  10.937   9.351
  738   2HD   PRO  90          HD3       PRO  90 -14.950  10.550   8.371
  739    H    LYS  91           HN       LYS  91 -17.964   9.020  10.409
  740    HA   LYS  91           HA       LYS  91 -19.247   6.528  10.840
  741   1HB   LYS  91          HB2       LYS  91 -20.534   7.261  12.874
  742   2HB   LYS  91          HB3       LYS  91 -18.838   6.921  13.178
  743   1HG   LYS  91          HG2       LYS  91 -18.723   8.891  14.178
  744   2HG   LYS  91          HG3       LYS  91 -18.905   9.633  12.587
  745   1HD   LYS  91          HD2       LYS  91 -21.489   9.055  13.201
  746   2HD   LYS  91          HD3       LYS  91 -20.824   9.396  14.801
  747   1HE   LYS  91          HE2       LYS  91 -21.808  11.361  13.508
  748   2HE   LYS  91          HE3       LYS  91 -20.199  11.577  14.201
  749   1HZ   LYS  91          HZ1       LYS  91 -19.204  11.484  12.147
  750   2HZ   LYS  91          HZ2       LYS  91 -20.652  12.278  11.762
  751   3HZ   LYS  91          HZ3       LYS  91 -20.476  10.625  11.426
  Start of MODEL    7
    1   1H    GLY   1          H1        GLY   1  11.808  -5.069   8.962
    2   2H    GLY   1          H2        GLY   1  12.619  -6.283   8.097
    3   3H    GLY   1          H3        GLY   1  12.958  -4.655   7.787
    4   1HA   GLY   1          HA2       GLY   1  14.421  -4.505   9.435
    5   2HA   GLY   1          HA1       GLY   1  13.328  -5.326  10.540
    6    H    SER   2           HN       SER   2  14.603  -6.840  11.458
    7    HA   SER   2           HA       SER   2  16.594  -8.343  10.191
    8   1HB   SER   2          HB2       SER   2  15.110  -9.696  12.356
    9   2HB   SER   2          HB3       SER   2  16.830  -9.323  12.224
   10    HG   SER   2           HG       SER   2  16.447  -7.752  13.546
   11    H    MET   3           HN       MET   3  13.138  -8.836  10.544
   12    HA   MET   3           HA       MET   3  13.178 -11.318   9.053
   13   1HB   MET   3          HB2       MET   3  11.437 -11.261  10.623
   14   2HB   MET   3          HB3       MET   3  11.044  -9.586  10.268
   15   1HG   MET   3          HG2       MET   3  10.583 -10.942   7.884
   16   2HG   MET   3          HG3       MET   3   9.970 -12.012   9.143
   17   1HE   MET   3          HE1       MET   3   7.401 -11.406  10.398
   18   2HE   MET   3          HE2       MET   3   8.875 -10.910  11.230
   19   3HE   MET   3          HE3       MET   3   7.523  -9.786  11.082
   20    HA   PRO   4           HA       PRO   4  13.419  -9.171   5.196
   21   1HB   PRO   4          HB2       PRO   4  12.775 -11.267   3.571
   22   2HB   PRO   4          HB3       PRO   4  14.365 -11.054   4.314
   23   1HG   PRO   4          HG2       PRO   4  12.083 -12.782   5.178
   24   2HG   PRO   4          HG3       PRO   4  13.816 -13.153   5.137
   25   1HD   PRO   4          HD2       PRO   4  12.543 -12.487   7.421
   26   2HD   PRO   4          HD3       PRO   4  14.231 -12.030   7.113
   27    H    THR   5           HN       THR   5  11.550  -7.847   5.689
   28    HA   THR   5           HA       THR   5   9.069  -8.742   4.390
   29    HB   THR   5           HB       THR   5   9.030  -6.073   5.580
   30    HG1  THR   5           HG1      THR   5  10.179  -8.159   6.991
   31   1HG2  THR   5          HG21      THR   5   6.951  -7.020   5.126
   32   2HG2  THR   5          HG22      THR   5   7.123  -7.270   6.864
   33   3HG2  THR   5          HG23      THR   5   7.424  -8.600   5.746
   34    H    THR   6           HN       THR   6   8.632  -8.029   2.370
   35    HA   THR   6           HA       THR   6  10.001  -5.605   1.441
   36    HB   THR   6           HB       THR   6   9.726  -7.833  -0.507
   37    HG1  THR   6           HG1      THR   6  10.881  -8.302   1.777
   38   1HG2  THR   6          HG21      THR   6  12.254  -6.640  -0.611
   39   2HG2  THR   6          HG22      THR   6  11.140  -5.326  -0.235
   40   3HG2  THR   6          HG23      THR   6  10.881  -6.316  -1.671
   41    H    CYS   7           HN       CYS   7   9.080  -4.660  -0.458
   42    HA   CYS   7           HA       CYS   7   6.348  -4.257  -0.281
   43   1HB   CYS   7          HB2       CYS   7   8.314  -2.912  -1.417
   44   2HB   CYS   7          HB3       CYS   7   7.742  -3.746  -2.858
   45    H    GLY   8           HN       GLY   8   4.658  -4.682  -1.620
   46   1HA   GLY   8          HA1       GLY   8   4.914  -6.990  -3.423
   47   2HA   GLY   8          HA2       GLY   8   3.406  -6.354  -2.773
   48    H    PHE   9           HN       PHE   9   5.079  -3.695  -3.473
   49    HA   PHE   9           HA       PHE   9   3.610  -3.069  -5.838
   50   1HB   PHE   9          HB2       PHE   9   5.310  -1.688  -3.955
   51   2HB   PHE   9          HB3       PHE   9   5.786  -1.281  -5.596
   52    HD1  PHE   9           HD1      PHE   9   4.364   0.011  -7.018
   53    HD2  PHE   9           HD2      PHE   9   3.101  -1.105  -3.114
   54    HE1  PHE   9           HE1      PHE   9   2.538   1.656  -7.146
   55    HE2  PHE   9           HE2      PHE   9   1.271   0.536  -3.230
   56    HZ   PHE   9           HZ       PHE   9   0.988   1.921  -5.249
   57    HA   PRO  10           HA       PRO  10   6.369  -4.777  -8.867
   58   1HB   PRO  10          HB2       PRO  10   5.801  -3.046 -10.929
   59   2HB   PRO  10          HB3       PRO  10   4.812  -4.447 -10.506
   60   1HG   PRO  10          HG2       PRO  10   4.418  -1.569  -9.808
   61   2HG   PRO  10          HG3       PRO  10   3.217  -2.789 -10.271
   62   1HD   PRO  10          HD2       PRO  10   3.575  -2.043  -7.707
   63   2HD   PRO  10          HD3       PRO  10   3.143  -3.706  -8.152
   64    H    ASN  11           HN       ASN  11   6.368  -1.455  -7.950
   65    HA   ASN  11           HA       ASN  11   9.226  -1.266  -8.428
   66   1HB   ASN  11          HB2       ASN  11   8.044  -0.470 -10.524
   67   2HB   ASN  11          HB3       ASN  11   7.390   0.850  -9.560
   68   1HD2  ASN  11          HD21      ASN  11   8.421   2.468 -10.653
   69   2HD2  ASN  11          HD22      ASN  11  10.141   2.704 -10.595
   70    H    CYS  12           HN       CYS  12   9.079  -1.298  -6.058
   71    HA   CYS  12           HA       CYS  12   8.014   0.993  -4.703
   72   1HB   CYS  12          HB2       CYS  12   8.334  -1.277  -3.644
   73   2HB   CYS  12          HB3       CYS  12  10.068  -0.972  -3.665
   74    H    LYS  13           HN       LYS  13   8.880   2.847  -5.492
   75    HA   LYS  13           HA       LYS  13  11.684   3.094  -6.060
   76   1HB   LYS  13          HB2       LYS  13  11.137   5.429  -6.633
   77   2HB   LYS  13          HB3       LYS  13  10.101   4.269  -7.452
   78   1HG   LYS  13          HG2       LYS  13   8.740   4.893  -5.111
   79   2HG   LYS  13          HG3       LYS  13   9.407   6.428  -5.673
   80   1HD   LYS  13          HD2       LYS  13   7.684   4.519  -7.249
   81   2HD   LYS  13          HD3       LYS  13   7.212   6.101  -6.626
   82   1HE   LYS  13          HE2       LYS  13   9.570   5.921  -8.439
   83   2HE   LYS  13          HE3       LYS  13   7.959   5.771  -9.136
   84   1HZ   LYS  13          HZ1       LYS  13   9.262   8.102  -8.594
   85   2HZ   LYS  13          HZ2       LYS  13   8.158   7.971  -7.313
   86   3HZ   LYS  13          HZ3       LYS  13   7.603   7.937  -8.919
   87    H    PHE  14           HN       PHE  14  10.260   2.911  -3.201
   88    HA   PHE  14           HA       PHE  14  11.645   5.135  -1.932
   89   1HB   PHE  14          HB2       PHE  14   9.674   3.081  -1.006
   90   2HB   PHE  14          HB3       PHE  14  10.693   3.891   0.184
   91    HD1  PHE  14           HD1      PHE  14   8.410   4.612  -2.659
   92    HD2  PHE  14           HD2      PHE  14  10.027   5.946   1.049
   93    HE1  PHE  14           HE1      PHE  14   6.903   6.555  -2.708
   94    HE2  PHE  14           HE2      PHE  14   8.521   7.891   1.002
   95    HZ   PHE  14           HZ       PHE  14   6.958   8.197  -0.877
   96    H    ARG  15           HN       ARG  15  11.874   1.661  -2.297
   97    HA   ARG  15           HA       ARG  15  14.087   1.232  -0.611
   98   1HB   ARG  15          HB2       ARG  15  13.206  -0.773  -1.266
   99   2HB   ARG  15          HB3       ARG  15  12.789  -0.189  -2.869
  100   1HG   ARG  15          HG2       ARG  15  15.335  -0.243  -3.298
  101   2HG   ARG  15          HG3       ARG  15  15.388  -1.289  -1.878
  102   1HD   ARG  15          HD2       ARG  15  13.350  -1.952  -3.907
  103   2HD   ARG  15          HD3       ARG  15  15.030  -2.189  -4.390
  104    HE   ARG  15           HE       ARG  15  14.866  -3.359  -1.925
  105   1HH1  ARG  15          HH12      ARG  15  13.140  -3.739  -4.942
  106   2HH1  ARG  15          HH11      ARG  15  12.749  -5.407  -4.671
  107   1HH2  ARG  15          HH22      ARG  15  14.387  -5.559  -1.555
  108   2HH2  ARG  15          HH21      ARG  15  13.509  -6.472  -2.755
  109    H    SER  16           HN       SER  16  13.772   2.376  -3.912
  110    HA   SER  16           HA       SER  16  16.625   2.520  -4.343
  111   1HB   SER  16          HB2       SER  16  15.223   4.026  -6.293
  112   2HB   SER  16          HB3       SER  16  15.908   2.410  -6.467
  113    HG   SER  16           HG       SER  16  13.666   2.402  -6.909
  114    H    ARG  17           HN       ARG  17  14.405   4.355  -2.692
  115    HA   ARG  17           HA       ARG  17  15.351   6.981  -3.386
  116   1HB   ARG  17          HB2       ARG  17  13.026   6.368  -2.502
  117   2HB   ARG  17          HB3       ARG  17  13.781   6.237  -0.919
  118   1HG   ARG  17          HG2       ARG  17  13.900   8.460  -0.659
  119   2HG   ARG  17          HG3       ARG  17  14.351   8.735  -2.344
  120   1HD   ARG  17          HD2       ARG  17  11.567   8.035  -1.426
  121   2HD   ARG  17          HD3       ARG  17  12.133   9.682  -1.703
  122    HE   ARG  17           HE       ARG  17  12.681   8.263  -4.017
  123   1HH1  ARG  17          HH12      ARG  17   9.824   9.167  -2.192
  124   2HH1  ARG  17          HH11      ARG  17   8.801   9.229  -3.594
  125   1HH2  ARG  17          HH22      ARG  17  11.363   8.345  -5.836
  126   2HH2  ARG  17          HH21      ARG  17   9.671   8.757  -5.674
  127    H    TYR  18           HN       TYR  18  15.783   4.711  -0.718
  128    HA   TYR  18           HA       TYR  18  17.760   6.505   0.484
  129   1HB   TYR  18          HB2       TYR  18  16.753   3.934   1.688
  130   2HB   TYR  18          HB3       TYR  18  17.473   5.315   2.507
  131    HD1  TYR  18           HD1      TYR  18  16.038   7.606   1.831
  132    HD2  TYR  18           HD2      TYR  18  14.524   3.646   2.192
  133    HE1  TYR  18           HE1      TYR  18  13.794   8.510   2.266
  134    HE2  TYR  18           HE2      TYR  18  12.275   4.540   2.620
  135    HH   TYR  18           HH       TYR  18  11.687   7.771   3.382
  136    H    ARG  19           HN       ARG  19  19.604   5.167   1.617
  137    HA   ARG  19           HA       ARG  19  20.716   3.388  -0.454
  138   1HB   ARG  19          HB2       ARG  19  21.749   5.781   0.716
  139   2HB   ARG  19          HB3       ARG  19  22.789   4.442   1.179
  140   1HG   ARG  19          HG2       ARG  19  23.323   5.733  -0.973
  141   2HG   ARG  19          HG3       ARG  19  23.377   3.971  -1.011
  142   1HD   ARG  19          HD2       ARG  19  20.751   4.555  -1.639
  143   2HD   ARG  19          HD3       ARG  19  21.665   5.816  -2.466
  144    HE   ARG  19           HE       ARG  19  22.860   4.114  -3.657
  145   1HH1  ARG  19          HH12      ARG  19  20.013   3.034  -1.912
  146   2HH1  ARG  19          HH11      ARG  19  19.935   1.511  -2.739
  147   1HH2  ARG  19          HH22      ARG  19  22.719   2.125  -4.778
  148   2HH2  ARG  19          HH21      ARG  19  21.459   0.994  -4.364
  149    H    GLY  20           HN       GLY  20  20.049   1.448   0.425
  150   1HA   GLY  20          HA1       GLY  20  20.817  -0.451   1.621
  151   2HA   GLY  20          HA2       GLY  20  21.564   0.621   2.799
  152    H    LEU  21           HN       LEU  21  18.615   1.842   2.161
  153    HA   LEU  21           HA       LEU  21  17.333   0.374   4.362
  154   1HB   LEU  21          HB2       LEU  21  16.954   3.289   3.652
  155   2HB   LEU  21          HB3       LEU  21  16.220   2.439   4.997
  156    HG   LEU  21           HG       LEU  21  18.958   2.087   5.383
  157   1HD1  LEU  21          HD11      LEU  21  19.953   3.723   4.224
  158   2HD1  LEU  21          HD12      LEU  21  18.433   4.565   3.927
  159   3HD1  LEU  21          HD13      LEU  21  19.286   4.800   5.452
  160   1HD2  LEU  21          HD21      LEU  21  18.530   3.855   7.195
  161   2HD2  LEU  21          HD22      LEU  21  16.873   3.869   6.593
  162   3HD2  LEU  21          HD23      LEU  21  17.566   2.378   7.231
  163    H    GLU  22           HN       GLU  22  16.165  -0.995   3.165
  164    HA   GLU  22           HA       GLU  22  14.784  -0.572   0.825
  165   1HB   GLU  22          HB2       GLU  22  15.113  -2.691   2.401
  166   2HB   GLU  22          HB3       GLU  22  13.493  -2.243   2.911
  167   1HG   GLU  22          HG2       GLU  22  12.774  -3.479   1.223
  168   2HG   GLU  22          HG3       GLU  22  13.318  -2.171   0.174
  169    H    ASP  23           HN       ASP  23  13.554  -0.393   4.042
  170    HA   ASP  23           HA       ASP  23  12.135   1.984   3.857
  171   1HB   ASP  23          HB2       ASP  23  10.741   0.438   2.292
  172   2HB   ASP  23          HB3       ASP  23  10.199  -0.326   3.788
  173    H    ASN  24           HN       ASN  24  11.520  -1.266   5.080
  174    HA   ASN  24           HA       ASN  24  11.278  -2.148   7.155
  175   1HB   ASN  24          HB2       ASN  24  13.446  -0.108   7.615
  176   2HB   ASN  24          HB3       ASN  24  12.925  -1.220   8.876
  177   1HD2  ASN  24          HD21      ASN  24  15.447  -0.869   7.244
  178   2HD2  ASN  24          HD22      ASN  24  15.786  -2.472   6.667
  179    H    ARG  25           HN       ARG  25   9.458   0.043   6.480
  180    HA   ARG  25           HA       ARG  25   8.952   1.294   9.063
  181   1HB   ARG  25          HB2       ARG  25   8.002   1.655   6.284
  182   2HB   ARG  25          HB3       ARG  25   6.813   1.965   7.540
  183   1HG   ARG  25          HG2       ARG  25   8.162   3.665   8.511
  184   2HG   ARG  25          HG3       ARG  25   9.534   3.243   7.481
  185   1HD   ARG  25          HD2       ARG  25   6.929   4.058   6.258
  186   2HD   ARG  25          HD3       ARG  25   8.039   5.283   6.868
  187    HE   ARG  25           HE       ARG  25   8.738   3.320   4.772
  188   1HH1  ARG  25          HH12      ARG  25   8.949   6.520   6.209
  189   2HH1  ARG  25          HH11      ARG  25   9.958   7.159   4.940
  190   1HH2  ARG  25          HH22      ARG  25  10.041   4.138   3.114
  191   2HH2  ARG  25          HH21      ARG  25  10.584   5.802   3.171
  192    H    HIS  26           HN       HIS  26   5.984   1.124   8.159
  193    HA   HIS  26           HA       HIS  26   5.455  -1.423   9.523
  194   1HB   HIS  26          HB2       HIS  26   3.682   0.982   9.034
  195   2HB   HIS  26          HB3       HIS  26   3.137  -0.501   9.800
  196    HD2  HIS  26           HD2      HIS  26   4.212   2.826  10.848
  197    HE1  HIS  26           HE1      HIS  26   5.561   0.255  13.922
  198    HE2  HIS  26           HE2      HIS  26   5.342   2.669  13.183
  199    H    PHE  27           HN       PHE  27   5.356  -3.016   8.062
  200    HA   PHE  27           HA       PHE  27   4.412  -2.513   5.383
  201   1HB   PHE  27          HB2       PHE  27   5.518  -4.915   6.807
  202   2HB   PHE  27          HB3       PHE  27   4.759  -5.081   5.225
  203    HD1  PHE  27           HD1      PHE  27   5.976  -4.664   3.289
  204    HD2  PHE  27           HD2      PHE  27   7.431  -3.233   7.023
  205    HE1  PHE  27           HE1      PHE  27   8.078  -3.990   2.205
  206    HE2  PHE  27           HE2      PHE  27   9.534  -2.549   5.945
  207    HZ   PHE  27           HZ       PHE  27   9.859  -2.930   3.535
  208    H    TYR  28           HN       TYR  28   2.348  -2.293   5.048
  209    HA   TYR  28           HA       TYR  28   0.415  -3.271   6.939
  210   1HB   TYR  28          HB2       TYR  28   0.242  -1.622   4.425
  211   2HB   TYR  28          HB3       TYR  28  -1.194  -2.152   5.292
  212    HD1  TYR  28           HD1      TYR  28  -0.271   0.708   4.725
  213    HD2  TYR  28           HD2      TYR  28   0.216  -1.845   8.091
  214    HE1  TYR  28           HE1      TYR  28  -0.125   2.674   6.186
  215    HE2  TYR  28           HE2      TYR  28   0.368   0.117   9.563
  216    HH   TYR  28           HH       TYR  28   0.706   3.323   8.329
  217    H    ARG  29           HN       ARG  29  -1.311  -4.615   6.548
  218    HA   ARG  29           HA       ARG  29  -1.118  -6.387   4.218
  219   1HB   ARG  29          HB2       ARG  29  -1.892  -6.783   6.919
  220   2HB   ARG  29          HB3       ARG  29  -3.350  -6.966   5.954
  221   1HG   ARG  29          HG2       ARG  29  -0.777  -8.503   5.653
  222   2HG   ARG  29          HG3       ARG  29  -2.318  -9.111   6.256
  223   1HD   ARG  29          HD2       ARG  29  -2.991  -8.076   3.803
  224   2HD   ARG  29          HD3       ARG  29  -1.387  -8.744   3.513
  225    HE   ARG  29           HE       ARG  29  -3.820 -10.209   4.138
  226   1HH1  ARG  29          HH12      ARG  29  -0.326 -10.327   3.878
  227   2HH1  ARG  29          HH11      ARG  29  -0.273 -12.049   3.652
  228   1HH2  ARG  29          HH22      ARG  29  -3.747 -12.466   3.837
  229   2HH2  ARG  29          HH21      ARG  29  -2.219 -13.261   3.631
  230    H    ILE  30           HN       ILE  30  -2.725  -6.416   2.657
  231    HA   ILE  30           HA       ILE  30  -4.124  -4.013   2.213
  232    HB   ILE  30           HB       ILE  30  -4.445  -6.716   0.900
  233   1HG1  ILE  30          HG12      ILE  30  -3.314  -4.875  -0.873
  234   2HG1  ILE  30          HG13      ILE  30  -2.513  -4.561   0.664
  235   1HG2  ILE  30          HG21      ILE  30  -5.927  -5.874  -0.603
  236   2HG2  ILE  30          HG22      ILE  30  -6.347  -4.853   0.772
  237   3HG2  ILE  30          HG23      ILE  30  -5.280  -4.237  -0.490
  238   1HD1  ILE  30          HD11      ILE  30  -2.499  -7.034  -1.007
  239   2HD1  ILE  30          HD12      ILE  30  -1.148  -6.132  -0.321
  240   3HD1  ILE  30          HD13      ILE  30  -2.166  -7.123   0.724
  241    HA   PRO  31           HA       PRO  31  -7.583  -4.741   5.026
  242   1HB   PRO  31          HB2       PRO  31  -8.488  -2.354   3.463
  243   2HB   PRO  31          HB3       PRO  31  -8.491  -2.619   5.215
  244   1HG   PRO  31          HG2       PRO  31  -6.657  -1.050   4.140
  245   2HG   PRO  31          HG3       PRO  31  -6.197  -2.214   5.401
  246   1HD   PRO  31          HD2       PRO  31  -5.820  -2.395   2.437
  247   2HD   PRO  31          HD3       PRO  31  -4.701  -2.836   3.744
  248    H    LYS  32           HN       LYS  32  -8.736  -6.462   4.385
  249    HA   LYS  32           HA       LYS  32  -9.876  -6.585   1.720
  250   1HB   LYS  32          HB2       LYS  32  -8.716  -8.485   3.120
  251   2HB   LYS  32          HB3       LYS  32 -10.317  -8.674   3.817
  252   1HG   LYS  32          HG2       LYS  32 -11.260  -9.194   1.689
  253   2HG   LYS  32          HG3       LYS  32  -9.749  -8.789   0.867
  254   1HD   LYS  32          HD2       LYS  32  -9.872 -11.174   1.023
  255   2HD   LYS  32          HD3       LYS  32  -8.649 -10.621   2.168
  256   1HE   LYS  32          HE2       LYS  32  -9.869 -12.198   3.378
  257   2HE   LYS  32          HE3       LYS  32 -10.540 -10.653   3.901
  258   1HZ   LYS  32          HZ1       LYS  32 -12.079 -12.632   3.198
  259   2HZ   LYS  32          HZ2       LYS  32 -11.805 -12.025   1.640
  260   3HZ   LYS  32          HZ3       LYS  32 -12.498 -11.030   2.827
  261    H    ARG  33           HN       ARG  33 -10.821  -4.936   4.184
  262    HA   ARG  33           HA       ARG  33 -13.668  -5.380   3.717
  263   1HB   ARG  33          HB2       ARG  33 -12.253  -5.855   6.256
  264   2HB   ARG  33          HB3       ARG  33 -13.687  -4.846   6.398
  265   1HG   ARG  33          HG2       ARG  33 -14.893  -6.704   6.456
  266   2HG   ARG  33          HG3       ARG  33 -14.448  -6.983   4.770
  267   1HD   ARG  33          HD2       ARG  33 -13.316  -8.792   5.376
  268   2HD   ARG  33          HD3       ARG  33 -12.263  -7.794   6.375
  269    HE   ARG  33           HE       ARG  33 -14.742  -8.418   7.672
  270   1HH1  ARG  33          HH12      ARG  33 -11.521  -9.622   6.962
  271   2HH1  ARG  33          HH11      ARG  33 -11.489 -10.702   8.325
  272   1HH2  ARG  33          HH22      ARG  33 -14.706  -9.862   9.450
  273   2HH2  ARG  33          HH21      ARG  33 -13.296 -10.842   9.741
  274    HA   PRO  34           HA       PRO  34 -15.178  -4.492   3.169
  275   1HB   PRO  34          HB2       PRO  34 -16.200  -2.767   1.380
  276   2HB   PRO  34          HB3       PRO  34 -16.652  -2.718   3.089
  277   1HG   PRO  34          HG2       PRO  34 -14.724  -0.996   1.586
  278   2HG   PRO  34          HG3       PRO  34 -15.905  -0.538   2.827
  279   1HD   PRO  34          HD2       PRO  34 -13.224  -0.905   3.307
  280   2HD   PRO  34          HD3       PRO  34 -14.490  -1.074   4.539
  281    H    LEU  35           HN       LEU  35 -15.613  -5.067   0.808
  282    HA   LEU  35           HA       LEU  35 -13.129  -5.863  -0.305
  283   1HB   LEU  35          HB2       LEU  35 -15.545  -6.926  -0.410
  284   2HB   LEU  35          HB3       LEU  35 -15.650  -5.997  -1.892
  285    HG   LEU  35           HG       LEU  35 -13.180  -7.403  -1.931
  286   1HD1  LEU  35          HD11      LEU  35 -13.655  -9.192  -0.662
  287   2HD1  LEU  35          HD12      LEU  35 -15.388  -8.870  -0.678
  288   3HD1  LEU  35          HD13      LEU  35 -14.633  -9.695  -2.041
  289   1HD2  LEU  35          HD21      LEU  35 -14.820  -8.654  -3.724
  290   2HD2  LEU  35          HD22      LEU  35 -15.615  -7.093  -3.519
  291   3HD2  LEU  35          HD23      LEU  35 -13.928  -7.164  -4.028
  292    H    ILE  36           HN       ILE  36 -15.482  -3.377  -1.205
  293    HA   ILE  36           HA       ILE  36 -14.319  -2.786  -3.720
  294    HB   ILE  36           HB       ILE  36 -16.240  -1.328  -1.937
  295   1HG1  ILE  36          HG12      ILE  36 -17.320  -2.971  -3.197
  296   2HG1  ILE  36          HG13      ILE  36 -17.566  -1.518  -4.160
  297   1HG2  ILE  36          HG21      ILE  36 -15.406   0.624  -2.711
  298   2HG2  ILE  36          HG22      ILE  36 -14.624  -0.130  -4.099
  299   3HG2  ILE  36          HG23      ILE  36 -16.354   0.211  -4.140
  300   1HD1  ILE  36          HD11      ILE  36 -16.969  -3.121  -5.723
  301   2HD1  ILE  36          HD12      ILE  36 -15.455  -2.267  -5.425
  302   3HD1  ILE  36          HD13      ILE  36 -15.745  -3.835  -4.673
  303    H    LEU  37           HN       LEU  37 -13.751  -1.544  -0.474
  304    HA   LEU  37           HA       LEU  37 -11.996   0.543  -1.155
  305   1HB   LEU  37          HB2       LEU  37 -12.686   0.602   1.055
  306   2HB   LEU  37          HB3       LEU  37 -12.453  -1.120   1.284
  307    HG   LEU  37           HG       LEU  37  -9.894  -0.080   0.795
  308   1HD1  LEU  37          HD11      LEU  37  -9.886   1.514   2.842
  309   2HD1  LEU  37          HD12      LEU  37 -10.351   2.129   1.256
  310   3HD1  LEU  37          HD13      LEU  37 -11.592   1.737   2.448
  311   1HD2  LEU  37          HD21      LEU  37 -11.127  -0.755   3.456
  312   2HD2  LEU  37          HD22      LEU  37 -10.618  -1.961   2.273
  313   3HD2  LEU  37          HD23      LEU  37  -9.430  -0.872   2.989
  314    H    ARG  38           HN       ARG  38 -11.446  -2.887  -0.485
  315    HA   ARG  38           HA       ARG  38  -8.643  -2.817  -0.816
  316   1HB   ARG  38          HB2       ARG  38  -8.878  -4.884  -0.031
  317   2HB   ARG  38          HB3       ARG  38 -10.617  -4.768  -0.214
  318   1HG   ARG  38          HG2       ARG  38 -10.361  -5.574  -2.555
  319   2HG   ARG  38          HG3       ARG  38  -8.643  -5.823  -2.223
  320   1HD   ARG  38          HD2       ARG  38  -9.105  -7.444  -0.568
  321   2HD   ARG  38          HD3       ARG  38 -10.817  -7.031  -0.536
  322    HE   ARG  38           HE       ARG  38 -10.898  -7.974  -2.851
  323   1HH1  ARG  38          HH12      ARG  38  -8.342  -8.976  -0.664
  324   2HH1  ARG  38          HH11      ARG  38  -8.195 -10.555  -1.371
  325   1HH2  ARG  38          HH22      ARG  38 -10.711 -10.038  -3.751
  326   2HH2  ARG  38          HH21      ARG  38  -9.538 -11.164  -3.109
  327    H    GLN  39           HN       GLN  39 -11.319  -3.266  -3.060
  328    HA   GLN  39           HA       GLN  39  -9.891  -4.064  -5.323
  329   1HB   GLN  39          HB2       GLN  39 -12.515  -3.481  -4.755
  330   2HB   GLN  39          HB3       GLN  39 -12.077  -2.183  -5.857
  331   1HG   GLN  39          HG2       GLN  39 -13.081  -4.186  -6.941
  332   2HG   GLN  39          HG3       GLN  39 -11.503  -3.718  -7.572
  333   1HE2  GLN  39          HE21      GLN  39 -13.059  -5.915  -5.277
  334   2HE2  GLN  39          HE22      GLN  39 -11.918  -7.204  -5.465
  335    H    ARG  40           HN       ARG  40 -10.464  -0.859  -3.974
  336    HA   ARG  40           HA       ARG  40  -9.165   0.515  -6.141
  337   1HB   ARG  40          HB2       ARG  40 -10.094   1.396  -3.410
  338   2HB   ARG  40          HB3       ARG  40  -9.282   2.477  -4.532
  339   1HG   ARG  40          HG2       ARG  40 -11.643   0.985  -5.518
  340   2HG   ARG  40          HG3       ARG  40 -11.907   2.307  -4.381
  341   1HD   ARG  40          HD2       ARG  40 -10.214   3.520  -6.056
  342   2HD   ARG  40          HD3       ARG  40 -10.935   2.367  -7.179
  343    HE   ARG  40           HE       ARG  40 -13.118   3.321  -6.567
  344   1HH1  ARG  40          HH12      ARG  40 -10.207   5.200  -6.036
  345   2HH1  ARG  40          HH11      ARG  40 -11.045   6.724  -5.945
  346   1HH2  ARG  40          HH22      ARG  40 -14.227   5.328  -6.498
  347   2HH2  ARG  40          HH21      ARG  40 -13.337   6.794  -6.194
  348    H    TRP  41           HN       TRP  41  -8.241  -0.817  -3.064
  349    HA   TRP  41           HA       TRP  41  -5.793   0.469  -2.634
  350   1HB   TRP  41          HB2       TRP  41  -7.181  -1.886  -1.641
  351   2HB   TRP  41          HB3       TRP  41  -5.445  -2.157  -1.745
  352    HD1  TRP  41           HD1      TRP  41  -7.742   0.658  -0.350
  353    HE1  TRP  41           HE1      TRP  41  -6.708   1.478   1.862
  354    HE3  TRP  41           HE3      TRP  41  -3.588  -2.329  -0.225
  355    HZ2  TRP  41           HZ2      TRP  41  -4.451   0.923   3.449
  356    HZ3  TRP  41           HZ3      TRP  41  -2.051  -2.120   1.679
  357    HH2  TRP  41           HH2      TRP  41  -2.471  -0.525   3.472
  358    H    LEU  42           HN       LEU  42  -6.687  -2.132  -4.759
  359    HA   LEU  42           HA       LEU  42  -3.979  -2.917  -5.339
  360   1HB   LEU  42          HB2       LEU  42  -6.209  -3.734  -7.114
  361   2HB   LEU  42          HB3       LEU  42  -4.861  -4.671  -6.501
  362    HG   LEU  42           HG       LEU  42  -7.275  -3.866  -4.880
  363   1HD1  LEU  42          HD11      LEU  42  -6.605  -6.618  -5.878
  364   2HD1  LEU  42          HD12      LEU  42  -8.106  -6.046  -5.150
  365   3HD1  LEU  42          HD13      LEU  42  -7.653  -5.514  -6.768
  366   1HD2  LEU  42          HD21      LEU  42  -5.773  -4.231  -3.231
  367   2HD2  LEU  42          HD22      LEU  42  -6.185  -5.916  -3.553
  368   3HD2  LEU  42          HD23      LEU  42  -4.725  -5.216  -4.252
  369    H    THR  43           HN       THR  43  -6.066  -0.508  -6.434
  370    HA   THR  43           HA       THR  43  -5.696  -0.374  -9.161
  371    HB   THR  43           HB       THR  43  -6.325   1.640  -7.048
  372    HG1  THR  43           HG1      THR  43  -7.580   0.278  -9.139
  373   1HG2  THR  43          HG21      THR  43  -4.903   2.439  -9.323
  374   2HG2  THR  43          HG22      THR  43  -5.831   3.471  -8.234
  375   3HG2  THR  43          HG23      THR  43  -6.589   2.805  -9.682
  376    H    ALA  44           HN       ALA  44  -3.612   1.053  -6.632
  377    HA   ALA  44           HA       ALA  44  -1.934   2.326  -8.582
  378   1HB   ALA  44          HB1       ALA  44  -2.377   3.196  -6.268
  379   2HB   ALA  44          HB2       ALA  44  -1.297   1.933  -5.675
  380   3HB   ALA  44          HB3       ALA  44  -0.686   3.174  -6.769
  381    H    ILE  45           HN       ILE  45  -1.932  -0.719  -6.924
  382    HA   ILE  45           HA       ILE  45   0.839  -1.292  -7.535
  383    HB   ILE  45           HB       ILE  45  -0.532  -3.690  -6.884
  384   1HG1  ILE  45          HG12      ILE  45  -1.329  -1.319  -5.202
  385   2HG1  ILE  45          HG13      ILE  45  -2.378  -2.494  -5.976
  386   1HG2  ILE  45          HG21      ILE  45   1.149  -2.038  -5.029
  387   2HG2  ILE  45          HG22      ILE  45   1.000  -3.793  -5.107
  388   3HG2  ILE  45          HG23      ILE  45   1.827  -2.920  -6.398
  389   1HD1  ILE  45          HD11      ILE  45  -0.671  -2.843  -3.539
  390   2HD1  ILE  45          HD12      ILE  45  -2.416  -3.029  -3.701
  391   3HD1  ILE  45          HD13      ILE  45  -1.331  -4.216  -4.428
  392    H    GLY  46           HN       GLY  46  -2.070  -1.378  -9.190
  393   1HA   GLY  46          HA1       GLY  46  -2.763  -2.338 -11.151
  394   2HA   GLY  46          HA2       GLY  46  -1.068  -2.690 -11.477
  395    H    ARG  47           HN       ARG  47  -3.166  -3.785  -8.847
  396    HA   ARG  47           HA       ARG  47  -2.608  -6.555  -9.696
  397   1HB   ARG  47          HB2       ARG  47  -2.912  -5.440  -6.899
  398   2HB   ARG  47          HB3       ARG  47  -2.772  -7.151  -7.278
  399   1HG   ARG  47          HG2       ARG  47  -0.679  -5.135  -8.030
  400   2HG   ARG  47          HG3       ARG  47  -0.671  -6.017  -6.501
  401   1HD   ARG  47          HD2       ARG  47   0.632  -7.409  -7.749
  402   2HD   ARG  47          HD3       ARG  47  -0.952  -8.091  -8.100
  403    HE   ARG  47           HE       ARG  47  -0.669  -6.265 -10.061
  404   1HH1  ARG  47          HH12      ARG  47   1.469  -8.777  -8.899
  405   2HH1  ARG  47          HH11      ARG  47   2.165  -9.084 -10.460
  406   1HH2  ARG  47          HH22      ARG  47   0.229  -6.663 -12.104
  407   2HH2  ARG  47          HH21      ARG  47   1.431  -7.902 -12.295
  408    H    THR  48           HN       THR  48  -4.226  -8.138  -9.147
  409    HA   THR  48           HA       THR  48  -6.875  -7.026  -8.528
  410    HB   THR  48           HB       THR  48  -6.989  -9.647  -9.771
  411    HG1  THR  48           HG1      THR  48  -6.001  -9.261 -11.631
  412   1HG2  THR  48          HG21      THR  48  -8.131  -6.948 -10.507
  413   2HG2  THR  48          HG22      THR  48  -8.915  -8.181  -9.518
  414   3HG2  THR  48          HG23      THR  48  -8.609  -8.484 -11.229
  415    H    GLU  49           HN       GLU  49  -8.192  -9.343  -7.946
  416    HA   GLU  49           HA       GLU  49  -7.591  -9.590  -5.232
  417   1HB   GLU  49          HB2       GLU  49  -9.129 -11.687  -6.738
  418   2HB   GLU  49          HB3       GLU  49  -9.399 -11.072  -5.112
  419   1HG   GLU  49          HG2       GLU  49  -9.726  -8.831  -6.653
  420   2HG   GLU  49          HG3       GLU  49 -10.398 -10.103  -7.673
  421    H    GLU  50           HN       GLU  50  -6.978 -11.896  -7.874
  422    HA   GLU  50           HA       GLU  50  -5.744 -13.775  -6.060
  423   1HB   GLU  50          HB2       GLU  50  -5.385 -14.079  -8.989
  424   2HB   GLU  50          HB3       GLU  50  -5.825 -15.276  -7.780
  425   1HG   GLU  50          HG2       GLU  50  -7.813 -15.153  -8.826
  426   2HG   GLU  50          HG3       GLU  50  -8.042 -13.790  -7.731
  427    H    THR  51           HN       THR  51  -4.721 -11.113  -7.925
  428    HA   THR  51           HA       THR  51  -1.967 -12.017  -8.157
  429    HB   THR  51           HB       THR  51  -2.304  -9.279  -8.908
  430    HG1  THR  51           HG1      THR  51  -4.106 -10.937 -10.326
  431   1HG2  THR  51          HG21      THR  51  -1.525 -11.850 -10.111
  432   2HG2  THR  51          HG22      THR  51  -0.757 -10.267 -10.225
  433   3HG2  THR  51          HG23      THR  51  -2.150 -10.646 -11.239
  434    H    VAL  52           HN       VAL  52  -3.832 -10.495  -5.863
  435    HA   VAL  52           HA       VAL  52  -1.507  -9.101  -4.698
  436    HB   VAL  52           HB       VAL  52  -3.536  -7.708  -5.647
  437   1HG1  VAL  52          HG11      VAL  52  -5.491  -7.772  -4.585
  438   2HG1  VAL  52          HG12      VAL  52  -4.908  -9.249  -3.815
  439   3HG1  VAL  52          HG13      VAL  52  -4.722  -7.697  -2.999
  440   1HG2  VAL  52          HG21      VAL  52  -2.996  -6.705  -2.962
  441   2HG2  VAL  52          HG22      VAL  52  -1.543  -7.200  -3.829
  442   3HG2  VAL  52          HG23      VAL  52  -2.625  -5.998  -4.533
  443    H    VAL  53           HN       VAL  53  -1.876  -8.734  -2.295
  444    HA   VAL  53           HA       VAL  53  -2.318  -9.341  -0.198
  445    HB   VAL  53           HB       VAL  53  -4.685  -8.965  -1.197
  446   1HG1  VAL  53          HG11      VAL  53  -5.710 -10.749  -2.033
  447   2HG1  VAL  53          HG12      VAL  53  -4.507 -11.851  -1.353
  448   3HG1  VAL  53          HG13      VAL  53  -5.873 -11.320  -0.370
  449   1HG2  VAL  53          HG21      VAL  53  -4.600  -8.503   1.015
  450   2HG2  VAL  53          HG22      VAL  53  -5.605  -9.950   1.087
  451   3HG2  VAL  53          HG23      VAL  53  -3.879 -10.059   1.433
  452    H    SER  54           HN       SER  54  -1.241 -11.481  -2.251
  453    HA   SER  54           HA       SER  54  -1.590 -13.819  -0.535
  454   1HB   SER  54          HB2       SER  54   0.158 -14.329  -2.745
  455   2HB   SER  54          HB3       SER  54  -1.464 -14.962  -2.459
  456    HG   SER  54           HG       SER  54  -2.251 -12.953  -3.382
  457    H    GLN  55           HN       GLN  55   1.148 -12.255  -2.206
  458    HA   GLN  55           HA       GLN  55   2.829 -12.848   0.150
  459   1HB   GLN  55          HB2       GLN  55   3.212 -13.699  -2.430
  460   2HB   GLN  55          HB3       GLN  55   4.182 -12.234  -2.390
  461   1HG   GLN  55          HG2       GLN  55   4.515 -14.115  -0.138
  462   2HG   GLN  55          HG3       GLN  55   5.120 -14.630  -1.712
  463   1HE2  GLN  55          HE21      GLN  55   6.073 -12.337  -2.793
  464   2HE2  GLN  55          HE22      GLN  55   7.368 -11.707  -1.824
  465    H    LEU  56           HN       LEU  56   1.316 -10.453  -1.592
  466    HA   LEU  56           HA       LEU  56   3.394  -8.478  -1.540
  467   1HB   LEU  56          HB2       LEU  56   0.492  -8.022  -2.074
  468   2HB   LEU  56          HB3       LEU  56   1.828  -7.001  -2.544
  469    HG   LEU  56           HG       LEU  56   1.019  -9.653  -3.713
  470   1HD1  LEU  56          HD11      LEU  56   1.513  -6.966  -4.986
  471   2HD1  LEU  56          HD12      LEU  56   0.860  -8.409  -5.763
  472   3HD1  LEU  56          HD13      LEU  56  -0.073  -7.579  -4.516
  473   1HD2  LEU  56          HD21      LEU  56   3.012  -9.834  -4.900
  474   2HD2  LEU  56          HD22      LEU  56   3.487  -8.170  -4.552
  475   3HD2  LEU  56          HD23      LEU  56   3.547  -9.390  -3.280
  476    H    ARG  57           HN       ARG  57   3.904  -7.202   0.062
  477    HA   ARG  57           HA       ARG  57   1.805  -6.345   1.941
  478   1HB   ARG  57          HB2       ARG  57   4.741  -6.839   2.499
  479   2HB   ARG  57          HB3       ARG  57   3.664  -6.006   3.610
  480   1HG   ARG  57          HG2       ARG  57   3.059  -8.774   2.632
  481   2HG   ARG  57          HG3       ARG  57   4.122  -8.491   4.010
  482   1HD   ARG  57          HD2       ARG  57   1.332  -7.376   3.823
  483   2HD   ARG  57          HD3       ARG  57   1.694  -8.940   4.547
  484    HE   ARG  57           HE       ARG  57   2.208  -6.331   5.666
  485   1HH1  ARG  57          HH12      ARG  57   2.986  -9.752   5.796
  486   2HH1  ARG  57          HH11      ARG  57   3.608  -9.668   7.419
  487   1HH2  ARG  57          HH22      ARG  57   2.999  -6.231   7.795
  488   2HH2  ARG  57          HH21      ARG  57   3.588  -7.678   8.572
  489    H    ILE  58           HN       ILE  58   1.854  -4.099   2.472
  490    HA   ILE  58           HA       ILE  58   3.378  -2.582   0.463
  491    HB   ILE  58           HB       ILE  58   0.733  -1.749   1.652
  492   1HG1  ILE  58          HG12      ILE  58   0.485  -3.814   0.312
  493   2HG1  ILE  58          HG13      ILE  58  -0.299  -2.436  -0.451
  494   1HG2  ILE  58          HG21      ILE  58   0.718  -0.038   0.037
  495   2HG2  ILE  58          HG22      ILE  58   2.333  -0.017   0.748
  496   3HG2  ILE  58          HG23      ILE  58   2.075  -0.745  -0.839
  497   1HD1  ILE  58          HD11      ILE  58   1.531  -4.204  -1.592
  498   2HD1  ILE  58          HD12      ILE  58   0.893  -2.718  -2.297
  499   3HD1  ILE  58          HD13      ILE  58   2.404  -2.687  -1.387
  500    H    CYS  59           HN       CYS  59   4.829  -1.231   1.173
  501    HA   CYS  59           HA       CYS  59   5.388  -0.575   3.799
  502   1HB   CYS  59          HB2       CYS  59   6.003   1.285   1.525
  503   2HB   CYS  59          HB3       CYS  59   6.990   0.886   2.929
  504    H    SER  60           HN       SER  60   5.078   1.286   5.043
  505    HA   SER  60           HA       SER  60   2.573   2.644   4.661
  506   1HB   SER  60          HB2       SER  60   4.096   3.877   6.719
  507   2HB   SER  60          HB3       SER  60   2.743   2.758   6.893
  508    HG   SER  60           HG       SER  60   4.203   1.038   6.807
  509    H    ALA  61           HN       ALA  61   5.619   3.061   3.455
  510    HA   ALA  61           HA       ALA  61   5.852   5.894   3.412
  511   1HB   ALA  61          HB1       ALA  61   7.174   4.946   1.176
  512   2HB   ALA  61          HB2       ALA  61   7.870   5.186   2.780
  513   3HB   ALA  61          HB3       ALA  61   7.250   3.603   2.317
  514    H    HIS  62           HN       HIS  62   3.895   3.661   1.786
  515    HA   HIS  62           HA       HIS  62   3.522   5.256  -0.609
  516   1HB   HIS  62          HB2       HIS  62   2.238   2.676   0.324
  517   2HB   HIS  62          HB3       HIS  62   1.978   3.416  -1.255
  518    HD1  HIS  62           HD1      HIS  62   4.271   3.627  -2.766
  519    HD2  HIS  62           HD2      HIS  62   4.337   0.970   0.447
  520    HE1  HIS  62           HE1      HIS  62   6.257   2.083  -3.142
  521    H    PHE  63           HN       PHE  63   2.675   6.054   2.222
  522    HA   PHE  63           HA       PHE  63  -0.056   6.866   1.511
  523   1HB   PHE  63          HB2       PHE  63   0.816   5.880   4.241
  524   2HB   PHE  63          HB3       PHE  63  -0.775   6.522   3.844
  525    HD1  PHE  63           HD1      PHE  63   1.485   3.674   3.532
  526    HD2  PHE  63           HD2      PHE  63  -2.357   5.220   2.572
  527    HE1  PHE  63           HE1      PHE  63   0.736   1.416   2.919
  528    HE2  PHE  63           HE2      PHE  63  -3.116   2.964   1.961
  529    HZ   PHE  63           HZ       PHE  63  -1.567   1.060   2.133
  530    H    GLU  64           HN       GLU  64  -0.397   8.995   1.779
  531    HA   GLU  64           HA       GLU  64   1.588  10.775   2.705
  532   1HB   GLU  64          HB2       GLU  64  -0.846  10.990   1.380
  533   2HB   GLU  64          HB3       GLU  64  -1.125  11.822   2.903
  534   1HG   GLU  64          HG2       GLU  64   1.401  12.509   1.592
  535   2HG   GLU  64          HG3       GLU  64  -0.045  12.944   0.680
  536    H    GLY  65           HN       GLY  65   2.288  10.394   4.752
  537   1HA   GLY  65          HA1       GLY  65   1.931  11.228   7.029
  538   2HA   GLY  65          HA2       GLY  65   0.280  10.634   6.905
  539    H    GLY  66           HN       GLY  66   1.444   8.242   5.418
  540   1HA   GLY  66          HA1       GLY  66   2.645   6.292   5.903
  541   2HA   GLY  66          HA2       GLY  66   2.944   6.899   7.523
  542    H    GLU  67           HN       GLU  67  -0.306   7.270   6.852
  543    HA   GLU  67           HA       GLU  67  -0.870   4.736   8.234
  544   1HB   GLU  67          HB2       GLU  67  -2.409   5.767   9.640
  545   2HB   GLU  67          HB3       GLU  67  -1.129   6.966   9.522
  546   1HG   GLU  67          HG2       GLU  67  -2.783   7.674   7.459
  547   2HG   GLU  67          HG3       GLU  67  -3.920   7.105   8.679
  548    H    LYS  68           HN       LYS  68  -2.570   3.516   7.600
  549    HA   LYS  68           HA       LYS  68  -4.035   4.325   5.197
  550   1HB   LYS  68          HB2       LYS  68  -4.712   1.888   5.197
  551   2HB   LYS  68          HB3       LYS  68  -3.002   2.195   4.932
  552   1HG   LYS  68          HG2       LYS  68  -2.386   1.250   6.890
  553   2HG   LYS  68          HG3       LYS  68  -3.867   1.741   7.716
  554   1HD   LYS  68          HD2       LYS  68  -5.111  -0.020   6.662
  555   2HD   LYS  68          HD3       LYS  68  -3.738  -0.435   5.633
  556   1HE   LYS  68          HE2       LYS  68  -3.518  -2.030   7.260
  557   2HE   LYS  68          HE3       LYS  68  -2.522  -0.747   7.939
  558   1HZ   LYS  68          HZ1       LYS  68  -4.458  -1.981   9.279
  559   2HZ   LYS  68          HZ2       LYS  68  -5.336  -0.666   8.656
  560   3HZ   LYS  68          HZ3       LYS  68  -3.960  -0.391   9.608
  561    H    LYS  69           HN       LYS  69  -5.502   5.748   6.214
  562    HA   LYS  69           HA       LYS  69  -7.134   4.590   8.370
  563   1HB   LYS  69          HB2       LYS  69  -5.859   7.140   8.033
  564   2HB   LYS  69          HB3       LYS  69  -7.596   7.369   8.200
  565   1HG   LYS  69          HG2       LYS  69  -6.417   5.487  10.115
  566   2HG   LYS  69          HG3       LYS  69  -5.857   7.154  10.263
  567   1HD   LYS  69          HD2       LYS  69  -7.722   7.593  11.397
  568   2HD   LYS  69          HD3       LYS  69  -8.615   7.348   9.896
  569   1HE   LYS  69          HE2       LYS  69  -7.963   4.823  11.119
  570   2HE   LYS  69          HE3       LYS  69  -8.814   5.864  12.259
  571   1HZ   LYS  69          HZ1       LYS  69 -10.657   5.190  11.250
  572   2HZ   LYS  69          HZ2       LYS  69  -9.810   4.501   9.952
  573   3HZ   LYS  69          HZ3       LYS  69 -10.204   6.154   9.926
  574    H    GLU  70           HN       GLU  70  -7.977   7.412   6.449
  575    HA   GLU  70           HA       GLU  70 -10.635   6.285   6.209
  576   1HB   GLU  70          HB2       GLU  70  -9.450   8.968   6.136
  577   2HB   GLU  70          HB3       GLU  70 -10.772   8.731   5.000
  578   1HG   GLU  70          HG2       GLU  70 -11.788   9.542   6.929
  579   2HG   GLU  70          HG3       GLU  70 -12.084   7.804   6.970
  580    H    GLY  71           HN       GLY  71  -9.769   4.629   4.703
  581   1HA   GLY  71          HA1       GLY  71  -9.960   3.742   2.595
  582   2HA   GLY  71          HA2       GLY  71 -10.643   5.275   2.075
  583    H    ASP  72           HN       ASP  72  -7.526   5.143   3.592
  584    HA   ASP  72           HA       ASP  72  -6.301   6.473   1.404
  585   1HB   ASP  72          HB2       ASP  72  -5.105   5.195   3.871
  586   2HB   ASP  72          HB3       ASP  72  -4.192   6.161   2.718
  587    H    ILE  73           HN       ILE  73  -5.772   5.548  -0.431
  588    HA   ILE  73           HA       ILE  73  -5.109   2.716  -0.572
  589    HB   ILE  73           HB       ILE  73  -5.543   4.857  -2.657
  590   1HG1  ILE  73          HG12      ILE  73  -7.106   2.414  -2.850
  591   2HG1  ILE  73          HG13      ILE  73  -7.302   3.198  -1.285
  592   1HG2  ILE  73          HG21      ILE  73  -4.584   3.667  -4.273
  593   2HG2  ILE  73          HG22      ILE  73  -3.860   2.676  -3.006
  594   3HG2  ILE  73          HG23      ILE  73  -5.383   2.185  -3.749
  595   1HD1  ILE  73          HD11      ILE  73  -7.975   4.220  -4.005
  596   2HD1  ILE  73          HD12      ILE  73  -8.982   4.129  -2.558
  597   3HD1  ILE  73          HD13      ILE  73  -7.698   5.335  -2.665
  598    HA   PRO  74           HA       PRO  74  -0.742   3.487  -0.463
  599   1HB   PRO  74          HB2       PRO  74   0.118   1.231  -1.717
  600   2HB   PRO  74          HB3       PRO  74  -0.443   1.252  -0.042
  601   1HG   PRO  74          HG2       PRO  74  -1.898   0.433  -2.520
  602   2HG   PRO  74          HG3       PRO  74  -1.897  -0.329  -0.918
  603   1HD   PRO  74          HD2       PRO  74  -3.909   1.262  -1.784
  604   2HD   PRO  74          HD3       PRO  74  -3.438   1.157  -0.076
  605    H    VAL  75           HN       VAL  75  -0.066   5.086  -1.774
  606    HA   VAL  75           HA       VAL  75  -0.411   4.778  -4.662
  607    HB   VAL  75           HB       VAL  75   0.217   7.175  -4.802
  608   1HG1  VAL  75          HG11      VAL  75  -1.911   7.853  -4.386
  609   2HG1  VAL  75          HG12      VAL  75  -2.162   6.118  -4.195
  610   3HG1  VAL  75          HG13      VAL  75  -1.942   7.139  -2.775
  611   1HG2  VAL  75          HG21      VAL  75   1.475   7.908  -3.082
  612   2HG2  VAL  75          HG22      VAL  75  -0.083   8.221  -2.316
  613   3HG2  VAL  75          HG23      VAL  75   0.798   6.737  -1.949
  614    HA   PRO  76           HA       PRO  76   3.705   3.766  -5.517
  615   1HB   PRO  76          HB2       PRO  76   4.300   5.299  -7.708
  616   2HB   PRO  76          HB3       PRO  76   3.286   3.854  -7.764
  617   1HG   PRO  76          HG2       PRO  76   2.501   6.729  -7.733
  618   2HG   PRO  76          HG3       PRO  76   1.773   5.375  -8.612
  619   1HD   PRO  76          HD2       PRO  76   0.704   6.438  -6.337
  620   2HD   PRO  76          HD3       PRO  76   0.500   4.733  -6.816
  621    H    ASP  77           HN       ASP  77   3.026   7.175  -5.341
  622    HA   ASP  77           HA       ASP  77   5.357   7.798  -3.826
  623   1HB   ASP  77          HB2       ASP  77   6.028   7.616  -6.383
  624   2HB   ASP  77          HB3       ASP  77   5.282   9.207  -6.470
  625    HA   PRO  78           HA       PRO  78   1.841  10.544  -2.956
  626   1HB   PRO  78          HB2       PRO  78   3.005  11.575  -0.671
  627   2HB   PRO  78          HB3       PRO  78   1.984  10.135  -0.723
  628   1HG   PRO  78          HG2       PRO  78   4.955  10.356  -0.645
  629   2HG   PRO  78          HG3       PRO  78   3.896   9.174   0.142
  630   1HD   PRO  78          HD2       PRO  78   5.312   8.585  -2.080
  631   2HD   PRO  78          HD3       PRO  78   3.713   7.882  -1.763
  632    H    THR  79           HN       THR  79   5.165  11.199  -3.479
  633    HA   THR  79           HA       THR  79   4.810  14.079  -3.552
  634    HB   THR  79           HB       THR  79   7.335  13.312  -4.627
  635    HG1  THR  79           HG1      THR  79   7.002  11.273  -3.592
  636   1HG2  THR  79          HG21      THR  79   6.227  14.805  -2.350
  637   2HG2  THR  79          HG22      THR  79   7.538  15.230  -3.452
  638   3HG2  THR  79          HG23      THR  79   7.843  14.151  -2.090
  639    H    VAL  80           HN       VAL  80   4.372  11.488  -5.685
  640    HA   VAL  80           HA       VAL  80   4.754  13.269  -8.011
  641    HB   VAL  80           HB       VAL  80   5.179  10.280  -7.866
  642   1HG1  VAL  80          HG11      VAL  80   5.685  10.359 -10.246
  643   2HG1  VAL  80          HG12      VAL  80   4.029  10.885  -9.944
  644   3HG1  VAL  80          HG13      VAL  80   5.283  12.077 -10.289
  645   1HG2  VAL  80          HG21      VAL  80   7.094  11.419  -7.059
  646   2HG2  VAL  80          HG22      VAL  80   7.457  10.943  -8.718
  647   3HG2  VAL  80          HG23      VAL  80   7.018  12.611  -8.358
  648    H    ASP  81           HN       ASP  81   3.043  10.276  -7.073
  649    HA   ASP  81           HA       ASP  81   0.887  10.943  -8.916
  650   1HB   ASP  81          HB2       ASP  81   1.897   8.572  -8.562
  651   2HB   ASP  81          HB3       ASP  81   0.904   8.533  -7.106
  652    H    LYS  82           HN       LYS  82  -1.310  10.984  -8.224
  653    HA   LYS  82           HA       LYS  82  -1.641  12.503  -5.841
  654   1HB   LYS  82          HB2       LYS  82  -3.514  13.177  -6.860
  655   2HB   LYS  82          HB3       LYS  82  -3.080  12.144  -8.208
  656   1HG   LYS  82          HG2       LYS  82  -4.374  10.547  -6.243
  657   2HG   LYS  82          HG3       LYS  82  -5.343  11.992  -6.525
  658   1HD   LYS  82          HD2       LYS  82  -6.147  10.542  -8.140
  659   2HD   LYS  82          HD3       LYS  82  -4.938  11.463  -9.035
  660   1HE   LYS  82          HE2       LYS  82  -3.708   9.198  -7.774
  661   2HE   LYS  82          HE3       LYS  82  -5.102   8.673  -8.715
  662   1HZ   LYS  82          HZ1       LYS  82  -2.583   9.282  -9.667
  663   2HZ   LYS  82          HZ2       LYS  82  -3.567  10.573 -10.160
  664   3HZ   LYS  82          HZ3       LYS  82  -3.981   8.988 -10.586
  665    H    GLN  83           HN       GLN  83  -1.576  11.640  -3.908
  666    HA   GLN  83           HA       GLN  83  -2.058   9.103  -3.031
  667   1HB   GLN  83          HB2       GLN  83  -1.237  10.758  -1.504
  668   2HB   GLN  83          HB3       GLN  83  -2.675  11.749  -1.707
  669   1HG   GLN  83          HG2       GLN  83  -2.790  10.673   0.419
  670   2HG   GLN  83          HG3       GLN  83  -4.003   9.949  -0.635
  671   1HE2  GLN  83          HE21      GLN  83  -4.109   7.830  -0.584
  672   2HE2  GLN  83          HE22      GLN  83  -2.822   6.749  -0.167
  673    H    ILE  84           HN       ILE  84  -3.733   7.833  -3.520
  674    HA   ILE  84           HA       ILE  84  -6.325   9.019  -4.012
  675    HB   ILE  84           HB       ILE  84  -5.960   6.066  -4.123
  676   1HG1  ILE  84          HG12      ILE  84  -5.332   7.308  -6.670
  677   2HG1  ILE  84          HG13      ILE  84  -4.141   7.738  -5.444
  678   1HG2  ILE  84          HG21      ILE  84  -7.233   7.314  -6.376
  679   2HG2  ILE  84          HG22      ILE  84  -7.904   6.193  -5.189
  680   3HG2  ILE  84          HG23      ILE  84  -7.916   7.927  -4.868
  681   1HD1  ILE  84          HD11      ILE  84  -3.645   5.700  -6.832
  682   2HD1  ILE  84          HD12      ILE  84  -3.568   5.478  -5.084
  683   3HD1  ILE  84          HD13      ILE  84  -4.972   4.905  -5.986
  684    H    LYS  85           HN       LYS  85  -7.940   9.031  -2.574
  685    HA   LYS  85           HA       LYS  85  -8.029   6.909  -0.574
  686   1HB   LYS  85          HB2       LYS  85  -8.455   8.390   1.248
  687   2HB   LYS  85          HB3       LYS  85  -6.996   8.958   0.452
  688   1HG   LYS  85          HG2       LYS  85  -7.918  10.919  -0.120
  689   2HG   LYS  85          HG3       LYS  85  -9.478  10.192  -0.512
  690   1HD   LYS  85          HD2       LYS  85  -8.548  10.470   2.332
  691   2HD   LYS  85          HD3       LYS  85  -9.358  11.796   1.494
  692   1HE   LYS  85          HE2       LYS  85 -11.221  10.172   0.978
  693   2HE   LYS  85          HE3       LYS  85 -10.438   9.049   2.087
  694   1HZ   LYS  85          HZ1       LYS  85 -10.783  10.520   3.886
  695   2HZ   LYS  85          HZ2       LYS  85 -12.261  10.438   3.062
  696   3HZ   LYS  85          HZ3       LYS  85 -11.255  11.789   2.867
  697    H    ILE  86           HN       ILE  86 -10.041   6.155  -0.164
  698    HA   ILE  86           HA       ILE  86 -12.253   7.445  -1.614
  699    HB   ILE  86           HB       ILE  86 -12.796   4.824  -0.400
  700   1HG1  ILE  86          HG12      ILE  86 -11.528   4.110  -2.782
  701   2HG1  ILE  86          HG13      ILE  86 -10.386   5.164  -1.957
  702   1HG2  ILE  86          HG21      ILE  86 -14.093   6.324  -2.128
  703   2HG2  ILE  86          HG22      ILE  86 -13.097   5.439  -3.289
  704   3HG2  ILE  86          HG23      ILE  86 -14.171   4.561  -2.200
  705   1HD1  ILE  86          HD11      ILE  86  -9.798   3.101  -1.144
  706   2HD1  ILE  86          HD12      ILE  86 -10.920   3.654   0.098
  707   3HD1  ILE  86          HD13      ILE  86 -11.461   2.511  -1.131
  708    H    GLU  87           HN       GLU  87 -14.172   7.968  -0.542
  709    HA   GLU  87           HA       GLU  87 -13.905   8.526   2.248
  710   1HB   GLU  87          HB2       GLU  87 -15.376   9.663   0.335
  711   2HB   GLU  87          HB3       GLU  87 -16.588   8.554   0.960
  712   1HG   GLU  87          HG2       GLU  87 -16.783  10.718   2.019
  713   2HG   GLU  87          HG3       GLU  87 -16.302   9.498   3.196
  714    H    LEU  88           HN       LEU  88 -13.723   6.796   3.509
  715    HA   LEU  88           HA       LEU  88 -15.539   4.534   3.138
  716   1HB   LEU  88          HB2       LEU  88 -13.505   3.554   3.291
  717   2HB   LEU  88          HB3       LEU  88 -12.804   4.894   4.173
  718    HG   LEU  88           HG       LEU  88 -14.623   3.600   5.933
  719   1HD1  LEU  88          HD11      LEU  88 -14.418   1.684   4.361
  720   2HD1  LEU  88          HD12      LEU  88 -12.682   1.667   4.675
  721   3HD1  LEU  88          HD13      LEU  88 -13.819   1.347   5.985
  722   1HD2  LEU  88          HD21      LEU  88 -12.087   2.894   6.724
  723   2HD2  LEU  88          HD22      LEU  88 -11.810   4.351   5.769
  724   3HD2  LEU  88          HD23      LEU  88 -12.920   4.391   7.140
  725    HA   PRO  89           HA       PRO  89 -17.912   5.702   6.723
  726   1HB   PRO  89          HB2       PRO  89 -18.506   2.816   6.907
  727   2HB   PRO  89          HB3       PRO  89 -19.613   4.177   6.704
  728   1HG   PRO  89          HG2       PRO  89 -19.107   2.479   4.698
  729   2HG   PRO  89          HG3       PRO  89 -19.360   4.211   4.406
  730   1HD   PRO  89          HD2       PRO  89 -16.800   2.658   4.510
  731   2HD   PRO  89          HD3       PRO  89 -17.290   3.952   3.394
  732    HA   PRO  90           HA       PRO  90 -14.890   5.000   9.905
  733   1HB   PRO  90          HB2       PRO  90 -17.283   5.438  11.636
  734   2HB   PRO  90          HB3       PRO  90 -15.688   6.195  11.706
  735   1HG   PRO  90          HG2       PRO  90 -17.748   7.523  10.700
  736   2HG   PRO  90          HG3       PRO  90 -16.149   7.635   9.941
  737   1HD   PRO  90          HD2       PRO  90 -18.560   6.105   9.069
  738   2HD   PRO  90          HD3       PRO  90 -17.348   6.957   8.091
  739    H    LYS  91           HN       LYS  91 -18.031   3.402   9.961
  740    HA   LYS  91           HA       LYS  91 -16.705   1.026  11.024
  741   1HB   LYS  91          HB2       LYS  91 -18.862   2.540  12.290
  742   2HB   LYS  91          HB3       LYS  91 -19.269   0.845  12.060
  743   1HG   LYS  91          HG2       LYS  91 -17.809   0.149  13.613
  744   2HG   LYS  91          HG3       LYS  91 -16.597   1.349  13.161
  745   1HD   LYS  91          HD2       LYS  91 -17.983   3.080  14.294
  746   2HD   LYS  91          HD3       LYS  91 -19.047   1.789  14.857
  747   1HE   LYS  91          HE2       LYS  91 -16.091   1.876  15.418
  748   2HE   LYS  91          HE3       LYS  91 -17.309   2.541  16.506
  749   1HZ   LYS  91          HZ1       LYS  91 -16.537  -0.190  16.079
  750   2HZ   LYS  91          HZ2       LYS  91 -18.217   0.037  16.003
  751   3HZ   LYS  91          HZ3       LYS  91 -17.362   0.516  17.385
  Start of MODEL    8
    1   1H    GLY   1          H1        GLY   1  15.898  -8.648   6.418
    2   2H    GLY   1          H2        GLY   1  17.005  -7.535   7.052
    3   3H    GLY   1          H3        GLY   1  15.507  -6.996   6.476
    4   1HA   GLY   1          HA2       GLY   1  16.093  -7.550   9.063
    5   2HA   GLY   1          HA1       GLY   1  14.474  -7.429   8.382
    6    H    SER   2           HN       SER   2  14.032  -8.942  10.214
    7    HA   SER   2           HA       SER   2  15.061 -11.571  10.248
    8   1HB   SER   2          HB2       SER   2  12.699 -11.862  11.506
    9   2HB   SER   2          HB3       SER   2  14.097 -11.101  12.267
   10    HG   SER   2           HG       SER   2  11.867  -9.992  12.163
   11    H    MET   3           HN       MET   3  12.291 -10.093   8.696
   12    HA   MET   3           HA       MET   3  11.893 -12.580   7.170
   13   1HB   MET   3          HB2       MET   3  10.017 -12.268   8.711
   14   2HB   MET   3          HB3       MET   3   9.774 -10.634   8.110
   15   1HG   MET   3          HG2       MET   3   9.704 -12.331   5.871
   16   2HG   MET   3          HG3       MET   3   8.726 -13.097   7.119
   17   1HE   MET   3          HE1       MET   3   5.887 -11.489   5.069
   18   2HE   MET   3          HE2       MET   3   7.360 -12.170   4.379
   19   3HE   MET   3          HE3       MET   3   6.583 -12.962   5.749
   20    HA   PRO   4           HA       PRO   4  12.949  -9.712   3.894
   21   1HB   PRO   4          HB2       PRO   4  12.767 -11.520   1.869
   22   2HB   PRO   4          HB3       PRO   4  14.162 -11.420   2.950
   23   1HG   PRO   4          HG2       PRO   4  11.834 -13.298   3.023
   24   2HG   PRO   4          HG3       PRO   4  13.555 -13.640   3.284
   25   1HD   PRO   4          HD2       PRO   4  11.794 -13.377   5.320
   26   2HD   PRO   4          HD3       PRO   4  13.498 -12.897   5.464
   27    H    THR   5           HN       THR   5  10.966  -8.526   4.178
   28    HA   THR   5           HA       THR   5   8.606  -9.438   2.782
   29    HB   THR   5           HB       THR   5   8.463  -6.665   3.561
   30    HG1  THR   5           HG1      THR   5   9.362  -8.505   5.556
   31   1HG2  THR   5          HG21      THR   5   6.444  -7.321   4.326
   32   2HG2  THR   5          HG22      THR   5   7.110  -8.712   5.185
   33   3HG2  THR   5          HG23      THR   5   6.806  -8.813   3.451
   34    H    THR   6           HN       THR   6   8.045  -8.946   0.776
   35    HA   THR   6           HA       THR   6   9.676  -6.964  -0.674
   36    HB   THR   6           HB       THR   6   8.083  -8.958  -2.190
   37    HG1  THR   6           HG1      THR   6   9.524  -9.829  -0.219
   38   1HG2  THR   6          HG21      THR   6  10.695  -7.530  -2.446
   39   2HG2  THR   6          HG22      THR   6   9.352  -7.623  -3.585
   40   3HG2  THR   6          HG23      THR   6  10.422  -9.009  -3.365
   41    H    CYS   7           HN       CYS   7   8.664  -5.305  -1.699
   42    HA   CYS   7           HA       CYS   7   5.954  -4.759  -1.065
   43   1HB   CYS   7          HB2       CYS   7   7.797  -3.051  -1.470
   44   2HB   CYS   7          HB3       CYS   7   7.590  -3.373  -3.187
   45    H    GLY   8           HN       GLY   8   4.164  -4.769  -2.346
   46   1HA   GLY   8          HA1       GLY   8   4.263  -6.560  -4.649
   47   2HA   GLY   8          HA2       GLY   8   2.814  -5.948  -3.861
   48    H    PHE   9           HN       PHE   9   4.832  -3.404  -4.218
   49    HA   PHE   9           HA       PHE   9   3.254  -2.254  -6.311
   50   1HB   PHE   9          HB2       PHE   9   4.873  -1.299  -4.229
   51   2HB   PHE   9          HB3       PHE   9   5.671  -0.785  -5.712
   52    HD1  PHE   9           HD1      PHE   9   4.740   0.883  -7.102
   53    HD2  PHE   9           HD2      PHE   9   2.569  -0.599  -3.761
   54    HE1  PHE   9           HE1      PHE   9   3.133   2.723  -7.338
   55    HE2  PHE   9           HE2      PHE   9   0.952   1.236  -3.988
   56    HZ   PHE   9           HZ       PHE   9   1.239   2.908  -5.784
   57    HA   PRO  10           HA       PRO  10   5.842  -3.365  -9.755
   58   1HB   PRO  10          HB2       PRO  10   5.101  -1.328 -11.430
   59   2HB   PRO  10          HB3       PRO  10   4.152  -2.798 -11.190
   60   1HG   PRO  10          HG2       PRO  10   3.798  -0.092  -9.972
   61   2HG   PRO  10          HG3       PRO  10   2.569  -1.223 -10.565
   62   1HD   PRO  10          HD2       PRO  10   3.116  -0.934  -7.937
   63   2HD   PRO  10          HD3       PRO  10   2.623  -2.489  -8.638
   64    H    ASN  11           HN       ASN  11   5.716  -0.153  -8.425
   65    HA   ASN  11           HA       ASN  11   8.576   0.148  -8.932
   66   1HB   ASN  11          HB2       ASN  11   7.810   2.725  -9.280
   67   2HB   ASN  11          HB3       ASN  11   8.117   1.605 -10.599
   68   1HD2  ASN  11          HD21      ASN  11   6.510   1.069 -11.935
   69   2HD2  ASN  11          HD22      ASN  11   4.880   1.641 -11.789
   70    H    CYS  12           HN       CYS  12   8.728  -0.378  -6.695
   71    HA   CYS  12           HA       CYS  12   7.844   1.735  -4.872
   72   1HB   CYS  12          HB2       CYS  12   7.481  -0.639  -4.207
   73   2HB   CYS  12          HB3       CYS  12   9.226  -0.878  -4.223
   74    H    LYS  13           HN       LYS  13   9.194   3.388  -5.372
   75    HA   LYS  13           HA       LYS  13  12.025   3.031  -5.707
   76   1HB   LYS  13          HB2       LYS  13  12.088   5.287  -6.304
   77   2HB   LYS  13          HB3       LYS  13  10.479   4.793  -6.809
   78   1HG   LYS  13          HG2       LYS  13  10.329   5.706  -4.121
   79   2HG   LYS  13          HG3       LYS  13  11.221   6.898  -5.068
   80   1HD   LYS  13          HD2       LYS  13   8.849   5.870  -6.428
   81   2HD   LYS  13          HD3       LYS  13   8.486   6.692  -4.909
   82   1HE   LYS  13          HE2       LYS  13  10.172   7.845  -7.129
   83   2HE   LYS  13          HE3       LYS  13   8.462   8.198  -6.882
   84   1HZ   LYS  13          HZ1       LYS  13   8.925   9.251  -4.831
   85   2HZ   LYS  13          HZ2       LYS  13  10.045   9.861  -5.943
   86   3HZ   LYS  13          HZ3       LYS  13  10.531   8.696  -4.817
   87    H    PHE  14           HN       PHE  14  10.146   3.026  -3.017
   88    HA   PHE  14           HA       PHE  14  11.466   4.945  -1.387
   89   1HB   PHE  14          HB2       PHE  14   9.603   2.668  -0.734
   90   2HB   PHE  14          HB3       PHE  14  10.219   3.790   0.477
   91    HD1  PHE  14           HD1      PHE  14   7.340   3.130  -0.923
   92    HD2  PHE  14           HD2      PHE  14  10.128   6.342  -0.935
   93    HE1  PHE  14           HE1      PHE  14   5.525   4.698  -1.463
   94    HE2  PHE  14           HE2      PHE  14   8.317   7.916  -1.474
   95    HZ   PHE  14           HZ       PHE  14   6.013   7.095  -1.739
   96    H    ARG  15           HN       ARG  15  11.794   1.431  -1.764
   97    HA   ARG  15           HA       ARG  15  13.669   1.264   0.410
   98   1HB   ARG  15          HB2       ARG  15  13.398  -0.911  -1.627
   99   2HB   ARG  15          HB3       ARG  15  13.685  -1.026   0.108
  100   1HG   ARG  15          HG2       ARG  15  11.476  -0.900   0.625
  101   2HG   ARG  15          HG3       ARG  15  11.088   0.109  -0.767
  102   1HD   ARG  15          HD2       ARG  15  11.900  -2.756  -1.120
  103   2HD   ARG  15          HD3       ARG  15  10.238  -2.328  -0.715
  104    HE   ARG  15           HE       ARG  15  10.367  -0.868  -2.791
  105   1HH1  ARG  15          HH12      ARG  15  12.048  -3.912  -2.407
  106   2HH1  ARG  15          HH11      ARG  15  12.210  -4.191  -4.111
  107   1HH2  ARG  15          HH22      ARG  15  10.576  -1.231  -5.042
  108   2HH2  ARG  15          HH21      ARG  15  11.361  -2.675  -5.616
  109    H    SER  16           HN       SER  16  13.873   1.952  -2.951
  110    HA   SER  16           HA       SER  16  16.713   1.420  -3.096
  111   1HB   SER  16          HB2       SER  16  15.422   3.127  -5.148
  112   2HB   SER  16          HB3       SER  16  16.499   1.743  -5.347
  113    HG   SER  16           HG       SER  16  14.812   0.529  -5.600
  114    H    ARG  17           HN       ARG  17  14.680   3.895  -2.020
  115    HA   ARG  17           HA       ARG  17  16.624   6.026  -2.395
  116   1HB   ARG  17          HB2       ARG  17  14.634   7.074  -2.628
  117   2HB   ARG  17          HB3       ARG  17  13.765   5.816  -1.767
  118   1HG   ARG  17          HG2       ARG  17  14.075   6.834   0.291
  119   2HG   ARG  17          HG3       ARG  17  15.435   7.804  -0.283
  120   1HD   ARG  17          HD2       ARG  17  14.100   9.424  -1.081
  121   2HD   ARG  17          HD3       ARG  17  12.935   8.273  -1.728
  122    HE   ARG  17           HE       ARG  17  12.986   8.814   1.159
  123   1HH1  ARG  17          HH12      ARG  17  11.333   8.978  -1.929
  124   2HH1  ARG  17          HH11      ARG  17   9.807   9.453  -1.232
  125   1HH2  ARG  17          HH22      ARG  17  10.965   9.403   2.080
  126   2HH2  ARG  17          HH21      ARG  17   9.600   9.666   1.035
  127    H    TYR  18           HN       TYR  18  15.327   3.962   0.101
  128    HA   TYR  18           HA       TYR  18  16.665   5.361   2.244
  129   1HB   TYR  18          HB2       TYR  18  14.791   3.073   1.994
  130   2HB   TYR  18          HB3       TYR  18  15.853   3.072   3.397
  131    HD1  TYR  18           HD1      TYR  18  12.837   4.352   1.982
  132    HD2  TYR  18           HD2      TYR  18  15.833   5.150   4.898
  133    HE1  TYR  18           HE1      TYR  18  11.292   5.868   3.144
  134    HE2  TYR  18           HE2      TYR  18  14.293   6.669   6.069
  135    HH   TYR  18           HH       TYR  18  11.529   6.768   6.146
  136    H    ARG  19           HN       ARG  19  18.855   5.171   2.275
  137    HA   ARG  19           HA       ARG  19  20.020   2.511   1.823
  138   1HB   ARG  19          HB2       ARG  19  20.844   5.101   1.083
  139   2HB   ARG  19          HB3       ARG  19  21.978   4.564   2.319
  140   1HG   ARG  19          HG2       ARG  19  22.827   3.963   0.162
  141   2HG   ARG  19          HG3       ARG  19  22.346   2.493   1.014
  142   1HD   ARG  19          HD2       ARG  19  21.470   2.157  -1.101
  143   2HD   ARG  19          HD3       ARG  19  20.093   2.808  -0.212
  144    HE   ARG  19           HE       ARG  19  21.035   5.037  -1.236
  145   1HH1  ARG  19          HH12      ARG  19  20.668   1.899  -2.748
  146   2HH1  ARG  19          HH11      ARG  19  20.524   2.553  -4.355
  147   1HH2  ARG  19          HH22      ARG  19  20.835   5.891  -3.360
  148   2HH2  ARG  19          HH21      ARG  19  20.608   4.800  -4.697
  149    H    GLY  20           HN       GLY  20  21.518   1.629   3.335
  150   1HA   GLY  20          HA1       GLY  20  22.431   1.292   5.440
  151   2HA   GLY  20          HA2       GLY  20  21.800   2.857   5.937
  152    H    LEU  21           HN       LEU  21  19.135   2.561   5.430
  153    HA   LEU  21           HA       LEU  21  18.188   0.148   6.702
  154   1HB   LEU  21          HB2       LEU  21  16.820   1.508   8.335
  155   2HB   LEU  21          HB3       LEU  21  18.534   1.396   8.683
  156    HG   LEU  21           HG       LEU  21  18.159   3.735   7.127
  157   1HD1  LEU  21          HD11      LEU  21  16.672   4.940   8.834
  158   2HD1  LEU  21          HD12      LEU  21  15.887   3.935   7.615
  159   3HD1  LEU  21          HD13      LEU  21  16.090   3.330   9.259
  160   1HD2  LEU  21          HD21      LEU  21  18.533   3.733  10.092
  161   2HD2  LEU  21          HD22      LEU  21  19.788   3.084   9.036
  162   3HD2  LEU  21          HD23      LEU  21  19.277   4.764   8.871
  163    H    GLU  22           HN       GLU  22  16.612  -0.465   5.468
  164    HA   GLU  22           HA       GLU  22  15.241   1.083   3.584
  165   1HB   GLU  22          HB2       GLU  22  13.670  -0.942   3.557
  166   2HB   GLU  22          HB3       GLU  22  15.361  -1.215   3.160
  167   1HG   GLU  22          HG2       GLU  22  15.402  -2.810   4.693
  168   2HG   GLU  22          HG3       GLU  22  15.167  -1.578   5.930
  169    H    ASP  23           HN       ASP  23  15.000   2.091   6.405
  170    HA   ASP  23           HA       ASP  23  13.494   3.310   7.584
  171   1HB   ASP  23          HB2       ASP  23  12.424   3.843   5.409
  172   2HB   ASP  23          HB3       ASP  23  11.402   2.422   5.594
  173    H    ASN  24           HN       ASN  24  12.913   0.001   6.863
  174    HA   ASN  24           HA       ASN  24  11.886  -1.701   7.954
  175   1HB   ASN  24          HB2       ASN  24  13.276  -0.468   9.895
  176   2HB   ASN  24          HB3       ASN  24  11.649  -0.179  10.507
  177   1HD2  ASN  24          HD21      ASN  24  10.235  -2.172  10.525
  178   2HD2  ASN  24          HD22      ASN  24  10.975  -3.638  11.070
  179    H    ARG  25           HN       ARG  25  10.368  -0.129   6.467
  180    HA   ARG  25           HA       ARG  25   8.220   1.257   7.430
  181   1HB   ARG  25          HB2       ARG  25   8.508  -0.518   5.024
  182   2HB   ARG  25          HB3       ARG  25   7.002   0.323   5.357
  183   1HG   ARG  25          HG2       ARG  25   7.798   2.259   4.607
  184   2HG   ARG  25          HG3       ARG  25   9.321   2.073   5.480
  185   1HD   ARG  25          HD2       ARG  25   8.585   0.903   2.801
  186   2HD   ARG  25          HD3       ARG  25   9.818   2.120   3.139
  187    HE   ARG  25           HE       ARG  25  11.039   0.357   4.356
  188   1HH1  ARG  25          HH12      ARG  25   8.658  -0.577   1.947
  189   2HH1  ARG  25          HH11      ARG  25   9.330  -2.159   1.743
  190   1HH2  ARG  25          HH22      ARG  25  11.860  -1.753   4.123
  191   2HH2  ARG  25          HH21      ARG  25  11.143  -2.825   2.957
  192    H    HIS  26           HN       HIS  26   6.052   0.794   7.814
  193    HA   HIS  26           HA       HIS  26   5.555  -1.747   9.110
  194   1HB   HIS  26          HB2       HIS  26   3.354   0.214   8.618
  195   2HB   HIS  26          HB3       HIS  26   3.664  -0.789  10.028
  196    HD2  HIS  26           HD2      HIS  26   6.520   0.321  10.994
  197    HE1  HIS  26           HE1      HIS  26   4.705   4.139  10.781
  198    HE2  HIS  26           HE2      HIS  26   6.735   2.847  11.568
  199    H    PHE  27           HN       PHE  27   5.353  -3.362   7.711
  200    HA   PHE  27           HA       PHE  27   4.310  -2.922   5.070
  201   1HB   PHE  27          HB2       PHE  27   5.618  -5.164   6.512
  202   2HB   PHE  27          HB3       PHE  27   4.536  -5.606   5.198
  203    HD1  PHE  27           HD1      PHE  27   4.950  -4.456   2.928
  204    HD2  PHE  27           HD2      PHE  27   7.799  -4.568   6.083
  205    HE1  PHE  27           HE1      PHE  27   6.754  -4.041   1.308
  206    HE2  PHE  27           HE2      PHE  27   9.607  -4.149   4.473
  207    HZ   PHE  27           HZ       PHE  27   9.085  -3.888   2.080
  208    H    TYR  28           HN       TYR  28   2.229  -2.684   4.797
  209    HA   TYR  28           HA       TYR  28   0.345  -3.757   6.696
  210   1HB   TYR  28          HB2       TYR  28   0.039  -2.076   4.212
  211   2HB   TYR  28          HB3       TYR  28  -1.343  -2.653   5.141
  212    HD1  TYR  28           HD1      TYR  28   0.360  -2.369   7.830
  213    HD2  TYR  28           HD2      TYR  28  -0.667   0.258   4.640
  214    HE1  TYR  28           HE1      TYR  28   0.576  -0.450   9.350
  215    HE2  TYR  28           HE2      TYR  28  -0.451   2.183   6.153
  216    HH   TYR  28           HH       TYR  28   0.914   2.623   8.403
  217    H    ARG  29           HN       ARG  29  -1.057  -5.401   6.441
  218    HA   ARG  29           HA       ARG  29  -0.363  -7.345   4.422
  219   1HB   ARG  29          HB2       ARG  29  -2.013  -7.360   6.914
  220   2HB   ARG  29          HB3       ARG  29  -2.245  -8.637   5.729
  221   1HG   ARG  29          HG2       ARG  29  -0.696  -9.521   7.222
  222   2HG   ARG  29          HG3       ARG  29   0.287  -8.969   5.864
  223   1HD   ARG  29          HD2       ARG  29   0.780  -6.899   7.075
  224   2HD   ARG  29          HD3       ARG  29  -0.182  -7.466   8.438
  225    HE   ARG  29           HE       ARG  29   1.782  -9.390   7.884
  226   1HH1  ARG  29          HH12      ARG  29   1.522  -6.107   9.082
  227   2HH1  ARG  29          HH11      ARG  29   2.985  -6.187  10.022
  228   1HH2  ARG  29          HH22      ARG  29   3.695  -9.516   9.139
  229   2HH2  ARG  29          HH21      ARG  29   4.196  -8.146  10.089
  230    H    ILE  30           HN       ILE  30  -1.871  -4.848   3.762
  231    HA   ILE  30           HA       ILE  30  -3.481  -4.144   2.346
  232    HB   ILE  30           HB       ILE  30  -3.701  -7.072   1.648
  233   1HG1  ILE  30          HG12      ILE  30  -2.490  -5.569  -0.412
  234   2HG1  ILE  30          HG13      ILE  30  -1.711  -5.073   1.088
  235   1HG2  ILE  30          HG21      ILE  30  -4.534  -4.819  -0.143
  236   2HG2  ILE  30          HG22      ILE  30  -4.987  -6.522  -0.211
  237   3HG2  ILE  30          HG23      ILE  30  -5.651  -5.482   1.050
  238   1HD1  ILE  30          HD11      ILE  30  -0.797  -7.130   1.452
  239   2HD1  ILE  30          HD12      ILE  30  -2.064  -7.976   0.560
  240   3HD1  ILE  30          HD13      ILE  30  -0.810  -7.092  -0.312
  241    HA   PRO  31           HA       PRO  31  -7.000  -4.529   5.182
  242   1HB   PRO  31          HB2       PRO  31  -8.155  -2.491   3.462
  243   2HB   PRO  31          HB3       PRO  31  -7.747  -2.398   5.175
  244   1HG   PRO  31          HG2       PRO  31  -6.383  -1.205   3.023
  245   2HG   PRO  31          HG3       PRO  31  -5.862  -1.264   4.711
  246   1HD   PRO  31          HD2       PRO  31  -4.767  -2.639   2.443
  247   2HD   PRO  31          HD3       PRO  31  -4.205  -2.670   4.123
  248    H    LYS  32           HN       LYS  32  -8.770  -5.777   4.892
  249    HA   LYS  32           HA       LYS  32  -9.631  -6.295   2.115
  250   1HB   LYS  32          HB2       LYS  32  -9.542  -8.221   4.451
  251   2HB   LYS  32          HB3       LYS  32 -10.266  -8.582   2.888
  252   1HG   LYS  32          HG2       LYS  32  -8.250  -8.796   1.849
  253   2HG   LYS  32          HG3       LYS  32  -7.445  -7.663   2.932
  254   1HD   LYS  32          HD2       LYS  32  -8.411 -10.322   3.922
  255   2HD   LYS  32          HD3       LYS  32  -6.857 -10.172   3.101
  256   1HE   LYS  32          HE2       LYS  32  -7.496  -8.312   5.343
  257   2HE   LYS  32          HE3       LYS  32  -7.040  -9.972   5.718
  258   1HZ   LYS  32          HZ1       LYS  32  -5.002  -9.628   4.405
  259   2HZ   LYS  32          HZ2       LYS  32  -5.109  -8.579   5.737
  260   3HZ   LYS  32          HZ3       LYS  32  -5.434  -8.000   4.180
  261    H    ARG  33           HN       ARG  33 -10.422  -4.563   4.525
  262    HA   ARG  33           HA       ARG  33 -13.290  -4.831   4.112
  263   1HB   ARG  33          HB2       ARG  33 -11.887  -5.144   6.738
  264   2HB   ARG  33          HB3       ARG  33 -13.450  -4.340   6.706
  265   1HG   ARG  33          HG2       ARG  33 -14.569  -6.253   6.051
  266   2HG   ARG  33          HG3       ARG  33 -13.108  -7.005   5.404
  267   1HD   ARG  33          HD2       ARG  33 -13.925  -6.664   8.274
  268   2HD   ARG  33          HD3       ARG  33 -13.584  -8.158   7.403
  269    HE   ARG  33           HE       ARG  33 -11.287  -6.496   7.458
  270   1HH1  ARG  33          HH12      ARG  33 -13.229  -8.555   9.512
  271   2HH1  ARG  33          HH11      ARG  33 -11.913  -8.979  10.562
  272   1HH2  ARG  33          HH22      ARG  33  -9.535  -7.039   8.846
  273   2HH2  ARG  33          HH21      ARG  33  -9.805  -8.132  10.176
  274    HA   PRO  34           HA       PRO  34 -14.829  -3.731   3.702
  275   1HB   PRO  34          HB2       PRO  34 -15.195  -1.618   1.761
  276   2HB   PRO  34          HB3       PRO  34 -16.265  -2.107   3.076
  277   1HG   PRO  34          HG2       PRO  34 -14.912   0.268   3.020
  278   2HG   PRO  34          HG3       PRO  34 -15.417  -0.544   4.512
  279   1HD   PRO  34          HD2       PRO  34 -12.729  -0.476   3.204
  280   2HD   PRO  34          HD3       PRO  34 -13.149  -0.410   4.930
  281    H    LEU  35           HN       LEU  35 -15.365  -4.530   1.541
  282    HA   LEU  35           HA       LEU  35 -13.090  -5.590   0.270
  283   1HB   LEU  35          HB2       LEU  35 -15.656  -6.325   0.383
  284   2HB   LEU  35          HB3       LEU  35 -15.680  -5.543  -1.184
  285    HG   LEU  35           HG       LEU  35 -13.418  -7.278  -1.091
  286   1HD1  LEU  35          HD11      LEU  35 -15.772  -8.282   0.309
  287   2HD1  LEU  35          HD12      LEU  35 -15.258  -9.307  -1.032
  288   3HD1  LEU  35          HD13      LEU  35 -14.124  -8.911   0.258
  289   1HD2  LEU  35          HD21      LEU  35 -15.058  -6.410  -2.969
  290   2HD2  LEU  35          HD22      LEU  35 -14.198  -7.941  -3.133
  291   3HD2  LEU  35          HD23      LEU  35 -15.884  -7.928  -2.617
  292    H    ILE  36           HN       ILE  36 -15.193  -2.882  -0.580
  293    HA   ILE  36           HA       ILE  36 -14.137  -2.528  -3.194
  294    HB   ILE  36           HB       ILE  36 -15.598  -0.580  -1.408
  295   1HG1  ILE  36          HG12      ILE  36 -17.012  -2.431  -1.971
  296   2HG1  ILE  36          HG13      ILE  36 -17.486  -1.083  -2.999
  297   1HG2  ILE  36          HG21      ILE  36 -14.150   0.463  -3.207
  298   2HG2  ILE  36          HG22      ILE  36 -15.223  -0.305  -4.378
  299   3HG2  ILE  36          HG23      ILE  36 -15.864   0.880  -3.240
  300   1HD1  ILE  36          HD11      ILE  36 -15.698  -3.351  -3.848
  301   2HD1  ILE  36          HD12      ILE  36 -17.422  -3.225  -4.200
  302   3HD1  ILE  36          HD13      ILE  36 -16.296  -2.042  -4.867
  303    H    LEU  37           HN       LEU  37 -13.308  -1.192  -0.038
  304    HA   LEU  37           HA       LEU  37 -11.374   0.658  -0.906
  305   1HB   LEU  37          HB2       LEU  37 -12.051   0.869   1.330
  306   2HB   LEU  37          HB3       LEU  37 -11.823  -0.837   1.655
  307    HG   LEU  37           HG       LEU  37  -9.270   0.129   1.004
  308   1HD1  LEU  37          HD11      LEU  37  -9.156   2.264   1.594
  309   2HD1  LEU  37          HD12      LEU  37 -10.877   2.270   1.982
  310   3HD1  LEU  37          HD13      LEU  37  -9.695   1.833   3.217
  311   1HD2  LEU  37          HD21      LEU  37  -8.708  -0.596   3.152
  312   2HD2  LEU  37          HD22      LEU  37 -10.310  -0.227   3.794
  313   3HD2  LEU  37          HD23      LEU  37 -10.092  -1.593   2.701
  314    H    ARG  38           HN       ARG  38 -11.196  -2.771  -0.093
  315    HA   ARG  38           HA       ARG  38  -8.406  -3.039  -0.481
  316   1HB   ARG  38          HB2       ARG  38  -8.849  -5.018   0.435
  317   2HB   ARG  38          HB3       ARG  38 -10.563  -4.672   0.331
  318   1HG   ARG  38          HG2       ARG  38 -10.252  -5.581  -2.124
  319   2HG   ARG  38          HG3       ARG  38  -8.858  -6.383  -1.390
  320   1HD   ARG  38          HD2       ARG  38 -10.626  -6.969   0.479
  321   2HD   ARG  38          HD3       ARG  38 -11.764  -6.736  -0.839
  322    HE   ARG  38           HE       ARG  38  -9.950  -8.935  -0.461
  323   1HH1  ARG  38          HH12      ARG  38 -11.708  -7.098  -2.878
  324   2HH1  ARG  38          HH11      ARG  38 -11.856  -8.434  -3.975
  325   1HH2  ARG  38          HH22      ARG  38 -10.125 -10.692  -1.919
  326   2HH2  ARG  38          HH21      ARG  38 -10.951 -10.474  -3.438
  327    H    GLN  39           HN       GLN  39 -11.176  -3.238  -2.625
  328    HA   GLN  39           HA       GLN  39  -9.823  -4.240  -4.896
  329   1HB   GLN  39          HB2       GLN  39 -12.429  -3.606  -4.296
  330   2HB   GLN  39          HB3       GLN  39 -11.997  -2.345  -5.442
  331   1HG   GLN  39          HG2       GLN  39 -12.943  -4.100  -6.693
  332   2HG   GLN  39          HG3       GLN  39 -11.207  -4.157  -6.984
  333   1HE2  GLN  39          HE21      GLN  39 -13.883  -5.962  -6.270
  334   2HE2  GLN  39          HE22      GLN  39 -13.098  -7.381  -5.647
  335    H    ARG  40           HN       ARG  40 -10.413  -0.963  -3.705
  336    HA   ARG  40           HA       ARG  40  -9.155   0.352  -5.896
  337   1HB   ARG  40          HB2       ARG  40  -9.722   1.275  -3.076
  338   2HB   ARG  40          HB3       ARG  40  -9.055   2.311  -4.324
  339   1HG   ARG  40          HG2       ARG  40 -11.707   0.908  -4.476
  340   2HG   ARG  40          HG3       ARG  40 -11.462   2.584  -3.990
  341   1HD   ARG  40          HD2       ARG  40 -11.485   3.216  -6.126
  342   2HD   ARG  40          HD3       ARG  40 -10.111   2.162  -6.459
  343    HE   ARG  40           HE       ARG  40 -11.615   0.441  -7.094
  344   1HH1  ARG  40          HH12      ARG  40 -13.160   3.546  -6.538
  345   2HH1  ARG  40          HH11      ARG  40 -14.660   3.062  -7.277
  346   1HH2  ARG  40          HH22      ARG  40 -13.560  -0.174  -8.079
  347   2HH2  ARG  40          HH21      ARG  40 -14.885   0.951  -8.164
  348    H    TRP  41           HN       TRP  41  -8.046  -1.040  -2.901
  349    HA   TRP  41           HA       TRP  41  -5.457   0.032  -2.807
  350   1HB   TRP  41          HB2       TRP  41  -6.912  -2.164  -1.553
  351   2HB   TRP  41          HB3       TRP  41  -5.216  -2.560  -1.825
  352    HD1  TRP  41           HD1      TRP  41  -7.152   0.481  -0.386
  353    HE1  TRP  41           HE1      TRP  41  -5.847   1.354   1.645
  354    HE3  TRP  41           HE3      TRP  41  -3.253  -2.803  -0.485
  355    HZ2  TRP  41           HZ2      TRP  41  -3.466   0.716   3.033
  356    HZ3  TRP  41           HZ3      TRP  41  -1.498  -2.601   1.224
  357    HH2  TRP  41           HH2      TRP  41  -1.604  -0.877   2.941
  358    H    LEU  42           HN       LEU  42  -6.731  -2.855  -4.401
  359    HA   LEU  42           HA       LEU  42  -4.248  -3.628  -5.559
  360   1HB   LEU  42          HB2       LEU  42  -6.928  -4.362  -6.689
  361   2HB   LEU  42          HB3       LEU  42  -5.448  -5.300  -6.683
  362    HG   LEU  42           HG       LEU  42  -7.248  -4.765  -4.319
  363   1HD1  LEU  42          HD11      LEU  42  -7.034  -7.437  -4.541
  364   2HD1  LEU  42          HD12      LEU  42  -8.316  -6.490  -5.297
  365   3HD1  LEU  42          HD13      LEU  42  -6.903  -6.972  -6.238
  366   1HD2  LEU  42          HD21      LEU  42  -4.990  -4.773  -3.515
  367   2HD2  LEU  42          HD22      LEU  42  -5.719  -6.332  -3.127
  368   3HD2  LEU  42          HD23      LEU  42  -4.599  -6.196  -4.483
  369    H    THR  43           HN       THR  43  -6.705  -1.372  -6.408
  370    HA   THR  43           HA       THR  43  -6.347  -1.126  -9.165
  371    HB   THR  43           HB       THR  43  -7.162   0.860  -7.048
  372    HG1  THR  43           HG1      THR  43  -8.467  -1.062  -7.892
  373   1HG2  THR  43          HG21      THR  43  -8.078   1.839  -9.492
  374   2HG2  THR  43          HG22      THR  43  -6.388   1.429  -9.783
  375   3HG2  THR  43          HG23      THR  43  -6.815   2.544  -8.482
  376    H    ALA  44           HN       ALA  44  -4.590   0.363  -6.479
  377    HA   ALA  44           HA       ALA  44  -3.076   2.157  -8.067
  378   1HB   ALA  44          HB1       ALA  44  -2.951   1.197  -5.257
  379   2HB   ALA  44          HB2       ALA  44  -1.567   2.063  -5.925
  380   3HB   ALA  44          HB3       ALA  44  -3.153   2.830  -5.889
  381    H    ILE  45           HN       ILE  45  -2.364  -1.060  -6.748
  382    HA   ILE  45           HA       ILE  45   0.310  -1.054  -7.827
  383    HB   ILE  45           HB       ILE  45   0.259  -3.511  -7.146
  384   1HG1  ILE  45          HG12      ILE  45  -2.297  -2.634  -5.789
  385   2HG1  ILE  45          HG13      ILE  45  -2.220  -3.713  -7.174
  386   1HG2  ILE  45          HG21      ILE  45   0.870  -2.986  -4.988
  387   2HG2  ILE  45          HG22      ILE  45   1.051  -1.434  -5.807
  388   3HG2  ILE  45          HG23      ILE  45  -0.379  -1.752  -4.825
  389   1HD1  ILE  45          HD11      ILE  45  -2.314  -4.521  -4.596
  390   2HD1  ILE  45          HD12      ILE  45  -1.662  -5.481  -5.923
  391   3HD1  ILE  45          HD13      ILE  45  -0.576  -4.543  -4.897
  392    H    GLY  46           HN       GLY  46  -2.737  -1.608  -9.099
  393   1HA   GLY  46          HA1       GLY  46  -3.429  -2.344 -11.162
  394   2HA   GLY  46          HA2       GLY  46  -1.734  -2.401 -11.628
  395    H    ARG  47           HN       ARG  47  -3.231  -4.163  -8.973
  396    HA   ARG  47           HA       ARG  47  -2.751  -6.664 -10.455
  397   1HB   ARG  47          HB2       ARG  47  -1.890  -5.921  -7.674
  398   2HB   ARG  47          HB3       ARG  47  -2.180  -7.603  -8.097
  399   1HG   ARG  47          HG2       ARG  47  -0.548  -7.271  -9.998
  400   2HG   ARG  47          HG3       ARG  47  -0.137  -5.727  -9.248
  401   1HD   ARG  47          HD2       ARG  47  -0.008  -7.475  -7.139
  402   2HD   ARG  47          HD3       ARG  47   0.600  -8.444  -8.480
  403    HE   ARG  47           HE       ARG  47   1.869  -6.151  -7.258
  404   1HH1  ARG  47          HH12      ARG  47   1.729  -8.220 -10.084
  405   2HH1  ARG  47          HH11      ARG  47   3.357  -7.850 -10.583
  406   1HH2  ARG  47          HH22      ARG  47   4.004  -5.683  -7.907
  407   2HH2  ARG  47          HH21      ARG  47   4.647  -6.425  -9.341
  408    H    THR  48           HN       THR  48  -3.813  -8.548  -9.136
  409    HA   THR  48           HA       THR  48  -6.490  -7.640  -8.313
  410    HB   THR  48           HB       THR  48  -6.076 -10.345  -9.528
  411    HG1  THR  48           HG1      THR  48  -6.255  -7.858 -10.923
  412   1HG2  THR  48          HG21      THR  48  -8.276 -10.224  -8.964
  413   2HG2  THR  48          HG22      THR  48  -8.387  -9.396 -10.517
  414   3HG2  THR  48          HG23      THR  48  -8.303  -8.460  -9.024
  415    H    GLU  49           HN       GLU  49  -7.635  -9.611  -7.136
  416    HA   GLU  49           HA       GLU  49  -6.291  -9.852  -4.669
  417   1HB   GLU  49          HB2       GLU  49  -8.221 -11.537  -4.223
  418   2HB   GLU  49          HB3       GLU  49  -8.592  -9.832  -4.445
  419   1HG   GLU  49          HG2       GLU  49  -9.452 -10.176  -6.591
  420   2HG   GLU  49          HG3       GLU  49  -8.682 -11.756  -6.739
  421    H    GLU  50           HN       GLU  50  -6.297 -11.840  -7.474
  422    HA   GLU  50           HA       GLU  50  -5.550 -14.262  -6.119
  423   1HB   GLU  50          HB2       GLU  50  -6.605 -13.678  -8.594
  424   2HB   GLU  50          HB3       GLU  50  -4.939 -14.087  -8.981
  425   1HG   GLU  50          HG2       GLU  50  -5.510 -16.117  -7.342
  426   2HG   GLU  50          HG3       GLU  50  -7.126 -15.783  -7.966
  427    H    THR  51           HN       THR  51  -3.932 -11.448  -7.009
  428    HA   THR  51           HA       THR  51  -1.345 -12.851  -7.021
  429    HB   THR  51           HB       THR  51  -0.604 -10.653  -8.235
  430    HG1  THR  51           HG1      THR  51  -2.438  -9.962  -9.623
  431   1HG2  THR  51          HG21      THR  51  -0.690 -12.987  -9.177
  432   2HG2  THR  51          HG22      THR  51  -0.931 -11.698 -10.355
  433   3HG2  THR  51          HG23      THR  51  -2.314 -12.614  -9.757
  434    H    VAL  52           HN       VAL  52  -3.220 -11.172  -5.002
  435    HA   VAL  52           HA       VAL  52  -1.060  -9.440  -4.039
  436    HB   VAL  52           HB       VAL  52  -3.188  -8.324  -4.815
  437   1HG1  VAL  52          HG11      VAL  52  -5.158  -8.422  -3.597
  438   2HG1  VAL  52          HG12      VAL  52  -4.624 -10.103  -3.613
  439   3HG1  VAL  52          HG13      VAL  52  -4.368  -9.110  -2.177
  440   1HG2  VAL  52          HG21      VAL  52  -1.763  -6.969  -3.587
  441   2HG2  VAL  52          HG22      VAL  52  -3.285  -6.850  -2.702
  442   3HG2  VAL  52          HG23      VAL  52  -1.994  -7.894  -2.103
  443    H    VAL  53           HN       VAL  53  -3.346 -11.871  -3.052
  444    HA   VAL  53           HA       VAL  53  -2.577 -11.481  -0.274
  445    HB   VAL  53           HB       VAL  53  -4.943 -11.693  -0.638
  446   1HG1  VAL  53          HG11      VAL  53  -5.361 -12.868  -2.543
  447   2HG1  VAL  53          HG12      VAL  53  -4.198 -14.137  -2.152
  448   3HG1  VAL  53          HG13      VAL  53  -5.755 -14.082  -1.326
  449   1HG2  VAL  53          HG21      VAL  53  -4.781 -14.283   0.584
  450   2HG2  VAL  53          HG22      VAL  53  -3.478 -13.249   1.168
  451   3HG2  VAL  53          HG23      VAL  53  -5.155 -12.721   1.310
  452    H    SER  54           HN       SER  54  -0.401 -12.150  -0.868
  453    HA   SER  54           HA       SER  54   0.019 -14.843   0.031
  454   1HB   SER  54          HB2       SER  54   0.814 -14.047  -2.779
  455   2HB   SER  54          HB3       SER  54   1.578 -15.384  -1.920
  456    HG   SER  54           HG       SER  54  -1.161 -15.474  -1.843
  457    H    GLN  55           HN       GLN  55   2.496 -13.463  -1.921
  458    HA   GLN  55           HA       GLN  55   4.057 -12.890   0.479
  459   1HB   GLN  55          HB2       GLN  55   5.679 -12.404  -1.733
  460   2HB   GLN  55          HB3       GLN  55   5.670 -13.851  -0.740
  461   1HG   GLN  55          HG2       GLN  55   5.528 -14.565  -2.982
  462   2HG   GLN  55          HG3       GLN  55   3.922 -14.781  -2.292
  463   1HE2  GLN  55          HE21      GLN  55   5.851 -13.054  -4.571
  464   2HE2  GLN  55          HE22      GLN  55   4.556 -12.254  -5.390
  465    H    LEU  56           HN       LEU  56   2.165 -11.283  -1.744
  466    HA   LEU  56           HA       LEU  56   3.622  -8.885  -2.110
  467   1HB   LEU  56          HB2       LEU  56   1.140  -9.983  -2.936
  468   2HB   LEU  56          HB3       LEU  56   0.818  -8.405  -2.246
  469    HG   LEU  56           HG       LEU  56   2.772  -7.635  -3.805
  470   1HD1  LEU  56          HD11      LEU  56   3.400  -8.960  -5.514
  471   2HD1  LEU  56          HD12      LEU  56   2.929 -10.250  -4.407
  472   3HD1  LEU  56          HD13      LEU  56   1.811  -9.711  -5.661
  473   1HD2  LEU  56          HD21      LEU  56   0.184  -8.354  -5.139
  474   2HD2  LEU  56          HD22      LEU  56   0.266  -7.122  -3.880
  475   3HD2  LEU  56          HD23      LEU  56   1.191  -6.924  -5.368
  476    H    ARG  57           HN       ARG  57   3.875  -7.193  -0.833
  477    HA   ARG  57           HA       ARG  57   1.979  -6.721   1.353
  478   1HB   ARG  57          HB2       ARG  57   4.577  -7.726   1.736
  479   2HB   ARG  57          HB3       ARG  57   4.680  -6.016   2.127
  480   1HG   ARG  57          HG2       ARG  57   4.176  -7.560   4.045
  481   2HG   ARG  57          HG3       ARG  57   3.070  -6.201   3.837
  482   1HD   ARG  57          HD2       ARG  57   1.377  -7.625   3.762
  483   2HD   ARG  57          HD3       ARG  57   2.053  -8.326   2.295
  484    HE   ARG  57           HE       ARG  57   2.930  -9.274   4.944
  485   1HH1  ARG  57          HH12      ARG  57   1.503  -9.882   1.796
  486   2HH1  ARG  57          HH11      ARG  57   1.454 -11.607   2.015
  487   1HH2  ARG  57          HH22      ARG  57   2.845 -11.543   5.232
  488   2HH2  ARG  57          HH21      ARG  57   2.186 -12.550   3.977
  489    H    ILE  58           HN       ILE  58   2.165  -4.453   2.185
  490    HA   ILE  58           HA       ILE  58   3.167  -2.653   0.077
  491    HB   ILE  58           HB       ILE  58   0.564  -2.414   1.593
  492   1HG1  ILE  58          HG12      ILE  58   0.443  -4.017  -0.235
  493   2HG1  ILE  58          HG13      ILE  58  -0.458  -2.565  -0.659
  494   1HG2  ILE  58          HG21      ILE  58   1.321  -0.537  -0.586
  495   2HG2  ILE  58          HG22      ILE  58   0.240  -0.299   0.787
  496   3HG2  ILE  58          HG23      ILE  58   1.988  -0.282   1.025
  497   1HD1  ILE  58          HD11      ILE  58   0.642  -2.835  -2.607
  498   2HD1  ILE  58          HD12      ILE  58   1.905  -1.948  -1.755
  499   3HD1  ILE  58          HD13      ILE  58   1.981  -3.708  -1.859
  500    H    CYS  59           HN       CYS  59   4.283  -0.903   0.736
  501    HA   CYS  59           HA       CYS  59   5.150  -0.759   3.452
  502   1HB   CYS  59          HB2       CYS  59   5.665   1.298   1.316
  503   2HB   CYS  59          HB3       CYS  59   6.666   0.889   2.705
  504    H    SER  60           HN       SER  60   4.975   0.984   4.877
  505    HA   SER  60           HA       SER  60   2.447   2.297   4.959
  506   1HB   SER  60          HB2       SER  60   3.762   3.539   6.902
  507   2HB   SER  60          HB3       SER  60   3.251   1.862   7.091
  508    HG   SER  60           HG       SER  60   5.801   2.933   6.766
  509    H    ALA  61           HN       ALA  61   5.401   2.982   3.468
  510    HA   ALA  61           HA       ALA  61   5.371   5.839   3.677
  511   1HB   ALA  61          HB1       ALA  61   7.364   4.227   3.263
  512   2HB   ALA  61          HB2       ALA  61   6.887   4.360   1.568
  513   3HB   ALA  61          HB3       ALA  61   7.343   5.804   2.474
  514    H    HIS  62           HN       HIS  62   3.500   3.728   1.957
  515    HA   HIS  62           HA       HIS  62   3.385   5.247  -0.514
  516   1HB   HIS  62          HB2       HIS  62   2.000   2.738   0.432
  517   2HB   HIS  62          HB3       HIS  62   1.626   3.507  -1.107
  518    HD1  HIS  62           HD1      HIS  62   3.736   3.664  -2.832
  519    HD2  HIS  62           HD2      HIS  62   4.118   1.051   0.392
  520    HE1  HIS  62           HE1      HIS  62   5.668   2.102  -3.386
  521    H    PHE  63           HN       PHE  63   2.415   6.229   2.210
  522    HA   PHE  63           HA       PHE  63  -0.210   7.171   1.284
  523   1HB   PHE  63          HB2       PHE  63   0.437   6.470   4.160
  524   2HB   PHE  63          HB3       PHE  63  -1.113   7.021   3.532
  525    HD1  PHE  63           HD1      PHE  63   1.186   4.203   3.821
  526    HD2  PHE  63           HD2      PHE  63  -2.556   5.529   2.297
  527    HE1  PHE  63           HE1      PHE  63   0.529   1.870   3.423
  528    HE2  PHE  63           HE2      PHE  63  -3.216   3.195   1.888
  529    HZ   PHE  63           HZ       PHE  63  -1.672   1.364   2.452
  530    H    GLU  64           HN       GLU  64  -0.890   9.103   2.702
  531    HA   GLU  64           HA       GLU  64   1.089  11.126   2.550
  532   1HB   GLU  64          HB2       GLU  64  -1.714  10.974   2.955
  533   2HB   GLU  64          HB3       GLU  64  -1.050  11.857   4.321
  534   1HG   GLU  64          HG2       GLU  64   0.066  13.391   2.763
  535   2HG   GLU  64          HG3       GLU  64  -0.678  12.534   1.415
  536    H    GLY  65           HN       GLY  65   2.854  10.801   3.825
  537   1HA   GLY  65          HA1       GLY  65   4.025  11.104   5.818
  538   2HA   GLY  65          HA2       GLY  65   2.502  11.071   6.696
  539    H    GLY  66           HN       GLY  66   1.373   8.798   6.271
  540   1HA   GLY  66          HA1       GLY  66   2.372   6.411   5.838
  541   2HA   GLY  66          HA2       GLY  66   3.278   6.826   7.286
  542    H    GLU  67           HN       GLU  67  -0.099   7.455   6.397
  543    HA   GLU  67           HA       GLU  67  -0.902   6.059   8.862
  544   1HB   GLU  67          HB2       GLU  67  -2.444   8.366   7.709
  545   2HB   GLU  67          HB3       GLU  67  -2.500   7.713   9.340
  546   1HG   GLU  67          HG2       GLU  67   0.030   8.926   8.355
  547   2HG   GLU  67          HG3       GLU  67  -1.303   9.978   8.828
  548    H    LYS  68           HN       LYS  68  -2.346   4.489   8.615
  549    HA   LYS  68           HA       LYS  68  -3.885   4.336   6.115
  550   1HB   LYS  68          HB2       LYS  68  -2.696   2.299   6.695
  551   2HB   LYS  68          HB3       LYS  68  -3.403   2.298   8.303
  552   1HG   LYS  68          HG2       LYS  68  -4.844   0.846   7.383
  553   2HG   LYS  68          HG3       LYS  68  -5.638   2.314   6.808
  554   1HD   LYS  68          HD2       LYS  68  -3.473   1.070   5.171
  555   2HD   LYS  68          HD3       LYS  68  -5.096   0.376   5.143
  556   1HE   LYS  68          HE2       LYS  68  -4.284   3.184   4.414
  557   2HE   LYS  68          HE3       LYS  68  -4.912   1.939   3.338
  558   1HZ   LYS  68          HZ1       LYS  68  -6.715   2.391   5.473
  559   2HZ   LYS  68          HZ2       LYS  68  -6.967   2.566   3.811
  560   3HZ   LYS  68          HZ3       LYS  68  -6.351   3.863   4.713
  561    H    LYS  69           HN       LYS  69  -5.575   5.696   6.378
  562    HA   LYS  69           HA       LYS  69  -7.215   5.403   8.797
  563   1HB   LYS  69          HB2       LYS  69  -7.064   7.624   6.753
  564   2HB   LYS  69          HB3       LYS  69  -8.261   7.558   8.039
  565   1HG   LYS  69          HG2       LYS  69  -5.581   7.230   9.067
  566   2HG   LYS  69          HG3       LYS  69  -5.757   8.730   8.155
  567   1HD   LYS  69          HD2       LYS  69  -6.366   9.352  10.312
  568   2HD   LYS  69          HD3       LYS  69  -7.917   9.048   9.533
  569   1HE   LYS  69          HE2       LYS  69  -7.385   8.073  11.913
  570   2HE   LYS  69          HE3       LYS  69  -8.309   7.141  10.739
  571   1HZ   LYS  69          HZ1       LYS  69  -5.578   6.638  10.344
  572   2HZ   LYS  69          HZ2       LYS  69  -6.787   5.557  10.834
  573   3HZ   LYS  69          HZ3       LYS  69  -5.915   6.439  11.992
  574    H    GLU  70           HN       GLU  70  -9.283   6.855   6.918
  575    HA   GLU  70           HA       GLU  70 -10.498   4.297   6.136
  576   1HB   GLU  70          HB2       GLU  70 -12.126   6.768   6.478
  577   2HB   GLU  70          HB3       GLU  70 -12.547   5.094   6.813
  578   1HG   GLU  70          HG2       GLU  70 -12.312   5.684   8.951
  579   2HG   GLU  70          HG3       GLU  70 -10.585   5.521   8.639
  580    H    GLY  71           HN       GLY  71  -9.010   4.845   4.112
  581   1HA   GLY  71          HA1       GLY  71 -10.525   4.822   1.914
  582   2HA   GLY  71          HA2       GLY  71 -10.433   6.545   2.222
  583    H    ASP  72           HN       ASP  72  -7.588   5.753   3.318
  584    HA   ASP  72           HA       ASP  72  -6.211   6.735   1.062
  585   1HB   ASP  72          HB2       ASP  72  -4.441   5.341   2.883
  586   2HB   ASP  72          HB3       ASP  72  -4.573   7.071   2.568
  587    H    ILE  73           HN       ILE  73  -5.517   5.771  -0.667
  588    HA   ILE  73           HA       ILE  73  -5.061   2.865  -0.697
  589    HB   ILE  73           HB       ILE  73  -5.555   4.875  -2.903
  590   1HG1  ILE  73          HG12      ILE  73  -7.160   2.475  -2.907
  591   2HG1  ILE  73          HG13      ILE  73  -7.257   3.293  -1.349
  592   1HG2  ILE  73          HG21      ILE  73  -4.527   3.589  -4.388
  593   2HG2  ILE  73          HG22      ILE  73  -4.021   2.498  -3.097
  594   3HG2  ILE  73          HG23      ILE  73  -5.553   2.230  -3.927
  595   1HD1  ILE  73          HD11      ILE  73  -7.497   5.061  -3.665
  596   2HD1  ILE  73          HD12      ILE  73  -8.785   3.866  -3.504
  597   3HD1  ILE  73          HD13      ILE  73  -8.449   4.982  -2.182
  598    HA   PRO  74           HA       PRO  74  -0.709   3.659  -0.672
  599   1HB   PRO  74          HB2       PRO  74   0.199   1.398  -1.882
  600   2HB   PRO  74          HB3       PRO  74  -0.381   1.439  -0.213
  601   1HG   PRO  74          HG2       PRO  74  -1.803   0.563  -2.693
  602   2HG   PRO  74          HG3       PRO  74  -1.796  -0.180  -1.082
  603   1HD   PRO  74          HD2       PRO  74  -3.836   1.361  -1.962
  604   2HD   PRO  74          HD3       PRO  74  -3.358   1.299  -0.256
  605    H    VAL  75           HN       VAL  75  -0.118   5.287  -2.006
  606    HA   VAL  75           HA       VAL  75  -0.245   4.863  -4.903
  607    HB   VAL  75           HB       VAL  75   0.293   7.320  -5.040
  608   1HG1  VAL  75          HG11      VAL  75  -1.912   7.694  -5.131
  609   2HG1  VAL  75          HG12      VAL  75  -2.089   6.021  -4.610
  610   3HG1  VAL  75          HG13      VAL  75  -2.137   7.320  -3.422
  611   1HG2  VAL  75          HG21      VAL  75  -0.331   7.355  -2.092
  612   2HG2  VAL  75          HG22      VAL  75   1.314   7.399  -2.730
  613   3HG2  VAL  75          HG23      VAL  75   0.185   8.698  -3.112
  614    HA   PRO  76           HA       PRO  76   4.049   4.311  -5.509
  615   1HB   PRO  76          HB2       PRO  76   4.180   6.487  -7.492
  616   2HB   PRO  76          HB3       PRO  76   4.444   4.752  -7.701
  617   1HG   PRO  76          HG2       PRO  76   2.253   5.992  -8.659
  618   2HG   PRO  76          HG3       PRO  76   2.220   4.318  -8.080
  619   1HD   PRO  76          HD2       PRO  76   1.261   6.813  -6.737
  620   2HD   PRO  76          HD3       PRO  76   0.565   5.178  -6.724
  621    H    ASP  77           HN       ASP  77   2.972   7.602  -5.152
  622    HA   ASP  77           HA       ASP  77   4.924   8.253  -3.207
  623   1HB   ASP  77          HB2       ASP  77   6.283   8.386  -5.345
  624   2HB   ASP  77          HB3       ASP  77   5.235   9.711  -5.840
  625    HA   PRO  78           HA       PRO  78   1.182  10.609  -2.610
  626   1HB   PRO  78          HB2       PRO  78   1.882  11.646  -0.180
  627   2HB   PRO  78          HB3       PRO  78   1.245  10.013  -0.407
  628   1HG   PRO  78          HG2       PRO  78   4.080  10.910  -0.072
  629   2HG   PRO  78          HG3       PRO  78   3.259   9.501   0.624
  630   1HD   PRO  78          HD2       PRO  78   4.900   9.307  -1.509
  631   2HD   PRO  78          HD3       PRO  78   3.483   8.258  -1.303
  632    H    THR  79           HN       THR  79   4.366  11.839  -2.910
  633    HA   THR  79           HA       THR  79   3.352  14.600  -2.913
  634    HB   THR  79           HB       THR  79   6.014  14.954  -3.086
  635    HG1  THR  79           HG1      THR  79   6.074  12.473  -2.844
  636   1HG2  THR  79          HG21      THR  79   5.932  14.989  -0.501
  637   2HG2  THR  79          HG22      THR  79   4.227  14.586  -0.712
  638   3HG2  THR  79          HG23      THR  79   4.873  16.078  -1.399
  639    H    VAL  80           HN       VAL  80   4.184  12.096  -4.972
  640    HA   VAL  80           HA       VAL  80   4.915  13.947  -7.145
  641    HB   VAL  80           HB       VAL  80   5.733  11.117  -6.577
  642   1HG1  VAL  80          HG11      VAL  80   5.158  12.233  -9.221
  643   2HG1  VAL  80          HG12      VAL  80   6.782  11.565  -9.059
  644   3HG1  VAL  80          HG13      VAL  80   5.375  10.557  -8.718
  645   1HG2  VAL  80          HG21      VAL  80   7.104  13.705  -7.195
  646   2HG2  VAL  80          HG22      VAL  80   7.326  12.626  -5.818
  647   3HG2  VAL  80          HG23      VAL  80   7.939  12.166  -7.407
  648    H    ASP  81           HN       ASP  81   3.046  11.015  -6.387
  649    HA   ASP  81           HA       ASP  81   1.601  11.325  -8.919
  650   1HB   ASP  81          HB2       ASP  81   2.659   9.084  -8.066
  651   2HB   ASP  81          HB3       ASP  81   1.208   8.992  -7.064
  652    H    LYS  82           HN       LYS  82  -0.758  10.785  -8.822
  653    HA   LYS  82           HA       LYS  82  -2.046  12.481  -6.913
  654   1HB   LYS  82          HB2       LYS  82  -2.667  11.569  -9.443
  655   2HB   LYS  82          HB3       LYS  82  -3.791  10.680  -8.424
  656   1HG   LYS  82          HG2       LYS  82  -3.865  13.319  -7.499
  657   2HG   LYS  82          HG3       LYS  82  -3.864  13.427  -9.261
  658   1HD   LYS  82          HD2       LYS  82  -5.619  11.324  -8.430
  659   2HD   LYS  82          HD3       LYS  82  -6.022  12.804  -7.557
  660   1HE   LYS  82          HE2       LYS  82  -5.749  12.545 -10.549
  661   2HE   LYS  82          HE3       LYS  82  -7.268  12.598  -9.658
  662   1HZ   LYS  82          HZ1       LYS  82  -6.883  14.759 -10.468
  663   2HZ   LYS  82          HZ2       LYS  82  -5.265  14.761  -9.965
  664   3HZ   LYS  82          HZ3       LYS  82  -6.513  14.825  -8.813
  665    H    GLN  83           HN       GLN  83  -1.831  11.699  -4.893
  666    HA   GLN  83           HA       GLN  83  -2.141   9.125  -3.958
  667   1HB   GLN  83          HB2       GLN  83  -1.343  10.714  -2.424
  668   2HB   GLN  83          HB3       GLN  83  -2.675  11.817  -2.730
  669   1HG   GLN  83          HG2       GLN  83  -3.121  10.974  -0.619
  670   2HG   GLN  83          HG3       GLN  83  -4.157  10.015  -1.674
  671   1HE2  GLN  83          HE21      GLN  83  -4.016   7.878  -1.562
  672   2HE2  GLN  83          HE22      GLN  83  -2.761   6.991  -0.765
  673    H    ILE  84           HN       ILE  84  -3.777   7.776  -4.402
  674    HA   ILE  84           HA       ILE  84  -6.426   8.758  -4.893
  675    HB   ILE  84           HB       ILE  84  -5.838   5.840  -4.523
  676   1HG1  ILE  84          HG12      ILE  84  -5.645   6.455  -7.284
  677   2HG1  ILE  84          HG13      ILE  84  -4.529   7.534  -6.439
  678   1HG2  ILE  84          HG21      ILE  84  -8.053   5.972  -4.961
  679   2HG2  ILE  84          HG22      ILE  84  -7.906   7.508  -5.815
  680   3HG2  ILE  84          HG23      ILE  84  -7.478   6.002  -6.629
  681   1HD1  ILE  84          HD11      ILE  84  -3.081   5.884  -6.160
  682   2HD1  ILE  84          HD12      ILE  84  -4.311   4.850  -5.433
  683   3HD1  ILE  84          HD13      ILE  84  -4.112   4.884  -7.185
  684    H    LYS  85           HN       LYS  85  -8.077   8.880  -3.489
  685    HA   LYS  85           HA       LYS  85  -7.962   7.318  -1.012
  686   1HB   LYS  85          HB2       LYS  85  -8.826   9.343   0.230
  687   2HB   LYS  85          HB3       LYS  85  -7.144   9.427  -0.268
  688   1HG   LYS  85          HG2       LYS  85  -7.512  11.298  -1.392
  689   2HG   LYS  85          HG3       LYS  85  -8.820  10.547  -2.309
  690   1HD   LYS  85          HD2       LYS  85 -10.393  11.049  -0.525
  691   2HD   LYS  85          HD3       LYS  85  -9.092  11.727   0.456
  692   1HE   LYS  85          HE2       LYS  85  -8.758  13.504  -1.120
  693   2HE   LYS  85          HE3       LYS  85  -9.905  12.780  -2.246
  694   1HZ   LYS  85          HZ1       LYS  85 -10.849  14.639  -0.977
  695   2HZ   LYS  85          HZ2       LYS  85 -10.604  13.778   0.464
  696   3HZ   LYS  85          HZ3       LYS  85 -11.686  13.186  -0.704
  697    H    ILE  86           HN       ILE  86  -9.865   6.406  -0.518
  698    HA   ILE  86           HA       ILE  86 -12.179   6.984  -2.199
  699    HB   ILE  86           HB       ILE  86 -12.120   4.945   0.014
  700   1HG1  ILE  86          HG12      ILE  86 -11.556   3.897  -2.649
  701   2HG1  ILE  86          HG13      ILE  86 -10.282   4.947  -2.039
  702   1HG2  ILE  86          HG21      ILE  86 -14.147   4.456  -0.739
  703   2HG2  ILE  86          HG22      ILE  86 -14.007   5.726  -1.954
  704   3HG2  ILE  86          HG23      ILE  86 -13.472   4.087  -2.326
  705   1HD1  ILE  86          HD11      ILE  86  -9.570   3.414  -0.600
  706   2HD1  ILE  86          HD12      ILE  86 -11.206   3.039  -0.055
  707   3HD1  ILE  86          HD13      ILE  86 -10.564   2.275  -1.509
  708    H    GLU  87           HN       GLU  87 -14.042   7.919  -1.487
  709    HA   GLU  87           HA       GLU  87 -13.969   9.199   1.113
  710   1HB   GLU  87          HB2       GLU  87 -16.179   9.301  -0.947
  711   2HB   GLU  87          HB3       GLU  87 -15.918  10.412   0.391
  712   1HG   GLU  87          HG2       GLU  87 -13.745  10.125  -1.605
  713   2HG   GLU  87          HG3       GLU  87 -15.206  10.983  -2.094
  714    H    LEU  88           HN       LEU  88 -14.342   7.746   2.698
  715    HA   LEU  88           HA       LEU  88 -16.141   5.565   2.490
  716   1HB   LEU  88          HB2       LEU  88 -14.249   5.529   4.021
  717   2HB   LEU  88          HB3       LEU  88 -14.904   6.895   4.902
  718    HG   LEU  88           HG       LEU  88 -16.963   5.149   5.138
  719   1HD1  LEU  88          HD11      LEU  88 -16.326   2.956   5.269
  720   2HD1  LEU  88          HD12      LEU  88 -15.303   3.501   3.939
  721   3HD1  LEU  88          HD13      LEU  88 -14.632   3.349   5.562
  722   1HD2  LEU  88          HD21      LEU  88 -14.549   5.647   6.837
  723   2HD2  LEU  88          HD22      LEU  88 -16.200   6.230   7.046
  724   3HD2  LEU  88          HD23      LEU  88 -15.815   4.538   7.364
  725    HA   PRO  89           HA       PRO  89 -20.050   7.627   3.080
  726   1HB   PRO  89          HB2       PRO  89 -20.719   5.002   4.329
  727   2HB   PRO  89          HB3       PRO  89 -21.587   5.907   3.082
  728   1HG   PRO  89          HG2       PRO  89 -20.153   3.761   2.443
  729   2HG   PRO  89          HG3       PRO  89 -20.166   5.188   1.391
  730   1HD   PRO  89          HD2       PRO  89 -18.054   4.244   3.281
  731   2HD   PRO  89          HD3       PRO  89 -17.883   5.033   1.699
  732    HA   PRO  90           HA       PRO  90 -19.715   9.164   7.194
  733   1HB   PRO  90          HB2       PRO  90 -22.372   9.829   7.591
  734   2HB   PRO  90          HB3       PRO  90 -21.196  10.832   6.736
  735   1HG   PRO  90          HG2       PRO  90 -23.246   8.958   5.637
  736   2HG   PRO  90          HG3       PRO  90 -22.752  10.554   5.044
  737   1HD   PRO  90          HD2       PRO  90 -21.901   8.307   3.867
  738   2HD   PRO  90          HD3       PRO  90 -20.839   9.722   4.029
  739    H    LYS  91           HN       LYS  91 -19.236   7.418   8.462
  740    HA   LYS  91           HA       LYS  91 -21.371   5.601   9.265
  741   1HB   LYS  91          HB2       LYS  91 -19.290   4.560   8.622
  742   2HB   LYS  91          HB3       LYS  91 -18.388   5.572   9.739
  743   1HG   LYS  91          HG2       LYS  91 -20.300   4.263  11.299
  744   2HG   LYS  91          HG3       LYS  91 -19.667   3.044  10.190
  745   1HD   LYS  91          HD2       LYS  91 -17.866   2.865  11.486
  746   2HD   LYS  91          HD3       LYS  91 -17.454   4.532  11.082
  747   1HE   LYS  91          HE2       LYS  91 -19.477   4.026  13.206
  748   2HE   LYS  91          HE3       LYS  91 -17.774   3.775  13.583
  749   1HZ   LYS  91          HZ1       LYS  91 -18.894   6.294  12.467
  750   2HZ   LYS  91          HZ2       LYS  91 -17.303   6.040  12.987
  751   3HZ   LYS  91          HZ3       LYS  91 -18.575   6.030  14.111
  Start of MODEL    9
    1   1H    GLY   1          H1        GLY   1  14.227  -7.238  10.975
    2   2H    GLY   1          H2        GLY   1  14.963  -8.297   9.872
    3   3H    GLY   1          H3        GLY   1  14.907  -8.694  11.523
    4   1HA   GLY   1          HA2       GLY   1  12.492  -8.827  11.422
    5   2HA   GLY   1          HA1       GLY   1  12.577  -8.468   9.703
    6    H    SER   2           HN       SER   2  11.330 -10.743  10.456
    7    HA   SER   2           HA       SER   2  12.977 -13.035  10.570
    8   1HB   SER   2          HB2       SER   2  10.330 -13.280   9.252
    9   2HB   SER   2          HB3       SER   2  11.014 -14.205  10.591
   10    HG   SER   2           HG       SER   2   9.412 -11.979  10.630
   11    H    MET   3           HN       MET   3  11.625 -11.188   7.916
   12    HA   MET   3           HA       MET   3  13.507 -12.323   6.057
   13   1HB   MET   3          HB2       MET   3  10.939 -13.496   6.266
   14   2HB   MET   3          HB3       MET   3  10.923 -12.529   4.799
   15   1HG   MET   3          HG2       MET   3  12.798 -13.710   3.917
   16   2HG   MET   3          HG3       MET   3  13.039 -14.567   5.437
   17   1HE   MET   3          HE1       MET   3  12.097 -16.855   2.485
   18   2HE   MET   3          HE2       MET   3  11.231 -15.471   1.818
   19   3HE   MET   3          HE3       MET   3  12.849 -15.259   2.482
   20    HA   PRO   4           HA       PRO   4  13.252  -8.310   4.135
   21   1HB   PRO   4          HB2       PRO   4  12.828  -9.823   1.591
   22   2HB   PRO   4          HB3       PRO   4  13.970  -8.519   1.948
   23   1HG   PRO   4          HG2       PRO   4  14.804 -11.037   1.822
   24   2HG   PRO   4          HG3       PRO   4  15.440  -9.932   3.055
   25   1HD   PRO   4          HD2       PRO   4  13.466 -12.150   3.332
   26   2HD   PRO   4          HD3       PRO   4  14.703 -11.585   4.473
   27    H    THR   5           HN       THR   5  11.552  -6.977   4.069
   28    HA   THR   5           HA       THR   5   8.898  -7.987   3.900
   29    HB   THR   5           HB       THR   5   8.770  -5.205   3.647
   30    HG1  THR   5           HG1      THR   5  10.620  -4.499   4.389
   31   1HG2  THR   5          HG21      THR   5   8.808  -6.877   6.163
   32   2HG2  THR   5          HG22      THR   5   7.408  -6.659   5.110
   33   3HG2  THR   5          HG23      THR   5   8.084  -5.280   5.979
   34    H    THR   6           HN       THR   6   7.919  -8.517   2.090
   35    HA   THR   6           HA       THR   6   8.883  -7.618  -0.462
   36    HB   THR   6           HB       THR   6   6.588  -9.052  -0.961
   37    HG1  THR   6           HG1      THR   6   6.083  -9.983   0.877
   38   1HG2  THR   6          HG21      THR   6   8.210 -11.016  -1.156
   39   2HG2  THR   6          HG22      THR   6   9.449  -9.902  -0.577
   40   3HG2  THR   6          HG23      THR   6   8.599  -9.568  -2.086
   41    H    CYS   7           HN       CYS   7   8.342  -5.388  -0.609
   42    HA   CYS   7           HA       CYS   7   5.659  -4.480  -0.430
   43   1HB   CYS   7          HB2       CYS   7   7.548  -2.894  -0.390
   44   2HB   CYS   7          HB3       CYS   7   7.948  -3.326  -2.048
   45    H    GLY   8           HN       GLY   8   4.101  -4.344  -1.962
   46   1HA   GLY   8          HA1       GLY   8   4.455  -6.194  -4.200
   47   2HA   GLY   8          HA2       GLY   8   2.921  -5.611  -3.572
   48    H    PHE   9           HN       PHE   9   5.003  -3.044  -3.820
   49    HA   PHE   9           HA       PHE   9   3.593  -2.018  -6.109
   50   1HB   PHE   9          HB2       PHE   9   5.065  -0.912  -3.940
   51   2HB   PHE   9          HB3       PHE   9   5.820  -0.364  -5.436
   52    HD1  PHE   9           HD1      PHE   9   4.576   0.973  -7.038
   53    HD2  PHE   9           HD2      PHE   9   2.861  -0.219  -3.334
   54    HE1  PHE   9           HE1      PHE   9   2.793   2.640  -7.334
   55    HE2  PHE   9           HE2      PHE   9   1.072   1.447  -3.617
   56    HZ   PHE   9           HZ       PHE   9   1.037   2.881  -5.621
   57    HA   PRO  10           HA       PRO  10   6.403  -3.651  -9.085
   58   1HB   PRO  10          HB2       PRO  10   5.651  -2.124 -11.212
   59   2HB   PRO  10          HB3       PRO  10   4.705  -3.492 -10.612
   60   1HG   PRO  10          HG2       PRO  10   4.329  -0.564 -10.119
   61   2HG   PRO  10          HG3       PRO  10   3.112  -1.811 -10.453
   62   1HD   PRO  10          HD2       PRO  10   3.608  -0.882  -7.957
   63   2HD   PRO  10          HD3       PRO  10   3.096  -2.553  -8.269
   64    H    ASN  11           HN       ASN  11   6.538  -0.544  -7.843
   65    HA   ASN  11           HA       ASN  11   9.227  -0.158  -8.825
   66   1HB   ASN  11          HB2       ASN  11   7.575   0.871 -10.516
   67   2HB   ASN  11          HB3       ASN  11   7.278   2.090  -9.281
   68   1HD2  ASN  11          HD21      ASN  11   8.098   3.239 -11.342
   69   2HD2  ASN  11          HD22      ASN  11   9.794   3.598 -11.358
   70    H    CYS  12           HN       CYS  12   8.694  -0.702  -6.281
   71    HA   CYS  12           HA       CYS  12   8.423   1.714  -4.755
   72   1HB   CYS  12          HB2       CYS  12   7.852  -0.623  -3.903
   73   2HB   CYS  12          HB3       CYS  12   9.590  -0.882  -3.748
   74    H    LYS  13           HN       LYS  13   9.938   3.150  -5.371
   75    HA   LYS  13           HA       LYS  13  12.734   2.414  -5.500
   76   1HB   LYS  13          HB2       LYS  13  12.425   5.248  -5.493
   77   2HB   LYS  13          HB3       LYS  13  12.892   4.205  -6.826
   78   1HG   LYS  13          HG2       LYS  13  11.077   5.193  -7.750
   79   2HG   LYS  13          HG3       LYS  13  10.269   3.837  -6.966
   80   1HD   LYS  13          HD2       LYS  13   9.733   5.254  -5.053
   81   2HD   LYS  13          HD3       LYS  13  10.578   6.607  -5.810
   82   1HE   LYS  13          HE2       LYS  13   8.991   6.527  -7.681
   83   2HE   LYS  13          HE3       LYS  13   8.141   5.199  -6.894
   84   1HZ   LYS  13          HZ1       LYS  13   8.354   7.253  -5.037
   85   2HZ   LYS  13          HZ2       LYS  13   6.956   6.696  -5.805
   86   3HZ   LYS  13          HZ3       LYS  13   7.843   7.971  -6.482
   87    H    PHE  14           HN       PHE  14  10.711   2.783  -3.063
   88    HA   PHE  14           HA       PHE  14  12.297   4.479  -1.338
   89   1HB   PHE  14          HB2       PHE  14   9.938   2.710  -0.642
   90   2HB   PHE  14          HB3       PHE  14  10.615   3.996   0.353
   91    HD1  PHE  14           HD1      PHE  14   8.521   3.206  -2.528
   92    HD2  PHE  14           HD2      PHE  14  10.255   6.334  -0.219
   93    HE1  PHE  14           HE1      PHE  14   7.007   4.822  -3.592
   94    HE2  PHE  14           HE2      PHE  14   8.735   7.955  -1.272
   95    HZ   PHE  14           HZ       PHE  14   7.108   7.201  -2.960
   96    H    ARG  15           HN       ARG  15  11.419   1.035  -1.534
   97    HA   ARG  15           HA       ARG  15  13.281   0.154   0.418
   98   1HB   ARG  15          HB2       ARG  15  12.010  -1.253  -1.936
   99   2HB   ARG  15          HB3       ARG  15  13.045  -2.064  -0.769
  100   1HG   ARG  15          HG2       ARG  15  11.433  -1.324   1.013
  101   2HG   ARG  15          HG3       ARG  15  10.358  -0.811  -0.290
  102   1HD   ARG  15          HD2       ARG  15  10.522  -3.348   0.836
  103   2HD   ARG  15          HD3       ARG  15   9.666  -2.897  -0.638
  104    HE   ARG  15           HE       ARG  15  12.428  -3.940  -0.553
  105   1HH1  ARG  15          HH12      ARG  15   9.357  -3.506  -2.181
  106   2HH1  ARG  15          HH11      ARG  15   9.804  -4.456  -3.559
  107   1HH2  ARG  15          HH22      ARG  15  13.028  -5.202  -2.373
  108   2HH2  ARG  15          HH21      ARG  15  11.893  -5.417  -3.677
  109    H    SER  16           HN       SER  16  13.414   0.520  -3.087
  110    HA   SER  16           HA       SER  16  16.007  -0.518  -3.444
  111   1HB   SER  16          HB2       SER  16  14.635   1.536  -5.190
  112   2HB   SER  16          HB3       SER  16  15.874   0.374  -5.670
  113    HG   SER  16           HG       SER  16  13.145   0.009  -5.252
  114    H    ARG  17           HN       ARG  17  14.871   2.553  -2.312
  115    HA   ARG  17           HA       ARG  17  17.125   4.138  -2.902
  116   1HB   ARG  17          HB2       ARG  17  14.720   4.674  -1.836
  117   2HB   ARG  17          HB3       ARG  17  15.673   4.637  -0.360
  118   1HG   ARG  17          HG2       ARG  17  16.851   6.513  -0.902
  119   2HG   ARG  17          HG3       ARG  17  16.690   6.247  -2.639
  120   1HD   ARG  17          HD2       ARG  17  15.225   7.972  -2.431
  121   2HD   ARG  17          HD3       ARG  17  14.122   6.649  -2.054
  122    HE   ARG  17           HE       ARG  17  14.500   7.163   0.315
  123   1HH1  ARG  17          HH12      ARG  17  15.339   9.616  -2.044
  124   2HH1  ARG  17          HH11      ARG  17  15.134  10.934  -0.925
  125   1HH2  ARG  17          HH22      ARG  17  14.242   8.886   1.786
  126   2HH2  ARG  17          HH21      ARG  17  14.565  10.518   1.260
  127    H    TYR  18           HN       TYR  18  16.414   1.886  -0.309
  128    HA   TYR  18           HA       TYR  18  18.940   2.519   1.022
  129   1HB   TYR  18          HB2       TYR  18  16.931   0.448   1.900
  130   2HB   TYR  18          HB3       TYR  18  18.160   1.250   2.870
  131    HD1  TYR  18           HD1      TYR  18  14.829   1.015   2.633
  132    HD2  TYR  18           HD2      TYR  18  17.811   4.046   2.455
  133    HE1  TYR  18           HE1      TYR  18  13.169   2.683   3.333
  134    HE2  TYR  18           HE2      TYR  18  16.152   5.723   3.155
  135    HH   TYR  18           HH       TYR  18  13.101   4.875   4.409
  136    H    ARG  19           HN       ARG  19  18.424   1.025  -1.613
  137    HA   ARG  19           HA       ARG  19  19.500  -0.547  -2.828
  138   1HB   ARG  19          HB2       ARG  19  21.285  -0.060  -0.583
  139   2HB   ARG  19          HB3       ARG  19  21.442  -1.697  -1.208
  140   1HG   ARG  19          HG2       ARG  19  22.988  -0.571  -2.471
  141   2HG   ARG  19          HG3       ARG  19  21.572  -0.501  -3.521
  142   1HD   ARG  19          HD2       ARG  19  22.550   1.675  -3.486
  143   2HD   ARG  19          HD3       ARG  19  21.063   1.745  -2.543
  144    HE   ARG  19           HE       ARG  19  22.414   1.733  -0.538
  145   1HH1  ARG  19          HH12      ARG  19  24.117   2.349  -3.536
  146   2HH1  ARG  19          HH11      ARG  19  25.453   3.148  -2.754
  147   1HH2  ARG  19          HH22      ARG  19  24.149   2.743   0.487
  148   2HH2  ARG  19          HH21      ARG  19  25.475   3.369  -0.453
  149    H    GLY  20           HN       GLY  20  17.184  -1.306  -1.284
  150   1HA   GLY  20          HA1       GLY  20  16.714  -3.798  -1.958
  151   2HA   GLY  20          HA2       GLY  20  17.788  -4.092  -0.601
  152    H    LEU  21           HN       LEU  21  17.135  -3.086   1.484
  153    HA   LEU  21           HA       LEU  21  14.409  -2.346   1.860
  154   1HB   LEU  21          HB2       LEU  21  13.817  -4.276   3.320
  155   2HB   LEU  21          HB3       LEU  21  13.989  -4.686   1.628
  156    HG   LEU  21           HG       LEU  21  16.472  -5.090   3.097
  157   1HD1  LEU  21          HD11      LEU  21  14.143  -5.771   4.511
  158   2HD1  LEU  21          HD12      LEU  21  14.786  -7.278   3.858
  159   3HD1  LEU  21          HD13      LEU  21  15.803  -6.248   4.863
  160   1HD2  LEU  21          HD21      LEU  21  14.781  -7.098   1.630
  161   2HD2  LEU  21          HD22      LEU  21  15.785  -5.913   0.795
  162   3HD2  LEU  21          HD23      LEU  21  16.529  -7.098   1.870
  163    H    GLU  22           HN       GLU  22  15.043  -3.891   4.624
  164    HA   GLU  22           HA       GLU  22  15.565  -3.188   6.716
  165   1HB   GLU  22          HB2       GLU  22  17.894  -3.051   5.279
  166   2HB   GLU  22          HB3       GLU  22  17.756  -1.414   5.911
  167   1HG   GLU  22          HG2       GLU  22  18.252  -2.042   7.987
  168   2HG   GLU  22          HG3       GLU  22  17.231  -3.477   7.901
  169    H    ASP  23           HN       ASP  23  13.746  -1.666   5.087
  170    HA   ASP  23           HA       ASP  23  14.109   1.110   5.340
  171   1HB   ASP  23          HB2       ASP  23  11.375  -0.090   5.369
  172   2HB   ASP  23          HB3       ASP  23  11.968   1.315   4.494
  173    H    ASN  24           HN       ASN  24  13.170  -1.281   7.599
  174    HA   ASN  24           HA       ASN  24  12.178  -1.280   9.658
  175   1HB   ASN  24          HB2       ASN  24  13.872   1.147   9.575
  176   2HB   ASN  24          HB3       ASN  24  12.670   1.104  10.860
  177   1HD2  ASN  24          HD21      ASN  24  15.553   1.015  11.000
  178   2HD2  ASN  24          HD22      ASN  24  15.958  -0.450  11.835
  179    H    ARG  25           HN       ARG  25  10.497  -0.600   7.540
  180    HA   ARG  25           HA       ARG  25   8.911   1.685   8.483
  181   1HB   ARG  25          HB2       ARG  25   9.687   0.692   5.860
  182   2HB   ARG  25          HB3       ARG  25   7.953   0.944   5.984
  183   1HG   ARG  25          HG2       ARG  25   8.676   3.252   6.993
  184   2HG   ARG  25          HG3       ARG  25  10.173   2.916   6.122
  185   1HD   ARG  25          HD2       ARG  25   7.421   3.395   5.065
  186   2HD   ARG  25          HD3       ARG  25   8.956   4.084   4.544
  187    HE   ARG  25           HE       ARG  25   7.728   1.667   3.599
  188   1HH1  ARG  25          HH12      ARG  25  10.799   3.320   4.015
  189   2HH1  ARG  25          HH11      ARG  25  11.605   2.368   2.809
  190   1HH2  ARG  25          HH22      ARG  25   8.783   0.447   1.991
  191   2HH2  ARG  25          HH21      ARG  25  10.482   0.718   1.693
  192    H    HIS  26           HN       HIS  26   6.568   1.517   8.175
  193    HA   HIS  26           HA       HIS  26   5.512  -0.991   9.094
  194   1HB   HIS  26          HB2       HIS  26   4.676   1.446   9.598
  195   2HB   HIS  26          HB3       HIS  26   3.817   1.261   8.073
  196    HD2  HIS  26           HD2      HIS  26   1.813   1.593  10.360
  197    HE1  HIS  26           HE1      HIS  26   1.644  -2.625  10.625
  198    HE2  HIS  26           HE2      HIS  26   0.575  -0.449  11.365
  199    H    PHE  27           HN       PHE  27   4.585  -2.526   7.920
  200    HA   PHE  27           HA       PHE  27   4.138  -2.031   5.057
  201   1HB   PHE  27          HB2       PHE  27   5.575  -4.279   6.414
  202   2HB   PHE  27          HB3       PHE  27   4.661  -4.627   4.951
  203    HD1  PHE  27           HD1      PHE  27   5.574  -4.199   2.854
  204    HD2  PHE  27           HD2      PHE  27   7.339  -2.448   6.307
  205    HE1  PHE  27           HE1      PHE  27   7.473  -3.438   1.492
  206    HE2  PHE  27           HE2      PHE  27   9.239  -1.678   4.950
  207    HZ   PHE  27           HZ       PHE  27   9.309  -2.175   2.539
  208    H    TYR  28           HN       TYR  28   2.066  -2.150   4.633
  209    HA   TYR  28           HA       TYR  28   0.259  -3.305   6.558
  210   1HB   TYR  28          HB2       TYR  28  -0.232  -1.949   3.905
  211   2HB   TYR  28          HB3       TYR  28  -1.506  -2.467   5.005
  212    HD1  TYR  28           HD1      TYR  28   0.202   0.313   3.961
  213    HD2  TYR  28           HD2      TYR  28  -0.935  -1.631   7.570
  214    HE1  TYR  28           HE1      TYR  28   0.381   2.452   5.164
  215    HE2  TYR  28           HE2      TYR  28  -0.759   0.499   8.781
  216    HH   TYR  28           HH       TYR  28  -0.319   2.660   8.654
  217    H    ARG  29           HN       ARG  29  -1.300  -4.893   6.175
  218    HA   ARG  29           HA       ARG  29  -0.290  -7.102   4.571
  219   1HB   ARG  29          HB2       ARG  29  -1.633  -6.858   7.010
  220   2HB   ARG  29          HB3       ARG  29  -2.809  -7.581   5.923
  221   1HG   ARG  29          HG2       ARG  29  -1.858  -9.507   6.523
  222   2HG   ARG  29          HG3       ARG  29  -0.591  -9.056   5.379
  223   1HD   ARG  29          HD2       ARG  29   0.467  -9.654   7.429
  224   2HD   ARG  29          HD3       ARG  29   0.580  -7.903   7.252
  225    HE   ARG  29           HE       ARG  29  -1.616  -8.103   8.739
  226   1HH1  ARG  29          HH12      ARG  29   1.417  -9.818   9.024
  227   2HH1  ARG  29          HH11      ARG  29   1.358  -9.923  10.757
  228   1HH2  ARG  29          HH22      ARG  29  -1.728  -8.252  11.026
  229   2HH2  ARG  29          HH21      ARG  29  -0.441  -9.029  11.901
  230    H    ILE  30           HN       ILE  30  -1.863  -4.612   3.573
  231    HA   ILE  30           HA       ILE  30  -3.465  -4.025   2.097
  232    HB   ILE  30           HB       ILE  30  -3.468  -6.954   1.380
  233   1HG1  ILE  30          HG12      ILE  30  -2.303  -5.061  -0.507
  234   2HG1  ILE  30          HG13      ILE  30  -1.470  -5.060   1.044
  235   1HG2  ILE  30          HG21      ILE  30  -5.430  -6.280   0.408
  236   2HG2  ILE  30          HG22      ILE  30  -4.907  -4.602   0.264
  237   3HG2  ILE  30          HG23      ILE  30  -4.298  -5.814  -0.861
  238   1HD1  ILE  30          HD11      ILE  30  -1.316  -7.563   0.822
  239   2HD1  ILE  30          HD12      ILE  30  -1.873  -7.359  -0.841
  240   3HD1  ILE  30          HD13      ILE  30  -0.357  -6.621  -0.321
  241    HA   PRO  31           HA       PRO  31  -6.877  -4.584   4.970
  242   1HB   PRO  31          HB2       PRO  31  -8.068  -2.630   3.093
  243   2HB   PRO  31          HB3       PRO  31  -7.906  -2.544   4.851
  244   1HG   PRO  31          HG2       PRO  31  -6.387  -1.076   3.198
  245   2HG   PRO  31          HG3       PRO  31  -5.773  -1.697   4.733
  246   1HD   PRO  31          HD2       PRO  31  -5.237  -2.620   1.966
  247   2HD   PRO  31          HD3       PRO  31  -4.181  -2.647   3.391
  248    H    LYS  32           HN       LYS  32  -8.252  -6.239   4.763
  249    HA   LYS  32           HA       LYS  32  -9.467  -6.706   2.131
  250   1HB   LYS  32          HB2       LYS  32 -10.199  -8.848   3.723
  251   2HB   LYS  32          HB3       LYS  32  -8.889  -8.830   2.552
  252   1HG   LYS  32          HG2       LYS  32  -7.346  -9.002   4.137
  253   2HG   LYS  32          HG3       LYS  32  -8.084  -7.732   5.115
  254   1HD   LYS  32          HD2       LYS  32  -9.822  -9.489   5.761
  255   2HD   LYS  32          HD3       LYS  32  -8.705 -10.670   5.073
  256   1HE   LYS  32          HE2       LYS  32  -7.529  -8.729   6.952
  257   2HE   LYS  32          HE3       LYS  32  -8.664  -9.883   7.654
  258   1HZ   LYS  32          HZ1       LYS  32  -6.600 -10.926   5.855
  259   2HZ   LYS  32          HZ2       LYS  32  -7.295 -11.628   7.238
  260   3HZ   LYS  32          HZ3       LYS  32  -6.113 -10.423   7.402
  261    H    ARG  33           HN       ARG  33 -10.124  -4.883   4.542
  262    HA   ARG  33           HA       ARG  33 -12.995  -5.132   4.316
  263   1HB   ARG  33          HB2       ARG  33 -12.278  -6.623   6.244
  264   2HB   ARG  33          HB3       ARG  33 -11.752  -5.162   7.068
  265   1HG   ARG  33          HG2       ARG  33 -14.386  -4.692   6.195
  266   2HG   ARG  33          HG3       ARG  33 -14.360  -6.304   6.915
  267   1HD   ARG  33          HD2       ARG  33 -12.818  -4.595   8.566
  268   2HD   ARG  33          HD3       ARG  33 -14.330  -3.764   8.205
  269    HE   ARG  33           HE       ARG  33 -14.212  -6.483   9.354
  270   1HH1  ARG  33          HH12      ARG  33 -15.601  -3.261   9.202
  271   2HH1  ARG  33          HH11      ARG  33 -16.782  -3.592  10.436
  272   1HH2  ARG  33          HH22      ARG  33 -15.769  -6.899  10.956
  273   2HH2  ARG  33          HH21      ARG  33 -16.882  -5.647  11.428
  274    HA   PRO  34           HA       PRO  34 -14.562  -4.004   4.072
  275   1HB   PRO  34          HB2       PRO  34 -15.402  -2.087   2.369
  276   2HB   PRO  34          HB3       PRO  34 -15.767  -2.041   4.097
  277   1HG   PRO  34          HG2       PRO  34 -13.653  -0.574   2.569
  278   2HG   PRO  34          HG3       PRO  34 -14.730   0.020   3.848
  279   1HD   PRO  34          HD2       PRO  34 -12.146  -0.706   4.300
  280   2HD   PRO  34          HD3       PRO  34 -13.422  -0.836   5.526
  281    H    LEU  35           HN       LEU  35 -15.085  -4.786   1.936
  282    HA   LEU  35           HA       LEU  35 -12.753  -5.573   0.527
  283   1HB   LEU  35          HB2       LEU  35 -15.290  -6.556   0.767
  284   2HB   LEU  35          HB3       LEU  35 -15.311  -5.922  -0.869
  285    HG   LEU  35           HG       LEU  35 -12.904  -7.439  -0.429
  286   1HD1  LEU  35          HD11      LEU  35 -14.966  -8.448   1.084
  287   2HD1  LEU  35          HD12      LEU  35 -15.079  -9.367  -0.418
  288   3HD1  LEU  35          HD13      LEU  35 -13.570  -9.350   0.495
  289   1HD2  LEU  35          HD21      LEU  35 -14.931  -7.010  -2.412
  290   2HD2  LEU  35          HD22      LEU  35 -13.285  -7.610  -2.606
  291   3HD2  LEU  35          HD23      LEU  35 -14.595  -8.732  -2.246
  292    H    ILE  36           HN       ILE  36 -15.158  -3.075  -0.025
  293    HA   ILE  36           HA       ILE  36 -14.469  -2.486  -2.697
  294    HB   ILE  36           HB       ILE  36 -15.718  -0.830  -0.518
  295   1HG1  ILE  36          HG12      ILE  36 -17.228  -2.427  -1.386
  296   2HG1  ILE  36          HG13      ILE  36 -17.635  -0.927  -2.215
  297   1HG2  ILE  36          HG21      ILE  36 -15.302   1.072  -1.584
  298   2HG2  ILE  36          HG22      ILE  36 -14.373   0.199  -2.804
  299   3HG2  ILE  36          HG23      ILE  36 -16.108   0.437  -3.020
  300   1HD1  ILE  36          HD11      ILE  36 -17.672  -2.501  -3.907
  301   2HD1  ILE  36          HD12      ILE  36 -16.065  -1.791  -4.066
  302   3HD1  ILE  36          HD13      ILE  36 -16.263  -3.359  -3.281
  303    H    LEU  37           HN       LEU  37 -13.181  -1.309   0.378
  304    HA   LEU  37           HA       LEU  37 -11.304   0.497  -0.735
  305   1HB   LEU  37          HB2       LEU  37 -11.630   0.907   1.497
  306   2HB   LEU  37          HB3       LEU  37 -11.720  -0.793   1.908
  307    HG   LEU  37           HG       LEU  37  -9.149  -0.709   1.264
  308   1HD1  LEU  37          HD11      LEU  37  -9.555   1.823   0.767
  309   2HD1  LEU  37          HD12      LEU  37  -9.395   1.981   2.515
  310   3HD1  LEU  37          HD13      LEU  37  -8.076   1.293   1.565
  311   1HD2  LEU  37          HD21      LEU  37  -8.680  -0.291   3.669
  312   2HD2  LEU  37          HD22      LEU  37 -10.370   0.173   3.871
  313   3HD2  LEU  37          HD23      LEU  37  -9.957  -1.474   3.384
  314    H    ARG  38           HN       ARG  38 -11.184  -2.912   0.133
  315    HA   ARG  38           HA       ARG  38  -8.487  -3.422  -0.422
  316   1HB   ARG  38          HB2       ARG  38  -9.841  -5.067   0.692
  317   2HB   ARG  38          HB3       ARG  38 -10.955  -5.154  -0.662
  318   1HG   ARG  38          HG2       ARG  38  -9.200  -6.164  -2.037
  319   2HG   ARG  38          HG3       ARG  38  -8.091  -6.079  -0.666
  320   1HD   ARG  38          HD2       ARG  38  -9.006  -7.866   0.344
  321   2HD   ARG  38          HD3       ARG  38 -10.646  -7.368  -0.057
  322    HE   ARG  38           HE       ARG  38  -9.698  -8.225  -2.435
  323   1HH1  ARG  38          HH12      ARG  38  -9.723  -9.686   0.759
  324   2HH1  ARG  38          HH11      ARG  38  -9.814 -11.303   0.149
  325   1HH2  ARG  38          HH22      ARG  38  -9.850 -10.345  -3.218
  326   2HH2  ARG  38          HH21      ARG  38  -9.905 -11.682  -2.102
  327    H    GLN  39           HN       GLN  39 -11.352  -3.570  -2.507
  328    HA   GLN  39           HA       GLN  39 -10.122  -4.363  -4.888
  329   1HB   GLN  39          HB2       GLN  39 -12.607  -4.200  -4.326
  330   2HB   GLN  39          HB3       GLN  39 -12.480  -2.487  -4.699
  331   1HG   GLN  39          HG2       GLN  39 -11.353  -4.005  -6.841
  332   2HG   GLN  39          HG3       GLN  39 -12.961  -4.623  -6.453
  333   1HE2  GLN  39          HE21      GLN  39 -14.735  -3.406  -6.868
  334   2HE2  GLN  39          HE22      GLN  39 -14.684  -1.894  -7.719
  335    H    ARG  40           HN       ARG  40 -10.709  -1.134  -3.564
  336    HA   ARG  40           HA       ARG  40  -9.723   0.305  -5.802
  337   1HB   ARG  40          HB2       ARG  40 -10.380   0.970  -2.967
  338   2HB   ARG  40          HB3       ARG  40  -9.432   2.119  -3.899
  339   1HG   ARG  40          HG2       ARG  40 -11.755   1.171  -5.350
  340   2HG   ARG  40          HG3       ARG  40 -12.169   1.946  -3.819
  341   1HD   ARG  40          HD2       ARG  40 -10.475   3.767  -4.615
  342   2HD   ARG  40          HD3       ARG  40 -10.782   3.084  -6.210
  343    HE   ARG  40           HE       ARG  40 -12.977   4.062  -4.498
  344   1HH1  ARG  40          HH12      ARG  40 -11.221   4.089  -7.536
  345   2HH1  ARG  40          HH11      ARG  40 -12.428   5.036  -8.355
  346   1HH2  ARG  40          HH22      ARG  40 -14.533   5.321  -5.559
  347   2HH2  ARG  40          HH21      ARG  40 -14.307   5.742  -7.238
  348    H    TRP  41           HN       TRP  41  -8.209  -1.085  -2.992
  349    HA   TRP  41           HA       TRP  41  -5.820   0.352  -2.925
  350   1HB   TRP  41          HB2       TRP  41  -6.861  -2.117  -1.801
  351   2HB   TRP  41          HB3       TRP  41  -5.146  -2.250  -2.180
  352    HD1  TRP  41           HD1      TRP  41  -7.294   0.543  -0.535
  353    HE1  TRP  41           HE1      TRP  41  -6.025   1.368   1.547
  354    HE3  TRP  41           HE3      TRP  41  -3.233  -2.546  -0.792
  355    HZ2  TRP  41           HZ2      TRP  41  -3.627   0.774   2.904
  356    HZ3  TRP  41           HZ3      TRP  41  -1.494  -2.352   0.937
  357    HH2  TRP  41           HH2      TRP  41  -1.690  -0.722   2.741
  358    H    LEU  42           HN       LEU  42  -6.709  -2.517  -4.773
  359    HA   LEU  42           HA       LEU  42  -4.120  -3.025  -5.798
  360   1HB   LEU  42          HB2       LEU  42  -6.507  -3.876  -7.344
  361   2HB   LEU  42          HB3       LEU  42  -5.054  -4.770  -6.940
  362    HG   LEU  42           HG       LEU  42  -7.343  -4.180  -5.056
  363   1HD1  LEU  42          HD11      LEU  42  -6.763  -6.954  -5.517
  364   2HD1  LEU  42          HD12      LEU  42  -8.276  -6.074  -5.729
  365   3HD1  LEU  42          HD13      LEU  42  -7.100  -6.132  -7.040
  366   1HD2  LEU  42          HD21      LEU  42  -5.531  -4.311  -3.633
  367   2HD2  LEU  42          HD22      LEU  42  -6.043  -5.997  -3.720
  368   3HD2  LEU  42          HD23      LEU  42  -4.664  -5.443  -4.670
  369    H    THR  43           HN       THR  43  -6.493  -0.724  -6.660
  370    HA   THR  43           HA       THR  43  -6.144  -0.443  -9.408
  371    HB   THR  43           HB       THR  43  -6.795   1.635  -7.311
  372    HG1  THR  43           HG1      THR  43  -8.198  -0.366  -8.523
  373   1HG2  THR  43          HG21      THR  43  -6.840   3.225  -8.872
  374   2HG2  THR  43          HG22      THR  43  -7.880   2.233  -9.897
  375   3HG2  THR  43          HG23      THR  43  -6.127   2.082 -10.013
  376    H    ALA  44           HN       ALA  44  -4.347   1.097  -6.746
  377    HA   ALA  44           HA       ALA  44  -2.832   2.723  -8.563
  378   1HB   ALA  44          HB1       ALA  44  -2.037   3.816  -6.730
  379   2HB   ALA  44          HB2       ALA  44  -3.538   3.157  -6.078
  380   3HB   ALA  44          HB3       ALA  44  -2.003   2.359  -5.737
  381    H    ILE  45           HN       ILE  45  -2.321  -0.306  -6.884
  382    HA   ILE  45           HA       ILE  45   0.498  -0.387  -7.457
  383    HB   ILE  45           HB       ILE  45  -0.545  -3.009  -6.959
  384   1HG1  ILE  45          HG12      ILE  45  -1.392  -0.932  -4.926
  385   2HG1  ILE  45          HG13      ILE  45  -2.487  -1.811  -5.988
  386   1HG2  ILE  45          HG21      ILE  45   1.383  -1.108  -5.795
  387   2HG2  ILE  45          HG22      ILE  45   0.793  -2.379  -4.725
  388   3HG2  ILE  45          HG23      ILE  45   1.582  -2.801  -6.243
  389   1HD1  ILE  45          HD11      ILE  45  -1.965  -3.880  -4.919
  390   2HD1  ILE  45          HD12      ILE  45  -0.694  -3.120  -3.964
  391   3HD1  ILE  45          HD13      ILE  45  -2.380  -2.696  -3.680
  392    H    GLY  46           HN       GLY  46  -2.406  -1.239  -9.080
  393   1HA   GLY  46          HA1       GLY  46  -2.756  -2.052 -11.207
  394   2HA   GLY  46          HA2       GLY  46  -1.012  -2.017 -11.456
  395    H    ARG  47           HN       ARG  47  -2.214  -3.645  -8.702
  396    HA   ARG  47           HA       ARG  47  -1.240  -6.173  -9.768
  397   1HB   ARG  47          HB2       ARG  47  -1.883  -5.159  -7.011
  398   2HB   ARG  47          HB3       ARG  47  -1.706  -6.882  -7.311
  399   1HG   ARG  47          HG2       ARG  47   0.471  -5.237  -8.376
  400   2HG   ARG  47          HG3       ARG  47   0.311  -5.203  -6.619
  401   1HD   ARG  47          HD2       ARG  47   1.452  -7.117  -6.595
  402   2HD   ARG  47          HD3       ARG  47   0.008  -7.874  -7.262
  403    HE   ARG  47           HE       ARG  47   0.986  -7.889  -9.374
  404   1HH1  ARG  47          HH12      ARG  47   3.100  -6.319  -7.039
  405   2HH1  ARG  47          HH11      ARG  47   4.502  -6.434  -8.056
  406   1HH2  ARG  47          HH22      ARG  47   2.852  -7.998 -10.713
  407   2HH2  ARG  47          HH21      ARG  47   4.361  -7.365 -10.123
  408    H    THR  48           HN       THR  48  -2.493  -8.138  -9.379
  409    HA   THR  48           HA       THR  48  -5.334  -7.617  -9.819
  410    HB   THR  48           HB       THR  48  -4.876 -10.336 -10.229
  411    HG1  THR  48           HG1      THR  48  -2.737 -10.313 -10.469
  412   1HG2  THR  48          HG21      THR  48  -6.016  -8.241 -11.545
  413   2HG2  THR  48          HG22      THR  48  -5.819  -9.860 -12.218
  414   3HG2  THR  48          HG23      THR  48  -4.638  -8.604 -12.587
  415    H    GLU  49           HN       GLU  49  -6.637  -9.771  -9.041
  416    HA   GLU  49           HA       GLU  49  -6.787  -9.147  -6.255
  417   1HB   GLU  49          HB2       GLU  49  -8.487 -10.331  -8.269
  418   2HB   GLU  49          HB3       GLU  49  -8.566 -11.238  -6.764
  419   1HG   GLU  49          HG2       GLU  49  -8.706  -8.338  -6.421
  420   2HG   GLU  49          HG3       GLU  49 -10.041  -9.031  -7.345
  421    H    GLU  50           HN       GLU  50  -5.916 -12.078  -8.064
  422    HA   GLU  50           HA       GLU  50  -5.690 -13.598  -5.607
  423   1HB   GLU  50          HB2       GLU  50  -5.013 -14.288  -8.470
  424   2HB   GLU  50          HB3       GLU  50  -4.860 -15.410  -7.123
  425   1HG   GLU  50          HG2       GLU  50  -6.981 -15.977  -7.349
  426   2HG   GLU  50          HG3       GLU  50  -7.470 -14.310  -7.050
  427    H    THR  51           HN       THR  51  -3.688 -11.712  -7.647
  428    HA   THR  51           HA       THR  51  -1.198 -12.870  -6.805
  429    HB   THR  51           HB       THR  51  -1.032 -10.218  -7.993
  430    HG1  THR  51           HG1      THR  51  -2.055 -12.041  -9.832
  431   1HG2  THR  51          HG21      THR  51   0.272 -12.755  -8.100
  432   2HG2  THR  51          HG22      THR  51   0.826 -11.199  -8.720
  433   3HG2  THR  51          HG23      THR  51  -0.153 -12.257  -9.739
  434    H    VAL  52           HN       VAL  52  -3.304 -10.398  -5.641
  435    HA   VAL  52           HA       VAL  52  -1.195  -9.007  -4.219
  436    HB   VAL  52           HB       VAL  52  -3.127  -7.829  -5.355
  437   1HG1  VAL  52          HG11      VAL  52  -5.055  -7.605  -3.509
  438   2HG1  VAL  52          HG12      VAL  52  -5.115  -8.751  -4.847
  439   3HG1  VAL  52          HG13      VAL  52  -4.588  -9.287  -3.253
  440   1HG2  VAL  52          HG21      VAL  52  -2.041  -6.301  -4.112
  441   2HG2  VAL  52          HG22      VAL  52  -3.493  -6.389  -3.114
  442   3HG2  VAL  52          HG23      VAL  52  -2.055  -7.307  -2.663
  443    H    VAL  53           HN       VAL  53  -3.558 -11.408  -3.563
  444    HA   VAL  53           HA       VAL  53  -3.396 -10.925  -0.692
  445    HB   VAL  53           HB       VAL  53  -5.074 -13.045  -2.032
  446   1HG1  VAL  53          HG11      VAL  53  -6.033 -13.406  -0.018
  447   2HG1  VAL  53          HG12      VAL  53  -4.504 -12.764   0.583
  448   3HG1  VAL  53          HG13      VAL  53  -5.916 -11.713   0.464
  449   1HG2  VAL  53          HG21      VAL  53  -6.952 -11.480  -1.924
  450   2HG2  VAL  53          HG22      VAL  53  -5.863 -10.211  -1.363
  451   3HG2  VAL  53          HG23      VAL  53  -5.676 -10.881  -2.986
  452    H    SER  54           HN       SER  54  -1.146 -11.586  -0.585
  453    HA   SER  54           HA       SER  54  -0.998 -14.310   0.308
  454   1HB   SER  54          HB2       SER  54   1.294 -14.161  -1.344
  455   2HB   SER  54          HB3       SER  54  -0.085 -15.249  -1.510
  456    HG   SER  54           HG       SER  54  -0.955 -13.958  -2.998
  457    H    GLN  55           HN       GLN  55   2.066 -13.277  -0.631
  458    HA   GLN  55           HA       GLN  55   2.651 -12.367   2.092
  459   1HB   GLN  55          HB2       GLN  55   3.958 -14.212   0.759
  460   2HB   GLN  55          HB3       GLN  55   4.743 -12.837  -0.006
  461   1HG   GLN  55          HG2       GLN  55   6.160 -13.428   1.740
  462   2HG   GLN  55          HG3       GLN  55   5.269 -12.035   2.352
  463   1HE2  GLN  55          HE21      GLN  55   5.443 -15.541   2.412
  464   2HE2  GLN  55          HE22      GLN  55   4.712 -15.738   3.965
  465    H    LEU  56           HN       LEU  56   1.581 -10.934  -0.505
  466    HA   LEU  56           HA       LEU  56   3.409  -8.831  -1.016
  467   1HB   LEU  56          HB2       LEU  56   1.202  -9.717  -2.261
  468   2HB   LEU  56          HB3       LEU  56   0.498  -8.381  -1.369
  469    HG   LEU  56           HG       LEU  56   2.821  -7.354  -2.569
  470   1HD1  LEU  56          HD11      LEU  56   3.054  -9.036  -4.157
  471   2HD1  LEU  56          HD12      LEU  56   1.313  -9.244  -4.337
  472   3HD1  LEU  56          HD13      LEU  56   2.105  -7.814  -4.999
  473   1HD2  LEU  56          HD21      LEU  56  -0.130  -7.081  -2.989
  474   2HD2  LEU  56          HD22      LEU  56   1.005  -5.944  -2.263
  475   3HD2  LEU  56          HD23      LEU  56   1.012  -6.204  -4.007
  476    H    ARG  57           HN       ARG  57   3.740  -6.959   0.028
  477    HA   ARG  57           HA       ARG  57   1.753  -6.047   1.994
  478   1HB   ARG  57          HB2       ARG  57   4.710  -5.831   2.526
  479   2HB   ARG  57          HB3       ARG  57   3.380  -5.615   3.657
  480   1HG   ARG  57          HG2       ARG  57   3.212  -8.244   2.644
  481   2HG   ARG  57          HG3       ARG  57   4.894  -7.953   3.089
  482   1HD   ARG  57          HD2       ARG  57   3.563  -6.890   5.220
  483   2HD   ARG  57          HD3       ARG  57   2.511  -8.234   4.772
  484    HE   ARG  57           HE       ARG  57   5.151  -8.389   5.921
  485   1HH1  ARG  57          HH12      ARG  57   2.648 -10.114   4.145
  486   2HH1  ARG  57          HH11      ARG  57   3.377 -11.675   4.405
  487   1HH2  ARG  57          HH22      ARG  57   6.096 -10.440   6.245
  488   2HH2  ARG  57          HH21      ARG  57   5.338 -11.858   5.589
  489    H    ILE  58           HN       ILE  58   1.976  -3.708   2.454
  490    HA   ILE  58           HA       ILE  58   3.338  -2.283   0.267
  491    HB   ILE  58           HB       ILE  58   0.595  -1.575   1.322
  492   1HG1  ILE  58          HG12      ILE  58   0.611  -3.658  -0.054
  493   2HG1  ILE  58          HG13      ILE  58  -0.303  -2.345  -0.788
  494   1HG2  ILE  58          HG21      ILE  58   0.695  -0.139  -0.840
  495   2HG2  ILE  58          HG22      ILE  58   1.495   0.429   0.626
  496   3HG2  ILE  58          HG23      ILE  58   2.440  -0.322  -0.660
  497   1HD1  ILE  58          HD11      ILE  58   1.784  -3.869  -1.907
  498   2HD1  ILE  58          HD12      ILE  58   0.902  -2.523  -2.632
  499   3HD1  ILE  58          HD13      ILE  58   2.384  -2.219  -1.723
  500    H    CYS  59           HN       CYS  59   4.587  -0.660   0.913
  501    HA   CYS  59           HA       CYS  59   5.065  -0.083   3.603
  502   1HB   CYS  59          HB2       CYS  59   5.723   1.806   1.356
  503   2HB   CYS  59          HB3       CYS  59   6.606   1.518   2.847
  504    H    SER  60           HN       SER  60   4.599   1.656   4.893
  505    HA   SER  60           HA       SER  60   2.143   3.027   4.549
  506   1HB   SER  60          HB2       SER  60   3.381   4.451   6.480
  507   2HB   SER  60          HB3       SER  60   2.632   2.882   6.785
  508    HG   SER  60           HG       SER  60   4.923   3.237   7.484
  509    H    ALA  61           HN       ALA  61   5.299   3.583   3.408
  510    HA   ALA  61           HA       ALA  61   5.305   6.420   3.317
  511   1HB   ALA  61          HB1       ALA  61   7.431   6.050   2.801
  512   2HB   ALA  61          HB2       ALA  61   7.099   4.322   2.664
  513   3HB   ALA  61          HB3       ALA  61   6.945   5.366   1.250
  514    H    HIS  62           HN       HIS  62   3.566   4.135   1.599
  515    HA   HIS  62           HA       HIS  62   3.405   5.645  -0.874
  516   1HB   HIS  62          HB2       HIS  62   2.018   3.114   0.047
  517   2HB   HIS  62          HB3       HIS  62   1.811   3.834  -1.547
  518    HD1  HIS  62           HD1      HIS  62   4.031   3.845  -3.101
  519    HD2  HIS  62           HD2      HIS  62   4.181   1.483   0.330
  520    HE1  HIS  62           HE1      HIS  62   6.003   2.265  -3.394
  521    H    PHE  63           HN       PHE  63   2.341   6.454   1.932
  522    HA   PHE  63           HA       PHE  63  -0.312   7.324   0.996
  523   1HB   PHE  63          HB2       PHE  63   0.393   6.450   3.811
  524   2HB   PHE  63          HB3       PHE  63  -1.163   7.090   3.295
  525    HD1  PHE  63           HD1      PHE  63   1.118   4.227   3.104
  526    HD2  PHE  63           HD2      PHE  63  -2.738   5.739   2.140
  527    HE1  PHE  63           HE1      PHE  63   0.370   1.952   2.556
  528    HE2  PHE  63           HE2      PHE  63  -3.494   3.466   1.591
  529    HZ   PHE  63           HZ       PHE  63  -1.937   1.571   1.797
  530    H    GLU  64           HN       GLU  64  -1.022   9.341   1.812
  531    HA   GLU  64           HA       GLU  64   0.967  11.306   2.263
  532   1HB   GLU  64          HB2       GLU  64  -1.732  11.298   1.600
  533   2HB   GLU  64          HB3       GLU  64  -1.699  12.040   3.193
  534   1HG   GLU  64          HG2       GLU  64   0.287  13.407   2.067
  535   2HG   GLU  64          HG3       GLU  64  -0.634  13.019   0.616
  536    H    GLY  65           HN       GLY  65   2.166  11.341   4.056
  537   1HA   GLY  65          HA1       GLY  65   2.524  11.774   6.333
  538   2HA   GLY  65          HA2       GLY  65   0.836  11.397   6.652
  539    H    GLY  66           HN       GLY  66   1.202   8.895   4.988
  540   1HA   GLY  66          HA1       GLY  66   2.038   6.736   5.233
  541   2HA   GLY  66          HA2       GLY  66   3.008   7.292   6.590
  542    H    GLU  67           HN       GLU  67  -0.393   6.754   5.695
  543    HA   GLU  67           HA       GLU  67  -0.846   5.230   8.090
  544   1HB   GLU  67          HB2       GLU  67  -1.149   7.945   8.343
  545   2HB   GLU  67          HB3       GLU  67  -2.781   7.428   7.941
  546   1HG   GLU  67          HG2       GLU  67  -2.724   5.844   9.809
  547   2HG   GLU  67          HG3       GLU  67  -1.102   6.402  10.216
  548    H    LYS  68           HN       LYS  68  -2.010   3.593   7.345
  549    HA   LYS  68           HA       LYS  68  -4.026   4.067   5.272
  550   1HB   LYS  68          HB2       LYS  68  -2.848   2.199   4.604
  551   2HB   LYS  68          HB3       LYS  68  -2.546   1.671   6.253
  552   1HG   LYS  68          HG2       LYS  68  -5.320   1.500   5.903
  553   2HG   LYS  68          HG3       LYS  68  -4.602   0.856   4.425
  554   1HD   LYS  68          HD2       LYS  68  -4.495  -1.057   5.627
  555   2HD   LYS  68          HD3       LYS  68  -3.029  -0.324   6.275
  556   1HE   LYS  68          HE2       LYS  68  -4.345  -1.147   8.105
  557   2HE   LYS  68          HE3       LYS  68  -4.379   0.615   8.131
  558   1HZ   LYS  68          HZ1       LYS  68  -6.525  -1.207   7.185
  559   2HZ   LYS  68          HZ2       LYS  68  -6.560   0.475   6.973
  560   3HZ   LYS  68          HZ3       LYS  68  -6.572  -0.183   8.535
  561    H    LYS  69           HN       LYS  69  -6.048   4.453   5.902
  562    HA   LYS  69           HA       LYS  69  -6.974   3.230   8.415
  563   1HB   LYS  69          HB2       LYS  69  -7.806   5.681   6.893
  564   2HB   LYS  69          HB3       LYS  69  -8.946   4.898   7.982
  565   1HG   LYS  69          HG2       LYS  69  -7.992   6.511   9.325
  566   2HG   LYS  69          HG3       LYS  69  -7.041   5.077   9.719
  567   1HD   LYS  69          HD2       LYS  69  -5.392   6.674   9.421
  568   2HD   LYS  69          HD3       LYS  69  -5.469   5.927   7.824
  569   1HE   LYS  69          HE2       LYS  69  -6.250   7.792   6.851
  570   2HE   LYS  69          HE3       LYS  69  -7.312   8.172   8.206
  571   1HZ   LYS  69          HZ1       LYS  69  -4.766   8.561   9.162
  572   2HZ   LYS  69          HZ2       LYS  69  -5.879   9.763   8.716
  573   3HZ   LYS  69          HZ3       LYS  69  -4.738   9.204   7.589
  574    H    GLU  70           HN       GLU  70  -9.552   4.242   6.583
  575    HA   GLU  70           HA       GLU  70  -9.873   1.603   5.317
  576   1HB   GLU  70          HB2       GLU  70 -11.589   2.984   7.249
  577   2HB   GLU  70          HB3       GLU  70 -12.451   2.444   5.813
  578   1HG   GLU  70          HG2       GLU  70 -11.775   0.179   6.183
  579   2HG   GLU  70          HG3       GLU  70 -10.706   0.662   7.498
  580    H    GLY  71           HN       GLY  71  -8.998   4.323   4.347
  581   1HA   GLY  71          HA1       GLY  71 -10.798   4.390   2.039
  582   2HA   GLY  71          HA2       GLY  71 -10.572   5.881   2.937
  583    H    ASP  72           HN       ASP  72  -7.704   5.129   3.451
  584    HA   ASP  72           HA       ASP  72  -6.649   6.510   1.192
  585   1HB   ASP  72          HB2       ASP  72  -4.779   5.143   3.058
  586   2HB   ASP  72          HB3       ASP  72  -4.741   6.786   2.428
  587    H    ILE  73           HN       ILE  73  -6.011   5.684  -0.652
  588    HA   ILE  73           HA       ILE  73  -5.263   2.855  -0.850
  589    HB   ILE  73           HB       ILE  73  -5.926   4.935  -2.947
  590   1HG1  ILE  73          HG12      ILE  73  -7.446   2.529  -3.123
  591   2HG1  ILE  73          HG13      ILE  73  -7.469   3.078  -1.450
  592   1HG2  ILE  73          HG21      ILE  73  -4.269   2.659  -3.258
  593   2HG2  ILE  73          HG22      ILE  73  -5.800   2.335  -4.073
  594   3HG2  ILE  73          HG23      ILE  73  -4.862   3.769  -4.496
  595   1HD1  ILE  73          HD11      ILE  73  -9.343   3.976  -2.667
  596   2HD1  ILE  73          HD12      ILE  73  -8.243   5.273  -2.200
  597   3HD1  ILE  73          HD13      ILE  73  -8.258   4.685  -3.863
  598    HA   PRO  74           HA       PRO  74  -0.979   3.975  -0.844
  599   1HB   PRO  74          HB2       PRO  74   0.074   1.763  -1.997
  600   2HB   PRO  74          HB3       PRO  74  -0.564   1.766  -0.349
  601   1HG   PRO  74          HG2       PRO  74  -1.862   0.838  -2.880
  602   2HG   PRO  74          HG3       PRO  74  -1.839   0.061  -1.286
  603   1HD   PRO  74          HD2       PRO  74  -3.951   1.495  -2.182
  604   2HD   PRO  74          HD3       PRO  74  -3.509   1.419  -0.465
  605    H    VAL  75           HN       VAL  75  -0.353   5.567  -2.218
  606    HA   VAL  75           HA       VAL  75  -0.694   5.149  -5.094
  607    HB   VAL  75           HB       VAL  75  -0.013   7.624  -5.207
  608   1HG1  VAL  75          HG11      VAL  75  -2.389   6.468  -5.175
  609   2HG1  VAL  75          HG12      VAL  75  -2.541   7.355  -3.662
  610   3HG1  VAL  75          HG13      VAL  75  -2.217   8.221  -5.161
  611   1HG2  VAL  75          HG21      VAL  75  -0.377   7.277  -2.241
  612   2HG2  VAL  75          HG22      VAL  75   0.952   8.048  -3.108
  613   3HG2  VAL  75          HG23      VAL  75  -0.626   8.832  -3.036
  614    HA   PRO  76           HA       PRO  76   3.525   4.474  -5.956
  615   1HB   PRO  76          HB2       PRO  76   3.957   5.917  -8.218
  616   2HB   PRO  76          HB3       PRO  76   2.997   4.436  -8.190
  617   1HG   PRO  76          HG2       PRO  76   2.086   7.283  -8.165
  618   2HG   PRO  76          HG3       PRO  76   1.438   5.910  -9.081
  619   1HD   PRO  76          HD2       PRO  76   0.278   6.832  -6.809
  620   2HD   PRO  76          HD3       PRO  76   0.238   5.114  -7.280
  621    H    ASP  77           HN       ASP  77   2.446   7.708  -5.514
  622    HA   ASP  77           HA       ASP  77   4.832   8.516  -4.191
  623   1HB   ASP  77          HB2       ASP  77   4.774   8.904  -7.005
  624   2HB   ASP  77          HB3       ASP  77   4.563  10.483  -6.254
  625    HA   PRO  78           HA       PRO  78   1.178  10.791  -2.755
  626   1HB   PRO  78          HB2       PRO  78   2.216  11.390  -0.311
  627   2HB   PRO  78          HB3       PRO  78   1.446   9.844  -0.682
  628   1HG   PRO  78          HG2       PRO  78   4.353  10.530  -0.561
  629   2HG   PRO  78          HG3       PRO  78   3.520   9.077   0.020
  630   1HD   PRO  78          HD2       PRO  78   4.906   9.152  -2.313
  631   2HD   PRO  78          HD3       PRO  78   3.492   8.109  -2.068
  632    H    THR  79           HN       THR  79   4.417  11.694  -3.280
  633    HA   THR  79           HA       THR  79   3.885  14.532  -2.787
  634    HB   THR  79           HB       THR  79   6.559  14.077  -3.654
  635    HG1  THR  79           HG1      THR  79   7.075  12.228  -2.744
  636   1HG2  THR  79          HG21      THR  79   5.394  15.686  -1.913
  637   2HG2  THR  79          HG22      THR  79   7.089  15.230  -1.735
  638   3HG2  THR  79          HG23      THR  79   5.849  14.415  -0.780
  639    H    VAL  80           HN       VAL  80   3.798  12.327  -5.307
  640    HA   VAL  80           HA       VAL  80   4.318  14.441  -7.295
  641    HB   VAL  80           HB       VAL  80   4.935  11.496  -7.601
  642   1HG1  VAL  80          HG11      VAL  80   4.212  12.294  -9.717
  643   2HG1  VAL  80          HG12      VAL  80   5.133  13.789  -9.541
  644   3HG1  VAL  80          HG13      VAL  80   5.975  12.257  -9.763
  645   1HG2  VAL  80          HG21      VAL  80   6.948  11.966  -6.799
  646   2HG2  VAL  80          HG22      VAL  80   7.176  13.160  -8.076
  647   3HG2  VAL  80          HG23      VAL  80   6.465  13.642  -6.537
  648    H    ASP  81           HN       ASP  81   2.704  11.296  -6.836
  649    HA   ASP  81           HA       ASP  81   0.824  11.913  -8.948
  650   1HB   ASP  81          HB2       ASP  81   1.876   9.564  -8.240
  651   2HB   ASP  81          HB3       ASP  81   0.457   9.520  -7.196
  652    H    LYS  82           HN       LYS  82  -1.532  11.185  -8.355
  653    HA   LYS  82           HA       LYS  82  -2.352  12.994  -6.212
  654   1HB   LYS  82          HB2       LYS  82  -4.020  11.614  -8.323
  655   2HB   LYS  82          HB3       LYS  82  -4.562  12.885  -7.236
  656   1HG   LYS  82          HG2       LYS  82  -4.105  14.263  -8.929
  657   2HG   LYS  82          HG3       LYS  82  -2.419  14.058  -8.455
  658   1HD   LYS  82          HD2       LYS  82  -3.050  11.853 -10.077
  659   2HD   LYS  82          HD3       LYS  82  -3.741  13.266 -10.878
  660   1HE   LYS  82          HE2       LYS  82  -1.712  14.201 -11.284
  661   2HE   LYS  82          HE3       LYS  82  -0.994  13.545  -9.813
  662   1HZ   LYS  82          HZ1       LYS  82  -1.016  11.337 -10.933
  663   2HZ   LYS  82          HZ2       LYS  82   0.011  12.474 -11.660
  664   3HZ   LYS  82          HZ3       LYS  82  -1.490  12.115 -12.365
  665    H    GLN  83           HN       GLN  83  -2.133  11.880  -4.358
  666    HA   GLN  83           HA       GLN  83  -2.576   9.324  -3.643
  667   1HB   GLN  83          HB2       GLN  83  -1.874  10.756  -1.933
  668   2HB   GLN  83          HB3       GLN  83  -3.176  11.899  -2.224
  669   1HG   GLN  83          HG2       GLN  83  -3.858  10.948  -0.264
  670   2HG   GLN  83          HG3       GLN  83  -4.695   9.927  -1.433
  671   1HE2  GLN  83          HE21      GLN  83  -4.602   7.858  -0.978
  672   2HE2  GLN  83          HE22      GLN  83  -3.302   7.041  -0.183
  673    H    ILE  84           HN       ILE  84  -4.150   7.981  -4.215
  674    HA   ILE  84           HA       ILE  84  -6.826   8.901  -4.681
  675    HB   ILE  84           HB       ILE  84  -5.974   6.012  -4.514
  676   1HG1  ILE  84          HG12      ILE  84  -6.176   7.005  -7.216
  677   2HG1  ILE  84          HG13      ILE  84  -4.956   7.914  -6.321
  678   1HG2  ILE  84          HG21      ILE  84  -8.265   6.011  -4.656
  679   2HG2  ILE  84          HG22      ILE  84  -8.315   7.493  -5.609
  680   3HG2  ILE  84          HG23      ILE  84  -7.826   5.977  -6.364
  681   1HD1  ILE  84          HD11      ILE  84  -4.497   5.605  -7.621
  682   2HD1  ILE  84          HD12      ILE  84  -3.553   6.167  -6.244
  683   3HD1  ILE  84          HD13      ILE  84  -4.850   4.998  -6.004
  684    H    LYS  85           HN       LYS  85  -8.446   8.947  -3.249
  685    HA   LYS  85           HA       LYS  85  -8.267   7.268  -0.859
  686   1HB   LYS  85          HB2       LYS  85  -9.282   9.468   0.290
  687   2HB   LYS  85          HB3       LYS  85  -7.562   9.109   0.267
  688   1HG   LYS  85          HG2       LYS  85  -7.099  10.732  -1.282
  689   2HG   LYS  85          HG3       LYS  85  -8.723  10.689  -1.973
  690   1HD   LYS  85          HD2       LYS  85  -8.946  12.624  -0.826
  691   2HD   LYS  85          HD3       LYS  85  -9.314  11.525   0.506
  692   1HE   LYS  85          HE2       LYS  85  -7.058  11.654   1.310
  693   2HE   LYS  85          HE3       LYS  85  -6.558  12.582  -0.103
  694   1HZ   LYS  85          HZ1       LYS  85  -6.835  14.158   1.560
  695   2HZ   LYS  85          HZ2       LYS  85  -8.252  13.440   2.160
  696   3HZ   LYS  85          HZ3       LYS  85  -8.282  14.267   0.677
  697    H    ILE  86           HN       ILE  86 -10.117   6.352  -0.339
  698    HA   ILE  86           HA       ILE  86 -12.487   6.863  -1.906
  699    HB   ILE  86           HB       ILE  86 -12.076   4.995   0.435
  700   1HG1  ILE  86          HG12      ILE  86 -12.302   3.846  -2.251
  701   2HG1  ILE  86          HG13      ILE  86 -10.869   4.841  -2.017
  702   1HG2  ILE  86          HG21      ILE  86 -14.076   4.116  -1.392
  703   2HG2  ILE  86          HG22      ILE  86 -14.229   4.504   0.321
  704   3HG2  ILE  86          HG23      ILE  86 -14.440   5.770  -0.891
  705   1HD1  ILE  86          HD11      ILE  86 -10.398   3.497   0.044
  706   2HD1  ILE  86          HD12      ILE  86 -11.687   2.408  -0.467
  707   3HD1  ILE  86          HD13      ILE  86 -10.263   2.629  -1.485
  708    H    GLU  87           HN       GLU  87 -14.262   7.988  -1.275
  709    HA   GLU  87           HA       GLU  87 -14.171   9.567   1.106
  710   1HB   GLU  87          HB2       GLU  87 -15.322  10.262  -1.014
  711   2HB   GLU  87          HB3       GLU  87 -16.544   9.038  -0.694
  712   1HG   GLU  87          HG2       GLU  87 -17.314  11.231  -0.013
  713   2HG   GLU  87          HG3       GLU  87 -17.149  10.162   1.377
  714    H    LEU  88           HN       LEU  88 -14.195   8.394   2.943
  715    HA   LEU  88           HA       LEU  88 -16.325   6.400   3.248
  716   1HB   LEU  88          HB2       LEU  88 -14.068   5.452   3.338
  717   2HB   LEU  88          HB3       LEU  88 -13.651   6.552   4.638
  718    HG   LEU  88           HG       LEU  88 -15.929   5.233   5.543
  719   1HD1  LEU  88          HD11      LEU  88 -16.037   3.232   4.599
  720   2HD1  LEU  88          HD12      LEU  88 -14.640   3.607   3.588
  721   3HD1  LEU  88          HD13      LEU  88 -14.408   2.887   5.181
  722   1HD2  LEU  88          HD21      LEU  88 -13.135   4.392   6.224
  723   2HD2  LEU  88          HD22      LEU  88 -13.759   5.976   6.691
  724   3HD2  LEU  88          HD23      LEU  88 -14.548   4.508   7.275
  725    HA   PRO  89           HA       PRO  89 -17.792   9.253   6.411
  726   1HB   PRO  89          HB2       PRO  89 -20.045   7.395   6.527
  727   2HB   PRO  89          HB3       PRO  89 -20.037   9.101   6.075
  728   1HG   PRO  89          HG2       PRO  89 -20.492   7.125   4.285
  729   2HG   PRO  89          HG3       PRO  89 -19.688   8.645   3.848
  730   1HD   PRO  89          HD2       PRO  89 -18.488   5.961   4.421
  731   2HD   PRO  89          HD3       PRO  89 -18.074   7.133   3.150
  732    HA   PRO  90           HA       PRO  90 -16.673   7.073  10.139
  733   1HB   PRO  90          HB2       PRO  90 -19.255   8.142  11.201
  734   2HB   PRO  90          HB3       PRO  90 -17.638   8.197  11.914
  735   1HG   PRO  90          HG2       PRO  90 -18.670  10.360  10.772
  736   2HG   PRO  90          HG3       PRO  90 -16.956   9.956  10.560
  737   1HD   PRO  90          HD2       PRO  90 -19.223   9.664   8.646
  738   2HD   PRO  90          HD3       PRO  90 -17.523  10.067   8.332
  739    H    LYS  91           HN       LYS  91 -20.114   6.990   9.254
  740    HA   LYS  91           HA       LYS  91 -20.151   4.234   8.762
  741   1HB   LYS  91          HB2       LYS  91 -20.223   4.667  11.469
  742   2HB   LYS  91          HB3       LYS  91 -21.936   4.627  11.072
  743   1HG   LYS  91          HG2       LYS  91 -21.744   2.417  11.295
  744   2HG   LYS  91          HG3       LYS  91 -20.988   2.469   9.701
  745   1HD   LYS  91          HD2       LYS  91 -19.055   3.096  11.734
  746   2HD   LYS  91          HD3       LYS  91 -19.855   1.568  12.107
  747   1HE   LYS  91          HE2       LYS  91 -18.606   0.548  10.586
  748   2HE   LYS  91          HE3       LYS  91 -19.288   1.584   9.333
  749   1HZ   LYS  91          HZ1       LYS  91 -17.447   2.826   9.248
  750   2HZ   LYS  91          HZ2       LYS  91 -16.691   1.511  10.008
  751   3HZ   LYS  91          HZ3       LYS  91 -17.226   2.830  10.931
  Start of MODEL   10
    1   1H    GLY   1          H1        GLY   1  13.765 -16.034  14.581
    2   2H    GLY   1          H2        GLY   1  13.028 -16.832  13.281
    3   3H    GLY   1          H3        GLY   1  12.111 -15.824  14.288
    4   1HA   GLY   1          HA2       GLY   1  14.055 -14.154  13.455
    5   2HA   GLY   1          HA1       GLY   1  13.779 -15.160  12.039
    6    H    SER   2           HN       SER   2  13.218 -12.428  12.099
    7    HA   SER   2           HA       SER   2  10.379 -12.097  12.553
    8   1HB   SER   2          HB2       SER   2  12.093 -10.105  11.103
    9   2HB   SER   2          HB3       SER   2  10.749  -9.823  12.212
   10    HG   SER   2           HG       SER   2  12.040 -10.147  13.916
   11    H    MET   3           HN       MET   3   9.115 -10.998  10.715
   12    HA   MET   3           HA       MET   3   9.185 -12.762   8.440
   13   1HB   MET   3          HB2       MET   3   7.076 -11.884   9.530
   14   2HB   MET   3          HB3       MET   3   7.451 -10.316   8.826
   15   1HG   MET   3          HG2       MET   3   7.400 -11.368   6.583
   16   2HG   MET   3          HG3       MET   3   6.880 -12.871   7.342
   17   1HE   MET   3          HE1       MET   3   3.439 -12.782   6.767
   18   2HE   MET   3          HE2       MET   3   4.947 -13.600   7.182
   19   3HE   MET   3          HE3       MET   3   3.921 -12.942   8.457
   20    HA   PRO   4           HA       PRO   4  11.764  -9.954   6.079
   21   1HB   PRO   4          HB2       PRO   4  12.046 -11.534   3.914
   22   2HB   PRO   4          HB3       PRO   4  12.911 -11.850   5.422
   23   1HG   PRO   4          HG2       PRO   4  10.446 -13.145   4.342
   24   2HG   PRO   4          HG3       PRO   4  11.828 -13.884   5.171
   25   1HD   PRO   4          HD2       PRO   4   9.441 -13.303   6.391
   26   2HD   PRO   4          HD3       PRO   4  10.991 -13.404   7.247
   27    H    THR   5           HN       THR   5   9.403  -8.939   6.174
   28    HA   THR   5           HA       THR   5   7.633  -9.196   4.036
   29    HB   THR   5           HB       THR   5   7.683  -6.491   5.017
   30    HG1  THR   5           HG1      THR   5   8.624  -7.013   6.892
   31   1HG2  THR   5          HG21      THR   5   5.458  -6.966   5.623
   32   2HG2  THR   5          HG22      THR   5   5.786  -8.692   5.788
   33   3HG2  THR   5          HG23      THR   5   5.761  -7.947   4.189
   34    H    THR   6           HN       THR   6   7.649  -8.521   2.011
   35    HA   THR   6           HA       THR   6   9.658  -6.529   1.186
   36    HB   THR   6           HB       THR   6   8.419  -8.531  -0.681
   37    HG1  THR   6           HG1      THR   6  10.224  -9.010   1.366
   38   1HG2  THR   6          HG21      THR   6  10.095  -6.429  -1.110
   39   2HG2  THR   6          HG22      THR   6   9.970  -7.843  -2.156
   40   3HG2  THR   6          HG23      THR   6  11.239  -7.759  -0.934
   41    H    CYS   7           HN       CYS   7   8.898  -4.721   0.126
   42    HA   CYS   7           HA       CYS   7   6.133  -4.211   0.037
   43   1HB   CYS   7          HB2       CYS   7   8.100  -2.507   0.063
   44   2HB   CYS   7          HB3       CYS   7   8.082  -2.704  -1.690
   45    H    GLY   8           HN       GLY   8   4.661  -4.784  -1.350
   46   1HA   GLY   8          HA1       GLY   8   5.446  -6.323  -3.696
   47   2HA   GLY   8          HA2       GLY   8   3.824  -6.185  -3.030
   48    H    PHE   9           HN       PHE   9   5.145  -3.166  -3.180
   49    HA   PHE   9           HA       PHE   9   3.524  -2.358  -5.384
   50   1HB   PHE   9          HB2       PHE   9   4.665  -1.065  -3.241
   51   2HB   PHE   9          HB3       PHE   9   5.672  -0.521  -4.580
   52    HD1  PHE   9           HD1      PHE   9   2.435  -0.308  -2.985
   53    HD2  PHE   9           HD2      PHE   9   4.649   0.681  -6.480
   54    HE1  PHE   9           HE1      PHE   9   0.708   1.326  -3.611
   55    HE2  PHE   9           HE2      PHE   9   2.927   2.317  -7.113
   56    HZ   PHE   9           HZ       PHE   9   0.954   2.644  -5.680
   57    HA   PRO  10           HA       PRO  10   6.257  -3.345  -8.750
   58   1HB   PRO  10          HB2       PRO  10   5.468  -1.207 -10.362
   59   2HB   PRO  10          HB3       PRO  10   4.708  -2.800 -10.314
   60   1HG   PRO  10          HG2       PRO  10   3.906  -0.271  -8.951
   61   2HG   PRO  10          HG3       PRO  10   2.888  -1.529  -9.676
   62   1HD   PRO  10          HD2       PRO  10   3.184  -1.347  -7.026
   63   2HD   PRO  10          HD3       PRO  10   3.096  -2.929  -7.830
   64    H    ASN  11           HN       ASN  11   8.218  -2.879  -7.782
   65    HA   ASN  11           HA       ASN  11  10.214  -1.858  -7.511
   66   1HB   ASN  11          HB2       ASN  11  10.064  -1.341  -9.913
   67   2HB   ASN  11          HB3       ASN  11   9.174   0.132  -9.542
   68   1HD2  ASN  11          HD21      ASN  11  10.652   1.526 -10.404
   69   2HD2  ASN  11          HD22      ASN  11  12.234   1.773  -9.740
   70    H    CYS  12           HN       CYS  12   9.431  -1.436  -5.344
   71    HA   CYS  12           HA       CYS  12   8.446   1.122  -4.623
   72   1HB   CYS  12          HB2       CYS  12   8.172  -0.808  -3.138
   73   2HB   CYS  12          HB3       CYS  12   9.920  -0.934  -2.958
   74    H    LYS  13           HN       LYS  13   9.723   2.631  -5.648
   75    HA   LYS  13           HA       LYS  13  12.521   2.843  -5.431
   76   1HB   LYS  13          HB2       LYS  13  12.227   5.134  -6.190
   77   2HB   LYS  13          HB3       LYS  13  11.147   4.074  -7.087
   78   1HG   LYS  13          HG2       LYS  13   9.327   4.739  -5.495
   79   2HG   LYS  13          HG3       LYS  13  10.433   5.952  -4.848
   80   1HD   LYS  13          HD2       LYS  13   9.764   5.791  -7.776
   81   2HD   LYS  13          HD3       LYS  13   8.782   6.713  -6.634
   82   1HE   LYS  13          HE2       LYS  13  11.655   7.238  -6.436
   83   2HE   LYS  13          HE3       LYS  13  10.954   7.671  -7.993
   84   1HZ   LYS  13          HZ1       LYS  13  10.493   9.569  -6.901
   85   2HZ   LYS  13          HZ2       LYS  13  10.512   8.848  -5.367
   86   3HZ   LYS  13          HZ3       LYS  13   9.140   8.707  -6.359
   87    H    PHE  14           HN       PHE  14  10.158   3.141  -3.089
   88    HA   PHE  14           HA       PHE  14  11.448   5.240  -1.563
   89   1HB   PHE  14          HB2       PHE  14   8.938   3.626  -1.240
   90   2HB   PHE  14          HB3       PHE  14   9.575   4.571   0.104
   91    HD1  PHE  14           HD1      PHE  14   7.821   4.658  -3.051
   92    HD2  PHE  14           HD2      PHE  14   9.794   7.025  -0.116
   93    HE1  PHE  14           HE1      PHE  14   6.749   6.674  -3.962
   94    HE2  PHE  14           HE2      PHE  14   8.725   9.042  -1.022
   95    HZ   PHE  14           HZ       PHE  14   7.203   8.869  -2.948
   96    H    ARG  15           HN       ARG  15  10.960   1.718  -1.360
   97    HA   ARG  15           HA       ARG  15  12.592   1.602   1.037
   98   1HB   ARG  15          HB2       ARG  15  12.001  -0.614   1.213
   99   2HB   ARG  15          HB3       ARG  15  10.625   0.016   0.325
  100   1HG   ARG  15          HG2       ARG  15  11.769  -0.751  -1.777
  101   2HG   ARG  15          HG3       ARG  15  12.938  -1.575  -0.742
  102   1HD   ARG  15          HD2       ARG  15   9.981  -2.013  -0.464
  103   2HD   ARG  15          HD3       ARG  15  10.954  -2.937  -1.606
  104    HE   ARG  15           HE       ARG  15  11.204  -3.005   1.329
  105   1HH1  ARG  15          HH12      ARG  15  11.925  -4.353  -1.828
  106   2HH1  ARG  15          HH11      ARG  15  12.622  -5.808  -1.181
  107   1HH2  ARG  15          HH22      ARG  15  12.077  -4.906   2.183
  108   2HH2  ARG  15          HH21      ARG  15  12.698  -6.140   1.108
  109    H    SER  16           HN       SER  16  13.013   1.392  -2.383
  110    HA   SER  16           HA       SER  16  15.736   0.397  -2.145
  111   1HB   SER  16          HB2       SER  16  14.494   1.505  -4.654
  112   2HB   SER  16          HB3       SER  16  15.761   0.287  -4.497
  113    HG   SER  16           HG       SER  16  12.980   0.039  -4.046
  114    H    ARG  17           HN       ARG  17  14.516   3.099  -1.211
  115    HA   ARG  17           HA       ARG  17  16.223   5.021  -2.562
  116   1HB   ARG  17          HB2       ARG  17  13.882   5.572  -1.886
  117   2HB   ARG  17          HB3       ARG  17  14.355   5.380  -0.206
  118   1HG   ARG  17          HG2       ARG  17  16.162   7.208  -1.347
  119   2HG   ARG  17          HG3       ARG  17  14.548   7.676  -1.882
  120   1HD   ARG  17          HD2       ARG  17  14.266   8.652   0.098
  121   2HD   ARG  17          HD3       ARG  17  14.257   7.043   0.818
  122    HE   ARG  17           HE       ARG  17  16.410   7.383   1.583
  123   1HH1  ARG  17          HH12      ARG  17  15.433  10.033  -0.490
  124   2HH1  ARG  17          HH11      ARG  17  16.867  10.962  -0.187
  125   1HH2  ARG  17          HH22      ARG  17  18.277   8.618   2.012
  126   2HH2  ARG  17          HH21      ARG  17  18.479  10.170   1.253
  127    H    TYR  18           HN       TYR  18  16.476   2.852  -0.030
  128    HA   TYR  18           HA       TYR  18  18.231   4.569   1.574
  129   1HB   TYR  18          HB2       TYR  18  16.743   2.026   2.204
  130   2HB   TYR  18          HB3       TYR  18  17.963   2.702   3.275
  131    HD1  TYR  18           HD1      TYR  18  14.922   3.867   1.430
  132    HD2  TYR  18           HD2      TYR  18  17.192   3.971   5.023
  133    HE1  TYR  18           HE1      TYR  18  13.202   5.283   2.465
  134    HE2  TYR  18           HE2      TYR  18  15.480   5.387   6.069
  135    HH   TYR  18           HH       TYR  18  12.948   5.761   5.721
  136    H    ARG  19           HN       ARG  19  20.029   3.374   2.677
  137    HA   ARG  19           HA       ARG  19  21.634   2.054   0.671
  138   1HB   ARG  19          HB2       ARG  19  22.080   3.477   3.186
  139   2HB   ARG  19          HB3       ARG  19  23.093   2.050   3.018
  140   1HG   ARG  19          HG2       ARG  19  23.008   3.681   0.609
  141   2HG   ARG  19          HG3       ARG  19  23.645   4.535   2.017
  142   1HD   ARG  19          HD2       ARG  19  25.122   2.510   2.394
  143   2HD   ARG  19          HD3       ARG  19  24.631   1.976   0.787
  144    HE   ARG  19           HE       ARG  19  26.207   4.384   1.399
  145   1HH1  ARG  19          HH12      ARG  19  24.978   2.037  -0.893
  146   2HH1  ARG  19          HH11      ARG  19  26.051   2.529  -2.171
  147   1HH2  ARG  19          HH22      ARG  19  27.609   5.056  -0.283
  148   2HH2  ARG  19          HH21      ARG  19  27.535   4.264  -1.833
  149    H    GLY  20           HN       GLY  20  19.933   0.230   0.782
  150   1HA   GLY  20          HA1       GLY  20  19.927  -2.091   1.065
  151   2HA   GLY  20          HA2       GLY  20  21.145  -1.920   2.320
  152    H    LEU  21           HN       LEU  21  19.975  -0.237   4.079
  153    HA   LEU  21           HA       LEU  21  18.064  -1.884   5.395
  154   1HB   LEU  21          HB2       LEU  21  19.362   0.754   5.981
  155   2HB   LEU  21          HB3       LEU  21  17.981   0.238   6.929
  156    HG   LEU  21           HG       LEU  21  19.508  -1.968   7.137
  157   1HD1  LEU  21          HD11      LEU  21  21.267   0.124   6.173
  158   2HD1  LEU  21          HD12      LEU  21  21.784  -0.526   7.727
  159   3HD1  LEU  21          HD13      LEU  21  21.558  -1.605   6.350
  160   1HD2  LEU  21          HD21      LEU  21  20.058   0.387   8.906
  161   2HD2  LEU  21          HD22      LEU  21  18.478  -0.394   8.888
  162   3HD2  LEU  21          HD23      LEU  21  19.912  -1.316   9.338
  163    H    GLU  22           HN       GLU  22  16.361  -1.976   4.007
  164    HA   GLU  22           HA       GLU  22  15.049   0.187   2.788
  165   1HB   GLU  22          HB2       GLU  22  13.153  -1.479   2.485
  166   2HB   GLU  22          HB3       GLU  22  14.715  -1.920   1.813
  167   1HG   GLU  22          HG2       GLU  22  14.404  -3.873   2.831
  168   2HG   GLU  22          HG3       GLU  22  14.826  -3.027   4.316
  169    H    ASP  23           HN       ASP  23  15.321   0.739   5.602
  170    HA   ASP  23           HA       ASP  23  14.191   2.113   7.008
  171   1HB   ASP  23          HB2       ASP  23  12.895   2.686   4.855
  172   2HB   ASP  23          HB3       ASP  23  11.624   1.670   5.526
  173    H    ASN  24           HN       ASN  24  13.206  -1.097   6.445
  174    HA   ASN  24           HA       ASN  24  12.007  -2.638   7.634
  175   1HB   ASN  24          HB2       ASN  24  13.786  -1.695   9.362
  176   2HB   ASN  24          HB3       ASN  24  12.355  -1.028  10.142
  177   1HD2  ASN  24          HD21      ASN  24  11.934  -2.233  11.830
  178   2HD2  ASN  24          HD22      ASN  24  11.861  -3.965  11.855
  179    H    ARG  25           HN       ARG  25  10.544  -1.004   6.291
  180    HA   ARG  25           HA       ARG  25   8.900   0.865   7.484
  181   1HB   ARG  25          HB2       ARG  25   8.528  -0.818   5.028
  182   2HB   ARG  25          HB3       ARG  25   7.421   0.473   5.476
  183   1HG   ARG  25          HG2       ARG  25  10.040   1.494   5.617
  184   2HG   ARG  25          HG3       ARG  25   9.873   0.639   4.083
  185   1HD   ARG  25          HD2       ARG  25   8.081   1.984   3.409
  186   2HD   ARG  25          HD3       ARG  25   7.813   2.597   5.041
  187    HE   ARG  25           HE       ARG  25   9.566   4.085   4.748
  188   1HH1  ARG  25          HH12      ARG  25   9.225   1.919   2.043
  189   2HH1  ARG  25          HH11      ARG  25  10.427   2.711   1.073
  190   1HH2  ARG  25          HH22      ARG  25  11.142   5.184   3.476
  191   2HH2  ARG  25          HH21      ARG  25  11.517   4.592   1.889
  192    H    HIS  26           HN       HIS  26   6.641   0.924   7.658
  193    HA   HIS  26           HA       HIS  26   5.390  -1.305   8.986
  194   1HB   HIS  26          HB2       HIS  26   5.034   1.414   9.058
  195   2HB   HIS  26          HB3       HIS  26   3.694   0.911   8.035
  196    HD2  HIS  26           HD2      HIS  26   4.276   1.586  11.566
  197    HE1  HIS  26           HE1      HIS  26   1.389  -1.503  11.539
  198    HE2  HIS  26           HE2      HIS  26   2.392   0.396  12.889
  199    H    PHE  27           HN       PHE  27   4.252  -2.873   7.974
  200    HA   PHE  27           HA       PHE  27   3.725  -2.476   5.104
  201   1HB   PHE  27          HB2       PHE  27   4.668  -4.861   6.656
  202   2HB   PHE  27          HB3       PHE  27   3.843  -5.075   5.116
  203    HD1  PHE  27           HD1      PHE  27   6.921  -4.202   6.756
  204    HD2  PHE  27           HD2      PHE  27   4.823  -4.053   3.059
  205    HE1  PHE  27           HE1      PHE  27   9.045  -3.823   5.574
  206    HE2  PHE  27           HE2      PHE  27   6.942  -3.675   1.867
  207    HZ   PHE  27           HZ       PHE  27   9.056  -3.564   3.123
  208    H    TYR  28           HN       TYR  28   1.752  -2.842   4.323
  209    HA   TYR  28           HA       TYR  28  -0.334  -3.644   6.230
  210   1HB   TYR  28          HB2       TYR  28  -0.612  -2.296   3.535
  211   2HB   TYR  28          HB3       TYR  28  -1.919  -2.629   4.667
  212    HD1  TYR  28           HD1      TYR  28  -2.306  -1.202   6.556
  213    HD2  TYR  28           HD2      TYR  28   1.073  -0.569   4.051
  214    HE1  TYR  28           HE1      TYR  28  -1.940   0.991   7.608
  215    HE2  TYR  28           HE2      TYR  28   1.448   1.620   5.100
  216    HH   TYR  28           HH       TYR  28   0.947   2.831   7.039
  217    H    ARG  29           HN       ARG  29  -1.900  -5.173   5.681
  218    HA   ARG  29           HA       ARG  29  -1.066  -7.179   3.744
  219   1HB   ARG  29          HB2       ARG  29  -2.026  -7.502   6.202
  220   2HB   ARG  29          HB3       ARG  29  -3.566  -7.431   5.358
  221   1HG   ARG  29          HG2       ARG  29  -3.063  -9.702   5.486
  222   2HG   ARG  29          HG3       ARG  29  -2.625  -9.245   3.838
  223   1HD   ARG  29          HD2       ARG  29  -0.351  -9.325   4.286
  224   2HD   ARG  29          HD3       ARG  29  -0.589  -9.174   6.025
  225    HE   ARG  29           HE       ARG  29  -1.312 -11.618   4.516
  226   1HH1  ARG  29          HH12      ARG  29   0.168 -10.022   7.276
  227   2HH1  ARG  29          HH11      ARG  29   0.555 -11.516   8.088
  228   1HH2  ARG  29          HH22      ARG  29  -0.775 -13.582   5.588
  229   2HH2  ARG  29          HH21      ARG  29   0.018 -13.516   7.136
  230    H    ILE  30           HN       ILE  30  -2.459  -4.434   3.303
  231    HA   ILE  30           HA       ILE  30  -3.953  -3.466   1.916
  232    HB   ILE  30           HB       ILE  30  -4.102  -6.201   0.652
  233   1HG1  ILE  30          HG12      ILE  30  -2.727  -4.293  -0.944
  234   2HG1  ILE  30          HG13      ILE  30  -2.042  -4.223   0.677
  235   1HG2  ILE  30          HG21      ILE  30  -5.160  -3.527  -0.204
  236   2HG2  ILE  30          HG22      ILE  30  -4.820  -4.804  -1.371
  237   3HG2  ILE  30          HG23      ILE  30  -6.012  -5.067  -0.098
  238   1HD1  ILE  30          HD11      ILE  30  -2.445  -6.919  -0.429
  239   2HD1  ILE  30          HD12      ILE  30  -1.224  -5.927  -1.225
  240   3HD1  ILE  30          HD13      ILE  30  -1.101  -6.257   0.503
  241    HA   PRO  31           HA       PRO  31  -7.275  -4.378   4.920
  242   1HB   PRO  31          HB2       PRO  31  -8.107  -1.988   3.284
  243   2HB   PRO  31          HB3       PRO  31  -8.345  -2.293   5.016
  244   1HG   PRO  31          HG2       PRO  31  -6.355  -0.727   4.270
  245   2HG   PRO  31          HG3       PRO  31  -6.070  -1.980   5.502
  246   1HD   PRO  31          HD2       PRO  31  -5.275  -1.943   2.628
  247   2HD   PRO  31          HD3       PRO  31  -4.424  -2.631   4.028
  248    H    LYS  32           HN       LYS  32  -8.559  -6.046   4.432
  249    HA   LYS  32           HA       LYS  32  -9.696  -6.266   1.757
  250   1HB   LYS  32          HB2       LYS  32 -10.215  -8.439   3.675
  251   2HB   LYS  32          HB3       LYS  32  -9.665  -8.518   2.009
  252   1HG   LYS  32          HG2       LYS  32  -7.430  -7.593   3.061
  253   2HG   LYS  32          HG3       LYS  32  -8.093  -8.330   4.521
  254   1HD   LYS  32          HD2       LYS  32  -7.822  -9.786   1.895
  255   2HD   LYS  32          HD3       LYS  32  -6.590  -9.817   3.158
  256   1HE   LYS  32          HE2       LYS  32  -8.382 -10.656   4.724
  257   2HE   LYS  32          HE3       LYS  32  -9.419 -10.841   3.310
  258   1HZ   LYS  32          HZ1       LYS  32  -8.202 -12.883   4.028
  259   2HZ   LYS  32          HZ2       LYS  32  -6.761 -12.137   3.551
  260   3HZ   LYS  32          HZ3       LYS  32  -7.972 -12.456   2.403
  261    H    ARG  33           HN       ARG  33 -10.613  -4.764   4.358
  262    HA   ARG  33           HA       ARG  33 -13.450  -5.189   3.836
  263   1HB   ARG  33          HB2       ARG  33 -12.901  -6.656   5.743
  264   2HB   ARG  33          HB3       ARG  33 -12.269  -5.269   6.620
  265   1HG   ARG  33          HG2       ARG  33 -14.315  -5.171   7.510
  266   2HG   ARG  33          HG3       ARG  33 -14.766  -4.405   5.986
  267   1HD   ARG  33          HD2       ARG  33 -14.784  -7.366   6.079
  268   2HD   ARG  33          HD3       ARG  33 -16.045  -6.524   6.976
  269    HE   ARG  33           HE       ARG  33 -15.807  -6.772   4.124
  270   1HH1  ARG  33          HH12      ARG  33 -17.096  -4.797   6.728
  271   2HH1  ARG  33          HH11      ARG  33 -18.332  -4.074   5.736
  272   1HH2  ARG  33          HH22      ARG  33 -17.430  -5.808   2.823
  273   2HH2  ARG  33          HH21      ARG  33 -18.484  -4.608   3.509
  274    HA   PRO  34           HA       PRO  34 -15.113  -4.213   3.507
  275   1HB   PRO  34          HB2       PRO  34 -15.910  -2.383   1.669
  276   2HB   PRO  34          HB3       PRO  34 -16.488  -2.381   3.339
  277   1HG   PRO  34          HG2       PRO  34 -14.355  -0.712   2.069
  278   2HG   PRO  34          HG3       PRO  34 -15.614  -0.233   3.223
  279   1HD   PRO  34          HD2       PRO  34 -13.041  -0.706   3.954
  280   2HD   PRO  34          HD3       PRO  34 -14.419  -0.995   5.034
  281    H    LEU  35           HN       LEU  35 -15.219  -5.282   1.501
  282    HA   LEU  35           HA       LEU  35 -12.747  -5.706   0.237
  283   1HB   LEU  35          HB2       LEU  35 -15.411  -6.789   0.096
  284   2HB   LEU  35          HB3       LEU  35 -14.741  -6.611  -1.516
  285    HG   LEU  35           HG       LEU  35 -13.439  -8.115   0.757
  286   1HD1  LEU  35          HD11      LEU  35 -15.383  -8.879  -1.274
  287   2HD1  LEU  35          HD12      LEU  35 -13.941  -9.896  -1.254
  288   3HD1  LEU  35          HD13      LEU  35 -14.904  -9.702   0.211
  289   1HD2  LEU  35          HD21      LEU  35 -11.595  -8.294  -0.476
  290   2HD2  LEU  35          HD22      LEU  35 -12.511  -8.630  -1.946
  291   3HD2  LEU  35          HD23      LEU  35 -12.239  -6.964  -1.438
  292    H    ILE  36           HN       ILE  36 -15.390  -3.570  -0.491
  293    HA   ILE  36           HA       ILE  36 -14.683  -2.960  -3.151
  294    HB   ILE  36           HB       ILE  36 -16.721  -2.204  -1.400
  295   1HG1  ILE  36          HG12      ILE  36 -17.698  -1.183  -3.422
  296   2HG1  ILE  36          HG13      ILE  36 -16.122  -1.251  -4.205
  297   1HG2  ILE  36          HG21      ILE  36 -15.369   0.298  -2.393
  298   2HG2  ILE  36          HG22      ILE  36 -16.856   0.185  -1.452
  299   3HG2  ILE  36          HG23      ILE  36 -15.314  -0.265  -0.723
  300   1HD1  ILE  36          HD11      ILE  36 -18.141  -3.290  -3.948
  301   2HD1  ILE  36          HD12      ILE  36 -16.723  -3.225  -4.995
  302   3HD1  ILE  36          HD13      ILE  36 -16.576  -3.851  -3.351
  303    H    LEU  37           HN       LEU  37 -13.421  -1.974  -0.091
  304    HA   LEU  37           HA       LEU  37 -11.923   0.253  -1.133
  305   1HB   LEU  37          HB2       LEU  37 -12.299   0.655   1.074
  306   2HB   LEU  37          HB3       LEU  37 -12.313  -1.045   1.495
  307    HG   LEU  37           HG       LEU  37  -9.680  -0.651   0.886
  308   1HD1  LEU  37          HD11      LEU  37 -10.822   1.896   1.971
  309   2HD1  LEU  37          HD12      LEU  37  -9.159   1.420   2.314
  310   3HD1  LEU  37          HD13      LEU  37  -9.680   1.667   0.647
  311   1HD2  LEU  37          HD21      LEU  37  -9.470  -1.461   2.949
  312   2HD2  LEU  37          HD22      LEU  37 -10.245  -0.046   3.661
  313   3HD2  LEU  37          HD23      LEU  37 -11.228  -1.381   3.060
  314    H    ARG  38           HN       ARG  38 -11.287  -3.114  -0.205
  315    HA   ARG  38           HA       ARG  38  -8.541  -3.153  -0.783
  316   1HB   ARG  38          HB2       ARG  38  -9.727  -4.991   0.382
  317   2HB   ARG  38          HB3       ARG  38 -10.529  -5.412  -1.125
  318   1HG   ARG  38          HG2       ARG  38  -8.443  -6.036  -2.123
  319   2HG   ARG  38          HG3       ARG  38  -7.553  -5.433  -0.725
  320   1HD   ARG  38          HD2       ARG  38  -8.335  -7.166   0.658
  321   2HD   ARG  38          HD3       ARG  38  -9.600  -7.615  -0.485
  322    HE   ARG  38           HE       ARG  38  -8.062  -8.832  -1.700
  323   1HH1  ARG  38          HH12      ARG  38  -6.424  -7.052   0.843
  324   2HH1  ARG  38          HH11      ARG  38  -4.897  -7.825   0.569
  325   1HH2  ARG  38          HH22      ARG  38  -6.062  -9.863  -2.043
  326   2HH2  ARG  38          HH21      ARG  38  -4.676  -9.401  -1.092
  327    H    GLN  39           HN       GLN  39 -11.376  -3.633  -2.813
  328    HA   GLN  39           HA       GLN  39 -10.137  -4.346  -5.206
  329   1HB   GLN  39          HB2       GLN  39 -12.678  -4.111  -4.508
  330   2HB   GLN  39          HB3       GLN  39 -12.504  -2.521  -5.238
  331   1HG   GLN  39          HG2       GLN  39 -11.380  -4.454  -6.994
  332   2HG   GLN  39          HG3       GLN  39 -12.985  -4.994  -6.506
  333   1HE2  GLN  39          HE21      GLN  39 -14.705  -3.299  -6.639
  334   2HE2  GLN  39          HE22      GLN  39 -14.668  -2.231  -7.999
  335    H    ARG  40           HN       ARG  40 -10.640  -1.194  -3.731
  336    HA   ARG  40           HA       ARG  40  -9.677   0.252  -6.020
  337   1HB   ARG  40          HB2       ARG  40 -10.424   1.030  -3.216
  338   2HB   ARG  40          HB3       ARG  40  -9.646   2.176  -4.298
  339   1HG   ARG  40          HG2       ARG  40 -12.026   0.732  -5.309
  340   2HG   ARG  40          HG3       ARG  40 -12.270   1.983  -4.089
  341   1HD   ARG  40          HD2       ARG  40 -12.480   3.038  -6.208
  342   2HD   ARG  40          HD3       ARG  40 -10.918   3.523  -5.548
  343    HE   ARG  40           HE       ARG  40  -9.845   2.122  -7.121
  344   1HH1  ARG  40          HH12      ARG  40 -13.318   2.273  -7.546
  345   2HH1  ARG  40          HH11      ARG  40 -13.265   1.653  -9.167
  346   1HH2  ARG  40          HH22      ARG  40  -9.772   1.303  -9.243
  347   2HH2  ARG  40          HH21      ARG  40 -11.253   1.116 -10.141
  348    H    TRP  41           HN       TRP  41  -8.308  -1.098  -3.126
  349    HA   TRP  41           HA       TRP  41  -5.851   0.289  -3.078
  350   1HB   TRP  41          HB2       TRP  41  -6.940  -2.204  -1.900
  351   2HB   TRP  41          HB3       TRP  41  -5.188  -2.135  -2.041
  352    HD1  TRP  41           HD1      TRP  41  -7.907   0.339  -0.765
  353    HE1  TRP  41           HE1      TRP  41  -7.044   1.387   1.413
  354    HE3  TRP  41           HE3      TRP  41  -3.388  -2.043  -0.439
  355    HZ2  TRP  41           HZ2      TRP  41  -4.781   1.216   3.066
  356    HZ3  TRP  41           HZ3      TRP  41  -1.938  -1.542   1.488
  357    HH2  TRP  41           HH2      TRP  41  -2.627   0.057   3.201
  358    H    LEU  42           HN       LEU  42  -7.051  -2.358  -5.000
  359    HA   LEU  42           HA       LEU  42  -4.519  -3.260  -5.967
  360   1HB   LEU  42          HB2       LEU  42  -7.115  -3.637  -7.429
  361   2HB   LEU  42          HB3       LEU  42  -5.716  -4.691  -7.400
  362    HG   LEU  42           HG       LEU  42  -7.699  -4.267  -5.166
  363   1HD1  LEU  42          HD11      LEU  42  -7.398  -6.230  -7.314
  364   2HD1  LEU  42          HD12      LEU  42  -7.599  -6.937  -5.709
  365   3HD1  LEU  42          HD13      LEU  42  -8.807  -5.816  -6.338
  366   1HD2  LEU  42          HD21      LEU  42  -6.440  -5.922  -3.915
  367   2HD2  LEU  42          HD22      LEU  42  -5.253  -6.028  -5.216
  368   3HD2  LEU  42          HD23      LEU  42  -5.422  -4.533  -4.294
  369    H    THR  43           HN       THR  43  -6.559  -0.626  -6.740
  370    HA   THR  43           HA       THR  43  -6.064  -0.272  -9.468
  371    HB   THR  43           HB       THR  43  -6.693   1.719  -7.288
  372    HG1  THR  43           HG1      THR  43  -8.140  -0.056  -8.658
  373   1HG2  THR  43          HG21      THR  43  -5.669   2.322  -9.847
  374   2HG2  THR  43          HG22      THR  43  -6.368   3.437  -8.670
  375   3HG2  THR  43          HG23      THR  43  -7.395   2.682  -9.892
  376    H    ALA  44           HN       ALA  44  -4.176   0.668  -6.654
  377    HA   ALA  44           HA       ALA  44  -2.438   2.446  -8.038
  378   1HB   ALA  44          HB1       ALA  44  -1.339   1.243  -5.631
  379   2HB   ALA  44          HB2       ALA  44  -1.697   2.931  -5.995
  380   3HB   ALA  44          HB3       ALA  44  -2.974   1.866  -5.412
  381    H    ILE  45           HN       ILE  45  -2.090  -0.888  -6.907
  382    HA   ILE  45           HA       ILE  45   0.591  -1.102  -7.935
  383    HB   ILE  45           HB       ILE  45   0.301  -3.550  -7.279
  384   1HG1  ILE  45          HG12      ILE  45  -2.247  -2.405  -6.116
  385   2HG1  ILE  45          HG13      ILE  45  -2.117  -3.682  -7.315
  386   1HG2  ILE  45          HG21      ILE  45  -0.183  -1.728  -4.967
  387   2HG2  ILE  45          HG22      ILE  45   0.916  -3.101  -5.098
  388   3HG2  ILE  45          HG23      ILE  45   1.292  -1.586  -5.924
  389   1HD1  ILE  45          HD11      ILE  45  -1.788  -3.774  -4.397
  390   2HD1  ILE  45          HD12      ILE  45  -2.441  -4.974  -5.512
  391   3HD1  ILE  45          HD13      ILE  45  -0.696  -4.785  -5.345
  392    H    GLY  46           HN       GLY  46  -2.526  -1.521  -9.198
  393   1HA   GLY  46          HA1       GLY  46  -3.315  -2.354 -11.186
  394   2HA   GLY  46          HA2       GLY  46  -1.658  -2.252 -11.766
  395    H    ARG  47           HN       ARG  47  -3.079  -4.195  -9.171
  396    HA   ARG  47           HA       ARG  47  -2.001  -6.587 -10.514
  397   1HB   ARG  47          HB2       ARG  47  -1.413  -5.549  -7.965
  398   2HB   ARG  47          HB3       ARG  47  -2.417  -6.964  -7.688
  399   1HG   ARG  47          HG2       ARG  47  -0.700  -8.299  -8.068
  400   2HG   ARG  47          HG3       ARG  47  -0.447  -7.578  -9.660
  401   1HD   ARG  47          HD2       ARG  47   0.542  -6.357  -7.094
  402   2HD   ARG  47          HD3       ARG  47   1.512  -7.444  -8.092
  403    HE   ARG  47           HE       ARG  47   0.410  -4.945  -9.203
  404   1HH1  ARG  47          HH12      ARG  47   3.155  -6.989  -8.465
  405   2HH1  ARG  47          HH11      ARG  47   4.263  -6.074  -9.440
  406   1HH2  ARG  47          HH22      ARG  47   1.857  -3.749 -10.500
  407   2HH2  ARG  47          HH21      ARG  47   3.515  -4.252 -10.620
  408    H    THR  48           HN       THR  48  -3.151  -8.568 -10.158
  409    HA   THR  48           HA       THR  48  -6.020  -8.192 -10.008
  410    HB   THR  48           HB       THR  48  -5.324 -10.953 -10.176
  411    HG1  THR  48           HG1      THR  48  -3.821 -10.992 -11.779
  412   1HG2  THR  48          HG21      THR  48  -7.162  -9.324 -11.271
  413   2HG2  THR  48          HG22      THR  48  -6.767 -10.914 -11.928
  414   3HG2  THR  48          HG23      THR  48  -6.045  -9.464 -12.628
  415    H    GLU  49           HN       GLU  49  -7.284  -9.832  -8.697
  416    HA   GLU  49           HA       GLU  49  -6.406  -9.514  -5.971
  417   1HB   GLU  49          HB2       GLU  49  -8.798 -11.129  -6.277
  418   2HB   GLU  49          HB3       GLU  49  -8.578  -9.588  -5.458
  419   1HG   GLU  49          HG2       GLU  49 -10.095  -8.994  -7.046
  420   2HG   GLU  49          HG3       GLU  49  -8.594  -8.645  -7.901
  421    H    GLU  50           HN       GLU  50  -5.729 -11.763  -8.242
  422    HA   GLU  50           HA       GLU  50  -5.643 -14.009  -6.379
  423   1HB   GLU  50          HB2       GLU  50  -4.471 -14.392  -9.042
  424   2HB   GLU  50          HB3       GLU  50  -5.626 -15.386  -8.167
  425   1HG   GLU  50          HG2       GLU  50  -7.160 -13.251  -8.777
  426   2HG   GLU  50          HG3       GLU  50  -6.064 -13.282 -10.155
  427    H    THR  51           HN       THR  51  -3.694 -11.469  -7.450
  428    HA   THR  51           HA       THR  51  -1.217 -12.954  -6.863
  429    HB   THR  51           HB       THR  51  -0.295 -10.718  -8.019
  430    HG1  THR  51           HG1      THR  51  -1.783 -10.214  -9.761
  431   1HG2  THR  51          HG21      THR  51  -1.435 -13.100  -9.483
  432   2HG2  THR  51          HG22      THR  51   0.182 -12.976  -8.786
  433   3HG2  THR  51          HG23      THR  51  -0.272 -11.957 -10.153
  434    H    VAL  52           HN       VAL  52  -3.231 -10.335  -5.920
  435    HA   VAL  52           HA       VAL  52  -1.217  -8.925  -4.406
  436    HB   VAL  52           HB       VAL  52  -3.124  -7.823  -5.606
  437   1HG1  VAL  52          HG11      VAL  52  -5.327  -7.792  -4.633
  438   2HG1  VAL  52          HG12      VAL  52  -4.857  -9.455  -4.986
  439   3HG1  VAL  52          HG13      VAL  52  -4.800  -8.858  -3.330
  440   1HG2  VAL  52          HG21      VAL  52  -2.330  -7.309  -2.817
  441   2HG2  VAL  52          HG22      VAL  52  -2.268  -6.257  -4.231
  442   3HG2  VAL  52          HG23      VAL  52  -3.787  -6.478  -3.361
  443    H    VAL  53           HN       VAL  53  -1.806 -11.743  -3.661
  444    HA   VAL  53           HA       VAL  53  -2.753 -11.301  -0.911
  445    HB   VAL  53           HB       VAL  53  -3.379 -13.977  -1.654
  446   1HG1  VAL  53          HG11      VAL  53  -4.373 -12.574   0.143
  447   2HG1  VAL  53          HG12      VAL  53  -5.246 -11.682  -1.101
  448   3HG1  VAL  53          HG13      VAL  53  -5.558 -13.402  -0.864
  449   1HG2  VAL  53          HG21      VAL  53  -3.476 -13.166  -3.970
  450   2HG2  VAL  53          HG22      VAL  53  -5.070 -13.623  -3.369
  451   3HG2  VAL  53          HG23      VAL  53  -4.625 -11.918  -3.481
  452    H    SER  54           HN       SER  54  -0.323 -12.559  -2.902
  453    HA   SER  54           HA       SER  54   0.438 -14.773  -1.264
  454   1HB   SER  54          HB2       SER  54   2.595 -13.911  -2.916
  455   2HB   SER  54          HB3       SER  54   1.526 -15.297  -3.143
  456    HG   SER  54           HG       SER  54   1.498 -13.748  -4.896
  457    H    GLN  55           HN       GLN  55   2.970 -12.554  -2.172
  458    HA   GLN  55           HA       GLN  55   3.531 -12.123   0.690
  459   1HB   GLN  55          HB2       GLN  55   5.170 -13.182  -1.266
  460   2HB   GLN  55          HB3       GLN  55   5.687 -11.504  -1.193
  461   1HG   GLN  55          HG2       GLN  55   5.361 -12.805   1.413
  462   2HG   GLN  55          HG3       GLN  55   6.632 -13.477   0.393
  463   1HE2  GLN  55          HE21      GLN  55   8.274 -12.030  -0.384
  464   2HE2  GLN  55          HE22      GLN  55   8.696 -10.629   0.550
  465    H    LEU  56           HN       LEU  56   2.006 -10.653  -1.650
  466    HA   LEU  56           HA       LEU  56   3.295  -8.166  -1.976
  467   1HB   LEU  56          HB2       LEU  56   1.001  -9.437  -2.977
  468   2HB   LEU  56          HB3       LEU  56   0.439  -7.951  -2.236
  469    HG   LEU  56           HG       LEU  56   2.765  -7.398  -3.814
  470   1HD1  LEU  56          HD11      LEU  56   2.540  -8.840  -5.493
  471   2HD1  LEU  56          HD12      LEU  56   0.956  -9.376  -4.930
  472   3HD1  LEU  56          HD13      LEU  56   1.092  -7.930  -5.932
  473   1HD2  LEU  56          HD21      LEU  56   0.086  -6.535  -4.694
  474   2HD2  LEU  56          HD22      LEU  56   0.547  -6.099  -3.049
  475   3HD2  LEU  56          HD23      LEU  56   1.550  -5.594  -4.408
  476    H    ARG  57           HN       ARG  57   3.763  -6.928  -0.319
  477    HA   ARG  57           HA       ARG  57   1.583  -6.155   1.499
  478   1HB   ARG  57          HB2       ARG  57   4.235  -7.227   2.120
  479   2HB   ARG  57          HB3       ARG  57   3.934  -5.683   2.903
  480   1HG   ARG  57          HG2       ARG  57   3.260  -7.338   4.429
  481   2HG   ARG  57          HG3       ARG  57   1.775  -6.669   3.752
  482   1HD   ARG  57          HD2       ARG  57   1.536  -9.043   3.823
  483   2HD   ARG  57          HD3       ARG  57   1.744  -8.572   2.136
  484    HE   ARG  57           HE       ARG  57   4.153  -9.238   2.483
  485   1HH1  ARG  57          HH12      ARG  57   1.530 -10.697   4.282
  486   2HH1  ARG  57          HH11      ARG  57   2.375 -12.189   4.548
  487   1HH2  ARG  57          HH22      ARG  57   5.283 -11.180   2.871
  488   2HH2  ARG  57          HH21      ARG  57   4.510 -12.450   3.776
  489    H    ILE  58           HN       ILE  58   1.337  -3.957   1.726
  490    HA   ILE  58           HA       ILE  58   3.074  -2.323   0.022
  491    HB   ILE  58           HB       ILE  58   0.422  -1.592   1.274
  492   1HG1  ILE  58          HG12      ILE  58   0.032  -3.349  -0.316
  493   2HG1  ILE  58          HG13      ILE  58  -0.437  -1.835  -1.081
  494   1HG2  ILE  58          HG21      ILE  58   1.613   0.400   0.847
  495   2HG2  ILE  58          HG22      ILE  58   2.191  -0.192  -0.711
  496   3HG2  ILE  58          HG23      ILE  58   0.486   0.211  -0.499
  497   1HD1  ILE  58          HD11      ILE  58   1.695  -1.799  -2.289
  498   2HD1  ILE  58          HD12      ILE  58   2.134  -3.335  -1.543
  499   3HD1  ILE  58          HD13      ILE  58   0.755  -3.249  -2.642
  500    H    CYS  59           HN       CYS  59   4.406  -0.805   0.826
  501    HA   CYS  59           HA       CYS  59   4.594  -0.652   3.711
  502   1HB   CYS  59          HB2       CYS  59   6.820  -0.237   3.438
  503   2HB   CYS  59          HB3       CYS  59   6.468  -1.060   1.939
  504    H    SER  60           HN       SER  60   4.977   1.382   4.792
  505    HA   SER  60           HA       SER  60   2.723   3.016   4.360
  506   1HB   SER  60          HB2       SER  60   4.677   2.596   6.425
  507   2HB   SER  60          HB3       SER  60   4.412   4.323   6.192
  508    HG   SER  60           HG       SER  60   2.605   4.091   7.208
  509    H    ALA  61           HN       ALA  61   5.559   3.182   2.688
  510    HA   ALA  61           HA       ALA  61   5.818   6.082   2.703
  511   1HB   ALA  61          HB1       ALA  61   7.394   3.823   1.648
  512   2HB   ALA  61          HB2       ALA  61   7.495   5.340   0.755
  513   3HB   ALA  61          HB3       ALA  61   7.919   5.292   2.467
  514    H    HIS  62           HN       HIS  62   3.556   4.278   1.486
  515    HA   HIS  62           HA       HIS  62   3.423   5.703  -1.091
  516   1HB   HIS  62          HB2       HIS  62   2.149   3.051  -0.335
  517   2HB   HIS  62          HB3       HIS  62   2.029   3.841  -1.921
  518    HD1  HIS  62           HD1      HIS  62   4.250   3.666  -3.439
  519    HD2  HIS  62           HD2      HIS  62   4.385   1.850   0.293
  520    HE1  HIS  62           HE1      HIS  62   6.367   2.221  -3.397
  521    H    PHE  63           HN       PHE  63   2.621   6.534   1.609
  522    HA   PHE  63           HA       PHE  63  -0.177   7.176   1.017
  523   1HB   PHE  63          HB2       PHE  63   0.873   6.204   3.687
  524   2HB   PHE  63          HB3       PHE  63  -0.733   6.876   3.428
  525    HD1  PHE  63           HD1      PHE  63  -2.405   5.641   2.147
  526    HD2  PHE  63           HD2      PHE  63   1.412   3.972   3.019
  527    HE1  PHE  63           HE1      PHE  63  -3.254   3.403   1.581
  528    HE2  PHE  63           HE2      PHE  63   0.568   1.735   2.448
  529    HZ   PHE  63           HZ       PHE  63  -1.765   1.449   1.732
  530    H    GLU  64           HN       GLU  64  -0.381   9.325   1.001
  531    HA   GLU  64           HA       GLU  64   1.490  11.130   2.108
  532   1HB   GLU  64          HB2       GLU  64  -0.039  11.803   0.327
  533   2HB   GLU  64          HB3       GLU  64  -1.420  11.542   1.383
  534   1HG   GLU  64          HG2       GLU  64  -1.137  13.838   1.416
  535   2HG   GLU  64          HG3       GLU  64  -0.342  13.308   2.899
  536    H    GLY  65           HN       GLY  65   1.926  11.253   4.192
  537   1HA   GLY  65          HA1       GLY  65   1.061  11.988   6.394
  538   2HA   GLY  65          HA2       GLY  65  -0.288  10.892   6.124
  539    H    GLY  66           HN       GLY  66   1.276   8.797   4.960
  540   1HA   GLY  66          HA1       GLY  66   2.999   7.283   5.439
  541   2HA   GLY  66          HA2       GLY  66   3.281   8.111   6.961
  542    H    GLU  67           HN       GLU  67  -0.017   7.444   6.466
  543    HA   GLU  67           HA       GLU  67   0.077   4.797   7.620
  544   1HB   GLU  67          HB2       GLU  67   0.411   6.488   9.510
  545   2HB   GLU  67          HB3       GLU  67  -1.257   6.960   9.235
  546   1HG   GLU  67          HG2       GLU  67  -1.826   4.493   9.564
  547   2HG   GLU  67          HG3       GLU  67  -0.197   4.339  10.221
  548    H    LYS  68           HN       LYS  68  -1.659   3.639   7.071
  549    HA   LYS  68           HA       LYS  68  -3.934   4.820   5.750
  550   1HB   LYS  68          HB2       LYS  68  -3.031   2.546   5.232
  551   2HB   LYS  68          HB3       LYS  68  -3.625   2.011   6.799
  552   1HG   LYS  68          HG2       LYS  68  -5.805   3.251   5.579
  553   2HG   LYS  68          HG3       LYS  68  -5.033   2.303   4.305
  554   1HD   LYS  68          HD2       LYS  68  -6.437   0.732   5.223
  555   2HD   LYS  68          HD3       LYS  68  -4.965   0.449   6.154
  556   1HE   LYS  68          HE2       LYS  68  -6.245   0.684   7.965
  557   2HE   LYS  68          HE3       LYS  68  -6.231   2.409   7.602
  558   1HZ   LYS  68          HZ1       LYS  68  -8.474   1.698   7.920
  559   2HZ   LYS  68          HZ2       LYS  68  -8.301   0.441   6.798
  560   3HZ   LYS  68          HZ3       LYS  68  -8.266   2.052   6.274
  561    H    LYS  69           HN       LYS  69  -5.454   5.881   6.857
  562    HA   LYS  69           HA       LYS  69  -5.990   5.039   9.636
  563   1HB   LYS  69          HB2       LYS  69  -6.261   7.781   8.392
  564   2HB   LYS  69          HB3       LYS  69  -6.704   7.376  10.044
  565   1HG   LYS  69          HG2       LYS  69  -4.217   6.571  10.194
  566   2HG   LYS  69          HG3       LYS  69  -4.007   7.662   8.822
  567   1HD   LYS  69          HD2       LYS  69  -4.474   9.531  10.061
  568   2HD   LYS  69          HD3       LYS  69  -5.499   8.651  11.197
  569   1HE   LYS  69          HE2       LYS  69  -2.522   8.255  11.052
  570   2HE   LYS  69          HE3       LYS  69  -3.264   9.487  12.074
  571   1HZ   LYS  69          HZ1       LYS  69  -3.021   6.683  12.515
  572   2HZ   LYS  69          HZ2       LYS  69  -4.640   7.181  12.632
  573   3HZ   LYS  69          HZ3       LYS  69  -3.459   7.912  13.601
  574    H    GLU  70           HN       GLU  70  -7.343   5.907   6.555
  575    HA   GLU  70           HA       GLU  70  -9.994   5.026   7.492
  576   1HB   GLU  70          HB2       GLU  70  -9.207   7.584   6.208
  577   2HB   GLU  70          HB3       GLU  70 -10.680   6.835   5.611
  578   1HG   GLU  70          HG2       GLU  70 -11.192   6.671   8.209
  579   2HG   GLU  70          HG3       GLU  70 -10.099   8.055   8.241
  580    H    GLY  71           HN       GLY  71 -10.461   6.102   4.494
  581   1HA   GLY  71          HA1       GLY  71  -9.936   3.495   3.282
  582   2HA   GLY  71          HA2       GLY  71 -10.960   4.763   2.619
  583    H    ASP  72           HN       ASP  72  -7.615   4.848   3.776
  584    HA   ASP  72           HA       ASP  72  -6.770   6.417   1.541
  585   1HB   ASP  72          HB2       ASP  72  -4.930   4.979   3.459
  586   2HB   ASP  72          HB3       ASP  72  -4.632   6.471   2.570
  587    H    ILE  73           HN       ILE  73  -6.379   5.632  -0.407
  588    HA   ILE  73           HA       ILE  73  -5.560   2.858  -0.777
  589    HB   ILE  73           HB       ILE  73  -6.162   5.069  -2.761
  590   1HG1  ILE  73          HG12      ILE  73  -7.755   2.555  -2.433
  591   2HG1  ILE  73          HG13      ILE  73  -8.009   3.904  -1.329
  592   1HG2  ILE  73          HG21      ILE  73  -5.480   3.804  -4.476
  593   2HG2  ILE  73          HG22      ILE  73  -4.566   2.905  -3.265
  594   3HG2  ILE  73          HG23      ILE  73  -6.153   2.331  -3.776
  595   1HD1  ILE  73          HD11      ILE  73  -8.372   3.881  -4.313
  596   2HD1  ILE  73          HD12      ILE  73  -9.612   4.068  -3.073
  597   3HD1  ILE  73          HD13      ILE  73  -8.422   5.345  -3.328
  598    HA   PRO  74           HA       PRO  74  -1.275   4.053  -0.858
  599   1HB   PRO  74          HB2       PRO  74  -0.274   2.047  -2.424
  600   2HB   PRO  74          HB3       PRO  74  -0.669   1.847  -0.714
  601   1HG   PRO  74          HG2       PRO  74  -2.249   1.068  -3.128
  602   2HG   PRO  74          HG3       PRO  74  -2.021   0.191  -1.604
  603   1HD   PRO  74          HD2       PRO  74  -4.269   1.594  -2.161
  604   2HD   PRO  74          HD3       PRO  74  -3.640   1.411  -0.515
  605    H    VAL  75           HN       VAL  75   0.044   5.264  -2.214
  606    HA   VAL  75           HA       VAL  75  -0.855   5.424  -5.012
  607    HB   VAL  75           HB       VAL  75   0.438   7.730  -4.862
  608   1HG1  VAL  75          HG11      VAL  75  -2.002   7.192  -5.374
  609   2HG1  VAL  75          HG12      VAL  75  -2.321   7.561  -3.681
  610   3HG1  VAL  75          HG13      VAL  75  -1.647   8.797  -4.739
  611   1HG2  VAL  75          HG21      VAL  75   0.812   8.608  -2.837
  612   2HG2  VAL  75          HG22      VAL  75  -0.754   8.074  -2.226
  613   3HG2  VAL  75          HG23      VAL  75   0.618   6.967  -2.221
  614    HA   PRO  76           HA       PRO  76   2.991   4.015  -6.512
  615   1HB   PRO  76          HB2       PRO  76   2.982   6.269  -8.427
  616   2HB   PRO  76          HB3       PRO  76   2.986   4.530  -8.739
  617   1HG   PRO  76          HG2       PRO  76   0.800   6.026  -9.158
  618   2HG   PRO  76          HG3       PRO  76   0.692   4.356  -8.574
  619   1HD   PRO  76          HD2       PRO  76   0.366   6.924  -7.067
  620   2HD   PRO  76          HD3       PRO  76  -0.485   5.372  -6.875
  621    H    ASP  77           HN       ASP  77   2.633   7.475  -6.150
  622    HA   ASP  77           HA       ASP  77   5.171   7.761  -4.826
  623   1HB   ASP  77          HB2       ASP  77   5.623   7.784  -7.360
  624   2HB   ASP  77          HB3       ASP  77   4.736   9.301  -7.394
  625    HA   PRO  78           HA       PRO  78   1.952  10.585  -3.259
  626   1HB   PRO  78          HB2       PRO  78   3.242  11.140  -0.915
  627   2HB   PRO  78          HB3       PRO  78   2.209   9.728  -1.156
  628   1HG   PRO  78          HG2       PRO  78   5.186   9.943  -1.278
  629   2HG   PRO  78          HG3       PRO  78   4.185   8.677  -0.542
  630   1HD   PRO  78          HD2       PRO  78   5.356   8.340  -2.947
  631   2HD   PRO  78          HD3       PRO  78   3.760   7.652  -2.579
  632    H    THR  79           HN       THR  79   5.254  11.079  -3.996
  633    HA   THR  79           HA       THR  79   5.123  13.948  -3.517
  634    HB   THR  79           HB       THR  79   7.500  13.273  -4.909
  635    HG1  THR  79           HG1      THR  79   7.156  11.096  -4.354
  636   1HG2  THR  79          HG21      THR  79   7.326  13.553  -1.931
  637   2HG2  THR  79          HG22      THR  79   6.973  14.925  -2.982
  638   3HG2  THR  79          HG23      THR  79   8.560  14.158  -3.037
  639    H    VAL  80           HN       VAL  80   4.274  11.806  -5.954
  640    HA   VAL  80           HA       VAL  80   4.492  13.931  -7.988
  641    HB   VAL  80           HB       VAL  80   5.059  10.984  -8.309
  642   1HG1  VAL  80          HG11      VAL  80   5.057  12.799 -10.668
  643   2HG1  VAL  80          HG12      VAL  80   4.838  11.051 -10.584
  644   3HG1  VAL  80          HG13      VAL  80   3.523  12.127 -10.113
  645   1HG2  VAL  80          HG21      VAL  80   7.210  11.569  -8.692
  646   2HG2  VAL  80          HG22      VAL  80   6.773  13.079  -9.493
  647   3HG2  VAL  80          HG23      VAL  80   6.758  12.976  -7.732
  648    H    ASP  81           HN       ASP  81   2.899  10.783  -7.428
  649    HA   ASP  81           HA       ASP  81   0.657  11.490  -9.074
  650   1HB   ASP  81          HB2       ASP  81   1.706   9.115  -8.461
  651   2HB   ASP  81          HB3       ASP  81   0.513   9.193  -7.167
  652    H    LYS  82           HN       LYS  82  -1.592  11.123  -8.155
  653    HA   LYS  82           HA       LYS  82  -1.854  12.919  -5.863
  654   1HB   LYS  82          HB2       LYS  82  -4.279  12.023  -7.302
  655   2HB   LYS  82          HB3       LYS  82  -3.830  13.628  -6.742
  656   1HG   LYS  82          HG2       LYS  82  -3.433  14.149  -8.860
  657   2HG   LYS  82          HG3       LYS  82  -2.034  13.077  -8.789
  658   1HD   LYS  82          HD2       LYS  82  -3.824  11.223  -9.287
  659   2HD   LYS  82          HD3       LYS  82  -4.755  12.584  -9.914
  660   1HE   LYS  82          HE2       LYS  82  -3.563  12.584 -11.789
  661   2HE   LYS  82          HE3       LYS  82  -2.063  12.744 -10.876
  662   1HZ   LYS  82          HZ1       LYS  82  -3.456  10.209 -11.564
  663   2HZ   LYS  82          HZ2       LYS  82  -2.082  10.313 -10.569
  664   3HZ   LYS  82          HZ3       LYS  82  -1.983  10.764 -12.201
  665    H    GLN  83           HN       GLN  83  -1.783  11.854  -4.026
  666    HA   GLN  83           HA       GLN  83  -2.388   9.428  -3.151
  667   1HB   GLN  83          HB2       GLN  83  -1.741  11.137  -1.606
  668   2HB   GLN  83          HB3       GLN  83  -3.220  12.040  -1.892
  669   1HG   GLN  83          HG2       GLN  83  -3.370  10.962   0.233
  670   2HG   GLN  83          HG3       GLN  83  -4.499  10.186  -0.877
  671   1HE2  GLN  83          HE21      GLN  83  -4.590   8.108  -0.505
  672   2HE2  GLN  83          HE22      GLN  83  -3.257   7.066  -0.158
  673    H    ILE  84           HN       ILE  84  -3.963   8.055  -3.711
  674    HA   ILE  84           HA       ILE  84  -6.622   9.033  -4.258
  675    HB   ILE  84           HB       ILE  84  -6.032   6.107  -4.170
  676   1HG1  ILE  84          HG12      ILE  84  -5.588   7.110  -6.825
  677   2HG1  ILE  84          HG13      ILE  84  -4.467   7.904  -5.716
  678   1HG2  ILE  84          HG21      ILE  84  -7.468   6.597  -6.406
  679   2HG2  ILE  84          HG22      ILE  84  -8.175   6.280  -4.820
  680   3HG2  ILE  84          HG23      ILE  84  -7.980   7.940  -5.383
  681   1HD1  ILE  84          HD11      ILE  84  -3.298   6.044  -6.414
  682   2HD1  ILE  84          HD12      ILE  84  -3.987   5.506  -4.884
  683   3HD1  ILE  84          HD13      ILE  84  -4.728   5.011  -6.405
  684    H    LYS  85           HN       LYS  85  -8.195   9.116  -2.757
  685    HA   LYS  85           HA       LYS  85  -8.080   7.240  -0.515
  686   1HB   LYS  85          HB2       LYS  85  -7.269   8.912   0.769
  687   2HB   LYS  85          HB3       LYS  85  -7.747  10.156  -0.372
  688   1HG   LYS  85          HG2       LYS  85  -9.225  10.760   1.179
  689   2HG   LYS  85          HG3       LYS  85 -10.154   9.353   0.657
  690   1HD   LYS  85          HD2       LYS  85  -9.462   8.066   2.457
  691   2HD   LYS  85          HD3       LYS  85  -8.016   9.040   2.728
  692   1HE   LYS  85          HE2       LYS  85  -9.326   9.726   4.478
  693   2HE   LYS  85          HE3       LYS  85  -9.758  10.921   3.256
  694   1HZ   LYS  85          HZ1       LYS  85 -11.412   8.625   3.053
  695   2HZ   LYS  85          HZ2       LYS  85 -11.854  10.242   3.300
  696   3HZ   LYS  85          HZ3       LYS  85 -11.469   9.254   4.628
  697    H    ILE  86           HN       ILE  86 -10.031   6.529   0.188
  698    HA   ILE  86           HA       ILE  86 -12.413   7.669  -1.123
  699    HB   ILE  86           HB       ILE  86 -12.657   5.070   0.276
  700   1HG1  ILE  86          HG12      ILE  86 -11.650   4.821  -2.492
  701   2HG1  ILE  86          HG13      ILE  86 -10.450   5.262  -1.281
  702   1HG2  ILE  86          HG21      ILE  86 -14.294   4.638  -1.309
  703   2HG2  ILE  86          HG22      ILE  86 -14.412   6.382  -1.077
  704   3HG2  ILE  86          HG23      ILE  86 -13.581   5.736  -2.491
  705   1HD1  ILE  86          HD11      ILE  86 -11.317   2.714  -1.901
  706   2HD1  ILE  86          HD12      ILE  86 -10.369   3.193  -0.493
  707   3HD1  ILE  86          HD13      ILE  86 -12.126   3.088  -0.379
  708    H    GLU  87           HN       GLU  87 -14.242   8.117   0.125
  709    HA   GLU  87           HA       GLU  87 -13.801   8.724   2.885
  710   1HB   GLU  87          HB2       GLU  87 -16.264   8.782   1.137
  711   2HB   GLU  87          HB3       GLU  87 -16.303   9.201   2.846
  712   1HG   GLU  87          HG2       GLU  87 -14.699  10.583   0.703
  713   2HG   GLU  87          HG3       GLU  87 -16.159  11.190   1.482
  714    H    LEU  88           HN       LEU  88 -14.451   7.609   4.666
  715    HA   LEU  88           HA       LEU  88 -14.733   4.766   4.210
  716   1HB   LEU  88          HB2       LEU  88 -13.083   5.768   5.808
  717   2HB   LEU  88          HB3       LEU  88 -14.431   6.262   6.813
  718    HG   LEU  88           HG       LEU  88 -14.880   3.565   6.464
  719   1HD1  LEU  88          HD11      LEU  88 -11.927   4.004   6.882
  720   2HD1  LEU  88          HD12      LEU  88 -12.778   2.462   6.982
  721   3HD1  LEU  88          HD13      LEU  88 -12.668   3.311   5.440
  722   1HD2  LEU  88          HD21      LEU  88 -15.261   4.288   8.583
  723   2HD2  LEU  88          HD22      LEU  88 -13.667   3.575   8.836
  724   3HD2  LEU  88          HD23      LEU  88 -13.827   5.317   8.607
  725    HA   PRO  89           HA       PRO  89 -19.119   4.737   5.175
  726   1HB   PRO  89          HB2       PRO  89 -18.699   1.837   5.396
  727   2HB   PRO  89          HB3       PRO  89 -19.743   2.730   4.289
  728   1HG   PRO  89          HG2       PRO  89 -17.508   1.481   3.454
  729   2HG   PRO  89          HG3       PRO  89 -18.077   2.992   2.718
  730   1HD   PRO  89          HD2       PRO  89 -15.889   2.561   4.718
  731   2HD   PRO  89          HD3       PRO  89 -15.931   3.644   3.310
  732    HA   PRO  90           HA       PRO  90 -19.044   4.595   9.582
  733   1HB   PRO  90          HB2       PRO  90 -21.558   3.507  10.029
  734   2HB   PRO  90          HB3       PRO  90 -21.224   5.219   9.752
  735   1HG   PRO  90          HG2       PRO  90 -22.163   3.132   7.831
  736   2HG   PRO  90          HG3       PRO  90 -22.655   4.830   7.971
  737   1HD   PRO  90          HD2       PRO  90 -20.973   4.030   6.053
  738   2HD   PRO  90          HD3       PRO  90 -20.759   5.596   6.864
  739    H    LYS  91           HN       LYS  91 -18.174   3.205  10.964
  740    HA   LYS  91           HA       LYS  91 -17.859   0.453  10.322
  741   1HB   LYS  91          HB2       LYS  91 -16.130   1.655  11.549
  742   2HB   LYS  91          HB3       LYS  91 -17.253   1.988  12.860
  743   1HG   LYS  91          HG2       LYS  91 -17.401  -0.679  12.852
  744   2HG   LYS  91          HG3       LYS  91 -15.768  -0.482  12.212
  745   1HD   LYS  91          HD2       LYS  91 -15.674  -0.676  14.618
  746   2HD   LYS  91          HD3       LYS  91 -15.223   0.962  14.139
  747   1HE   LYS  91          HE2       LYS  91 -16.790   1.764  15.491
  748   2HE   LYS  91          HE3       LYS  91 -18.018   0.959  14.514
  749   1HZ   LYS  91          HZ1       LYS  91 -17.137   0.346  17.133
  750   2HZ   LYS  91          HZ2       LYS  91 -16.914  -0.997  16.121
  751   3HZ   LYS  91          HZ3       LYS  91 -18.450  -0.297  16.268
  Start of MODEL   11
    1   1H    GLY   1          H1        GLY   1  17.171 -12.867  -2.764
    2   2H    GLY   1          H2        GLY   1  18.664 -13.419  -2.173
    3   3H    GLY   1          H3        GLY   1  17.778 -12.268  -1.298
    4   1HA   GLY   1          HA2       GLY   1  17.049 -15.105  -1.753
    5   2HA   GLY   1          HA1       GLY   1  17.513 -14.363  -0.225
    6    H    SER   2           HN       SER   2  15.184 -15.708  -0.264
    7    HA   SER   2           HA       SER   2  12.969 -14.013  -0.932
    8   1HB   SER   2          HB2       SER   2  12.290 -16.135   0.900
    9   2HB   SER   2          HB3       SER   2  11.845 -15.948  -0.797
   10    HG   SER   2           HG       SER   2  13.964 -17.361   0.364
   11    H    MET   3           HN       MET   3  13.747 -12.156   0.315
   12    HA   MET   3           HA       MET   3  13.824 -12.240   3.161
   13   1HB   MET   3          HB2       MET   3  14.859 -10.518   1.473
   14   2HB   MET   3          HB3       MET   3  13.305  -9.718   1.632
   15   1HG   MET   3          HG2       MET   3  13.635  -9.220   3.864
   16   2HG   MET   3          HG3       MET   3  14.863 -10.469   4.063
   17   1HE   MET   3          HE1       MET   3  13.774  -7.194   2.999
   18   2HE   MET   3          HE2       MET   3  15.205  -6.171   3.136
   19   3HE   MET   3          HE3       MET   3  14.804  -6.924   1.593
   20    HA   PRO   4           HA       PRO   4   9.420 -12.398   3.716
   21   1HB   PRO   4          HB2       PRO   4   9.437 -12.013   6.419
   22   2HB   PRO   4          HB3       PRO   4   9.808 -13.559   5.650
   23   1HG   PRO   4          HG2       PRO   4  11.672 -11.473   6.706
   24   2HG   PRO   4          HG3       PRO   4  11.766 -13.237   6.858
   25   1HD   PRO   4          HD2       PRO   4  13.246 -11.870   5.067
   26   2HD   PRO   4          HD3       PRO   4  12.630 -13.501   4.733
   27    H    THR   5           HN       THR   5   7.733 -11.008   4.065
   28    HA   THR   5           HA       THR   5   6.586  -9.063   4.188
   29    HB   THR   5           HB       THR   5   8.538  -7.530   5.756
   30    HG1  THR   5           HG1      THR   5   9.111  -9.496   6.623
   31   1HG2  THR   5          HG21      THR   5   6.237  -7.982   7.239
   32   2HG2  THR   5          HG22      THR   5   5.682  -7.977   5.565
   33   3HG2  THR   5          HG23      THR   5   6.564  -6.590   6.204
   34    H    THR   6           HN       THR   6   7.569  -9.165   1.886
   35    HA   THR   6           HA       THR   6   9.211  -6.792   1.366
   36    HB   THR   6           HB       THR   6   8.778  -8.287  -1.010
   37    HG1  THR   6           HG1      THR   6   9.972 -10.016   0.854
   38   1HG2  THR   6          HG21      THR   6  11.071  -7.637   0.786
   39   2HG2  THR   6          HG22      THR   6  10.804  -7.195  -0.897
   40   3HG2  THR   6          HG23      THR   6  11.303  -8.833  -0.489
   41    H    CYS   7           HN       CYS   7   8.580  -5.274  -0.205
   42    HA   CYS   7           HA       CYS   7   5.788  -4.786  -0.428
   43   1HB   CYS   7          HB2       CYS   7   7.681  -3.056  -0.383
   44   2HB   CYS   7          HB3       CYS   7   7.942  -3.456  -2.073
   45    H    GLY   8           HN       GLY   8   4.480  -4.890  -2.209
   46   1HA   GLY   8          HA1       GLY   8   5.460  -6.592  -4.411
   47   2HA   GLY   8          HA2       GLY   8   3.776  -6.448  -3.919
   48    H    PHE   9           HN       PHE   9   5.291  -3.481  -3.786
   49    HA   PHE   9           HA       PHE   9   3.703  -2.420  -5.889
   50   1HB   PHE   9          HB2       PHE   9   5.054  -1.406  -3.682
   51   2HB   PHE   9          HB3       PHE   9   5.901  -0.705  -5.058
   52    HD1  PHE   9           HD1      PHE   9   5.051   1.150  -6.111
   53    HD2  PHE   9           HD2      PHE   9   2.489  -1.198  -3.665
   54    HE1  PHE   9           HE1      PHE   9   3.281   2.835  -6.358
   55    HE2  PHE   9           HE2      PHE   9   0.708   0.478  -3.906
   56    HZ   PHE   9           HZ       PHE   9   1.109   2.509  -5.260
   57    HA   PRO  10           HA       PRO  10   6.452  -3.090  -9.296
   58   1HB   PRO  10          HB2       PRO  10   5.369  -1.288 -11.025
   59   2HB   PRO  10          HB3       PRO  10   4.626  -2.852 -10.671
   60   1HG   PRO  10          HG2       PRO  10   3.978  -0.150  -9.558
   61   2HG   PRO  10          HG3       PRO  10   2.877  -1.435 -10.090
   62   1HD   PRO  10          HD2       PRO  10   3.441  -0.994  -7.482
   63   2HD   PRO  10          HD3       PRO  10   3.109  -2.618  -8.121
   64    H    ASN  11           HN       ASN  11   5.942  -0.023  -7.816
   65    HA   ASN  11           HA       ASN  11   8.586   0.850  -8.682
   66   1HB   ASN  11          HB2       ASN  11   7.542   3.215  -8.965
   67   2HB   ASN  11          HB3       ASN  11   7.406   2.054 -10.276
   68   1HD2  ASN  11          HD21      ASN  11   5.670   3.493 -10.944
   69   2HD2  ASN  11          HD22      ASN  11   4.091   3.264 -10.271
   70    H    CYS  12           HN       CYS  12   8.197  -0.141  -6.227
   71    HA   CYS  12           HA       CYS  12   7.773   1.948  -4.315
   72   1HB   CYS  12          HB2       CYS  12   7.597  -0.539  -3.836
   73   2HB   CYS  12          HB3       CYS  12   9.354  -0.606  -3.911
   74    H    LYS  13           HN       LYS  13   9.012   3.664  -5.021
   75    HA   LYS  13           HA       LYS  13  11.809   3.337  -5.633
   76   1HB   LYS  13          HB2       LYS  13  11.785   5.612  -6.292
   77   2HB   LYS  13          HB3       LYS  13  10.252   4.928  -6.815
   78   1HG   LYS  13          HG2       LYS  13   9.917   5.993  -4.196
   79   2HG   LYS  13          HG3       LYS  13  10.706   7.207  -5.205
   80   1HD   LYS  13          HD2       LYS  13   8.322   5.713  -6.230
   81   2HD   LYS  13          HD3       LYS  13   8.108   7.080  -5.133
   82   1HE   LYS  13          HE2       LYS  13   9.614   7.155  -7.746
   83   2HE   LYS  13          HE3       LYS  13   7.967   7.735  -7.509
   84   1HZ   LYS  13          HZ1       LYS  13   9.456   9.578  -7.413
   85   2HZ   LYS  13          HZ2       LYS  13  10.438   8.812  -6.261
   86   3HZ   LYS  13          HZ3       LYS  13   8.868   9.309  -5.840
   87    H    PHE  14           HN       PHE  14  10.242   3.443  -2.792
   88    HA   PHE  14           HA       PHE  14  11.849   5.325  -1.352
   89   1HB   PHE  14          HB2       PHE  14   9.984   3.127  -0.442
   90   2HB   PHE  14          HB3       PHE  14  10.812   4.217   0.665
   91    HD1  PHE  14           HD1      PHE  14   8.184   3.928  -1.873
   92    HD2  PHE  14           HD2      PHE  14  10.163   6.527   0.857
   93    HE1  PHE  14           HE1      PHE  14   6.376   5.573  -2.133
   94    HE2  PHE  14           HE2      PHE  14   8.359   8.180   0.597
   95    HZ   PHE  14           HZ       PHE  14   6.461   7.705  -0.900
   96    H    ARG  15           HN       ARG  15  11.995   1.936  -2.115
   97    HA   ARG  15           HA       ARG  15  13.975   1.234  -0.187
   98   1HB   ARG  15          HB2       ARG  15  13.931  -0.368  -2.656
   99   2HB   ARG  15          HB3       ARG  15  13.781  -0.876  -0.981
  100   1HG   ARG  15          HG2       ARG  15  11.402   0.435  -1.481
  101   2HG   ARG  15          HG3       ARG  15  11.733  -0.432  -2.982
  102   1HD   ARG  15          HD2       ARG  15  11.047  -2.316  -2.030
  103   2HD   ARG  15          HD3       ARG  15  12.323  -2.167  -0.819
  104    HE   ARG  15           HE       ARG  15   9.579  -1.124  -0.555
  105   1HH1  ARG  15          HH12      ARG  15  12.621  -2.104   0.829
  106   2HH1  ARG  15          HH11      ARG  15  12.080  -1.996   2.465
  107   1HH2  ARG  15          HH22      ARG  15   8.812  -0.984   1.603
  108   2HH2  ARG  15          HH21      ARG  15   9.891  -1.371   2.905
  109    H    SER  16           HN       SER  16  14.007   2.546  -3.398
  110    HA   SER  16           HA       SER  16  16.776   2.119  -3.922
  111   1HB   SER  16          HB2       SER  16  15.534   4.361  -5.327
  112   2HB   SER  16          HB3       SER  16  16.220   2.867  -5.973
  113    HG   SER  16           HG       SER  16  14.012   2.883  -6.388
  114    H    ARG  17           HN       ARG  17  15.008   4.395  -2.069
  115    HA   ARG  17           HA       ARG  17  17.139   6.370  -2.040
  116   1HB   ARG  17          HB2       ARG  17  14.570   6.785  -1.783
  117   2HB   ARG  17          HB3       ARG  17  14.839   6.336  -0.105
  118   1HG   ARG  17          HG2       ARG  17  16.763   8.141  -0.310
  119   2HG   ARG  17          HG3       ARG  17  15.716   8.746  -1.595
  120   1HD   ARG  17          HD2       ARG  17  13.974   8.215   0.490
  121   2HD   ARG  17          HD3       ARG  17  15.398   8.880   1.289
  122    HE   ARG  17           HE       ARG  17  14.140  10.293  -0.969
  123   1HH1  ARG  17          HH12      ARG  17  15.119  10.199   2.406
  124   2HH1  ARG  17          HH11      ARG  17  14.889  11.911   2.634
  125   1HH2  ARG  17          HH22      ARG  17  13.840  12.549  -0.635
  126   2HH2  ARG  17          HH21      ARG  17  14.181  13.225   0.933
  127    H    TYR  18           HN       TYR  18  15.929   3.724  -0.147
  128    HA   TYR  18           HA       TYR  18  17.920   4.208   1.954
  129   1HB   TYR  18          HB2       TYR  18  15.525   2.357   1.826
  130   2HB   TYR  18          HB3       TYR  18  16.692   2.344   3.141
  131    HD1  TYR  18           HD1      TYR  18  14.829   5.006   1.294
  132    HD2  TYR  18           HD2      TYR  18  15.858   3.304   5.052
  133    HE1  TYR  18           HE1      TYR  18  13.534   6.755   2.422
  134    HE2  TYR  18           HE2      TYR  18  14.560   5.058   6.202
  135    HH   TYR  18           HH       TYR  18  13.601   7.164   5.882
  136    H    ARG  19           HN       ARG  19  17.787   1.321   2.640
  137    HA   ARG  19           HA       ARG  19  19.390   0.231   0.422
  138   1HB   ARG  19          HB2       ARG  19  19.669  -0.042   3.400
  139   2HB   ARG  19          HB3       ARG  19  20.303  -1.288   2.332
  140   1HG   ARG  19          HG2       ARG  19  21.120   1.310   1.423
  141   2HG   ARG  19          HG3       ARG  19  21.549   1.085   3.120
  142   1HD   ARG  19          HD2       ARG  19  22.093  -1.245   1.450
  143   2HD   ARG  19          HD3       ARG  19  22.994   0.192   0.970
  144    HE   ARG  19           HE       ARG  19  23.039  -0.903   3.714
  145   1HH1  ARG  19          HH12      ARG  19  24.685   0.429   0.911
  146   2HH1  ARG  19          HH11      ARG  19  26.215   0.572   1.728
  147   1HH2  ARG  19          HH22      ARG  19  25.047  -0.732   4.770
  148   2HH2  ARG  19          HH21      ARG  19  26.423  -0.092   3.926
  149    H    GLY  20           HN       GLY  20  16.420   0.175   1.275
  150   1HA   GLY  20          HA1       GLY  20  14.735  -1.335   0.806
  151   2HA   GLY  20          HA2       GLY  20  15.961  -2.552   0.486
  152    H    LEU  21           HN       LEU  21  17.265  -2.953   2.678
  153    HA   LEU  21           HA       LEU  21  15.333  -4.138   4.460
  154   1HB   LEU  21          HB2       LEU  21  17.424  -4.932   5.664
  155   2HB   LEU  21          HB3       LEU  21  17.190  -5.511   4.027
  156    HG   LEU  21           HG       LEU  21  18.737  -3.401   3.473
  157   1HD1  LEU  21          HD11      LEU  21  18.916  -2.666   5.790
  158   2HD1  LEU  21          HD12      LEU  21  19.599  -4.230   6.239
  159   3HD1  LEU  21          HD13      LEU  21  20.483  -3.160   5.152
  160   1HD2  LEU  21          HD21      LEU  21  20.609  -5.310   4.204
  161   2HD2  LEU  21          HD22      LEU  21  19.140  -6.232   3.891
  162   3HD2  LEU  21          HD23      LEU  21  19.795  -5.169   2.646
  163    H    GLU  22           HN       GLU  22  16.776  -1.158   4.233
  164    HA   GLU  22           HA       GLU  22  16.873  -0.739   7.145
  165   1HB   GLU  22          HB2       GLU  22  18.829  -0.229   5.426
  166   2HB   GLU  22          HB3       GLU  22  17.924   1.265   5.218
  167   1HG   GLU  22          HG2       GLU  22  18.050   1.644   7.644
  168   2HG   GLU  22          HG3       GLU  22  19.050   0.199   7.792
  169    H    ASP  23           HN       ASP  23  14.644  -0.583   4.978
  170    HA   ASP  23           HA       ASP  23  13.847   2.098   4.730
  171   1HB   ASP  23          HB2       ASP  23  12.740  -0.537   4.115
  172   2HB   ASP  23          HB3       ASP  23  11.509   0.655   4.525
  173    H    ASN  24           HN       ASN  24  13.695  -0.035   7.353
  174    HA   ASN  24           HA       ASN  24  12.390  -0.229   9.243
  175   1HB   ASN  24          HB2       ASN  24  13.882   2.067   9.243
  176   2HB   ASN  24          HB3       ASN  24  12.276   2.684   9.623
  177   1HD2  ASN  24          HD21      ASN  24  11.302   2.100  11.557
  178   2HD2  ASN  24          HD22      ASN  24  12.175   1.340  12.847
  179    H    ARG  25           HN       ARG  25  10.693  -0.331   7.075
  180    HA   ARG  25           HA       ARG  25   8.552   1.598   7.590
  181   1HB   ARG  25          HB2       ARG  25   9.613   0.475   5.222
  182   2HB   ARG  25          HB3       ARG  25   7.978  -0.154   5.391
  183   1HG   ARG  25          HG2       ARG  25   7.195   1.736   4.571
  184   2HG   ARG  25          HG3       ARG  25   7.845   2.595   5.969
  185   1HD   ARG  25          HD2       ARG  25  10.005   2.083   4.231
  186   2HD   ARG  25          HD3       ARG  25   8.682   2.698   3.240
  187    HE   ARG  25           HE       ARG  25   8.713   4.428   5.297
  188   1HH1  ARG  25          HH12      ARG  25  11.229   3.238   3.156
  189   2HH1  ARG  25          HH11      ARG  25  12.183   4.681   3.303
  190   1HH2  ARG  25          HH22      ARG  25   9.960   6.315   5.472
  191   2HH2  ARG  25          HH21      ARG  25  11.495   6.419   4.656
  192    H    HIS  26           HN       HIS  26   6.419   0.947   7.888
  193    HA   HIS  26           HA       HIS  26   6.064  -1.741   8.949
  194   1HB   HIS  26          HB2       HIS  26   4.866   0.825   9.460
  195   2HB   HIS  26          HB3       HIS  26   3.612  -0.316   8.985
  196    HD2  HIS  26           HD2      HIS  26   4.605   0.892  12.140
  197    HE1  HIS  26           HE1      HIS  26   4.634  -3.292  12.773
  198    HE2  HIS  26           HE2      HIS  26   4.487  -1.022  13.891
  199    H    PHE  27           HN       PHE  27   4.735  -3.255   8.009
  200    HA   PHE  27           HA       PHE  27   3.981  -2.640   5.233
  201   1HB   PHE  27          HB2       PHE  27   5.002  -5.166   6.511
  202   2HB   PHE  27          HB3       PHE  27   4.157  -5.195   4.967
  203    HD1  PHE  27           HD1      PHE  27   7.178  -4.111   6.726
  204    HD2  PHE  27           HD2      PHE  27   5.193  -4.365   2.970
  205    HE1  PHE  27           HE1      PHE  27   9.293  -3.602   5.579
  206    HE2  PHE  27           HE2      PHE  27   7.305  -3.860   1.813
  207    HZ   PHE  27           HZ       PHE  27   9.357  -3.480   3.120
  208    H    TYR  28           HN       TYR  28   1.938  -2.817   4.646
  209    HA   TYR  28           HA       TYR  28   0.015  -3.938   6.558
  210   1HB   TYR  28          HB2       TYR  28  -0.390  -2.301   4.044
  211   2HB   TYR  28          HB3       TYR  28  -1.689  -2.882   5.079
  212    HD1  TYR  28           HD1      TYR  28  -0.148  -0.035   4.262
  213    HD2  TYR  28           HD2      TYR  28  -0.881  -2.350   7.754
  214    HE1  TYR  28           HE1      TYR  28   0.060   1.988   5.638
  215    HE2  TYR  28           HE2      TYR  28  -0.676  -0.330   9.143
  216    HH   TYR  28           HH       TYR  28   0.687   2.494   8.061
  217    H    ARG  29           HN       ARG  29  -1.633  -5.410   5.849
  218    HA   ARG  29           HA       ARG  29  -0.661  -7.194   3.714
  219   1HB   ARG  29          HB2       ARG  29  -2.797  -8.302   5.334
  220   2HB   ARG  29          HB3       ARG  29  -1.194  -8.940   5.010
  221   1HG   ARG  29          HG2       ARG  29  -1.493  -6.730   6.983
  222   2HG   ARG  29          HG3       ARG  29  -1.952  -8.370   7.448
  223   1HD   ARG  29          HD2       ARG  29   0.209  -9.169   7.245
  224   2HD   ARG  29          HD3       ARG  29   0.691  -7.876   6.145
  225    HE   ARG  29           HE       ARG  29   0.430  -6.400   8.220
  226   1HH1  ARG  29          HH12      ARG  29   1.457  -9.745   8.332
  227   2HH1  ARG  29          HH11      ARG  29   2.387  -9.546   9.787
  228   1HH2  ARG  29          HH22      ARG  29   1.642  -6.128  10.110
  229   2HH2  ARG  29          HH21      ARG  29   2.502  -7.478  10.800
  230    H    ILE  30           HN       ILE  30  -2.160  -4.803   3.215
  231    HA   ILE  30           HA       ILE  30  -3.803  -4.016   1.893
  232    HB   ILE  30           HB       ILE  30  -4.241  -6.914   1.204
  233   1HG1  ILE  30          HG12      ILE  30  -3.001  -5.308  -0.838
  234   2HG1  ILE  30          HG13      ILE  30  -2.081  -5.190   0.658
  235   1HG2  ILE  30          HG21      ILE  30  -5.922  -6.285  -0.108
  236   2HG2  ILE  30          HG22      ILE  30  -5.807  -4.664   0.578
  237   3HG2  ILE  30          HG23      ILE  30  -4.906  -5.070  -0.882
  238   1HD1  ILE  30          HD11      ILE  30  -1.622  -7.072  -1.117
  239   2HD1  ILE  30          HD12      ILE  30  -1.471  -7.374   0.614
  240   3HD1  ILE  30          HD13      ILE  30  -2.924  -7.879  -0.246
  241    HA   PRO  31           HA       PRO  31  -7.050  -3.948   5.062
  242   1HB   PRO  31          HB2       PRO  31  -8.205  -2.152   3.043
  243   2HB   PRO  31          HB3       PRO  31  -7.814  -1.834   4.737
  244   1HG   PRO  31          HG2       PRO  31  -6.370  -1.050   2.445
  245   2HG   PRO  31          HG3       PRO  31  -5.881  -0.855   4.131
  246   1HD   PRO  31          HD2       PRO  31  -4.715  -2.530   2.180
  247   2HD   PRO  31          HD3       PRO  31  -4.345  -2.497   3.913
  248    H    LYS  32           HN       LYS  32  -8.611  -5.466   5.111
  249    HA   LYS  32           HA       LYS  32  -9.894  -6.224   2.592
  250   1HB   LYS  32          HB2       LYS  32 -10.738  -8.202   3.910
  251   2HB   LYS  32          HB3       LYS  32  -8.995  -8.137   3.692
  252   1HG   LYS  32          HG2       LYS  32  -8.595  -7.761   5.901
  253   2HG   LYS  32          HG3       LYS  32 -10.134  -6.936   6.155
  254   1HD   LYS  32          HD2       LYS  32 -10.344  -8.982   7.291
  255   2HD   LYS  32          HD3       LYS  32 -11.228  -9.203   5.779
  256   1HE   LYS  32          HE2       LYS  32  -8.834 -10.061   4.981
  257   2HE   LYS  32          HE3       LYS  32  -8.685 -10.427   6.698
  258   1HZ   LYS  32          HZ1       LYS  32  -9.647 -12.204   5.140
  259   2HZ   LYS  32          HZ2       LYS  32 -11.070 -11.285   5.177
  260   3HZ   LYS  32          HZ3       LYS  32 -10.435 -11.924   6.617
  261    H    ARG  33           HN       ARG  33 -10.409  -3.957   4.638
  262    HA   ARG  33           HA       ARG  33 -13.287  -4.041   4.345
  263   1HB   ARG  33          HB2       ARG  33 -13.041  -5.141   6.490
  264   2HB   ARG  33          HB3       ARG  33 -11.964  -3.874   7.059
  265   1HG   ARG  33          HG2       ARG  33 -14.158  -2.426   6.415
  266   2HG   ARG  33          HG3       ARG  33 -14.891  -3.948   6.926
  267   1HD   ARG  33          HD2       ARG  33 -14.564  -2.244   8.743
  268   2HD   ARG  33          HD3       ARG  33 -13.862  -3.831   9.057
  269    HE   ARG  33           HE       ARG  33 -11.689  -2.890   8.536
  270   1HH1  ARG  33          HH12      ARG  33 -14.298  -0.596   9.019
  271   2HH1  ARG  33          HH11      ARG  33 -13.239   0.711   9.456
  272   1HH2  ARG  33          HH22      ARG  33 -10.291  -1.173   9.099
  273   2HH2  ARG  33          HH21      ARG  33 -10.957   0.392   9.487
  274    HA   PRO  34           HA       PRO  34 -14.713  -2.925   3.739
  275   1HB   PRO  34          HB2       PRO  34 -15.272  -1.358   1.597
  276   2HB   PRO  34          HB3       PRO  34 -15.817  -0.972   3.233
  277   1HG   PRO  34          HG2       PRO  34 -13.509   0.129   1.688
  278   2HG   PRO  34          HG3       PRO  34 -14.648   0.970   2.757
  279   1HD   PRO  34          HD2       PRO  34 -12.129   0.239   3.516
  280   2HD   PRO  34          HD3       PRO  34 -13.485   0.397   4.650
  281    H    LEU  35           HN       LEU  35 -14.955  -4.367   2.008
  282    HA   LEU  35           HA       LEU  35 -12.514  -5.291   0.902
  283   1HB   LEU  35          HB2       LEU  35 -15.036  -6.345   1.311
  284   2HB   LEU  35          HB3       LEU  35 -14.909  -6.272  -0.436
  285    HG   LEU  35           HG       LEU  35 -12.540  -7.406   0.859
  286   1HD1  LEU  35          HD11      LEU  35 -13.552  -9.520   1.442
  287   2HD1  LEU  35          HD12      LEU  35 -14.297  -8.226   2.380
  288   3HD1  LEU  35          HD13      LEU  35 -15.145  -8.911   0.996
  289   1HD2  LEU  35          HD21      LEU  35 -12.769  -7.499  -1.511
  290   2HD2  LEU  35          HD22      LEU  35 -12.969  -9.140  -0.895
  291   3HD2  LEU  35          HD23      LEU  35 -14.381  -8.204  -1.386
  292    H    ILE  36           HN       ILE  36 -15.034  -3.219  -0.340
  293    HA   ILE  36           HA       ILE  36 -14.279  -3.371  -3.069
  294    HB   ILE  36           HB       ILE  36 -15.756  -1.218  -1.554
  295   1HG1  ILE  36          HG12      ILE  36 -16.964  -3.303  -1.624
  296   2HG1  ILE  36          HG13      ILE  36 -17.716  -2.187  -2.760
  297   1HG2  ILE  36          HG21      ILE  36 -15.064  -1.437  -4.460
  298   2HG2  ILE  36          HG22      ILE  36 -16.541  -0.621  -3.944
  299   3HG2  ILE  36          HG23      ILE  36 -14.971  -0.034  -3.393
  300   1HD1  ILE  36          HD11      ILE  36 -15.734  -3.685  -4.146
  301   2HD1  ILE  36          HD12      ILE  36 -16.758  -4.796  -3.235
  302   3HD1  ILE  36          HD13      ILE  36 -17.482  -3.668  -4.381
  303    H    LEU  37           HN       LEU  37 -13.195  -1.408  -0.357
  304    HA   LEU  37           HA       LEU  37 -11.518   0.330  -1.835
  305   1HB   LEU  37          HB2       LEU  37 -11.573   1.199   0.236
  306   2HB   LEU  37          HB3       LEU  37 -11.953  -0.346   0.973
  307    HG   LEU  37           HG       LEU  37  -9.214  -0.360   0.132
  308   1HD1  LEU  37          HD11      LEU  37  -8.387   1.378   1.698
  309   2HD1  LEU  37          HD12      LEU  37  -9.206   2.025   0.275
  310   3HD1  LEU  37          HD13      LEU  37 -10.039   1.985   1.830
  311   1HD2  LEU  37          HD21      LEU  37 -10.010  -1.830   1.804
  312   2HD2  LEU  37          HD22      LEU  37  -8.898  -0.708   2.596
  313   3HD2  LEU  37          HD23      LEU  37 -10.641  -0.496   2.774
  314    H    ARG  38           HN       ARG  38 -11.082  -2.854  -0.405
  315    HA   ARG  38           HA       ARG  38  -8.348  -3.216  -0.891
  316   1HB   ARG  38          HB2       ARG  38  -9.780  -4.733   0.464
  317   2HB   ARG  38          HB3       ARG  38 -10.544  -5.293  -1.008
  318   1HG   ARG  38          HG2       ARG  38  -8.490  -6.250  -1.792
  319   2HG   ARG  38          HG3       ARG  38  -7.599  -5.551  -0.436
  320   1HD   ARG  38          HD2       ARG  38  -7.910  -7.601   0.451
  321   2HD   ARG  38          HD3       ARG  38  -9.469  -6.922   0.908
  322    HE   ARG  38           HE       ARG  38  -9.965  -7.974  -1.531
  323   1HH1  ARG  38          HH12      ARG  38  -8.440  -9.286   1.345
  324   2HH1  ARG  38          HH11      ARG  38  -9.020 -10.905   1.055
  325   1HH2  ARG  38          HH22      ARG  38 -10.718 -10.076  -1.917
  326   2HH2  ARG  38          HH21      ARG  38 -10.330 -11.350  -0.792
  327    H    GLN  39           HN       GLN  39 -11.186  -3.886  -2.875
  328    HA   GLN  39           HA       GLN  39  -9.895  -4.947  -5.125
  329   1HB   GLN  39          HB2       GLN  39 -12.509  -4.382  -4.432
  330   2HB   GLN  39          HB3       GLN  39 -12.214  -3.287  -5.776
  331   1HG   GLN  39          HG2       GLN  39 -11.199  -5.519  -6.821
  332   2HG   GLN  39          HG3       GLN  39 -12.382  -6.232  -5.724
  333   1HE2  GLN  39          HE21      GLN  39 -14.507  -6.083  -6.184
  334   2HE2  GLN  39          HE22      GLN  39 -15.147  -5.370  -7.629
  335    H    ARG  40           HN       ARG  40 -10.328  -1.640  -4.082
  336    HA   ARG  40           HA       ARG  40  -9.278  -0.556  -6.560
  337   1HB   ARG  40          HB2       ARG  40  -9.848   0.862  -3.950
  338   2HB   ARG  40          HB3       ARG  40  -9.552   1.621  -5.510
  339   1HG   ARG  40          HG2       ARG  40 -11.635   0.058  -6.152
  340   2HG   ARG  40          HG3       ARG  40 -11.975   0.336  -4.444
  341   1HD   ARG  40          HD2       ARG  40 -11.374   2.842  -5.209
  342   2HD   ARG  40          HD3       ARG  40 -12.022   2.211  -6.723
  343    HE   ARG  40           HE       ARG  40 -13.484   2.344  -4.161
  344   1HH1  ARG  40          HH12      ARG  40 -13.448   2.145  -7.669
  345   2HH1  ARG  40          HH11      ARG  40 -15.172   2.273  -7.814
  346   1HH2  ARG  40          HH22      ARG  40 -15.746   2.554  -4.367
  347   2HH2  ARG  40          HH21      ARG  40 -16.479   2.503  -5.942
  348    H    TRP  41           HN       TRP  41  -8.086  -1.711  -3.588
  349    HA   TRP  41           HA       TRP  41  -5.711  -0.204  -3.332
  350   1HB   TRP  41          HB2       TRP  41  -6.962  -2.442  -2.034
  351   2HB   TRP  41          HB3       TRP  41  -5.266  -2.815  -2.305
  352    HD1  TRP  41           HD1      TRP  41  -7.267   0.201  -0.914
  353    HE1  TRP  41           HE1      TRP  41  -5.963   1.161   1.083
  354    HE3  TRP  41           HE3      TRP  41  -3.263  -2.970  -0.972
  355    HZ2  TRP  41           HZ2      TRP  41  -3.559   0.635   2.454
  356    HZ3  TRP  41           HZ3      TRP  41  -1.502  -2.675   0.721
  357    HH2  TRP  41           HH2      TRP  41  -1.652  -0.906   2.402
  358    H    LEU  42           HN       LEU  42  -6.601  -2.937  -5.292
  359    HA   LEU  42           HA       LEU  42  -3.953  -3.716  -5.998
  360   1HB   LEU  42          HB2       LEU  42  -6.004  -4.297  -7.995
  361   2HB   LEU  42          HB3       LEU  42  -4.915  -5.380  -7.153
  362    HG   LEU  42           HG       LEU  42  -7.336  -4.271  -5.765
  363   1HD1  LEU  42          HD11      LEU  42  -8.626  -5.285  -7.280
  364   2HD1  LEU  42          HD12      LEU  42  -7.267  -6.156  -7.990
  365   3HD1  LEU  42          HD13      LEU  42  -8.064  -6.787  -6.549
  366   1HD2  LEU  42          HD21      LEU  42  -6.671  -6.975  -5.161
  367   2HD2  LEU  42          HD22      LEU  42  -5.211  -5.993  -5.064
  368   3HD2  LEU  42          HD23      LEU  42  -6.627  -5.562  -4.107
  369    H    THR  43           HN       THR  43  -5.947  -1.123  -6.937
  370    HA   THR  43           HA       THR  43  -5.318  -0.812  -9.637
  371    HB   THR  43           HB       THR  43  -6.808   0.606  -7.726
  372    HG1  THR  43           HG1      THR  43  -6.420   1.387 -10.439
  373   1HG2  THR  43          HG21      THR  43  -4.421   2.097  -8.288
  374   2HG2  THR  43          HG22      THR  43  -5.796   2.549  -7.280
  375   3HG2  THR  43          HG23      THR  43  -5.806   2.921  -9.006
  376    H    ALA  44           HN       ALA  44  -3.539   0.192  -6.760
  377    HA   ALA  44           HA       ALA  44  -1.741   1.889  -8.221
  378   1HB   ALA  44          HB1       ALA  44  -2.487   1.721  -5.616
  379   2HB   ALA  44          HB2       ALA  44  -0.891   0.968  -5.571
  380   3HB   ALA  44          HB3       ALA  44  -1.078   2.606  -6.204
  381    H    ILE  45           HN       ILE  45  -1.765  -1.405  -7.132
  382    HA   ILE  45           HA       ILE  45   1.065  -1.775  -7.658
  383    HB   ILE  45           HB       ILE  45  -0.143  -4.274  -7.163
  384   1HG1  ILE  45          HG12      ILE  45  -1.274  -2.033  -5.487
  385   2HG1  ILE  45          HG13      ILE  45  -2.153  -3.290  -6.336
  386   1HG2  ILE  45          HG21      ILE  45   1.547  -4.396  -5.697
  387   2HG2  ILE  45          HG22      ILE  45   2.020  -2.820  -6.333
  388   3HG2  ILE  45          HG23      ILE  45   1.049  -2.924  -4.864
  389   1HD1  ILE  45          HD11      ILE  45  -2.190  -3.670  -3.951
  390   2HD1  ILE  45          HD12      ILE  45  -1.284  -4.949  -4.759
  391   3HD1  ILE  45          HD13      ILE  45  -0.427  -3.668  -3.902
  392    H    GLY  46           HN       GLY  46  -1.852  -1.997  -9.338
  393   1HA   GLY  46          HA1       GLY  46  -2.336  -2.672 -11.478
  394   2HA   GLY  46          HA2       GLY  46  -0.608  -2.868 -11.729
  395    H    ARG  47           HN       ARG  47  -2.603  -4.502  -9.331
  396    HA   ARG  47           HA       ARG  47  -2.038  -7.042 -10.717
  397   1HB   ARG  47          HB2       ARG  47  -1.137  -6.236  -8.190
  398   2HB   ARG  47          HB3       ARG  47  -2.454  -7.356  -7.871
  399   1HG   ARG  47          HG2       ARG  47  -1.267  -9.124  -8.536
  400   2HG   ARG  47          HG3       ARG  47  -0.601  -8.272  -9.930
  401   1HD   ARG  47          HD2       ARG  47   0.331  -7.640  -7.160
  402   2HD   ARG  47          HD3       ARG  47   0.994  -9.018  -8.039
  403    HE   ARG  47           HE       ARG  47   1.040  -6.453  -9.411
  404   1HH1  ARG  47          HH12      ARG  47   2.762  -8.851  -7.557
  405   2HH1  ARG  47          HH11      ARG  47   4.327  -8.263  -7.995
  406   1HH2  ARG  47          HH22      ARG  47   3.115  -5.660 -10.008
  407   2HH2  ARG  47          HH21      ARG  47   4.535  -6.442  -9.374
  408    H    THR  48           HN       THR  48  -3.515  -8.817  -9.568
  409    HA   THR  48           HA       THR  48  -6.242  -7.713  -9.460
  410    HB   THR  48           HB       THR  48  -6.045 -10.603  -9.920
  411    HG1  THR  48           HG1      THR  48  -4.197  -9.577 -11.142
  412   1HG2  THR  48          HG21      THR  48  -7.394  -8.414 -11.501
  413   2HG2  THR  48          HG22      THR  48  -8.105  -9.207 -10.096
  414   3HG2  THR  48          HG23      THR  48  -7.756 -10.141 -11.550
  415    H    GLU  49           HN       GLU  49  -7.618  -9.746  -8.318
  416    HA   GLU  49           HA       GLU  49  -6.957  -9.237  -5.590
  417   1HB   GLU  49          HB2       GLU  49  -9.237 -10.126  -7.083
  418   2HB   GLU  49          HB3       GLU  49  -8.973 -11.212  -5.726
  419   1HG   GLU  49          HG2       GLU  49  -8.666  -8.750  -4.575
  420   2HG   GLU  49          HG3       GLU  49  -9.929  -8.463  -5.771
  421    H    GLU  50           HN       GLU  50  -6.908 -12.123  -7.642
  422    HA   GLU  50           HA       GLU  50  -6.149 -13.824  -5.443
  423   1HB   GLU  50          HB2       GLU  50  -5.670 -14.831  -8.164
  424   2HB   GLU  50          HB3       GLU  50  -6.552 -15.561  -6.831
  425   1HG   GLU  50          HG2       GLU  50  -8.249 -15.217  -8.305
  426   2HG   GLU  50          HG3       GLU  50  -8.315 -13.702  -7.403
  427    H    THR  51           HN       THR  51  -4.484 -11.578  -7.171
  428    HA   THR  51           HA       THR  51  -1.951 -13.058  -6.928
  429    HB   THR  51           HB       THR  51  -1.486 -10.737  -8.426
  430    HG1  THR  51           HG1      THR  51  -3.361 -11.795 -10.022
  431   1HG2  THR  51          HG21      THR  51  -0.866 -13.355  -8.585
  432   2HG2  THR  51          HG22      THR  51  -0.609 -12.214  -9.906
  433   3HG2  THR  51          HG23      THR  51  -2.044 -13.239  -9.893
  434    H    VAL  52           HN       VAL  52  -3.725 -11.043  -5.172
  435    HA   VAL  52           HA       VAL  52  -1.464  -9.329  -4.410
  436    HB   VAL  52           HB       VAL  52  -3.679  -8.308  -5.328
  437   1HG1  VAL  52          HG11      VAL  52  -5.534  -8.404  -4.102
  438   2HG1  VAL  52          HG12      VAL  52  -4.734  -9.659  -3.152
  439   3HG1  VAL  52          HG13      VAL  52  -4.669  -7.975  -2.626
  440   1HG2  VAL  52          HG21      VAL  52  -2.879  -6.987  -2.801
  441   2HG2  VAL  52          HG22      VAL  52  -1.622  -7.279  -4.004
  442   3HG2  VAL  52          HG23      VAL  52  -3.044  -6.326  -4.428
  443    H    VAL  53           HN       VAL  53  -3.661 -11.696  -3.303
  444    HA   VAL  53           HA       VAL  53  -3.478 -10.900  -0.549
  445    HB   VAL  53           HB       VAL  53  -4.643 -13.466  -1.642
  446   1HG1  VAL  53          HG11      VAL  53  -4.106 -12.932   0.932
  447   2HG1  VAL  53          HG12      VAL  53  -5.696 -12.182   0.801
  448   3HG1  VAL  53          HG13      VAL  53  -5.493 -13.891   0.415
  449   1HG2  VAL  53          HG21      VAL  53  -5.662 -11.455  -2.669
  450   2HG2  VAL  53          HG22      VAL  53  -6.791 -12.367  -1.667
  451   3HG2  VAL  53          HG23      VAL  53  -6.073 -10.877  -1.055
  452    H    SER  54           HN       SER  54  -2.410 -11.921   1.096
  453    HA   SER  54           HA       SER  54  -1.065 -13.333   2.243
  454   1HB   SER  54          HB2       SER  54  -0.720 -15.035  -0.221
  455   2HB   SER  54          HB3       SER  54  -0.547 -15.511   1.469
  456    HG   SER  54           HG       SER  54  -2.798 -15.337  -0.101
  457    H    GLN  55           HN       GLN  55   0.161 -13.021  -1.099
  458    HA   GLN  55           HA       GLN  55   2.872 -13.103  -0.073
  459   1HB   GLN  55          HB2       GLN  55   2.220 -14.362  -2.101
  460   2HB   GLN  55          HB3       GLN  55   1.905 -12.842  -2.924
  461   1HG   GLN  55          HG2       GLN  55   4.077 -13.851  -3.509
  462   2HG   GLN  55          HG3       GLN  55   4.217 -12.235  -2.821
  463   1HE2  GLN  55          HE21      GLN  55   5.425 -11.945  -1.060
  464   2HE2  GLN  55          HE22      GLN  55   6.234 -13.208  -0.192
  465    H    LEU  56           HN       LEU  56   0.691 -10.683  -1.397
  466    HA   LEU  56           HA       LEU  56   2.893  -8.830  -1.781
  467   1HB   LEU  56          HB2       LEU  56   0.237  -9.104  -2.811
  468   2HB   LEU  56          HB3       LEU  56   0.456  -7.490  -2.161
  469    HG   LEU  56           HG       LEU  56   2.669  -7.539  -3.566
  470   1HD1  LEU  56          HD11      LEU  56   2.222  -9.988  -4.148
  471   2HD1  LEU  56          HD12      LEU  56   0.996  -9.368  -5.254
  472   3HD1  LEU  56          HD13      LEU  56   2.684  -8.905  -5.461
  473   1HD2  LEU  56          HD21      LEU  56   1.614  -6.103  -4.923
  474   2HD2  LEU  56          HD22      LEU  56   0.396  -7.289  -5.394
  475   3HD2  LEU  56          HD23      LEU  56   0.220  -6.396  -3.883
  476    H    ARG  57           HN       ARG  57   3.514  -7.346  -0.386
  477    HA   ARG  57           HA       ARG  57   1.619  -6.458   1.678
  478   1HB   ARG  57          HB2       ARG  57   4.523  -6.249   2.266
  479   2HB   ARG  57          HB3       ARG  57   3.181  -6.571   3.350
  480   1HG   ARG  57          HG2       ARG  57   4.100  -8.640   1.396
  481   2HG   ARG  57          HG3       ARG  57   4.920  -8.413   2.941
  482   1HD   ARG  57          HD2       ARG  57   2.387  -8.510   3.802
  483   2HD   ARG  57          HD3       ARG  57   2.229  -9.502   2.356
  484    HE   ARG  57           HE       ARG  57   3.335 -10.306   4.804
  485   1HH1  ARG  57          HH12      ARG  57   4.075 -10.578   1.375
  486   2HH1  ARG  57          HH11      ARG  57   4.916 -12.083   1.566
  487   1HH2  ARG  57          HH22      ARG  57   4.429 -12.296   5.010
  488   2HH2  ARG  57          HH21      ARG  57   5.108 -13.056   3.595
  489    H    ILE  58           HN       ILE  58   1.785  -4.216   2.217
  490    HA   ILE  58           HA       ILE  58   3.241  -2.641   0.195
  491    HB   ILE  58           HB       ILE  58   0.473  -2.048   1.257
  492   1HG1  ILE  58          HG12      ILE  58   0.483  -3.940  -0.319
  493   2HG1  ILE  58          HG13      ILE  58  -0.313  -2.532  -1.016
  494   1HG2  ILE  58          HG21      ILE  58   0.909   0.054   0.675
  495   2HG2  ILE  58          HG22      ILE  58   2.433  -0.401  -0.087
  496   3HG2  ILE  58          HG23      ILE  58   0.928  -0.501  -1.000
  497   1HD1  ILE  58          HD11      ILE  58   1.100  -2.496  -2.724
  498   2HD1  ILE  58          HD12      ILE  58   2.502  -2.574  -1.656
  499   3HD1  ILE  58          HD13      ILE  58   1.695  -4.058  -2.162
  500    H    CYS  59           HN       CYS  59   4.361  -0.924   0.933
  501    HA   CYS  59           HA       CYS  59   4.898  -0.678   3.691
  502   1HB   CYS  59          HB2       CYS  59   5.541   1.413   1.623
  503   2HB   CYS  59          HB3       CYS  59   6.398   1.053   3.114
  504    H    SER  60           HN       SER  60   4.537   1.039   5.096
  505    HA   SER  60           HA       SER  60   2.024   2.375   4.893
  506   1HB   SER  60          HB2       SER  60   3.537   1.645   6.983
  507   2HB   SER  60          HB3       SER  60   4.075   3.317   6.839
  508    HG   SER  60           HG       SER  60   2.128   4.024   7.384
  509    H    ALA  61           HN       ALA  61   5.027   3.020   3.559
  510    HA   ALA  61           HA       ALA  61   4.974   5.897   3.767
  511   1HB   ALA  61          HB1       ALA  61   6.710   4.841   1.696
  512   2HB   ALA  61          HB2       ALA  61   7.110   5.772   3.141
  513   3HB   ALA  61          HB3       ALA  61   6.936   4.020   3.240
  514    H    HIS  62           HN       HIS  62   3.201   3.771   2.018
  515    HA   HIS  62           HA       HIS  62   3.194   5.283  -0.478
  516   1HB   HIS  62          HB2       HIS  62   1.817   2.716   0.354
  517   2HB   HIS  62          HB3       HIS  62   1.592   3.478  -1.217
  518    HD1  HIS  62           HD1      HIS  62   3.824   3.614  -2.758
  519    HD2  HIS  62           HD2      HIS  62   4.000   1.100   0.570
  520    HE1  HIS  62           HE1      HIS  62   5.834   2.088  -3.101
  521    H    PHE  63           HN       PHE  63   2.150   6.372   2.093
  522    HA   PHE  63           HA       PHE  63  -0.555   7.032   1.187
  523   1HB   PHE  63          HB2       PHE  63   0.081   6.263   4.043
  524   2HB   PHE  63          HB3       PHE  63  -1.495   6.718   3.404
  525    HD1  PHE  63           HD1      PHE  63  -2.613   5.219   1.744
  526    HD2  PHE  63           HD2      PHE  63   0.863   4.062   3.906
  527    HE1  PHE  63           HE1      PHE  63  -3.070   2.864   1.214
  528    HE2  PHE  63           HE2      PHE  63   0.412   1.704   3.376
  529    HZ   PHE  63           HZ       PHE  63  -1.553   1.104   2.031
  530    H    GLU  64           HN       GLU  64  -1.472   8.835   2.654
  531    HA   GLU  64           HA       GLU  64   0.391  11.008   2.504
  532   1HB   GLU  64          HB2       GLU  64  -2.498  10.667   3.005
  533   2HB   GLU  64          HB3       GLU  64  -1.756  12.070   3.761
  534   1HG   GLU  64          HG2       GLU  64  -0.808  11.992   1.117
  535   2HG   GLU  64          HG3       GLU  64  -2.543  11.684   1.047
  536    H    GLY  65           HN       GLY  65   1.892  11.287   4.003
  537   1HA   GLY  65          HA1       GLY  65   2.701  11.833   6.120
  538   2HA   GLY  65          HA2       GLY  65   1.126  11.437   6.795
  539    H    GLY  66           HN       GLY  66   1.527   8.867   5.037
  540   1HA   GLY  66          HA1       GLY  66   2.688   6.837   5.262
  541   2HA   GLY  66          HA2       GLY  66   3.453   7.463   6.712
  542    H    GLU  67           HN       GLU  67  -0.004   7.725   6.327
  543    HA   GLU  67           HA       GLU  67  -0.336   5.499   8.221
  544   1HB   GLU  67          HB2       GLU  67  -0.444   7.832   9.257
  545   2HB   GLU  67          HB3       GLU  67  -1.949   8.034   8.371
  546   1HG   GLU  67          HG2       GLU  67  -3.060   6.449   9.629
  547   2HG   GLU  67          HG3       GLU  67  -1.566   5.666  10.144
  548    H    LYS  68           HN       LYS  68  -1.609   3.993   7.422
  549    HA   LYS  68           HA       LYS  68  -3.754   4.720   5.552
  550   1HB   LYS  68          HB2       LYS  68  -2.486   2.935   4.672
  551   2HB   LYS  68          HB3       LYS  68  -2.400   2.120   6.227
  552   1HG   LYS  68          HG2       LYS  68  -5.065   2.122   5.850
  553   2HG   LYS  68          HG3       LYS  68  -4.511   2.067   4.175
  554   1HD   LYS  68          HD2       LYS  68  -4.620  -0.176   4.705
  555   2HD   LYS  68          HD3       LYS  68  -2.930   0.192   5.053
  556   1HE   LYS  68          HE2       LYS  68  -4.244  -1.180   6.778
  557   2HE   LYS  68          HE3       LYS  68  -3.267   0.165   7.358
  558   1HZ   LYS  68          HZ1       LYS  68  -5.102   1.397   7.879
  559   2HZ   LYS  68          HZ2       LYS  68  -5.696  -0.157   8.187
  560   3HZ   LYS  68          HZ3       LYS  68  -6.105   0.635   6.747
  561    H    LYS  69           HN       LYS  69  -5.687   5.088   6.421
  562    HA   LYS  69           HA       LYS  69  -6.299   3.814   8.994
  563   1HB   LYS  69          HB2       LYS  69  -6.992   6.377   7.755
  564   2HB   LYS  69          HB3       LYS  69  -8.362   5.563   8.501
  565   1HG   LYS  69          HG2       LYS  69  -6.119   5.433  10.264
  566   2HG   LYS  69          HG3       LYS  69  -6.365   7.103   9.747
  567   1HD   LYS  69          HD2       LYS  69  -8.032   7.268  11.208
  568   2HD   LYS  69          HD3       LYS  69  -8.919   6.049  10.291
  569   1HE   LYS  69          HE2       LYS  69  -7.070   4.602  11.780
  570   2HE   LYS  69          HE3       LYS  69  -7.639   5.856  12.881
  571   1HZ   LYS  69          HZ1       LYS  69  -9.788   5.076  12.800
  572   2HZ   LYS  69          HZ2       LYS  69  -8.909   3.633  12.716
  573   3HZ   LYS  69          HZ3       LYS  69  -9.581   4.296  11.305
  574    H    GLU  70           HN       GLU  70  -8.785   4.963   6.817
  575    HA   GLU  70           HA       GLU  70  -9.769   2.186   6.706
  576   1HB   GLU  70          HB2       GLU  70 -11.026   4.669   7.615
  577   2HB   GLU  70          HB3       GLU  70 -12.021   3.742   6.498
  578   1HG   GLU  70          HG2       GLU  70 -12.616   3.024   8.651
  579   2HG   GLU  70          HG3       GLU  70 -11.606   1.746   7.979
  580    H    GLY  71           HN       GLY  71  -9.463   5.233   4.962
  581   1HA   GLY  71          HA1       GLY  71 -10.394   3.818   2.535
  582   2HA   GLY  71          HA2       GLY  71 -10.910   5.459   2.895
  583    H    ASP  72           HN       ASP  72  -7.730   3.899   3.107
  584    HA   ASP  72           HA       ASP  72  -6.708   5.984   1.298
  585   1HB   ASP  72          HB2       ASP  72  -5.093   4.459   3.349
  586   2HB   ASP  72          HB3       ASP  72  -4.586   5.860   2.412
  587    H    ILE  73           HN       ILE  73  -6.328   5.205  -0.658
  588    HA   ILE  73           HA       ILE  73  -5.400   2.449  -1.009
  589    HB   ILE  73           HB       ILE  73  -6.081   4.531  -3.115
  590   1HG1  ILE  73          HG12      ILE  73  -7.841   2.188  -2.731
  591   2HG1  ILE  73          HG13      ILE  73  -7.865   3.366  -1.424
  592   1HG2  ILE  73          HG21      ILE  73  -5.749   2.974  -4.744
  593   2HG2  ILE  73          HG22      ILE  73  -4.532   2.442  -3.583
  594   3HG2  ILE  73          HG23      ILE  73  -6.087   1.614  -3.675
  595   1HD1  ILE  73          HD11      ILE  73  -8.808   3.607  -4.212
  596   2HD1  ILE  73          HD12      ILE  73  -9.502   4.233  -2.716
  597   3HD1  ILE  73          HD13      ILE  73  -8.122   5.044  -3.455
  598    HA   PRO  74           HA       PRO  74  -1.234   3.806  -0.962
  599   1HB   PRO  74          HB2       PRO  74  -0.055   1.862  -2.469
  600   2HB   PRO  74          HB3       PRO  74  -0.576   1.625  -0.797
  601   1HG   PRO  74          HG2       PRO  74  -1.946   0.846  -3.340
  602   2HG   PRO  74          HG3       PRO  74  -1.791  -0.062  -1.824
  603   1HD   PRO  74          HD2       PRO  74  -4.043   1.268  -2.504
  604   2HD   PRO  74          HD3       PRO  74  -3.521   1.084  -0.820
  605    H    VAL  75           HN       VAL  75   0.224   4.972  -2.160
  606    HA   VAL  75           HA       VAL  75  -0.224   5.074  -5.066
  607    HB   VAL  75           HB       VAL  75   0.726   7.494  -4.825
  608   1HG1  VAL  75          HG11      VAL  75  -1.446   8.365  -4.950
  609   2HG1  VAL  75          HG12      VAL  75  -1.591   6.714  -5.554
  610   3HG1  VAL  75          HG13      VAL  75  -2.111   7.103  -3.914
  611   1HG2  VAL  75          HG21      VAL  75  -0.745   7.654  -2.277
  612   2HG2  VAL  75          HG22      VAL  75   0.848   6.900  -2.205
  613   3HG2  VAL  75          HG23      VAL  75   0.677   8.540  -2.829
  614    HA   PRO  76           HA       PRO  76   4.064   4.231  -5.516
  615   1HB   PRO  76          HB2       PRO  76   4.740   5.781  -7.664
  616   2HB   PRO  76          HB3       PRO  76   3.823   4.276  -7.795
  617   1HG   PRO  76          HG2       PRO  76   2.868   7.097  -7.873
  618   2HG   PRO  76          HG3       PRO  76   2.295   5.689  -8.783
  619   1HD   PRO  76          HD2       PRO  76   1.003   6.726  -6.603
  620   2HD   PRO  76          HD3       PRO  76   0.891   5.022  -7.105
  621    H    ASP  77           HN       ASP  77   3.025   7.502  -5.240
  622    HA   ASP  77           HA       ASP  77   5.148   8.371  -3.598
  623   1HB   ASP  77          HB2       ASP  77   6.320   8.265  -5.835
  624   2HB   ASP  77          HB3       ASP  77   5.189   9.482  -6.415
  625    HA   PRO  78           HA       PRO  78   1.354  10.658  -2.856
  626   1HB   PRO  78          HB2       PRO  78   3.102  11.959  -0.837
  627   2HB   PRO  78          HB3       PRO  78   1.512  11.215  -0.641
  628   1HG   PRO  78          HG2       PRO  78   3.702   9.977   0.223
  629   2HG   PRO  78          HG3       PRO  78   2.383   9.068  -0.537
  630   1HD   PRO  78          HD2       PRO  78   5.024   9.891  -1.677
  631   2HD   PRO  78          HD3       PRO  78   4.119   8.378  -1.901
  632    H    THR  79           HN       THR  79   4.490  12.002  -3.563
  633    HA   THR  79           HA       THR  79   3.352  14.667  -3.912
  634    HB   THR  79           HB       THR  79   5.983  14.898  -4.644
  635    HG1  THR  79           HG1      THR  79   6.270  12.636  -3.988
  636   1HG2  THR  79          HG21      THR  79   4.632  16.231  -2.999
  637   2HG2  THR  79          HG22      THR  79   6.301  15.928  -2.511
  638   3HG2  THR  79          HG23      THR  79   4.988  14.984  -1.802
  639    H    VAL  80           HN       VAL  80   4.640  11.983  -5.771
  640    HA   VAL  80           HA       VAL  80   4.636  13.479  -8.252
  641    HB   VAL  80           HB       VAL  80   5.287  10.649  -7.497
  642   1HG1  VAL  80          HG11      VAL  80   4.066  10.285  -9.496
  643   2HG1  VAL  80          HG12      VAL  80   4.820  11.669 -10.288
  644   3HG1  VAL  80          HG13      VAL  80   5.776  10.232  -9.926
  645   1HG2  VAL  80          HG21      VAL  80   7.132  11.981  -9.245
  646   2HG2  VAL  80          HG22      VAL  80   6.748  13.007  -7.863
  647   3HG2  VAL  80          HG23      VAL  80   7.378  11.379  -7.606
  648    H    ASP  81           HN       ASP  81   2.671  10.990  -6.697
  649    HA   ASP  81           HA       ASP  81   0.696  11.281  -8.864
  650   1HB   ASP  81          HB2       ASP  81   1.849   8.999  -8.485
  651   2HB   ASP  81          HB3       ASP  81   0.859   8.896  -7.034
  652    H    LYS  82           HN       LYS  82  -1.512  11.236  -8.274
  653    HA   LYS  82           HA       LYS  82  -2.047  12.696  -5.871
  654   1HB   LYS  82          HB2       LYS  82  -4.032  11.470  -7.791
  655   2HB   LYS  82          HB3       LYS  82  -4.341  12.754  -6.631
  656   1HG   LYS  82          HG2       LYS  82  -2.363  13.060  -8.865
  657   2HG   LYS  82          HG3       LYS  82  -4.076  13.424  -9.061
  658   1HD   LYS  82          HD2       LYS  82  -3.924  15.339  -7.897
  659   2HD   LYS  82          HD3       LYS  82  -2.859  14.624  -6.684
  660   1HE   LYS  82          HE2       LYS  82  -1.220  15.831  -7.587
  661   2HE   LYS  82          HE3       LYS  82  -1.290  14.720  -8.953
  662   1HZ   LYS  82          HZ1       LYS  82  -1.496  16.805  -9.911
  663   2HZ   LYS  82          HZ2       LYS  82  -2.507  17.397  -8.687
  664   3HZ   LYS  82          HZ3       LYS  82  -3.107  16.282  -9.814
  665    H    GLN  83           HN       GLN  83  -1.765  11.559  -4.062
  666    HA   GLN  83           HA       GLN  83  -2.175   9.043  -3.278
  667   1HB   GLN  83          HB2       GLN  83  -1.544  10.659  -1.655
  668   2HB   GLN  83          HB3       GLN  83  -3.025  11.579  -1.886
  669   1HG   GLN  83          HG2       GLN  83  -3.282  10.478   0.166
  670   2HG   GLN  83          HG3       GLN  83  -4.259   9.562  -0.983
  671   1HE2  GLN  83          HE21      GLN  83  -4.176   7.521  -0.385
  672   2HE2  GLN  83          HE22      GLN  83  -2.746   6.636  -0.000
  673    H    ILE  84           HN       ILE  84  -3.729   7.587  -3.668
  674    HA   ILE  84           HA       ILE  84  -6.333   8.501  -4.455
  675    HB   ILE  84           HB       ILE  84  -6.195   5.634  -4.028
  676   1HG1  ILE  84          HG12      ILE  84  -3.982   6.963  -5.546
  677   2HG1  ILE  84          HG13      ILE  84  -3.945   5.513  -4.549
  678   1HG2  ILE  84          HG21      ILE  84  -7.497   5.616  -5.859
  679   2HG2  ILE  84          HG22      ILE  84  -7.610   7.352  -5.565
  680   3HG2  ILE  84          HG23      ILE  84  -6.454   6.731  -6.742
  681   1HD1  ILE  84          HD11      ILE  84  -5.100   5.734  -7.310
  682   2HD1  ILE  84          HD12      ILE  84  -3.588   4.948  -6.854
  683   3HD1  ILE  84          HD13      ILE  84  -5.126   4.289  -6.296
  684    H    LYS  85           HN       LYS  85  -7.431   9.312  -2.753
  685    HA   LYS  85           HA       LYS  85  -7.877   7.476  -0.498
  686   1HB   LYS  85          HB2       LYS  85  -8.418   9.510   0.843
  687   2HB   LYS  85          HB3       LYS  85  -6.747   9.445   0.301
  688   1HG   LYS  85          HG2       LYS  85  -6.938  11.358  -0.815
  689   2HG   LYS  85          HG3       LYS  85  -8.450  10.855  -1.575
  690   1HD   LYS  85          HD2       LYS  85  -8.803  11.406   1.244
  691   2HD   LYS  85          HD3       LYS  85  -8.140  12.800   0.389
  692   1HE   LYS  85          HE2       LYS  85 -10.124  13.244  -0.501
  693   2HE   LYS  85          HE3       LYS  85 -10.217  11.621  -1.181
  694   1HZ   LYS  85          HZ1       LYS  85 -10.985  12.332   1.600
  695   2HZ   LYS  85          HZ2       LYS  85 -11.177  10.821   0.854
  696   3HZ   LYS  85          HZ3       LYS  85 -12.076  12.152   0.313
  697    H    ILE  86           HN       ILE  86  -9.986   7.281   0.300
  698    HA   ILE  86           HA       ILE  86 -12.054   8.085  -1.638
  699    HB   ILE  86           HB       ILE  86 -12.690   6.100   0.489
  700   1HG1  ILE  86          HG12      ILE  86 -11.339   5.089  -1.990
  701   2HG1  ILE  86          HG13      ILE  86 -10.354   5.588  -0.619
  702   1HG2  ILE  86          HG21      ILE  86 -14.415   6.742  -1.058
  703   2HG2  ILE  86          HG22      ILE  86 -13.378   6.366  -2.434
  704   3HG2  ILE  86          HG23      ILE  86 -13.956   5.070  -1.386
  705   1HD1  ILE  86          HD11      ILE  86 -12.280   3.319  -0.829
  706   2HD1  ILE  86          HD12      ILE  86 -10.607   3.323  -0.274
  707   3HD1  ILE  86          HD13      ILE  86 -11.875   4.006   0.743
  708    H    GLU  87           HN       GLU  87 -14.271   8.440  -0.522
  709    HA   GLU  87           HA       GLU  87 -13.825  10.239   1.741
  710   1HB   GLU  87          HB2       GLU  87 -15.363  10.515  -0.537
  711   2HB   GLU  87          HB3       GLU  87 -16.550  10.079   0.687
  712   1HG   GLU  87          HG2       GLU  87 -16.320  12.490   0.499
  713   2HG   GLU  87          HG3       GLU  87 -15.811  11.919   2.088
  714    H    LEU  88           HN       LEU  88 -13.775   9.050   3.554
  715    HA   LEU  88           HA       LEU  88 -15.444   6.792   4.020
  716   1HB   LEU  88          HB2       LEU  88 -13.417   6.791   5.204
  717   2HB   LEU  88          HB3       LEU  88 -13.623   8.448   5.738
  718    HG   LEU  88           HG       LEU  88 -15.765   7.216   6.915
  719   1HD1  LEU  88          HD11      LEU  88 -14.293   5.276   8.056
  720   2HD1  LEU  88          HD12      LEU  88 -15.399   5.005   6.708
  721   3HD1  LEU  88          HD13      LEU  88 -13.674   5.209   6.406
  722   1HD2  LEU  88          HD21      LEU  88 -14.823   8.085   8.737
  723   2HD2  LEU  88          HD22      LEU  88 -13.378   7.088   8.564
  724   3HD2  LEU  88          HD23      LEU  88 -13.511   8.608   7.679
  725    HA   PRO  89           HA       PRO  89 -19.132   9.066   5.108
  726   1HB   PRO  89          HB2       PRO  89 -19.981   6.458   6.199
  727   2HB   PRO  89          HB3       PRO  89 -20.739   7.454   4.954
  728   1HG   PRO  89          HG2       PRO  89 -19.477   5.163   4.342
  729   2HG   PRO  89          HG3       PRO  89 -19.434   6.572   3.264
  730   1HD   PRO  89          HD2       PRO  89 -17.347   5.571   5.158
  731   2HD   PRO  89          HD3       PRO  89 -17.160   6.235   3.521
  732    HA   PRO  90           HA       PRO  90 -18.204  10.184   9.305
  733   1HB   PRO  90          HB2       PRO  90 -21.143  10.731   9.320
  734   2HB   PRO  90          HB3       PRO  90 -19.804  11.762   9.837
  735   1HG   PRO  90          HG2       PRO  90 -21.016  12.203   7.517
  736   2HG   PRO  90          HG3       PRO  90 -19.257  12.369   7.666
  737   1HD   PRO  90          HD2       PRO  90 -20.857  10.189   6.411
  738   2HD   PRO  90          HD3       PRO  90 -19.280  10.851   5.936
  739    H    LYS  91           HN       LYS  91 -17.797   8.379  10.451
  740    HA   LYS  91           HA       LYS  91 -20.008   6.581  11.131
  741   1HB   LYS  91          HB2       LYS  91 -17.818   5.286  12.037
  742   2HB   LYS  91          HB3       LYS  91 -18.419   5.133  10.392
  743   1HG   LYS  91          HG2       LYS  91 -16.731   6.406   9.504
  744   2HG   LYS  91          HG3       LYS  91 -16.464   7.297  11.003
  745   1HD   LYS  91          HD2       LYS  91 -15.899   4.371  10.927
  746   2HD   LYS  91          HD3       LYS  91 -14.748   5.489  10.190
  747   1HE   LYS  91          HE2       LYS  91 -13.909   5.946  12.191
  748   2HE   LYS  91          HE3       LYS  91 -15.487   6.538  12.716
  749   1HZ   LYS  91          HZ1       LYS  91 -15.923   3.971  12.969
  750   2HZ   LYS  91          HZ2       LYS  91 -15.186   4.869  14.204
  751   3HZ   LYS  91          HZ3       LYS  91 -14.237   3.931  13.154
  Start of MODEL   12
    1   1H    GLY   1          H1        GLY   1   6.197 -13.081  11.921
    2   2H    GLY   1          H2        GLY   1   7.877 -13.271  11.833
    3   3H    GLY   1          H3        GLY   1   6.986 -14.148  12.981
    4   1HA   GLY   1          HA2       GLY   1   6.471 -15.750  11.550
    5   2HA   GLY   1          HA1       GLY   1   6.064 -14.573  10.305
    6    H    SER   2           HN       SER   2   7.273 -16.763   9.423
    7    HA   SER   2           HA       SER   2  10.115 -16.047   9.138
    8   1HB   SER   2          HB2       SER   2   9.321 -18.686   8.148
    9   2HB   SER   2          HB3       SER   2  10.629 -18.244   9.246
   10    HG   SER   2           HG       SER   2   9.199 -18.255  10.950
   11    H    MET   3           HN       MET   3   8.834 -14.425   7.637
   12    HA   MET   3           HA       MET   3   9.269 -15.422   4.942
   13   1HB   MET   3          HB2       MET   3   6.812 -15.748   5.509
   14   2HB   MET   3          HB3       MET   3   6.689 -13.994   5.586
   15   1HG   MET   3          HG2       MET   3   7.165 -13.755   3.299
   16   2HG   MET   3          HG3       MET   3   7.745 -15.414   3.165
   17   1HE   MET   3          HE1       MET   3   4.863 -16.565   1.191
   18   2HE   MET   3          HE2       MET   3   6.475 -15.856   1.115
   19   3HE   MET   3          HE3       MET   3   6.186 -17.285   2.109
   20    HA   PRO   4           HA       PRO   4  11.299 -11.419   5.162
   21   1HB   PRO   4          HB2       PRO   4  12.239 -11.589   2.569
   22   2HB   PRO   4          HB3       PRO   4  13.064 -12.243   3.987
   23   1HG   PRO   4          HG2       PRO   4  11.332 -13.631   1.989
   24   2HG   PRO   4          HG3       PRO   4  12.826 -14.193   2.764
   25   1HD   PRO   4          HD2       PRO   4  10.417 -15.063   3.561
   26   2HD   PRO   4          HD3       PRO   4  11.735 -14.788   4.719
   27    H    THR   5           HN       THR   5   9.924  -9.779   5.092
   28    HA   THR   5           HA       THR   5   7.779  -9.539   3.263
   29    HB   THR   5           HB       THR   5   8.532  -7.044   4.552
   30    HG1  THR   5           HG1      THR   5   9.524  -8.284   6.125
   31   1HG2  THR   5          HG21      THR   5   6.224  -8.289   5.675
   32   2HG2  THR   5          HG22      THR   5   6.218  -8.553   3.931
   33   3HG2  THR   5          HG23      THR   5   6.311  -6.912   4.575
   34    H    THR   6           HN       THR   6   7.591  -8.467   1.379
   35    HA   THR   6           HA       THR   6   9.580  -6.428   0.687
   36    HB   THR   6           HB       THR   6   8.972  -7.714  -1.741
   37    HG1  THR   6           HG1      THR   6   9.483  -9.510   0.388
   38   1HG2  THR   6          HG21      THR   6  11.549  -8.497  -0.978
   39   2HG2  THR   6          HG22      THR   6  11.267  -6.957  -0.166
   40   3HG2  THR   6          HG23      THR   6  11.102  -7.074  -1.919
   41    H    CYS   7           HN       CYS   7   8.809  -4.845  -0.781
   42    HA   CYS   7           HA       CYS   7   6.050  -4.271  -0.608
   43   1HB   CYS   7          HB2       CYS   7   7.896  -2.580  -0.831
   44   2HB   CYS   7          HB3       CYS   7   8.063  -3.060  -2.512
   45    H    GLY   8           HN       GLY   8   4.415  -4.576  -1.987
   46   1HA   GLY   8          HA1       GLY   8   4.854  -6.422  -4.203
   47   2HA   GLY   8          HA2       GLY   8   3.297  -5.934  -3.543
   48    H    PHE   9           HN       PHE   9   5.050  -3.187  -3.891
   49    HA   PHE   9           HA       PHE   9   3.582  -2.316  -6.189
   50   1HB   PHE   9          HB2       PHE   9   5.071  -1.098  -4.092
   51   2HB   PHE   9          HB3       PHE   9   5.777  -0.568  -5.614
   52    HD1  PHE   9           HD1      PHE   9   2.697  -0.645  -3.604
   53    HD2  PHE   9           HD2      PHE   9   4.643   0.946  -7.038
   54    HE1  PHE   9           HE1      PHE   9   0.898   1.013  -3.846
   55    HE2  PHE   9           HE2      PHE   9   2.847   2.610  -7.291
   56    HZ   PHE   9           HZ       PHE   9   0.971   2.646  -5.694
   57    HA   PRO  10           HA       PRO  10   6.441  -3.646  -9.343
   58   1HB   PRO  10          HB2       PRO  10   5.707  -1.810 -11.251
   59   2HB   PRO  10          HB3       PRO  10   4.826  -3.304 -10.922
   60   1HG   PRO  10          HG2       PRO  10   4.254  -0.523  -9.987
   61   2HG   PRO  10          HG3       PRO  10   3.127  -1.771 -10.550
   62   1HD   PRO  10          HD2       PRO  10   3.460  -1.228  -7.936
   63   2HD   PRO  10          HD3       PRO  10   3.137  -2.876  -8.516
   64    H    ASN  11           HN       ASN  11   8.347  -3.023  -8.322
   65    HA   ASN  11           HA       ASN  11  10.285  -1.898  -8.013
   66   1HB   ASN  11          HB2       ASN  11  10.210  -1.555 -10.483
   67   2HB   ASN  11          HB3       ASN  11   9.376  -0.028 -10.210
   68   1HD2  ASN  11          HD21      ASN  11  10.633   1.683 -10.240
   69   2HD2  ASN  11          HD22      ASN  11  12.313   1.728  -9.824
   70    H    CYS  12           HN       CYS  12   9.546  -1.324  -5.957
   71    HA   CYS  12           HA       CYS  12   8.179   1.122  -5.450
   72   1HB   CYS  12          HB2       CYS  12   8.012  -0.735  -3.897
   73   2HB   CYS  12          HB3       CYS  12   9.750  -0.718  -3.639
   74    H    LYS  13           HN       LYS  13   8.984   3.106  -5.111
   75    HA   LYS  13           HA       LYS  13  11.841   3.504  -5.462
   76   1HB   LYS  13          HB2       LYS  13  11.370   5.741  -5.929
   77   2HB   LYS  13          HB3       LYS  13   9.976   4.894  -6.586
   78   1HG   LYS  13          HG2       LYS  13   8.970   5.398  -4.202
   79   2HG   LYS  13          HG3       LYS  13  10.170   6.690  -4.223
   80   1HD   LYS  13          HD2       LYS  13   8.262   6.256  -6.501
   81   2HD   LYS  13          HD3       LYS  13   7.830   7.230  -5.094
   82   1HE   LYS  13          HE2       LYS  13   8.831   8.964  -6.052
   83   2HE   LYS  13          HE3       LYS  13  10.368   8.115  -5.883
   84   1HZ   LYS  13          HZ1       LYS  13   9.165   8.857  -8.226
   85   2HZ   LYS  13          HZ2       LYS  13   8.883   7.188  -8.139
   86   3HZ   LYS  13          HZ3       LYS  13  10.470   7.785  -8.064
   87    H    PHE  14           HN       PHE  14   9.798   2.949  -2.916
   88    HA   PHE  14           HA       PHE  14  11.139   4.808  -1.098
   89   1HB   PHE  14          HB2       PHE  14   8.666   3.107  -0.768
   90   2HB   PHE  14          HB3       PHE  14   9.362   4.085   0.523
   91    HD1  PHE  14           HD1      PHE  14   9.756   6.613  -0.104
   92    HD2  PHE  14           HD2      PHE  14   7.011   4.029  -2.078
   93    HE1  PHE  14           HE1      PHE  14   8.494   8.570  -0.900
   94    HE2  PHE  14           HE2      PHE  14   5.743   5.981  -2.879
   95    HZ   PHE  14           HZ       PHE  14   6.486   8.255  -2.292
   96    H    ARG  15           HN       ARG  15  10.494   1.337  -1.509
   97    HA   ARG  15           HA       ARG  15  12.053   0.596   0.768
   98   1HB   ARG  15          HB2       ARG  15  11.568  -1.593   0.232
   99   2HB   ARG  15          HB3       ARG  15  10.246  -0.767  -0.578
  100   1HG   ARG  15          HG2       ARG  15  11.754  -0.813  -2.654
  101   2HG   ARG  15          HG3       ARG  15  12.692  -2.016  -1.766
  102   1HD   ARG  15          HD2       ARG  15  10.689  -3.401  -1.525
  103   2HD   ARG  15          HD3       ARG  15   9.748  -2.195  -2.399
  104    HE   ARG  15           HE       ARG  15  12.044  -3.523  -3.684
  105   1HH1  ARG  15          HH12      ARG  15   8.598  -2.821  -3.582
  106   2HH1  ARG  15          HH11      ARG  15   8.295  -3.449  -5.173
  107   1HH2  ARG  15          HH22      ARG  15  11.635  -4.333  -5.788
  108   2HH2  ARG  15          HH21      ARG  15  10.011  -4.308  -6.422
  109    H    SER  16           HN       SER  16  12.728   1.177  -2.604
  110    HA   SER  16           HA       SER  16  15.497   0.320  -2.288
  111   1HB   SER  16          HB2       SER  16  14.586   1.479  -4.862
  112   2HB   SER  16          HB3       SER  16  15.564   0.043  -4.551
  113    HG   SER  16           HG       SER  16  12.837   0.294  -4.850
  114    H    ARG  17           HN       ARG  17  14.029   2.921  -1.314
  115    HA   ARG  17           HA       ARG  17  15.425   5.066  -2.564
  116   1HB   ARG  17          HB2       ARG  17  13.275   5.312  -1.324
  117   2HB   ARG  17          HB3       ARG  17  14.136   4.982   0.173
  118   1HG   ARG  17          HG2       ARG  17  14.391   7.178   0.344
  119   2HG   ARG  17          HG3       ARG  17  15.581   7.037  -0.951
  120   1HD   ARG  17          HD2       ARG  17  14.297   8.298  -2.246
  121   2HD   ARG  17          HD3       ARG  17  13.036   7.068  -2.165
  122    HE   ARG  17           HE       ARG  17  13.116   8.862   0.096
  123   1HH1  ARG  17          HH12      ARG  17  11.812   8.291  -3.113
  124   2HH1  ARG  17          HH11      ARG  17  10.418   9.305  -2.864
  125   1HH2  ARG  17          HH22      ARG  17  11.284  10.188   0.427
  126   2HH2  ARG  17          HH21      ARG  17  10.125  10.394  -0.858
  127    H    TYR  18           HN       TYR  18  16.218   2.802  -0.116
  128    HA   TYR  18           HA       TYR  18  18.382   4.425   0.964
  129   1HB   TYR  18          HB2       TYR  18  17.653   1.584   1.697
  130   2HB   TYR  18          HB3       TYR  18  18.638   2.707   2.626
  131    HD1  TYR  18           HD1      TYR  18  17.650   4.100   4.240
  132    HD2  TYR  18           HD2      TYR  18  15.170   2.124   1.398
  133    HE1  TYR  18           HE1      TYR  18  15.657   4.792   5.502
  134    HE2  TYR  18           HE2      TYR  18  13.174   2.822   2.648
  135    HH   TYR  18           HH       TYR  18  12.807   3.438   5.300
  136    H    ARG  19           HN       ARG  19  19.991   1.993   1.524
  137    HA   ARG  19           HA       ARG  19  21.529   1.925  -0.879
  138   1HB   ARG  19          HB2       ARG  19  22.370   1.594   1.529
  139   2HB   ARG  19          HB3       ARG  19  21.772  -0.053   1.384
  140   1HG   ARG  19          HG2       ARG  19  24.029  -0.218   0.840
  141   2HG   ARG  19          HG3       ARG  19  23.216  -0.195  -0.725
  142   1HD   ARG  19          HD2       ARG  19  23.804   2.482   0.143
  143   2HD   ARG  19          HD3       ARG  19  25.265   1.496   0.165
  144    HE   ARG  19           HE       ARG  19  23.584   1.494  -2.243
  145   1HH1  ARG  19          HH12      ARG  19  26.579   2.360  -0.641
  146   2HH1  ARG  19          HH11      ARG  19  27.401   2.757  -2.123
  147   1HH2  ARG  19          HH22      ARG  19  24.669   2.009  -4.191
  148   2HH2  ARG  19          HH21      ARG  19  26.319   2.542  -4.134
  149    H    GLY  20           HN       GLY  20  20.021  -0.780   0.886
  150   1HA   GLY  20          HA1       GLY  20  19.007  -1.771  -1.691
  151   2HA   GLY  20          HA2       GLY  20  19.850  -2.854  -0.587
  152    H    LEU  21           HN       LEU  21  18.572  -4.046   0.606
  153    HA   LEU  21           HA       LEU  21  15.788  -3.296   0.931
  154   1HB   LEU  21          HB2       LEU  21  17.385  -5.766   1.296
  155   2HB   LEU  21          HB3       LEU  21  15.974  -5.584   2.322
  156    HG   LEU  21           HG       LEU  21  15.968  -5.522  -0.697
  157   1HD1  LEU  21          HD11      LEU  21  14.384  -7.589   0.478
  158   2HD1  LEU  21          HD12      LEU  21  15.728  -7.722  -0.657
  159   3HD1  LEU  21          HD13      LEU  21  16.040  -7.697   1.079
  160   1HD2  LEU  21          HD21      LEU  21  13.406  -5.844  -0.058
  161   2HD2  LEU  21          HD22      LEU  21  13.916  -4.918   1.354
  162   3HD2  LEU  21          HD23      LEU  21  14.134  -4.250  -0.265
  163    H    GLU  22           HN       GLU  22  16.503  -1.404   2.165
  164    HA   GLU  22           HA       GLU  22  16.405  -2.077   5.025
  165   1HB   GLU  22          HB2       GLU  22  18.628  -1.022   4.156
  166   2HB   GLU  22          HB3       GLU  22  17.679   0.455   4.053
  167   1HG   GLU  22          HG2       GLU  22  19.075  -0.054   6.183
  168   2HG   GLU  22          HG3       GLU  22  17.468   0.656   6.321
  169    H    ASP  23           HN       ASP  23  14.171  -1.882   3.603
  170    HA   ASP  23           HA       ASP  23  12.956   0.537   3.132
  171   1HB   ASP  23          HB2       ASP  23  10.818  -0.607   3.638
  172   2HB   ASP  23          HB3       ASP  23  11.875  -1.588   2.624
  173    H    ASN  24           HN       ASN  24  13.534  -1.103   6.158
  174    HA   ASN  24           HA       ASN  24  12.990  -0.655   8.344
  175   1HB   ASN  24          HB2       ASN  24  14.636   1.326   7.293
  176   2HB   ASN  24          HB3       ASN  24  13.389   2.225   8.151
  177   1HD2  ASN  24          HD21      ASN  24  15.654  -0.467   8.524
  178   2HD2  ASN  24          HD22      ASN  24  15.957  -0.202  10.215
  179    H    ARG  25           HN       ARG  25  10.718  -0.724   6.708
  180    HA   ARG  25           HA       ARG  25   9.127   1.594   7.603
  181   1HB   ARG  25          HB2       ARG  25   9.661   0.721   5.021
  182   2HB   ARG  25          HB3       ARG  25   8.043   0.118   5.345
  183   1HG   ARG  25          HG2       ARG  25   7.143   2.142   5.184
  184   2HG   ARG  25          HG3       ARG  25   8.404   2.880   6.173
  185   1HD   ARG  25          HD2       ARG  25   9.208   2.028   3.467
  186   2HD   ARG  25          HD3       ARG  25   8.077   3.377   3.548
  187    HE   ARG  25           HE       ARG  25  10.849   3.395   4.261
  188   1HH1  ARG  25          HH12      ARG  25   7.757   4.884   4.934
  189   2HH1  ARG  25          HH11      ARG  25   8.440   6.393   5.446
  190   1HH2  ARG  25          HH22      ARG  25  11.767   5.376   4.952
  191   2HH2  ARG  25          HH21      ARG  25  10.724   6.674   5.470
  192    H    HIS  26           HN       HIS  26   6.836   1.216   7.884
  193    HA   HIS  26           HA       HIS  26   6.177  -1.379   8.984
  194   1HB   HIS  26          HB2       HIS  26   5.335   1.025   9.729
  195   2HB   HIS  26          HB3       HIS  26   4.140   0.738   8.470
  196    HD2  HIS  26           HD2      HIS  26   2.653   0.893  11.099
  197    HE1  HIS  26           HE1      HIS  26   3.106  -3.294  11.469
  198    HE2  HIS  26           HE2      HIS  26   1.667  -1.294  12.074
  199    H    PHE  27           HN       PHE  27   5.388  -2.955   7.792
  200    HA   PHE  27           HA       PHE  27   4.678  -2.363   5.026
  201   1HB   PHE  27          HB2       PHE  27   5.925  -4.633   6.403
  202   2HB   PHE  27          HB3       PHE  27   4.709  -5.105   5.217
  203    HD1  PHE  27           HD1      PHE  27   4.947  -3.326   3.047
  204    HD2  PHE  27           HD2      PHE  27   8.036  -4.851   5.542
  205    HE1  PHE  27           HE1      PHE  27   6.577  -2.976   1.240
  206    HE2  PHE  27           HE2      PHE  27   9.669  -4.507   3.739
  207    HZ   PHE  27           HZ       PHE  27   8.940  -3.567   1.585
  208    H    TYR  28           HN       TYR  28   2.631  -1.957   4.717
  209    HA   TYR  28           HA       TYR  28   0.613  -2.925   6.537
  210   1HB   TYR  28          HB2       TYR  28   0.655  -1.080   4.182
  211   2HB   TYR  28          HB3       TYR  28  -0.882  -1.719   4.759
  212    HD1  TYR  28           HD1      TYR  28   0.355   1.190   4.701
  213    HD2  TYR  28           HD2      TYR  28  -0.198  -1.751   7.722
  214    HE1  TYR  28           HE1      TYR  28   0.264   2.963   6.401
  215    HE2  TYR  28           HE2      TYR  28  -0.293   0.014   9.432
  216    HH   TYR  28           HH       TYR  28   0.606   3.245   8.804
  217    H    ARG  29           HN       ARG  29  -0.888  -4.444   6.200
  218    HA   ARG  29           HA       ARG  29  -0.716  -6.048   3.773
  219   1HB   ARG  29          HB2       ARG  29  -0.902  -7.266   5.860
  220   2HB   ARG  29          HB3       ARG  29  -2.346  -6.365   6.301
  221   1HG   ARG  29          HG2       ARG  29  -2.958  -8.564   5.548
  222   2HG   ARG  29          HG3       ARG  29  -3.523  -7.363   4.384
  223   1HD   ARG  29          HD2       ARG  29  -2.005  -7.999   2.783
  224   2HD   ARG  29          HD3       ARG  29  -0.854  -8.614   3.967
  225    HE   ARG  29           HE       ARG  29  -3.280 -10.130   3.891
  226   1HH1  ARG  29          HH12      ARG  29  -0.207  -9.690   2.260
  227   2HH1  ARG  29          HH11      ARG  29  -0.114 -11.343   1.730
  228   1HH2  ARG  29          HH22      ARG  29  -3.165 -12.290   3.185
  229   2HH2  ARG  29          HH21      ARG  29  -1.793 -12.825   2.258
  230    H    ILE  30           HN       ILE  30  -2.219  -6.035   2.200
  231    HA   ILE  30           HA       ILE  30  -3.835  -3.826   1.762
  232    HB   ILE  30           HB       ILE  30  -4.120  -6.596   0.579
  233   1HG1  ILE  30          HG12      ILE  30  -2.945  -5.040  -1.330
  234   2HG1  ILE  30          HG13      ILE  30  -2.241  -4.365   0.135
  235   1HG2  ILE  30          HG21      ILE  30  -5.371  -5.645  -1.182
  236   2HG2  ILE  30          HG22      ILE  30  -6.085  -5.032   0.311
  237   3HG2  ILE  30          HG23      ILE  30  -5.020  -4.002  -0.644
  238   1HD1  ILE  30          HD11      ILE  30  -2.198  -7.263   0.127
  239   2HD1  ILE  30          HD12      ILE  30  -1.342  -6.563  -1.248
  240   3HD1  ILE  30          HD13      ILE  30  -0.893  -6.108   0.395
  241    HA   PRO  31           HA       PRO  31  -7.169  -4.580   4.662
  242   1HB   PRO  31          HB2       PRO  31  -8.492  -2.569   2.921
  243   2HB   PRO  31          HB3       PRO  31  -8.251  -2.558   4.673
  244   1HG   PRO  31          HG2       PRO  31  -6.836  -0.986   3.019
  245   2HG   PRO  31          HG3       PRO  31  -6.140  -1.652   4.506
  246   1HD   PRO  31          HD2       PRO  31  -5.699  -2.449   1.680
  247   2HD   PRO  31          HD3       PRO  31  -4.591  -2.517   3.063
  248    H    LYS  32           HN       LYS  32  -8.931  -5.909   4.558
  249    HA   LYS  32           HA       LYS  32  -9.918  -6.592   1.870
  250   1HB   LYS  32          HB2       LYS  32 -10.792  -8.691   3.065
  251   2HB   LYS  32          HB3       LYS  32  -9.061  -8.573   2.783
  252   1HG   LYS  32          HG2       LYS  32  -8.935  -7.633   5.166
  253   2HG   LYS  32          HG3       LYS  32 -10.567  -8.279   5.353
  254   1HD   LYS  32          HD2       LYS  32  -8.366 -10.008   4.288
  255   2HD   LYS  32          HD3       LYS  32  -8.532  -9.746   6.025
  256   1HE   LYS  32          HE2       LYS  32 -10.804 -10.594   5.960
  257   2HE   LYS  32          HE3       LYS  32 -10.707 -10.781   4.210
  258   1HZ   LYS  32          HZ1       LYS  32  -8.916 -12.194   6.110
  259   2HZ   LYS  32          HZ2       LYS  32  -9.089 -12.483   4.446
  260   3HZ   LYS  32          HZ3       LYS  32 -10.357 -12.859   5.508
  261    H    ARG  33           HN       ARG  33 -10.668  -4.547   4.084
  262    HA   ARG  33           HA       ARG  33 -13.508  -4.719   3.612
  263   1HB   ARG  33          HB2       ARG  33 -14.089  -4.499   6.022
  264   2HB   ARG  33          HB3       ARG  33 -13.381  -6.054   5.615
  265   1HG   ARG  33          HG2       ARG  33 -11.988  -5.753   7.309
  266   2HG   ARG  33          HG3       ARG  33 -11.216  -4.484   6.356
  267   1HD   ARG  33          HD2       ARG  33 -11.866  -2.974   7.846
  268   2HD   ARG  33          HD3       ARG  33 -13.551  -3.382   7.520
  269    HE   ARG  33           HE       ARG  33 -13.485  -4.930   9.334
  270   1HH1  ARG  33          HH12      ARG  33 -10.699  -2.821   9.072
  271   2HH1  ARG  33          HH11      ARG  33 -10.153  -3.125  10.694
  272   1HH2  ARG  33          HH22      ARG  33 -12.800  -5.300  11.480
  273   2HH2  ARG  33          HH21      ARG  33 -11.340  -4.558  12.064
  274    HA   PRO  34           HA       PRO  34 -15.067  -3.642   3.303
  275   1HB   PRO  34          HB2       PRO  34 -15.819  -1.857   1.404
  276   2HB   PRO  34          HB3       PRO  34 -16.301  -1.716   3.098
  277   1HG   PRO  34          HG2       PRO  34 -14.124  -0.295   1.625
  278   2HG   PRO  34          HG3       PRO  34 -15.273   0.343   2.814
  279   1HD   PRO  34          HD2       PRO  34 -12.703  -0.303   3.430
  280   2HD   PRO  34          HD3       PRO  34 -14.035  -0.406   4.599
  281    H    LEU  35           HN       LEU  35 -15.513  -4.552   1.185
  282    HA   LEU  35           HA       LEU  35 -13.189  -5.517  -0.069
  283   1HB   LEU  35          HB2       LEU  35 -15.842  -6.217  -0.032
  284   2HB   LEU  35          HB3       LEU  35 -15.641  -5.638  -1.673
  285    HG   LEU  35           HG       LEU  35 -15.257  -8.183  -0.990
  286   1HD1  LEU  35          HD11      LEU  35 -14.985  -6.786  -3.227
  287   2HD1  LEU  35          HD12      LEU  35 -13.283  -7.155  -2.942
  288   3HD1  LEU  35          HD13      LEU  35 -14.456  -8.463  -3.090
  289   1HD2  LEU  35          HD21      LEU  35 -12.433  -7.180  -0.930
  290   2HD2  LEU  35          HD22      LEU  35 -13.362  -7.382   0.556
  291   3HD2  LEU  35          HD23      LEU  35 -13.059  -8.769  -0.491
  292    H    ILE  36           HN       ILE  36 -15.424  -2.921  -0.908
  293    HA   ILE  36           HA       ILE  36 -14.403  -2.367  -3.474
  294    HB   ILE  36           HB       ILE  36 -15.698  -0.478  -1.504
  295   1HG1  ILE  36          HG12      ILE  36 -17.149  -2.341  -2.074
  296   2HG1  ILE  36          HG13      ILE  36 -17.732  -0.880  -2.867
  297   1HG2  ILE  36          HG21      ILE  36 -14.545  -0.036  -4.131
  298   2HG2  ILE  36          HG22      ILE  36 -16.248   0.424  -4.054
  299   3HG2  ILE  36          HG23      ILE  36 -15.091   1.131  -2.923
  300   1HD1  ILE  36          HD11      ILE  36 -17.601  -3.155  -4.145
  301   2HD1  ILE  36          HD12      ILE  36 -17.195  -1.640  -4.952
  302   3HD1  ILE  36          HD13      ILE  36 -15.910  -2.696  -4.362
  303    H    LEU  37           HN       LEU  37 -13.396  -1.295  -0.265
  304    HA   LEU  37           HA       LEU  37 -11.468   0.593  -1.132
  305   1HB   LEU  37          HB2       LEU  37 -12.014   0.834   1.104
  306   2HB   LEU  37          HB3       LEU  37 -11.970  -0.890   1.408
  307    HG   LEU  37           HG       LEU  37  -9.392  -0.576   0.935
  308   1HD1  LEU  37          HD11      LEU  37  -9.115   1.795   2.291
  309   2HD1  LEU  37          HD12      LEU  37  -8.840   1.547   0.567
  310   3HD1  LEU  37          HD13      LEU  37 -10.400   2.139   1.134
  311   1HD2  LEU  37          HD21      LEU  37 -10.789   0.186   3.491
  312   2HD2  LEU  37          HD22      LEU  37 -10.286  -1.431   2.998
  313   3HD2  LEU  37          HD23      LEU  37  -9.073  -0.201   3.357
  314    H    ARG  38           HN       ARG  38 -11.323  -2.847  -0.367
  315    HA   ARG  38           HA       ARG  38  -8.578  -3.240  -0.802
  316   1HB   ARG  38          HB2       ARG  38  -9.817  -4.986   0.225
  317   2HB   ARG  38          HB3       ARG  38 -10.964  -5.069  -1.103
  318   1HG   ARG  38          HG2       ARG  38  -9.443  -6.186  -2.478
  319   2HG   ARG  38          HG3       ARG  38  -8.070  -5.687  -1.492
  320   1HD   ARG  38          HD2       ARG  38 -10.156  -7.341  -0.196
  321   2HD   ARG  38          HD3       ARG  38  -9.092  -8.134  -1.354
  322    HE   ARG  38           HE       ARG  38  -7.893  -6.541   0.787
  323   1HH1  ARG  38          HH12      ARG  38  -8.545  -9.706  -0.604
  324   2HH1  ARG  38          HH11      ARG  38  -7.374 -10.513   0.389
  325   1HH2  ARG  38          HH22      ARG  38  -6.349  -7.610   2.079
  326   2HH2  ARG  38          HH21      ARG  38  -6.133  -9.329   1.927
  327    H    GLN  39           HN       GLN  39 -11.355  -3.353  -2.974
  328    HA   GLN  39           HA       GLN  39 -10.045  -4.082  -5.334
  329   1HB   GLN  39          HB2       GLN  39 -12.366  -4.208  -5.429
  330   2HB   GLN  39          HB3       GLN  39 -12.584  -2.637  -4.683
  331   1HG   GLN  39          HG2       GLN  39 -11.438  -1.828  -6.925
  332   2HG   GLN  39          HG3       GLN  39 -12.119  -3.344  -7.511
  333   1HE2  GLN  39          HE21      GLN  39 -14.445  -3.680  -7.062
  334   2HE2  GLN  39          HE22      GLN  39 -15.488  -2.296  -7.151
  335    H    ARG  40           HN       ARG  40 -10.662  -0.890  -3.923
  336    HA   ARG  40           HA       ARG  40  -9.504   0.569  -6.071
  337   1HB   ARG  40          HB2       ARG  40 -10.124   1.329  -3.217
  338   2HB   ARG  40          HB3       ARG  40  -9.491   2.463  -4.402
  339   1HG   ARG  40          HG2       ARG  40 -11.887   0.951  -5.211
  340   2HG   ARG  40          HG3       ARG  40 -12.100   2.116  -3.903
  341   1HD   ARG  40          HD2       ARG  40 -10.836   3.745  -5.458
  342   2HD   ARG  40          HD3       ARG  40 -11.225   2.588  -6.732
  343    HE   ARG  40           HE       ARG  40 -13.573   3.182  -5.307
  344   1HH1  ARG  40          HH12      ARG  40 -11.330   4.743  -7.520
  345   2HH1  ARG  40          HH11      ARG  40 -12.533   5.831  -8.147
  346   1HH2  ARG  40          HH22      ARG  40 -15.126   4.608  -6.132
  347   2HH2  ARG  40          HH21      ARG  40 -14.680   5.755  -7.368
  348    H    TRP  41           HN       TRP  41  -8.242  -0.914  -3.182
  349    HA   TRP  41           HA       TRP  41  -5.744   0.379  -3.068
  350   1HB   TRP  41          HB2       TRP  41  -6.994  -1.982  -1.890
  351   2HB   TRP  41          HB3       TRP  41  -5.277  -2.221  -2.194
  352    HD1  TRP  41           HD1      TRP  41  -7.441   0.590  -0.606
  353    HE1  TRP  41           HE1      TRP  41  -6.208   1.453   1.480
  354    HE3  TRP  41           HE3      TRP  41  -3.284  -2.380  -0.836
  355    HZ2  TRP  41           HZ2      TRP  41  -3.799   0.940   2.850
  356    HZ3  TRP  41           HZ3      TRP  41  -1.561  -2.130   0.905
  357    HH2  TRP  41           HH2      TRP  41  -1.812  -0.502   2.711
  358    H    LEU  42           HN       LEU  42  -6.933  -2.322  -4.960
  359    HA   LEU  42           HA       LEU  42  -4.430  -3.223  -5.935
  360   1HB   LEU  42          HB2       LEU  42  -6.997  -3.511  -7.458
  361   2HB   LEU  42          HB3       LEU  42  -5.634  -4.609  -7.390
  362    HG   LEU  42           HG       LEU  42  -7.541  -4.101  -5.107
  363   1HD1  LEU  42          HD11      LEU  42  -7.919  -6.671  -5.824
  364   2HD1  LEU  42          HD12      LEU  42  -8.915  -5.333  -6.401
  365   3HD1  LEU  42          HD13      LEU  42  -7.595  -5.946  -7.398
  366   1HD2  LEU  42          HD21      LEU  42  -6.283  -6.509  -4.711
  367   2HD2  LEU  42          HD22      LEU  42  -4.991  -5.493  -5.347
  368   3HD2  LEU  42          HD23      LEU  42  -5.878  -4.993  -3.907
  369    H    THR  43           HN       THR  43  -6.370  -0.528  -6.726
  370    HA   THR  43           HA       THR  43  -6.025  -0.220  -9.453
  371    HB   THR  43           HB       THR  43  -6.286   1.848  -7.273
  372    HG1  THR  43           HG1      THR  43  -7.990   0.161  -8.538
  373   1HG2  THR  43          HG21      THR  43  -5.468   2.349  -9.894
  374   2HG2  THR  43          HG22      THR  43  -6.109   3.520  -8.741
  375   3HG2  THR  43          HG23      THR  43  -7.193   2.716  -9.877
  376    H    ALA  44           HN       ALA  44  -3.845   0.819  -6.839
  377    HA   ALA  44           HA       ALA  44  -2.135   2.170  -8.750
  378   1HB   ALA  44          HB1       ALA  44  -2.744   2.784  -6.241
  379   2HB   ALA  44          HB2       ALA  44  -1.272   1.859  -5.948
  380   3HB   ALA  44          HB3       ALA  44  -1.230   3.270  -7.004
  381    H    ILE  45           HN       ILE  45  -2.141  -0.833  -6.955
  382    HA   ILE  45           HA       ILE  45   0.649  -1.356  -7.514
  383    HB   ILE  45           HB       ILE  45  -0.563  -3.784  -6.789
  384   1HG1  ILE  45          HG12      ILE  45  -1.510  -1.576  -4.959
  385   2HG1  ILE  45          HG13      ILE  45  -2.543  -2.364  -6.139
  386   1HG2  ILE  45          HG21      ILE  45   0.868  -3.687  -4.951
  387   2HG2  ILE  45          HG22      ILE  45   1.672  -2.714  -6.183
  388   3HG2  ILE  45          HG23      ILE  45   0.797  -1.927  -4.869
  389   1HD1  ILE  45          HD11      ILE  45  -3.069  -3.760  -4.497
  390   2HD1  ILE  45          HD12      ILE  45  -1.482  -4.482  -4.762
  391   3HD1  ILE  45          HD13      ILE  45  -1.697  -3.258  -3.509
  392    H    GLY  46           HN       GLY  46  -2.371  -1.891  -9.049
  393   1HA   GLY  46          HA1       GLY  46  -2.923  -2.910 -11.035
  394   2HA   GLY  46          HA2       GLY  46  -1.200  -3.081 -11.355
  395    H    ARG  47           HN       ARG  47  -2.940  -4.322  -8.566
  396    HA   ARG  47           HA       ARG  47  -2.056  -7.018  -9.335
  397   1HB   ARG  47          HB2       ARG  47  -2.466  -5.675  -6.685
  398   2HB   ARG  47          HB3       ARG  47  -2.499  -7.427  -6.802
  399   1HG   ARG  47          HG2       ARG  47  -0.211  -5.694  -7.706
  400   2HG   ARG  47          HG3       ARG  47  -0.299  -6.514  -6.147
  401   1HD   ARG  47          HD2       ARG  47   0.602  -8.307  -7.097
  402   2HD   ARG  47          HD3       ARG  47  -0.853  -8.468  -8.079
  403    HE   ARG  47           HE       ARG  47   1.431  -6.817  -8.944
  404   1HH1  ARG  47          HH12      ARG  47  -0.918  -9.346  -9.557
  405   2HH1  ARG  47          HH11      ARG  47  -0.439  -9.554 -11.216
  406   1HH2  ARG  47          HH22      ARG  47   2.042  -7.075 -11.122
  407   2HH2  ARG  47          HH21      ARG  47   1.228  -8.258 -12.106
  408    H    THR  48           HN       THR  48  -3.442  -8.814  -8.761
  409    HA   THR  48           HA       THR  48  -6.287  -8.086  -8.614
  410    HB   THR  48           HB       THR  48  -6.157 -10.690  -9.610
  411    HG1  THR  48           HG1      THR  48  -4.254 -10.780 -10.550
  412   1HG2  THR  48          HG21      THR  48  -7.039  -9.684 -11.664
  413   2HG2  THR  48          HG22      THR  48  -6.524  -8.093 -11.109
  414   3HG2  THR  48          HG23      THR  48  -7.783  -8.965 -10.237
  415    H    GLU  49           HN       GLU  49  -7.402 -10.485  -8.017
  416    HA   GLU  49           HA       GLU  49  -6.870 -10.570  -5.218
  417   1HB   GLU  49          HB2       GLU  49  -8.573 -12.532  -6.747
  418   2HB   GLU  49          HB3       GLU  49  -8.706 -12.076  -5.055
  419   1HG   GLU  49          HG2       GLU  49  -9.717 -10.063  -5.535
  420   2HG   GLU  49          HG3       GLU  49  -9.066 -10.011  -7.174
  421    H    GLU  50           HN       GLU  50  -5.851 -12.443  -7.930
  422    HA   GLU  50           HA       GLU  50  -5.055 -14.733  -6.392
  423   1HB   GLU  50          HB2       GLU  50  -4.956 -15.720  -8.386
  424   2HB   GLU  50          HB3       GLU  50  -5.556 -14.216  -9.063
  425   1HG   GLU  50          HG2       GLU  50  -2.651 -14.332  -8.634
  426   2HG   GLU  50          HG3       GLU  50  -3.298 -15.448  -9.831
  427    H    THR  51           HN       THR  51  -3.694 -11.672  -6.984
  428    HA   THR  51           HA       THR  51  -1.006 -12.713  -6.383
  429    HB   THR  51           HB       THR  51  -0.319 -10.491  -7.643
  430    HG1  THR  51           HG1      THR  51  -2.697 -11.219  -9.056
  431   1HG2  THR  51          HG21      THR  51  -0.256 -13.156  -8.230
  432   2HG2  THR  51          HG22      THR  51   0.450 -11.887  -9.232
  433   3HG2  THR  51          HG23      THR  51  -1.163 -12.507  -9.598
  434    H    VAL  52           HN       VAL  52  -3.435 -11.016  -4.999
  435    HA   VAL  52           HA       VAL  52  -1.629  -9.025  -3.825
  436    HB   VAL  52           HB       VAL  52  -3.813  -8.343  -5.051
  437   1HG1  VAL  52          HG11      VAL  52  -5.798  -8.238  -3.718
  438   2HG1  VAL  52          HG12      VAL  52  -5.254  -9.914  -3.779
  439   3HG1  VAL  52          HG13      VAL  52  -4.964  -8.944  -2.336
  440   1HG2  VAL  52          HG21      VAL  52  -4.126  -6.690  -2.887
  441   2HG2  VAL  52          HG22      VAL  52  -2.472  -7.271  -2.699
  442   3HG2  VAL  52          HG23      VAL  52  -2.962  -6.468  -4.192
  443    H    VAL  53           HN       VAL  53  -3.319 -11.864  -3.078
  444    HA   VAL  53           HA       VAL  53  -3.289 -11.212  -0.216
  445    HB   VAL  53           HB       VAL  53  -4.577 -13.734  -1.085
  446   1HG1  VAL  53          HG11      VAL  53  -4.421 -12.481   1.253
  447   2HG1  VAL  53          HG12      VAL  53  -5.879 -11.701   0.638
  448   3HG1  VAL  53          HG13      VAL  53  -5.819 -13.456   0.800
  449   1HG2  VAL  53          HG21      VAL  53  -5.599 -11.021  -1.860
  450   2HG2  VAL  53          HG22      VAL  53  -5.492 -12.486  -2.835
  451   3HG2  VAL  53          HG23      VAL  53  -6.703 -12.363  -1.559
  452    H    SER  54           HN       SER  54  -1.114 -12.260  -2.152
  453    HA   SER  54           HA       SER  54  -0.328 -14.687  -0.780
  454   1HB   SER  54          HB2       SER  54   1.702 -13.449  -2.463
  455   2HB   SER  54          HB3       SER  54   0.940 -15.034  -2.611
  456    HG   SER  54           HG       SER  54  -0.145 -14.233  -4.207
  457    H    GLN  55           HN       GLN  55   2.462 -13.058  -1.413
  458    HA   GLN  55           HA       GLN  55   2.870 -12.449   1.403
  459   1HB   GLN  55          HB2       GLN  55   4.524 -13.730  -0.083
  460   2HB   GLN  55          HB3       GLN  55   4.898 -12.177  -0.816
  461   1HG   GLN  55          HG2       GLN  55   5.014 -12.089   2.083
  462   2HG   GLN  55          HG3       GLN  55   6.108 -13.290   1.397
  463   1HE2  GLN  55          HE21      GLN  55   7.078 -12.265  -0.800
  464   2HE2  GLN  55          HE22      GLN  55   7.870 -10.751  -0.532
  465    H    LEU  56           HN       LEU  56   1.668 -10.838  -1.179
  466    HA   LEU  56           HA       LEU  56   3.153  -8.539  -1.521
  467   1HB   LEU  56          HB2       LEU  56   0.847  -9.522  -2.566
  468   2HB   LEU  56          HB3       LEU  56   0.239  -8.161  -1.639
  469    HG   LEU  56           HG       LEU  56   2.289  -6.963  -2.919
  470   1HD1  LEU  56          HD11      LEU  56   2.739  -9.143  -4.115
  471   2HD1  LEU  56          HD12      LEU  56   1.215  -8.883  -4.964
  472   3HD1  LEU  56          HD13      LEU  56   2.531  -7.722  -5.137
  473   1HD2  LEU  56          HD21      LEU  56  -0.374  -6.686  -2.852
  474   2HD2  LEU  56          HD22      LEU  56   0.669  -5.769  -3.936
  475   3HD2  LEU  56          HD23      LEU  56  -0.173  -7.204  -4.526
  476    H    ARG  57           HN       ARG  57   3.576  -6.828  -0.374
  477    HA   ARG  57           HA       ARG  57   1.710  -5.920   1.691
  478   1HB   ARG  57          HB2       ARG  57   4.127  -7.235   2.263
  479   2HB   ARG  57          HB3       ARG  57   4.451  -5.527   2.528
  480   1HG   ARG  57          HG2       ARG  57   3.741  -6.325   4.598
  481   2HG   ARG  57          HG3       ARG  57   2.328  -5.505   3.927
  482   1HD   ARG  57          HD2       ARG  57   1.134  -7.372   4.040
  483   2HD   ARG  57          HD3       ARG  57   2.341  -8.250   3.102
  484    HE   ARG  57           HE       ARG  57   2.231  -8.036   6.036
  485   1HH1  ARG  57          HH12      ARG  57   3.576  -9.510   3.134
  486   2HH1  ARG  57          HH11      ARG  57   4.403 -10.758   4.009
  487   1HH2  ARG  57          HH22      ARG  57   3.344  -9.678   7.179
  488   2HH2  ARG  57          HH21      ARG  57   4.291 -10.848   6.299
  489    H    ILE  58           HN       ILE  58   2.017  -3.642   2.234
  490    HA   ILE  58           HA       ILE  58   3.408  -2.173   0.083
  491    HB   ILE  58           HB       ILE  58   0.749  -1.424   1.313
  492   1HG1  ILE  58          HG12      ILE  58   0.616  -3.410  -0.177
  493   2HG1  ILE  58          HG13      ILE  58  -0.263  -2.021  -0.803
  494   1HG2  ILE  58          HG21      ILE  58   1.590   0.600   0.691
  495   2HG2  ILE  58          HG22      ILE  58   2.580  -0.080  -0.601
  496   3HG2  ILE  58          HG23      ILE  58   0.841   0.103  -0.827
  497   1HD1  ILE  58          HD11      ILE  58   0.785  -2.751  -2.693
  498   2HD1  ILE  58          HD12      ILE  58   1.981  -1.597  -2.101
  499   3HD1  ILE  58          HD13      ILE  58   2.204  -3.323  -1.819
  500    H    CYS  59           HN       CYS  59   4.704  -0.556   0.728
  501    HA   CYS  59           HA       CYS  59   5.374  -0.121   3.405
  502   1HB   CYS  59          HB2       CYS  59   5.793   1.889   1.209
  503   2HB   CYS  59          HB3       CYS  59   6.787   1.627   2.634
  504    H    SER  60           HN       SER  60   5.097   1.684   4.744
  505    HA   SER  60           HA       SER  60   2.522   2.908   4.697
  506   1HB   SER  60          HB2       SER  60   4.256   4.264   6.499
  507   2HB   SER  60          HB3       SER  60   3.025   3.058   6.880
  508    HG   SER  60           HG       SER  60   4.595   1.436   6.529
  509    H    ALA  61           HN       ALA  61   5.449   3.571   3.183
  510    HA   ALA  61           HA       ALA  61   5.322   6.443   3.193
  511   1HB   ALA  61          HB1       ALA  61   7.141   4.392   2.216
  512   2HB   ALA  61          HB2       ALA  61   6.972   5.750   1.106
  513   3HB   ALA  61          HB3       ALA  61   7.476   6.032   2.772
  514    H    HIS  62           HN       HIS  62   3.452   4.203   1.728
  515    HA   HIS  62           HA       HIS  62   3.177   5.610  -0.813
  516   1HB   HIS  62          HB2       HIS  62   1.970   3.036   0.224
  517   2HB   HIS  62          HB3       HIS  62   1.594   3.728  -1.351
  518    HD1  HIS  62           HD1      HIS  62   3.668   3.862  -3.076
  519    HD2  HIS  62           HD2      HIS  62   4.238   1.518   0.325
  520    HE1  HIS  62           HE1      HIS  62   5.711   2.413  -3.524
  521    H    PHE  63           HN       PHE  63   2.372   6.691   1.833
  522    HA   PHE  63           HA       PHE  63  -0.401   7.361   1.162
  523   1HB   PHE  63          HB2       PHE  63   0.575   6.694   3.954
  524   2HB   PHE  63          HB3       PHE  63  -1.044   7.247   3.534
  525    HD1  PHE  63           HD1      PHE  63   1.195   4.429   3.735
  526    HD2  PHE  63           HD2      PHE  63  -2.527   5.783   2.186
  527    HE1  PHE  63           HE1      PHE  63   0.500   2.099   3.379
  528    HE2  PHE  63           HE2      PHE  63  -3.233   3.455   1.828
  529    HZ   PHE  63           HZ       PHE  63  -1.715   1.608   2.424
  530    H    GLU  64           HN       GLU  64  -1.031   9.233   2.875
  531    HA   GLU  64           HA       GLU  64   0.728  11.369   2.130
  532   1HB   GLU  64          HB2       GLU  64  -0.964  12.843   2.902
  533   2HB   GLU  64          HB3       GLU  64  -1.799  11.488   2.155
  534   1HG   GLU  64          HG2       GLU  64  -1.913  10.536   4.555
  535   2HG   GLU  64          HG3       GLU  64  -1.567  12.192   5.050
  536    H    GLY  65           HN       GLY  65   1.149   9.242   4.450
  537   1HA   GLY  65          HA1       GLY  65   2.894  10.873   5.975
  538   2HA   GLY  65          HA2       GLY  65   1.410  10.570   6.876
  539    H    GLY  66           HN       GLY  66   0.792   8.024   6.259
  540   1HA   GLY  66          HA1       GLY  66   2.324   5.940   5.964
  541   2HA   GLY  66          HA2       GLY  66   3.060   6.560   7.430
  542    H    GLU  67           HN       GLU  67  -0.310   7.073   7.213
  543    HA   GLU  67           HA       GLU  67  -0.755   4.815   9.048
  544   1HB   GLU  67          HB2       GLU  67  -1.486   7.624   9.167
  545   2HB   GLU  67          HB3       GLU  67  -2.882   6.568   9.339
  546   1HG   GLU  67          HG2       GLU  67  -0.729   5.582  10.940
  547   2HG   GLU  67          HG3       GLU  67  -1.017   7.286  11.296
  548    H    LYS  68           HN       LYS  68  -1.937   3.224   8.233
  549    HA   LYS  68           HA       LYS  68  -3.673   3.737   5.938
  550   1HB   LYS  68          HB2       LYS  68  -2.264   1.808   5.704
  551   2HB   LYS  68          HB3       LYS  68  -2.778   1.172   7.260
  552   1HG   LYS  68          HG2       LYS  68  -5.157   1.376   5.971
  553   2HG   LYS  68          HG3       LYS  68  -4.072   1.036   4.625
  554   1HD   LYS  68          HD2       LYS  68  -4.738  -1.083   5.316
  555   2HD   LYS  68          HD3       LYS  68  -3.177  -0.874   6.106
  556   1HE   LYS  68          HE2       LYS  68  -4.863  -1.841   7.610
  557   2HE   LYS  68          HE3       LYS  68  -4.265  -0.288   8.184
  558   1HZ   LYS  68          HZ1       LYS  68  -6.429   0.166   8.426
  559   2HZ   LYS  68          HZ2       LYS  68  -6.932  -1.043   7.357
  560   3HZ   LYS  68          HZ3       LYS  68  -6.415   0.456   6.756
  561    H    LYS  69           HN       LYS  69  -5.608   4.510   6.478
  562    HA   LYS  69           HA       LYS  69  -7.055   3.247   8.687
  563   1HB   LYS  69          HB2       LYS  69  -7.865   5.540   6.879
  564   2HB   LYS  69          HB3       LYS  69  -8.761   4.970   8.278
  565   1HG   LYS  69          HG2       LYS  69  -5.950   5.801   8.702
  566   2HG   LYS  69          HG3       LYS  69  -7.144   7.062   8.387
  567   1HD   LYS  69          HD2       LYS  69  -7.834   4.980  10.383
  568   2HD   LYS  69          HD3       LYS  69  -6.622   6.179  10.841
  569   1HE   LYS  69          HE2       LYS  69  -8.136   7.966  10.537
  570   2HE   LYS  69          HE3       LYS  69  -9.286   6.947   9.671
  571   1HZ   LYS  69          HZ1       LYS  69  -8.709   7.044  12.563
  572   2HZ   LYS  69          HZ2       LYS  69  -9.393   5.652  11.871
  573   3HZ   LYS  69          HZ3       LYS  69 -10.205   7.138  11.771
  574    H    GLU  70           HN       GLU  70  -9.578   3.900   7.070
  575    HA   GLU  70           HA       GLU  70  -9.447   1.517   5.346
  576   1HB   GLU  70          HB2       GLU  70 -12.001   2.546   6.552
  577   2HB   GLU  70          HB3       GLU  70 -11.641   0.933   5.949
  578   1HG   GLU  70          HG2       GLU  70 -10.185   2.022   8.319
  579   2HG   GLU  70          HG3       GLU  70 -11.800   1.345   8.497
  580    H    GLY  71           HN       GLY  71  -8.689   4.033   4.439
  581   1HA   GLY  71          HA1       GLY  71 -10.617   4.387   2.292
  582   2HA   GLY  71          HA2       GLY  71 -10.342   5.793   3.308
  583    H    ASP  72           HN       ASP  72  -7.473   5.062   3.678
  584    HA   ASP  72           HA       ASP  72  -6.475   6.536   1.454
  585   1HB   ASP  72          HB2       ASP  72  -4.556   5.069   3.187
  586   2HB   ASP  72          HB3       ASP  72  -4.540   6.747   2.652
  587    H    ILE  73           HN       ILE  73  -5.951   5.773  -0.464
  588    HA   ILE  73           HA       ILE  73  -5.265   2.952  -0.804
  589    HB   ILE  73           HB       ILE  73  -5.843   5.152  -2.799
  590   1HG1  ILE  73          HG12      ILE  73  -7.463   2.738  -2.902
  591   2HG1  ILE  73          HG13      ILE  73  -7.550   3.531  -1.332
  592   1HG2  ILE  73          HG21      ILE  73  -4.930   3.974  -4.441
  593   2HG2  ILE  73          HG22      ILE  73  -4.279   2.860  -3.240
  594   3HG2  ILE  73          HG23      ILE  73  -5.848   2.542  -3.981
  595   1HD1  ILE  73          HD11      ILE  73  -8.208   5.608  -2.418
  596   2HD1  ILE  73          HD12      ILE  73  -8.109   4.821  -3.992
  597   3HD1  ILE  73          HD13      ILE  73  -9.313   4.295  -2.817
  598    HA   PRO  74           HA       PRO  74  -0.954   3.967  -0.775
  599   1HB   PRO  74          HB2       PRO  74   0.033   1.812  -2.095
  600   2HB   PRO  74          HB3       PRO  74  -0.564   1.724  -0.434
  601   1HG   PRO  74          HG2       PRO  74  -1.936   0.974  -2.985
  602   2HG   PRO  74          HG3       PRO  74  -1.904   0.109  -1.436
  603   1HD   PRO  74          HD2       PRO  74  -3.994   1.640  -2.218
  604   2HD   PRO  74          HD3       PRO  74  -3.535   1.452  -0.516
  605    H    VAL  75           HN       VAL  75  -0.171   5.555  -2.018
  606    HA   VAL  75           HA       VAL  75  -0.580   5.405  -4.912
  607    HB   VAL  75           HB       VAL  75   0.398   7.804  -4.798
  608   1HG1  VAL  75          HG11      VAL  75  -2.231   7.726  -3.438
  609   2HG1  VAL  75          HG12      VAL  75  -1.730   8.577  -4.898
  610   3HG1  VAL  75          HG13      VAL  75  -2.086   6.853  -4.962
  611   1HG2  VAL  75          HG21      VAL  75   0.553   8.900  -2.807
  612   2HG2  VAL  75          HG22      VAL  75  -0.679   7.903  -2.034
  613   3HG2  VAL  75          HG23      VAL  75   0.954   7.275  -2.251
  614    HA   PRO  76           HA       PRO  76   3.575   4.445  -5.863
  615   1HB   PRO  76          HB2       PRO  76   3.745   6.421  -7.986
  616   2HB   PRO  76          HB3       PRO  76   3.622   4.667  -8.108
  617   1HG   PRO  76          HG2       PRO  76   1.621   6.390  -8.824
  618   2HG   PRO  76          HG3       PRO  76   1.356   4.715  -8.321
  619   1HD   PRO  76          HD2       PRO  76   0.938   7.242  -6.798
  620   2HD   PRO  76          HD3       PRO  76   0.044   5.705  -6.734
  621    H    ASP  77           HN       ASP  77   2.804   7.845  -5.684
  622    HA   ASP  77           HA       ASP  77   5.078   8.458  -4.052
  623   1HB   ASP  77          HB2       ASP  77   6.070   8.476  -6.374
  624   2HB   ASP  77          HB3       ASP  77   4.943   9.763  -6.784
  625    HA   PRO  78           HA       PRO  78   1.502  11.047  -2.981
  626   1HB   PRO  78          HB2       PRO  78   3.313  11.757  -0.745
  627   2HB   PRO  78          HB3       PRO  78   1.651  11.158  -0.701
  628   1HG   PRO  78          HG2       PRO  78   3.700   9.587  -0.013
  629   2HG   PRO  78          HG3       PRO  78   2.302   8.945  -0.895
  630   1HD   PRO  78          HD2       PRO  78   5.022   9.659  -1.916
  631   2HD   PRO  78          HD3       PRO  78   3.988   8.277  -2.334
  632    H    THR  79           HN       THR  79   4.722  11.786  -3.741
  633    HA   THR  79           HA       THR  79   4.247  14.679  -3.618
  634    HB   THR  79           HB       THR  79   6.929  14.026  -4.391
  635    HG1  THR  79           HG1      THR  79   6.519  12.006  -3.347
  636   1HG2  THR  79          HG21      THR  79   6.168  14.960  -1.665
  637   2HG2  THR  79          HG22      THR  79   5.814  15.990  -3.052
  638   3HG2  THR  79          HG23      THR  79   7.476  15.506  -2.713
  639    H    VAL  80           HN       VAL  80   3.709  12.340  -5.774
  640    HA   VAL  80           HA       VAL  80   4.290  14.105  -8.042
  641    HB   VAL  80           HB       VAL  80   5.490  11.445  -7.606
  642   1HG1  VAL  80          HG11      VAL  80   3.876  10.861  -9.359
  643   2HG1  VAL  80          HG12      VAL  80   4.495  12.176 -10.358
  644   3HG1  VAL  80          HG13      VAL  80   5.535  10.811  -9.951
  645   1HG2  VAL  80          HG21      VAL  80   6.376  13.424  -9.645
  646   2HG2  VAL  80          HG22      VAL  80   6.539  13.821  -7.934
  647   3HG2  VAL  80          HG23      VAL  80   7.332  12.387  -8.586
  648    H    ASP  81           HN       ASP  81   2.693  11.152  -6.926
  649    HA   ASP  81           HA       ASP  81   0.649  11.479  -9.004
  650   1HB   ASP  81          HB2       ASP  81   1.869   9.238  -8.524
  651   2HB   ASP  81          HB3       ASP  81   0.836   9.152  -7.103
  652    H    LYS  82           HN       LYS  82  -1.470  11.867  -8.486
  653    HA   LYS  82           HA       LYS  82  -1.998  13.205  -6.061
  654   1HB   LYS  82          HB2       LYS  82  -3.903  12.128  -8.149
  655   2HB   LYS  82          HB3       LYS  82  -4.370  13.197  -6.834
  656   1HG   LYS  82          HG2       LYS  82  -2.181  14.401  -8.159
  657   2HG   LYS  82          HG3       LYS  82  -3.325  13.865  -9.392
  658   1HD   LYS  82          HD2       LYS  82  -4.484  15.720  -8.967
  659   2HD   LYS  82          HD3       LYS  82  -4.921  14.994  -7.419
  660   1HE   LYS  82          HE2       LYS  82  -4.033  17.011  -6.745
  661   2HE   LYS  82          HE3       LYS  82  -2.624  15.957  -6.641
  662   1HZ   LYS  82          HZ1       LYS  82  -2.281  16.769  -9.088
  663   2HZ   LYS  82          HZ2       LYS  82  -1.766  17.718  -7.782
  664   3HZ   LYS  82          HZ3       LYS  82  -3.222  18.083  -8.572
  665    H    GLN  83           HN       GLN  83  -1.821  12.097  -4.234
  666    HA   GLN  83           HA       GLN  83  -2.301   9.616  -3.428
  667   1HB   GLN  83          HB2       GLN  83  -1.642  11.234  -1.824
  668   2HB   GLN  83          HB3       GLN  83  -3.098  12.183  -2.075
  669   1HG   GLN  83          HG2       GLN  83  -3.330  11.103   0.008
  670   2HG   GLN  83          HG3       GLN  83  -4.398  10.267  -1.117
  671   1HE2  GLN  83          HE21      GLN  83  -4.282   8.138  -1.161
  672   2HE2  GLN  83          HE22      GLN  83  -2.967   7.180  -0.572
  673    H    ILE  84           HN       ILE  84  -3.832   8.235  -4.037
  674    HA   ILE  84           HA       ILE  84  -6.533   9.077  -4.515
  675    HB   ILE  84           HB       ILE  84  -5.791   6.186  -4.289
  676   1HG1  ILE  84          HG12      ILE  84  -5.446   7.220  -6.987
  677   2HG1  ILE  84          HG13      ILE  84  -4.278   7.919  -5.866
  678   1HG2  ILE  84          HG21      ILE  84  -8.114   7.265  -4.836
  679   2HG2  ILE  84          HG22      ILE  84  -7.433   7.396  -6.458
  680   3HG2  ILE  84          HG23      ILE  84  -7.570   5.818  -5.684
  681   1HD1  ILE  84          HD11      ILE  84  -3.406   5.930  -6.956
  682   2HD1  ILE  84          HD12      ILE  84  -3.566   5.683  -5.216
  683   3HD1  ILE  84          HD13      ILE  84  -4.750   4.983  -6.319
  684    H    LYS  85           HN       LYS  85  -8.124   9.142  -3.037
  685    HA   LYS  85           HA       LYS  85  -7.914   7.399  -0.691
  686   1HB   LYS  85          HB2       LYS  85  -8.063   9.079   0.884
  687   2HB   LYS  85          HB3       LYS  85  -7.057   9.852  -0.333
  688   1HG   LYS  85          HG2       LYS  85  -8.522  11.492  -0.575
  689   2HG   LYS  85          HG3       LYS  85  -9.825  10.347  -0.896
  690   1HD   LYS  85          HD2       LYS  85 -10.718  10.896   1.063
  691   2HD   LYS  85          HD3       LYS  85  -9.314  10.182   1.857
  692   1HE   LYS  85          HE2       LYS  85  -8.481  12.180   2.413
  693   2HE   LYS  85          HE3       LYS  85  -8.800  12.850   0.813
  694   1HZ   LYS  85          HZ1       LYS  85 -11.278  12.625   1.899
  695   2HZ   LYS  85          HZ2       LYS  85 -10.351  14.049   1.839
  696   3HZ   LYS  85          HZ3       LYS  85 -10.327  13.082   3.233
  697    H    ILE  86           HN       ILE  86  -9.833   6.764   0.192
  698    HA   ILE  86           HA       ILE  86 -12.251   7.451  -1.330
  699    HB   ILE  86           HB       ILE  86 -11.826   5.190   0.640
  700   1HG1  ILE  86          HG12      ILE  86 -12.260   4.627  -2.229
  701   2HG1  ILE  86          HG13      ILE  86 -10.702   5.336  -1.821
  702   1HG2  ILE  86          HG21      ILE  86 -13.980   4.780  -1.193
  703   2HG2  ILE  86          HG22      ILE  86 -14.015   4.850   0.569
  704   3HG2  ILE  86          HG23      ILE  86 -14.190   6.331  -0.376
  705   1HD1  ILE  86          HD11      ILE  86  -9.952   3.418  -1.002
  706   2HD1  ILE  86          HD12      ILE  86 -11.403   3.178  -0.028
  707   3HD1  ILE  86          HD13      ILE  86 -11.380   2.663  -1.713
  708    H    GLU  87           HN       GLU  87 -13.866   8.571  -0.397
  709    HA   GLU  87           HA       GLU  87 -13.426   9.632   2.262
  710   1HB   GLU  87          HB2       GLU  87 -14.469  10.755   0.059
  711   2HB   GLU  87          HB3       GLU  87 -15.955  10.173   0.795
  712   1HG   GLU  87          HG2       GLU  87 -15.625  12.421   1.479
  713   2HG   GLU  87          HG3       GLU  87 -15.330  11.385   2.872
  714    H    LEU  88           HN       LEU  88 -13.823   8.184   3.816
  715    HA   LEU  88           HA       LEU  88 -16.023   6.308   3.577
  716   1HB   LEU  88          HB2       LEU  88 -13.875   5.508   4.400
  717   2HB   LEU  88          HB3       LEU  88 -13.908   6.681   5.700
  718    HG   LEU  88           HG       LEU  88 -16.153   5.414   6.326
  719   1HD1  LEU  88          HD11      LEU  88 -16.495   3.425   5.391
  720   2HD1  LEU  88          HD12      LEU  88 -15.308   3.896   4.174
  721   3HD1  LEU  88          HD13      LEU  88 -14.806   2.960   5.582
  722   1HD2  LEU  88          HD21      LEU  88 -13.305   4.750   6.935
  723   2HD2  LEU  88          HD22      LEU  88 -14.527   5.502   7.960
  724   3HD2  LEU  88          HD23      LEU  88 -14.601   3.772   7.620
  725    HA   PRO  89           HA       PRO  89 -18.845   8.917   5.868
  726   1HB   PRO  89          HB2       PRO  89 -20.587   6.860   6.476
  727   2HB   PRO  89          HB3       PRO  89 -20.618   7.788   4.974
  728   1HG   PRO  89          HG2       PRO  89 -19.426   5.104   5.519
  729   2HG   PRO  89          HG3       PRO  89 -20.316   5.669   4.091
  730   1HD   PRO  89          HD2       PRO  89 -17.641   5.453   4.083
  731   2HD   PRO  89          HD3       PRO  89 -18.471   6.763   3.219
  732    HA   PRO  90           HA       PRO  90 -17.353   8.283  10.007
  733   1HB   PRO  90          HB2       PRO  90 -19.946   9.494  10.800
  734   2HB   PRO  90          HB3       PRO  90 -18.301   9.987  11.214
  735   1HG   PRO  90          HG2       PRO  90 -19.731  11.379   9.452
  736   2HG   PRO  90          HG3       PRO  90 -17.994  11.115   9.209
  737   1HD   PRO  90          HD2       PRO  90 -20.320   9.768   7.897
  738   2HD   PRO  90          HD3       PRO  90 -18.770  10.279   7.197
  739    H    LYS  91           HN       LYS  91 -20.712   7.518   9.219
  740    HA   LYS  91           HA       LYS  91 -20.464   4.967  10.532
  741   1HB   LYS  91          HB2       LYS  91 -21.216   6.586  12.328
  742   2HB   LYS  91          HB3       LYS  91 -22.683   6.835  11.394
  743   1HG   LYS  91          HG2       LYS  91 -22.817   5.202  13.317
  744   2HG   LYS  91          HG3       LYS  91 -23.421   4.637  11.759
  745   1HD   LYS  91          HD2       LYS  91 -20.864   3.830  11.580
  746   2HD   LYS  91          HD3       LYS  91 -21.084   3.750  13.331
  747   1HE   LYS  91          HE2       LYS  91 -21.802   1.659  12.757
  748   2HE   LYS  91          HE3       LYS  91 -23.325   2.541  12.645
  749   1HZ   LYS  91          HZ1       LYS  91 -22.453   2.863  10.173
  750   2HZ   LYS  91          HZ2       LYS  91 -23.365   1.509  10.647
  751   3HZ   LYS  91          HZ3       LYS  91 -21.676   1.394  10.529
  Start of MODEL   13
    1   1H    GLY   1          H1        GLY   1   9.924 -13.023  -0.903
    2   2H    GLY   1          H2        GLY   1  11.275 -12.114  -0.416
    3   3H    GLY   1          H3        GLY   1  10.440 -13.068   0.710
    4   1HA   GLY   1          HA2       GLY   1  11.042 -14.994  -0.924
    5   2HA   GLY   1          HA1       GLY   1  12.329 -13.883  -1.375
    6    H    SER   2           HN       SER   2  14.111 -13.764  -0.105
    7    HA   SER   2           HA       SER   2  14.470 -15.516   2.085
    8   1HB   SER   2          HB2       SER   2  16.315 -13.339   2.248
    9   2HB   SER   2          HB3       SER   2  16.610 -14.973   1.651
   10    HG   SER   2           HG       SER   2  16.535 -14.263  -0.336
   11    H    MET   3           HN       MET   3  13.685 -12.104   1.793
   12    HA   MET   3           HA       MET   3  13.328 -11.796   4.655
   13   1HB   MET   3          HB2       MET   3  13.583 -10.055   2.354
   14   2HB   MET   3          HB3       MET   3  12.175  -9.615   3.311
   15   1HG   MET   3          HG2       MET   3  13.417  -8.750   4.939
   16   2HG   MET   3          HG3       MET   3  14.540 -10.109   4.931
   17   1HE   MET   3          HE1       MET   3  13.242  -7.624   2.449
   18   2HE   MET   3          HE2       MET   3  14.053  -6.313   3.308
   19   3HE   MET   3          HE3       MET   3  14.665  -6.850   1.745
   20    HA   PRO   4           HA       PRO   4   9.046 -13.025   4.559
   21   1HB   PRO   4          HB2       PRO   4   8.194 -11.696   6.784
   22   2HB   PRO   4          HB3       PRO   4   9.108 -13.208   6.842
   23   1HG   PRO   4          HG2       PRO   4  10.065 -10.396   7.191
   24   2HG   PRO   4          HG3       PRO   4  10.508 -11.852   8.103
   25   1HD   PRO   4          HD2       PRO   4  12.089 -10.812   6.171
   26   2HD   PRO   4          HD3       PRO   4  12.001 -12.557   6.486
   27    H    THR   5           HN       THR   5  10.034  -9.694   4.805
   28    HA   THR   5           HA       THR   5   7.451  -8.793   3.774
   29    HB   THR   5           HB       THR   5   8.825  -6.500   4.202
   30    HG1  THR   5           HG1      THR   5  10.583  -7.029   5.284
   31   1HG2  THR   5          HG21      THR   5   6.575  -7.245   5.068
   32   2HG2  THR   5          HG22      THR   5   7.521  -6.252   6.184
   33   3HG2  THR   5          HG23      THR   5   7.433  -7.999   6.416
   34    H    THR   6           HN       THR   6   7.235  -8.068   1.766
   35    HA   THR   6           HA       THR   6   9.512  -7.124   0.247
   36    HB   THR   6           HB       THR   6   7.793  -9.218  -1.058
   37    HG1  THR   6           HG1      THR   6   9.805  -9.613   0.842
   38   1HG2  THR   6          HG21      THR   6   9.954  -9.537  -2.349
   39   2HG2  THR   6          HG22      THR   6  10.552  -8.094  -1.528
   40   3HG2  THR   6          HG23      THR   6   9.138  -7.990  -2.578
   41    H    CYS   7           HN       CYS   7   8.904  -5.421  -0.962
   42    HA   CYS   7           HA       CYS   7   6.296  -4.402  -0.835
   43   1HB   CYS   7          HB2       CYS   7   8.355  -3.038  -1.220
   44   2HB   CYS   7          HB3       CYS   7   8.425  -3.678  -2.857
   45    H    GLY   8           HN       GLY   8   4.598  -4.528  -2.128
   46   1HA   GLY   8          HA1       GLY   8   4.750  -6.454  -4.339
   47   2HA   GLY   8          HA2       GLY   8   3.282  -5.982  -3.491
   48    H    PHE   9           HN       PHE   9   5.174  -3.311  -4.038
   49    HA   PHE   9           HA       PHE   9   3.377  -2.340  -6.073
   50   1HB   PHE   9          HB2       PHE   9   4.977  -1.188  -4.059
   51   2HB   PHE   9          HB3       PHE   9   5.644  -0.619  -5.586
   52    HD1  PHE   9           HD1      PHE   9   2.532  -0.827  -3.595
   53    HD2  PHE   9           HD2      PHE   9   4.572   1.036  -6.830
   54    HE1  PHE   9           HE1      PHE   9   0.724   0.827  -3.775
   55    HE2  PHE   9           HE2      PHE   9   2.768   2.693  -7.017
   56    HZ   PHE   9           HZ       PHE   9   0.846   2.598  -5.496
   57    HA   PRO  10           HA       PRO  10   6.002  -3.110  -9.631
   58   1HB   PRO  10          HB2       PRO  10   5.481  -0.782 -11.021
   59   2HB   PRO  10          HB3       PRO  10   4.458  -2.222 -11.058
   60   1HG   PRO  10          HG2       PRO  10   4.148   0.287  -9.468
   61   2HG   PRO  10          HG3       PRO  10   2.909  -0.688 -10.280
   62   1HD   PRO  10          HD2       PRO  10   3.293  -0.813  -7.622
   63   2HD   PRO  10          HD3       PRO  10   2.833  -2.243  -8.567
   64    H    ASN  11           HN       ASN  11   7.846  -2.868  -8.201
   65    HA   ASN  11           HA       ASN  11   9.961  -2.146  -7.848
   66   1HB   ASN  11          HB2       ASN  11   9.804  -1.446 -10.302
   67   2HB   ASN  11          HB3       ASN  11   9.481   0.179  -9.703
   68   1HD2  ASN  11          HD21      ASN  11  11.212   1.388  -9.802
   69   2HD2  ASN  11          HD22      ASN  11  12.837   0.884  -9.462
   70    H    CYS  12           HN       CYS  12   9.676  -1.627  -5.716
   71    HA   CYS  12           HA       CYS  12   8.557   0.755  -4.744
   72   1HB   CYS  12          HB2       CYS  12   9.133  -1.380  -3.442
   73   2HB   CYS  12          HB3       CYS  12  10.779  -0.750  -3.368
   74    H    LYS  13           HN       LYS  13   9.223   2.681  -5.358
   75    HA   LYS  13           HA       LYS  13  12.053   3.242  -5.713
   76   1HB   LYS  13          HB2       LYS  13  11.209   5.543  -6.320
   77   2HB   LYS  13          HB3       LYS  13  10.655   4.240  -7.360
   78   1HG   LYS  13          HG2       LYS  13   8.502   4.226  -6.262
   79   2HG   LYS  13          HG3       LYS  13   9.053   5.451  -5.117
   80   1HD   LYS  13          HD2       LYS  13   8.115   6.894  -6.559
   81   2HD   LYS  13          HD3       LYS  13   9.597   6.660  -7.487
   82   1HE   LYS  13          HE2       LYS  13   7.829   4.539  -8.125
   83   2HE   LYS  13          HE3       LYS  13   6.914   6.043  -8.215
   84   1HZ   LYS  13          HZ1       LYS  13   8.366   6.910  -9.816
   85   2HZ   LYS  13          HZ2       LYS  13   8.106   5.309 -10.305
   86   3HZ   LYS  13          HZ3       LYS  13   9.553   5.732  -9.526
   87    H    PHE  14           HN       PHE  14  10.086   2.976  -3.139
   88    HA   PHE  14           HA       PHE  14  11.011   5.412  -1.808
   89   1HB   PHE  14          HB2       PHE  14   8.665   3.640  -1.483
   90   2HB   PHE  14          HB3       PHE  14   9.308   4.375  -0.013
   91    HD1  PHE  14           HD1      PHE  14   9.065   6.699   0.412
   92    HD2  PHE  14           HD2      PHE  14   7.884   5.059  -3.330
   93    HE1  PHE  14           HE1      PHE  14   7.943   8.814  -0.155
   94    HE2  PHE  14           HE2      PHE  14   6.762   7.163  -3.903
   95    HZ   PHE  14           HZ       PHE  14   6.788   9.049  -2.317
   96    H    ARG  15           HN       ARG  15  10.888   1.883  -1.256
   97    HA   ARG  15           HA       ARG  15  12.383   1.924   1.138
   98   1HB   ARG  15          HB2       ARG  15  11.454  -0.062  -0.763
   99   2HB   ARG  15          HB3       ARG  15  13.069  -0.446  -0.184
  100   1HG   ARG  15          HG2       ARG  15  12.363  -0.903   1.904
  101   2HG   ARG  15          HG3       ARG  15  11.109   0.337   1.871
  102   1HD   ARG  15          HD2       ARG  15   9.744  -1.462   1.769
  103   2HD   ARG  15          HD3       ARG  15  10.107  -1.349   0.048
  104    HE   ARG  15           HE       ARG  15  11.312  -3.261   1.948
  105   1HH1  ARG  15          HH12      ARG  15  10.601  -2.248  -1.332
  106   2HH1  ARG  15          HH11      ARG  15  11.184  -3.721  -2.044
  107   1HH2  ARG  15          HH22      ARG  15  12.085  -5.167   1.040
  108   2HH2  ARG  15          HH21      ARG  15  12.074  -5.377  -0.688
  109    H    SER  16           HN       SER  16  13.335   1.538  -2.230
  110    HA   SER  16           HA       SER  16  16.131   1.430  -1.673
  111   1HB   SER  16          HB2       SER  16  15.220   2.110  -4.404
  112   2HB   SER  16          HB3       SER  16  16.318   0.840  -3.862
  113    HG   SER  16           HG       SER  16  13.706   0.657  -4.463
  114    H    ARG  17           HN       ARG  17  13.946   3.980  -1.758
  115    HA   ARG  17           HA       ARG  17  15.277   6.014  -3.124
  116   1HB   ARG  17          HB2       ARG  17  12.924   5.939  -1.935
  117   2HB   ARG  17          HB3       ARG  17  13.814   6.639  -0.592
  118   1HG   ARG  17          HG2       ARG  17  14.157   8.621  -1.665
  119   2HG   ARG  17          HG3       ARG  17  14.119   7.886  -3.268
  120   1HD   ARG  17          HD2       ARG  17  12.013   8.545  -3.478
  121   2HD   ARG  17          HD3       ARG  17  11.577   7.466  -2.153
  122    HE   ARG  17           HE       ARG  17  12.475   9.686  -0.873
  123   1HH1  ARG  17          HH12      ARG  17  10.113   9.187  -3.419
  124   2HH1  ARG  17          HH11      ARG  17   9.115  10.518  -2.918
  125   1HH2  ARG  17          HH22      ARG  17  11.165  11.448  -0.224
  126   2HH2  ARG  17          HH21      ARG  17   9.712  11.806  -1.106
  127    H    TYR  18           HN       TYR  18  15.531   5.044   0.273
  128    HA   TYR  18           HA       TYR  18  17.807   6.855   0.596
  129   1HB   TYR  18          HB2       TYR  18  17.290   5.475   3.018
  130   2HB   TYR  18          HB3       TYR  18  17.023   7.175   2.660
  131    HD1  TYR  18           HD1      TYR  18  15.469   3.889   2.988
  132    HD2  TYR  18           HD2      TYR  18  14.812   7.982   2.038
  133    HE1  TYR  18           HE1      TYR  18  13.051   3.552   3.237
  134    HE2  TYR  18           HE2      TYR  18  12.394   7.657   2.284
  135    HH   TYR  18           HH       TYR  18  10.858   5.066   2.088
  136    H    ARG  19           HN       ARG  19  17.602   4.104  -0.771
  137    HA   ARG  19           HA       ARG  19  18.678   2.115  -0.916
  138   1HB   ARG  19          HB2       ARG  19  20.612   3.992  -0.698
  139   2HB   ARG  19          HB3       ARG  19  20.999   2.995   0.698
  140   1HG   ARG  19          HG2       ARG  19  22.264   1.968  -0.888
  141   2HG   ARG  19          HG3       ARG  19  20.770   1.043  -1.051
  142   1HD   ARG  19          HD2       ARG  19  21.095   1.540  -3.241
  143   2HD   ARG  19          HD3       ARG  19  20.221   2.998  -2.769
  144    HE   ARG  19           HE       ARG  19  23.128   3.071  -2.587
  145   1HH1  ARG  19          HH12      ARG  19  20.237   3.948  -4.353
  146   2HH1  ARG  19          HH11      ARG  19  21.016   5.201  -5.264
  147   1HH2  ARG  19          HH22      ARG  19  24.169   4.688  -3.803
  148   2HH2  ARG  19          HH21      ARG  19  23.261   5.608  -4.963
  149    H    GLY  20           HN       GLY  20  16.828   2.230   1.065
  150   1HA   GLY  20          HA1       GLY  20  18.093   0.719   3.260
  151   2HA   GLY  20          HA2       GLY  20  16.705   1.775   3.491
  152    H    LEU  21           HN       LEU  21  17.763  -1.098   1.703
  153    HA   LEU  21           HA       LEU  21  15.055  -1.943   1.234
  154   1HB   LEU  21          HB2       LEU  21  17.713  -3.298   0.790
  155   2HB   LEU  21          HB3       LEU  21  16.177  -4.051   0.399
  156    HG   LEU  21           HG       LEU  21  17.166  -1.462  -0.800
  157   1HD1  LEU  21          HD11      LEU  21  18.516  -3.460  -1.425
  158   2HD1  LEU  21          HD12      LEU  21  17.046  -4.188  -2.073
  159   3HD1  LEU  21          HD13      LEU  21  17.678  -2.702  -2.778
  160   1HD2  LEU  21          HD21      LEU  21  14.741  -1.627  -0.751
  161   2HD2  LEU  21          HD22      LEU  21  15.342  -1.801  -2.399
  162   3HD2  LEU  21          HD23      LEU  21  14.819  -3.224  -1.494
  163    H    GLU  22           HN       GLU  22  17.078  -2.067   3.865
  164    HA   GLU  22           HA       GLU  22  15.824  -4.337   5.101
  165   1HB   GLU  22          HB2       GLU  22  17.872  -3.777   6.117
  166   2HB   GLU  22          HB3       GLU  22  17.538  -2.055   6.053
  167   1HG   GLU  22          HG2       GLU  22  17.064  -2.221   8.212
  168   2HG   GLU  22          HG3       GLU  22  15.559  -2.981   7.705
  169    H    ASP  23           HN       ASP  23  13.643  -4.083   4.798
  170    HA   ASP  23           HA       ASP  23  12.152  -1.762   5.093
  171   1HB   ASP  23          HB2       ASP  23  10.672  -4.077   6.051
  172   2HB   ASP  23          HB3       ASP  23  10.382  -3.068   4.640
  173    H    ASN  24           HN       ASN  24  12.998  -0.660   6.847
  174    HA   ASN  24           HA       ASN  24  12.160  -1.634   9.489
  175   1HB   ASN  24          HB2       ASN  24  14.525  -0.849   9.165
  176   2HB   ASN  24          HB3       ASN  24  13.893   0.756   8.821
  177   1HD2  ASN  24          HD21      ASN  24  12.607  -1.452  11.228
  178   2HD2  ASN  24          HD22      ASN  24  13.041  -0.488  12.599
  179    H    ARG  25           HN       ARG  25   9.980  -1.185   8.387
  180    HA   ARG  25           HA       ARG  25   9.063   1.458   9.227
  181   1HB   ARG  25          HB2       ARG  25   9.639   1.068   6.617
  182   2HB   ARG  25          HB3       ARG  25   7.990   0.466   6.635
  183   1HG   ARG  25          HG2       ARG  25   7.097   2.522   7.027
  184   2HG   ARG  25          HG3       ARG  25   8.515   3.090   7.911
  185   1HD   ARG  25          HD2       ARG  25   8.924   2.479   5.054
  186   2HD   ARG  25          HD3       ARG  25   7.899   3.871   5.407
  187    HE   ARG  25           HE       ARG  25  10.744   3.598   5.971
  188   1HH1  ARG  25          HH12      ARG  25   7.811   5.485   6.305
  189   2HH1  ARG  25          HH11      ARG  25   8.646   6.936   6.768
  190   1HH2  ARG  25          HH22      ARG  25  11.854   5.497   6.569
  191   2HH2  ARG  25          HH21      ARG  25  10.947   6.941   6.923
  192    H    HIS  26           HN       HIS  26   6.508   0.646   7.687
  193    HA   HIS  26           HA       HIS  26   5.691  -1.686   9.269
  194   1HB   HIS  26          HB2       HIS  26   4.868   0.702  10.090
  195   2HB   HIS  26          HB3       HIS  26   3.726   0.482   8.769
  196    HD2  HIS  26           HD2      HIS  26   1.498   0.057  10.248
  197    HE1  HIS  26           HE1      HIS  26   2.977  -3.307  12.344
  198    HE2  HIS  26           HE2      HIS  26   0.990  -1.771  12.029
  199    H    PHE  27           HN       PHE  27   5.221  -3.172   7.814
  200    HA   PHE  27           HA       PHE  27   4.396  -2.384   5.151
  201   1HB   PHE  27          HB2       PHE  27   5.488  -4.840   6.373
  202   2HB   PHE  27          HB3       PHE  27   4.324  -5.100   5.074
  203    HD1  PHE  27           HD1      PHE  27   5.496  -5.703   3.181
  204    HD2  PHE  27           HD2      PHE  27   6.936  -2.493   5.571
  205    HE1  PHE  27           HE1      PHE  27   7.247  -5.254   1.516
  206    HE2  PHE  27           HE2      PHE  27   8.689  -2.039   3.909
  207    HZ   PHE  27           HZ       PHE  27   8.845  -3.419   1.878
  208    H    TYR  28           HN       TYR  28   2.394  -2.082   4.651
  209    HA   TYR  28           HA       TYR  28   0.329  -2.745   6.548
  210   1HB   TYR  28          HB2       TYR  28   0.476  -1.161   4.010
  211   2HB   TYR  28          HB3       TYR  28  -1.092  -1.618   4.668
  212    HD1  TYR  28           HD1      TYR  28   0.408   1.165   4.304
  213    HD2  TYR  28           HD2      TYR  28  -0.413  -1.387   7.602
  214    HE1  TYR  28           HE1      TYR  28   0.465   3.105   5.810
  215    HE2  TYR  28           HE2      TYR  28  -0.352   0.545   9.122
  216    HH   TYR  28           HH       TYR  28   0.101   2.725   9.323
  217    H    ARG  29           HN       ARG  29  -1.154  -4.276   6.420
  218    HA   ARG  29           HA       ARG  29  -1.034  -6.210   4.259
  219   1HB   ARG  29          HB2       ARG  29  -3.244  -6.491   6.166
  220   2HB   ARG  29          HB3       ARG  29  -2.007  -7.650   5.705
  221   1HG   ARG  29          HG2       ARG  29  -1.411  -5.384   7.568
  222   2HG   ARG  29          HG3       ARG  29  -2.106  -6.902   8.141
  223   1HD   ARG  29          HD2       ARG  29  -0.097  -7.905   6.720
  224   2HD   ARG  29          HD3       ARG  29   0.603  -6.326   7.070
  225    HE   ARG  29           HE       ARG  29  -0.177  -8.358   9.056
  226   1HH1  ARG  29          HH12      ARG  29   1.558  -5.423   8.212
  227   2HH1  ARG  29          HH11      ARG  29   2.360  -5.311   9.751
  228   1HH2  ARG  29          HH22      ARG  29   0.877  -8.197  11.072
  229   2HH2  ARG  29          HH21      ARG  29   1.931  -6.853  11.392
  230    H    ILE  30           HN       ILE  30  -2.689  -6.581   2.787
  231    HA   ILE  30           HA       ILE  30  -4.050  -4.288   1.897
  232    HB   ILE  30           HB       ILE  30  -4.849  -7.079   1.117
  233   1HG1  ILE  30          HG12      ILE  30  -2.840  -5.866  -0.599
  234   2HG1  ILE  30          HG13      ILE  30  -2.234  -6.131   1.035
  235   1HG2  ILE  30          HG21      ILE  30  -6.256  -5.453   0.144
  236   2HG2  ILE  30          HG22      ILE  30  -4.897  -4.398  -0.249
  237   3HG2  ILE  30          HG23      ILE  30  -5.114  -5.918  -1.117
  238   1HD1  ILE  30          HD11      ILE  30  -1.736  -8.046  -0.289
  239   2HD1  ILE  30          HD12      ILE  30  -2.995  -8.483   0.867
  240   3HD1  ILE  30          HD13      ILE  30  -3.414  -8.175  -0.818
  241    HA   PRO  31           HA       PRO  31  -7.604  -4.224   4.580
  242   1HB   PRO  31          HB2       PRO  31  -8.633  -2.730   2.199
  243   2HB   PRO  31          HB3       PRO  31  -8.677  -2.287   3.915
  244   1HG   PRO  31          HG2       PRO  31  -6.950  -1.121   2.302
  245   2HG   PRO  31          HG3       PRO  31  -6.429  -1.636   3.921
  246   1HD   PRO  31          HD2       PRO  31  -5.965  -2.943   1.268
  247   2HD   PRO  31          HD3       PRO  31  -4.843  -2.731   2.629
  248    H    LYS  32           HN       LYS  32  -9.614  -5.214   4.645
  249    HA   LYS  32           HA       LYS  32 -10.525  -6.535   2.181
  250   1HB   LYS  32          HB2       LYS  32  -9.976  -7.728   4.852
  251   2HB   LYS  32          HB3       LYS  32 -11.404  -8.301   4.000
  252   1HG   LYS  32          HG2       LYS  32 -10.014  -8.900   2.077
  253   2HG   LYS  32          HG3       LYS  32  -8.583  -8.340   2.945
  254   1HD   LYS  32          HD2       LYS  32  -8.558 -10.639   3.303
  255   2HD   LYS  32          HD3       LYS  32  -9.316 -10.016   4.770
  256   1HE   LYS  32          HE2       LYS  32 -11.537 -10.402   3.564
  257   2HE   LYS  32          HE3       LYS  32 -10.607 -11.367   2.419
  258   1HZ   LYS  32          HZ1       LYS  32 -10.112 -12.012   5.190
  259   2HZ   LYS  32          HZ2       LYS  32 -10.417 -13.036   3.870
  260   3HZ   LYS  32          HZ3       LYS  32 -11.708 -12.300   4.690
  261    H    ARG  33           HN       ARG  33 -11.099  -4.223   4.177
  262    HA   ARG  33           HA       ARG  33 -13.941  -4.169   3.764
  263   1HB   ARG  33          HB2       ARG  33 -14.172  -5.359   5.761
  264   2HB   ARG  33          HB3       ARG  33 -12.747  -4.624   6.480
  265   1HG   ARG  33          HG2       ARG  33 -14.374  -2.463   6.173
  266   2HG   ARG  33          HG3       ARG  33 -15.537  -3.749   6.508
  267   1HD   ARG  33          HD2       ARG  33 -14.638  -4.196   8.596
  268   2HD   ARG  33          HD3       ARG  33 -13.083  -3.472   8.193
  269    HE   ARG  33           HE       ARG  33 -13.936  -1.362   8.681
  270   1HH1  ARG  33          HH12      ARG  33 -16.457  -3.797   8.880
  271   2HH1  ARG  33          HH11      ARG  33 -17.566  -2.759   9.732
  272   1HH2  ARG  33          HH22      ARG  33 -15.385  -0.017   9.825
  273   2HH2  ARG  33          HH21      ARG  33 -16.952  -0.620  10.267
  274    HA   PRO  34           HA       PRO  34 -15.215  -2.908   3.129
  275   1HB   PRO  34          HB2       PRO  34 -15.029  -0.778   1.154
  276   2HB   PRO  34          HB3       PRO  34 -16.345  -1.143   2.271
  277   1HG   PRO  34          HG2       PRO  34 -14.784   1.064   2.499
  278   2HG   PRO  34          HG3       PRO  34 -15.535   0.261   3.890
  279   1HD   PRO  34          HD2       PRO  34 -12.717   0.084   2.891
  280   2HD   PRO  34          HD3       PRO  34 -13.317   0.192   4.561
  281    H    LEU  35           HN       LEU  35 -15.495  -3.927   1.081
  282    HA   LEU  35           HA       LEU  35 -13.161  -5.063   0.011
  283   1HB   LEU  35          HB2       LEU  35 -15.945  -5.427  -0.239
  284   2HB   LEU  35          HB3       LEU  35 -15.327  -5.200  -1.865
  285    HG   LEU  35           HG       LEU  35 -13.794  -7.084  -0.198
  286   1HD1  LEU  35          HD11      LEU  35 -16.329  -7.396   0.296
  287   2HD1  LEU  35          HD12      LEU  35 -16.364  -8.095  -1.324
  288   3HD1  LEU  35          HD13      LEU  35 -15.328  -8.799  -0.084
  289   1HD2  LEU  35          HD21      LEU  35 -14.057  -8.396  -2.373
  290   2HD2  LEU  35          HD22      LEU  35 -14.777  -6.925  -3.026
  291   3HD2  LEU  35          HD23      LEU  35 -13.119  -6.904  -2.428
  292    H    ILE  36           HN       ILE  36 -15.103  -2.315  -1.011
  293    HA   ILE  36           HA       ILE  36 -13.877  -1.988  -3.540
  294    HB   ILE  36           HB       ILE  36 -15.560  -0.245  -1.795
  295   1HG1  ILE  36          HG12      ILE  36 -16.850  -1.645  -3.133
  296   2HG1  ILE  36          HG13      ILE  36 -16.793  -0.169  -4.091
  297   1HG2  ILE  36          HG21      ILE  36 -14.995   1.069  -4.301
  298   2HG2  ILE  36          HG22      ILE  36 -14.926   1.706  -2.659
  299   3HG2  ILE  36          HG23      ILE  36 -13.525   0.884  -3.344
  300   1HD1  ILE  36          HD11      ILE  36 -15.188  -2.684  -4.514
  301   2HD1  ILE  36          HD12      ILE  36 -16.454  -2.021  -5.551
  302   3HD1  ILE  36          HD13      ILE  36 -14.916  -1.177  -5.390
  303    H    LEU  37           HN       LEU  37 -13.090  -0.723  -0.323
  304    HA   LEU  37           HA       LEU  37 -10.962   0.945  -1.142
  305   1HB   LEU  37          HB2       LEU  37 -11.607   1.327   1.049
  306   2HB   LEU  37          HB3       LEU  37 -11.713  -0.383   1.424
  307    HG   LEU  37           HG       LEU  37  -9.127  -0.345   1.130
  308   1HD1  LEU  37          HD11      LEU  37  -8.540   1.721   0.369
  309   2HD1  LEU  37          HD12      LEU  37  -9.824   2.538   1.262
  310   3HD1  LEU  37          HD13      LEU  37  -8.382   1.975   2.107
  311   1HD2  LEU  37          HD21      LEU  37 -10.554   0.855   3.497
  312   2HD2  LEU  37          HD22      LEU  37 -10.189  -0.850   3.221
  313   3HD2  LEU  37          HD23      LEU  37  -8.878   0.297   3.511
  314    H    ARG  38           HN       ARG  38 -11.111  -2.443  -0.196
  315    HA   ARG  38           HA       ARG  38  -8.430  -3.115  -0.493
  316   1HB   ARG  38          HB2       ARG  38  -9.740  -4.772   0.458
  317   2HB   ARG  38          HB3       ARG  38 -11.014  -4.606  -0.740
  318   1HG   ARG  38          HG2       ARG  38  -9.330  -5.583  -2.400
  319   2HG   ARG  38          HG3       ARG  38  -8.396  -6.047  -0.976
  320   1HD   ARG  38          HD2       ARG  38 -10.163  -7.413  -0.161
  321   2HD   ARG  38          HD3       ARG  38 -11.293  -6.771  -1.352
  322    HE   ARG  38           HE       ARG  38  -9.421  -7.871  -2.925
  323   1HH1  ARG  38          HH12      ARG  38 -11.205  -9.123  -0.171
  324   2HH1  ARG  38          HH11      ARG  38 -11.063 -10.778  -0.689
  325   1HH2  ARG  38          HH22      ARG  38  -9.225 -10.011  -3.582
  326   2HH2  ARG  38          HH21      ARG  38  -9.889 -11.294  -2.605
  327    H    GLN  39           HN       GLN  39 -11.044  -3.216  -2.905
  328    HA   GLN  39           HA       GLN  39  -9.499  -4.081  -5.081
  329   1HB   GLN  39          HB2       GLN  39 -12.169  -3.326  -4.568
  330   2HB   GLN  39          HB3       GLN  39 -11.619  -2.324  -5.899
  331   1HG   GLN  39          HG2       GLN  39 -11.651  -4.021  -7.335
  332   2HG   GLN  39          HG3       GLN  39 -10.884  -5.124  -6.189
  333   1HE2  GLN  39          HE21      GLN  39 -12.080  -6.726  -5.472
  334   2HE2  GLN  39          HE22      GLN  39 -13.812  -6.777  -5.465
  335    H    ARG  40           HN       ARG  40 -10.178  -0.870  -3.796
  336    HA   ARG  40           HA       ARG  40  -9.071   0.605  -5.942
  337   1HB   ARG  40          HB2       ARG  40  -9.732   1.222  -3.086
  338   2HB   ARG  40          HB3       ARG  40  -8.835   2.388  -4.048
  339   1HG   ARG  40          HG2       ARG  40 -11.291   1.304  -5.266
  340   2HG   ARG  40          HG3       ARG  40 -11.500   2.347  -3.860
  341   1HD   ARG  40          HD2       ARG  40 -10.832   4.188  -4.965
  342   2HD   ARG  40          HD3       ARG  40  -9.586   3.320  -5.861
  343    HE   ARG  40           HE       ARG  40 -12.051   2.492  -6.859
  344   1HH1  ARG  40          HH12      ARG  40 -10.202   5.474  -6.663
  345   2HH1  ARG  40          HH11      ARG  40 -10.841   6.108  -8.146
  346   1HH2  ARG  40          HH22      ARG  40 -12.879   3.341  -8.821
  347   2HH2  ARG  40          HH21      ARG  40 -12.355   4.917  -9.353
  348    H    TRP  41           HN       TRP  41  -7.698  -1.007  -3.193
  349    HA   TRP  41           HA       TRP  41  -5.140   0.181  -3.202
  350   1HB   TRP  41          HB2       TRP  41  -6.388  -2.284  -2.134
  351   2HB   TRP  41          HB3       TRP  41  -4.651  -2.377  -2.395
  352    HD1  TRP  41           HD1      TRP  41  -6.924   0.373  -0.842
  353    HE1  TRP  41           HE1      TRP  41  -5.823   1.116   1.366
  354    HE3  TRP  41           HE3      TRP  41  -2.885  -2.751  -0.882
  355    HZ2  TRP  41           HZ2      TRP  41  -3.539   0.448   2.879
  356    HZ3  TRP  41           HZ3      TRP  41  -1.286  -2.635   0.983
  357    HH2  TRP  41           HH2      TRP  41  -1.614  -1.064   2.812
  358    H    LEU  42           HN       LEU  42  -6.293  -2.854  -4.652
  359    HA   LEU  42           HA       LEU  42  -4.198  -3.469  -6.291
  360   1HB   LEU  42          HB2       LEU  42  -7.157  -3.852  -6.590
  361   2HB   LEU  42          HB3       LEU  42  -6.005  -4.537  -7.725
  362    HG   LEU  42           HG       LEU  42  -4.987  -5.343  -5.323
  363   1HD1  LEU  42          HD11      LEU  42  -6.496  -5.669  -3.752
  364   2HD1  LEU  42          HD12      LEU  42  -7.469  -4.485  -4.625
  365   3HD1  LEU  42          HD13      LEU  42  -7.717  -6.208  -4.905
  366   1HD2  LEU  42          HD21      LEU  42  -7.054  -6.976  -6.723
  367   2HD2  LEU  42          HD22      LEU  42  -5.547  -6.557  -7.541
  368   3HD2  LEU  42          HD23      LEU  42  -5.507  -7.485  -6.040
  369    H    THR  43           HN       THR  43  -6.527  -0.912  -6.716
  370    HA   THR  43           HA       THR  43  -6.376  -0.521  -9.477
  371    HB   THR  43           HB       THR  43  -6.837   1.471  -7.249
  372    HG1  THR  43           HG1      THR  43  -8.354  -0.433  -8.491
  373   1HG2  THR  43          HG21      THR  43  -6.347   2.011  -9.994
  374   2HG2  THR  43          HG22      THR  43  -6.860   3.136  -8.732
  375   3HG2  THR  43          HG23      THR  43  -8.066   2.276  -9.695
  376    H    ALA  44           HN       ALA  44  -4.220   0.541  -6.894
  377    HA   ALA  44           HA       ALA  44  -2.706   2.255  -8.662
  378   1HB   ALA  44          HB1       ALA  44  -1.180   2.314  -6.552
  379   2HB   ALA  44          HB2       ALA  44  -2.745   3.131  -6.537
  380   3HB   ALA  44          HB3       ALA  44  -2.566   1.554  -5.767
  381    H    ILE  45           HN       ILE  45  -2.259  -0.882  -7.095
  382    HA   ILE  45           HA       ILE  45   0.420  -1.170  -8.105
  383    HB   ILE  45           HB       ILE  45  -0.370  -3.714  -7.362
  384   1HG1  ILE  45          HG12      ILE  45  -1.463  -1.849  -5.272
  385   2HG1  ILE  45          HG13      ILE  45  -2.497  -2.519  -6.524
  386   1HG2  ILE  45          HG21      ILE  45   0.680  -2.510  -5.079
  387   2HG2  ILE  45          HG22      ILE  45   1.563  -3.355  -6.350
  388   3HG2  ILE  45          HG23      ILE  45   1.348  -1.607  -6.440
  389   1HD1  ILE  45          HD11      ILE  45  -2.053  -4.751  -5.771
  390   2HD1  ILE  45          HD12      ILE  45  -0.866  -4.160  -4.608
  391   3HD1  ILE  45          HD13      ILE  45  -2.572  -3.769  -4.403
  392    H    GLY  46           HN       GLY  46  -2.721  -1.848  -9.284
  393   1HA   GLY  46          HA1       GLY  46  -3.439  -2.760 -11.265
  394   2HA   GLY  46          HA2       GLY  46  -1.767  -2.738 -11.806
  395    H    ARG  47           HN       ARG  47  -3.016  -4.389  -8.972
  396    HA   ARG  47           HA       ARG  47  -1.912  -6.875 -10.050
  397   1HB   ARG  47          HB2       ARG  47  -1.588  -5.651  -7.595
  398   2HB   ARG  47          HB3       ARG  47  -2.771  -6.909  -7.253
  399   1HG   ARG  47          HG2       ARG  47  -1.088  -8.343  -7.094
  400   2HG   ARG  47          HG3       ARG  47  -0.816  -8.134  -8.827
  401   1HD   ARG  47          HD2       ARG  47   0.372  -6.329  -6.730
  402   2HD   ARG  47          HD3       ARG  47   1.190  -7.761  -7.344
  403    HE   ARG  47           HE       ARG  47   0.327  -5.820  -9.332
  404   1HH1  ARG  47          HH12      ARG  47   2.952  -7.079  -7.383
  405   2HH1  ARG  47          HH11      ARG  47   4.197  -6.394  -8.381
  406   1HH2  ARG  47          HH22      ARG  47   1.973  -4.941 -10.672
  407   2HH2  ARG  47          HH21      ARG  47   3.643  -5.191 -10.248
  408    H    THR  48           HN       THR  48  -3.048  -8.891  -9.286
  409    HA   THR  48           HA       THR  48  -5.943  -8.605  -9.645
  410    HB   THR  48           HB       THR  48  -5.164 -11.335  -9.727
  411    HG1  THR  48           HG1      THR  48  -3.648  -9.829 -11.609
  412   1HG2  THR  48          HG21      THR  48  -6.281  -9.295 -11.578
  413   2HG2  THR  48          HG22      THR  48  -6.943 -10.852 -11.078
  414   3HG2  THR  48          HG23      THR  48  -5.659 -10.786 -12.286
  415    H    GLU  49           HN       GLU  49  -7.187 -10.434  -8.418
  416    HA   GLU  49           HA       GLU  49  -6.926  -9.636  -5.721
  417   1HB   GLU  49          HB2       GLU  49  -8.687 -11.750  -6.964
  418   2HB   GLU  49          HB3       GLU  49  -8.838 -11.161  -5.314
  419   1HG   GLU  49          HG2       GLU  49  -8.947  -9.251  -7.610
  420   2HG   GLU  49          HG3       GLU  49 -10.368 -10.190  -7.159
  421    H    GLU  50           HN       GLU  50  -6.472 -12.862  -7.227
  422    HA   GLU  50           HA       GLU  50  -5.632 -13.961  -4.697
  423   1HB   GLU  50          HB2       GLU  50  -6.538 -15.008  -7.139
  424   2HB   GLU  50          HB3       GLU  50  -4.894 -15.600  -6.947
  425   1HG   GLU  50          HG2       GLU  50  -5.742 -17.198  -5.668
  426   2HG   GLU  50          HG3       GLU  50  -6.023 -15.953  -4.451
  427    H    THR  51           HN       THR  51  -4.165 -12.186  -7.120
  428    HA   THR  51           HA       THR  51  -1.500 -13.251  -6.688
  429    HB   THR  51           HB       THR  51  -1.828 -10.749  -8.218
  430    HG1  THR  51           HG1      THR  51  -2.986 -11.675  -9.867
  431   1HG2  THR  51          HG21      THR  51  -0.686 -12.624  -9.846
  432   2HG2  THR  51          HG22      THR  51  -0.213 -13.196  -8.248
  433   3HG2  THR  51          HG23      THR  51   0.202 -11.560  -8.757
  434    H    VAL  52           HN       VAL  52  -3.550 -10.770  -5.479
  435    HA   VAL  52           HA       VAL  52  -1.327  -9.225  -4.425
  436    HB   VAL  52           HB       VAL  52  -3.438  -8.161  -5.401
  437   1HG1  VAL  52          HG11      VAL  52  -5.420  -8.124  -4.280
  438   2HG1  VAL  52          HG12      VAL  52  -4.861  -9.738  -3.841
  439   3HG1  VAL  52          HG13      VAL  52  -4.667  -8.401  -2.710
  440   1HG2  VAL  52          HG21      VAL  52  -1.836  -7.400  -3.125
  441   2HG2  VAL  52          HG22      VAL  52  -2.423  -6.421  -4.469
  442   3HG2  VAL  52          HG23      VAL  52  -3.443  -6.675  -3.054
  443    H    VAL  53           HN       VAL  53  -3.716 -11.497  -3.355
  444    HA   VAL  53           HA       VAL  53  -3.256 -10.843  -0.569
  445    HB   VAL  53           HB       VAL  53  -4.964 -12.539  -0.052
  446   1HG1  VAL  53          HG11      VAL  53  -6.818 -11.299  -0.783
  447   2HG1  VAL  53          HG12      VAL  53  -5.494 -10.140  -0.678
  448   3HG1  VAL  53          HG13      VAL  53  -5.992 -10.768  -2.248
  449   1HG2  VAL  53          HG21      VAL  53  -4.419 -13.361  -2.757
  450   2HG2  VAL  53          HG22      VAL  53  -5.302 -14.203  -1.484
  451   3HG2  VAL  53          HG23      VAL  53  -6.141 -13.056  -2.527
  452    H    SER  54           HN       SER  54  -1.211 -12.257  -2.376
  453    HA   SER  54           HA       SER  54  -0.924 -14.753  -0.884
  454   1HB   SER  54          HB2       SER  54   1.110 -14.229  -2.902
  455   2HB   SER  54          HB3       SER  54   0.015 -15.601  -2.736
  456    HG   SER  54           HG       SER  54  -1.609 -14.337  -3.726
  457    H    GLN  55           HN       GLN  55   1.664 -12.671  -2.160
  458    HA   GLN  55           HA       GLN  55   2.857 -12.701   0.545
  459   1HB   GLN  55          HB2       GLN  55   3.919 -13.489  -2.041
  460   2HB   GLN  55          HB3       GLN  55   4.917 -12.255  -1.286
  461   1HG   GLN  55          HG2       GLN  55   4.071 -14.750   0.153
  462   2HG   GLN  55          HG3       GLN  55   5.532 -14.661  -0.828
  463   1HE2  GLN  55          HE21      GLN  55   6.792 -12.493  -0.277
  464   2HE2  GLN  55          HE22      GLN  55   7.090 -12.279   1.412
  465    H    LEU  56           HN       LEU  56   1.178 -10.713  -1.176
  466    HA   LEU  56           HA       LEU  56   3.047  -8.542  -1.576
  467   1HB   LEU  56          HB2       LEU  56   0.593  -9.323  -2.706
  468   2HB   LEU  56          HB3       LEU  56   0.314  -7.769  -1.946
  469    HG   LEU  56           HG       LEU  56   2.662  -7.332  -3.291
  470   1HD1  LEU  56          HD11      LEU  56   2.920  -8.964  -4.788
  471   2HD1  LEU  56          HD12      LEU  56   1.287  -9.578  -4.532
  472   3HD1  LEU  56          HD13      LEU  56   1.557  -8.230  -5.635
  473   1HD2  LEU  56          HD21      LEU  56  -0.084  -6.913  -4.449
  474   2HD2  LEU  56          HD22      LEU  56   0.574  -5.944  -3.130
  475   3HD2  LEU  56          HD23      LEU  56   1.362  -5.938  -4.709
  476    H    ARG  57           HN       ARG  57   3.625  -7.341   0.076
  477    HA   ARG  57           HA       ARG  57   1.471  -6.189   1.717
  478   1HB   ARG  57          HB2       ARG  57   4.001  -7.429   2.583
  479   2HB   ARG  57          HB3       ARG  57   3.737  -5.821   3.240
  480   1HG   ARG  57          HG2       ARG  57   2.852  -7.338   4.813
  481   2HG   ARG  57          HG3       ARG  57   1.472  -6.606   3.996
  482   1HD   ARG  57          HD2       ARG  57   1.034  -8.935   4.195
  483   2HD   ARG  57          HD3       ARG  57   1.401  -8.610   2.503
  484    HE   ARG  57           HE       ARG  57   3.795  -9.334   3.592
  485   1HH1  ARG  57          HH12      ARG  57   0.636 -10.830   3.328
  486   2HH1  ARG  57          HH11      ARG  57   1.267 -12.448   3.420
  487   1HH2  ARG  57          HH22      ARG  57   4.615 -11.473   3.676
  488   2HH2  ARG  57          HH21      ARG  57   3.511 -12.812   3.606
  489    H    ILE  58           HN       ILE  58   1.647  -3.932   2.078
  490    HA   ILE  58           HA       ILE  58   3.417  -2.663   0.096
  491    HB   ILE  58           HB       ILE  58   0.737  -1.680   1.085
  492   1HG1  ILE  58          HG12      ILE  58   0.510  -3.667  -0.326
  493   2HG1  ILE  58          HG13      ILE  58  -0.073  -2.239  -1.173
  494   1HG2  ILE  58          HG21      ILE  58   0.902   0.102  -0.430
  495   2HG2  ILE  58          HG22      ILE  58   2.469   0.042   0.375
  496   3HG2  ILE  58          HG23      ILE  58   2.289  -0.610  -1.255
  497   1HD1  ILE  58          HD11      ILE  58   2.396  -2.235  -2.111
  498   2HD1  ILE  58          HD12      ILE  58   2.279  -3.952  -1.727
  499   3HD1  ILE  58          HD13      ILE  58   1.123  -3.216  -2.837
  500    H    CYS  59           HN       CYS  59   4.682  -0.997   0.660
  501    HA   CYS  59           HA       CYS  59   5.319  -0.568   3.371
  502   1HB   CYS  59          HB2       CYS  59   6.062   1.297   1.141
  503   2HB   CYS  59          HB3       CYS  59   6.993   0.878   2.577
  504    H    SER  60           HN       SER  60   5.093   1.258   4.664
  505    HA   SER  60           HA       SER  60   2.619   2.666   4.420
  506   1HB   SER  60          HB2       SER  60   4.174   3.891   6.420
  507   2HB   SER  60          HB3       SER  60   2.941   2.651   6.645
  508    HG   SER  60           HG       SER  60   4.481   1.089   6.603
  509    H    ALA  61           HN       ALA  61   5.657   3.136   3.120
  510    HA   ALA  61           HA       ALA  61   5.695   6.018   3.184
  511   1HB   ALA  61          HB1       ALA  61   7.446   4.947   1.191
  512   2HB   ALA  61          HB2       ALA  61   7.846   5.726   2.722
  513   3HB   ALA  61          HB3       ALA  61   7.573   3.984   2.663
  514    H    HIS  62           HN       HIS  62   3.916   3.811   1.495
  515    HA   HIS  62           HA       HIS  62   3.855   5.320  -1.003
  516   1HB   HIS  62          HB2       HIS  62   2.472   2.763  -0.157
  517   2HB   HIS  62          HB3       HIS  62   2.261   3.520  -1.732
  518    HD1  HIS  62           HD1      HIS  62   4.544   3.652  -3.239
  519    HD2  HIS  62           HD2      HIS  62   4.590   1.089   0.051
  520    HE1  HIS  62           HE1      HIS  62   6.529   2.094  -3.560
  521    H    PHE  63           HN       PHE  63   2.780   6.125   1.757
  522    HA   PHE  63           HA       PHE  63   0.100   6.924   0.833
  523   1HB   PHE  63          HB2       PHE  63   0.924   6.141   3.643
  524   2HB   PHE  63          HB3       PHE  63  -0.631   6.842   3.213
  525    HD1  PHE  63           HD1      PHE  63   1.541   3.892   2.721
  526    HD2  PHE  63           HD2      PHE  63  -2.387   5.503   2.436
  527    HE1  PHE  63           HE1      PHE  63   0.652   1.640   2.305
  528    HE2  PHE  63           HE2      PHE  63  -3.283   3.250   2.020
  529    HZ   PHE  63           HZ       PHE  63  -1.762   1.318   1.953
  530    H    GLU  64           HN       GLU  64  -0.621   8.979   1.622
  531    HA   GLU  64           HA       GLU  64   1.310  10.991   1.969
  532   1HB   GLU  64          HB2       GLU  64  -1.596  10.792   1.997
  533   2HB   GLU  64          HB3       GLU  64  -1.012  11.941   3.193
  534   1HG   GLU  64          HG2       GLU  64   0.032  12.056   0.402
  535   2HG   GLU  64          HG3       GLU  64  -1.557  12.719   0.774
  536    H    GLY  65           HN       GLY  65   2.712  10.964   3.601
  537   1HA   GLY  65          HA1       GLY  65   3.428  11.142   5.810
  538   2HA   GLY  65          HA2       GLY  65   1.767  10.906   6.343
  539    H    GLY  66           HN       GLY  66   0.936   8.616   5.661
  540   1HA   GLY  66          HA1       GLY  66   1.914   6.301   5.294
  541   2HA   GLY  66          HA2       GLY  66   2.958   6.707   6.650
  542    H    GLU  67           HN       GLU  67  -0.477   6.527   5.768
  543    HA   GLU  67           HA       GLU  67  -1.037   5.241   8.320
  544   1HB   GLU  67          HB2       GLU  67  -3.070   6.888   8.480
  545   2HB   GLU  67          HB3       GLU  67  -1.495   7.374   9.093
  546   1HG   GLU  67          HG2       GLU  67  -1.059   8.654   7.105
  547   2HG   GLU  67          HG3       GLU  67  -2.547   8.071   6.360
  548    H    LYS  68           HN       LYS  68  -2.058   3.446   7.720
  549    HA   LYS  68           HA       LYS  68  -4.019   3.576   5.536
  550   1HB   LYS  68          HB2       LYS  68  -2.414   1.804   5.254
  551   2HB   LYS  68          HB3       LYS  68  -2.691   1.222   6.889
  552   1HG   LYS  68          HG2       LYS  68  -5.081   0.770   6.167
  553   2HG   LYS  68          HG3       LYS  68  -4.519   1.045   4.516
  554   1HD   LYS  68          HD2       LYS  68  -4.219  -1.213   4.634
  555   2HD   LYS  68          HD3       LYS  68  -2.656  -0.685   5.258
  556   1HE   LYS  68          HE2       LYS  68  -3.090  -1.989   7.016
  557   2HE   LYS  68          HE3       LYS  68  -4.229  -0.736   7.509
  558   1HZ   LYS  68          HZ1       LYS  68  -4.924  -3.062   5.804
  559   2HZ   LYS  68          HZ2       LYS  68  -6.000  -1.906   6.428
  560   3HZ   LYS  68          HZ3       LYS  68  -5.203  -2.980   7.475
  561    H    LYS  69           HN       LYS  69  -5.871   4.363   6.413
  562    HA   LYS  69           HA       LYS  69  -6.905   3.067   8.832
  563   1HB   LYS  69          HB2       LYS  69  -7.848   5.486   7.275
  564   2HB   LYS  69          HB3       LYS  69  -8.709   4.811   8.652
  565   1HG   LYS  69          HG2       LYS  69  -7.533   6.258   9.868
  566   2HG   LYS  69          HG3       LYS  69  -6.188   5.135   9.657
  567   1HD   LYS  69          HD2       LYS  69  -5.373   7.283   9.066
  568   2HD   LYS  69          HD3       LYS  69  -5.612   6.404   7.553
  569   1HE   LYS  69          HE2       LYS  69  -7.928   7.524   7.512
  570   2HE   LYS  69          HE3       LYS  69  -7.267   8.614   8.732
  571   1HZ   LYS  69          HZ1       LYS  69  -6.318   8.221   5.945
  572   2HZ   LYS  69          HZ2       LYS  69  -5.419   9.062   7.120
  573   3HZ   LYS  69          HZ3       LYS  69  -6.943   9.637   6.648
  574    H    GLU  70           HN       GLU  70  -9.419   4.233   6.974
  575    HA   GLU  70           HA       GLU  70  -9.815   1.642   5.645
  576   1HB   GLU  70          HB2       GLU  70 -11.287   2.548   7.810
  577   2HB   GLU  70          HB3       GLU  70 -12.295   2.964   6.429
  578   1HG   GLU  70          HG2       GLU  70 -12.987   0.875   6.290
  579   2HG   GLU  70          HG3       GLU  70 -11.329   0.328   6.044
  580    H    GLY  71           HN       GLY  71  -8.958   4.494   4.876
  581   1HA   GLY  71          HA1       GLY  71 -10.549   4.560   2.435
  582   2HA   GLY  71          HA2       GLY  71 -10.635   5.992   3.452
  583    H    ASP  72           HN       ASP  72  -7.774   4.007   3.052
  584    HA   ASP  72           HA       ASP  72  -6.513   6.210   1.565
  585   1HB   ASP  72          HB2       ASP  72  -5.018   4.623   3.648
  586   2HB   ASP  72          HB3       ASP  72  -4.575   6.159   2.916
  587    H    ILE  73           HN       ILE  73  -5.664   5.561  -0.266
  588    HA   ILE  73           HA       ILE  73  -4.990   2.723  -0.629
  589    HB   ILE  73           HB       ILE  73  -5.713   4.896  -2.595
  590   1HG1  ILE  73          HG12      ILE  73  -7.205   2.538  -2.979
  591   2HG1  ILE  73          HG13      ILE  73  -7.139   2.802  -1.239
  592   1HG2  ILE  73          HG21      ILE  73  -4.605   3.880  -4.222
  593   2HG2  ILE  73          HG22      ILE  73  -3.995   2.681  -3.080
  594   3HG2  ILE  73          HG23      ILE  73  -5.523   2.402  -3.922
  595   1HD1  ILE  73          HD11      ILE  73  -7.699   5.247  -2.665
  596   2HD1  ILE  73          HD12      ILE  73  -8.873   3.982  -3.032
  597   3HD1  ILE  73          HD13      ILE  73  -8.591   4.465  -1.359
  598    HA   PRO  74           HA       PRO  74  -0.705   3.887  -0.823
  599   1HB   PRO  74          HB2       PRO  74   0.312   1.697  -2.022
  600   2HB   PRO  74          HB3       PRO  74  -0.272   1.669  -0.353
  601   1HG   PRO  74          HG2       PRO  74  -1.643   0.759  -2.855
  602   2HG   PRO  74          HG3       PRO  74  -1.569  -0.032  -1.268
  603   1HD   PRO  74          HD2       PRO  74  -3.705   1.427  -2.113
  604   2HD   PRO  74          HD3       PRO  74  -3.253   1.272  -0.408
  605    H    VAL  75           HN       VAL  75  -0.044   5.422  -2.215
  606    HA   VAL  75           HA       VAL  75  -0.556   5.051  -5.075
  607    HB   VAL  75           HB       VAL  75   0.378   7.497  -5.131
  608   1HG1  VAL  75          HG11      VAL  75  -1.826   8.313  -5.040
  609   2HG1  VAL  75          HG12      VAL  75  -1.983   6.625  -5.523
  610   3HG1  VAL  75          HG13      VAL  75  -2.318   7.102  -3.859
  611   1HG2  VAL  75          HG21      VAL  75   0.640   6.998  -2.411
  612   2HG2  VAL  75          HG22      VAL  75   0.726   8.570  -3.208
  613   3HG2  VAL  75          HG23      VAL  75  -0.802   8.007  -2.534
  614    HA   PRO  76           HA       PRO  76   3.545   4.078  -6.200
  615   1HB   PRO  76          HB2       PRO  76   4.071   5.920  -8.203
  616   2HB   PRO  76          HB3       PRO  76   3.203   4.393  -8.421
  617   1HG   PRO  76          HG2       PRO  76   2.142   7.160  -8.114
  618   2HG   PRO  76          HG3       PRO  76   1.542   5.830  -9.117
  619   1HD   PRO  76          HD2       PRO  76   0.354   6.546  -6.801
  620   2HD   PRO  76          HD3       PRO  76   0.401   4.858  -7.366
  621    H    ASP  77           HN       ASP  77   3.007   7.548  -6.073
  622    HA   ASP  77           HA       ASP  77   5.209   7.916  -4.242
  623   1HB   ASP  77          HB2       ASP  77   6.169   8.063  -6.609
  624   2HB   ASP  77          HB3       ASP  77   5.170   9.495  -6.820
  625    HA   PRO  78           HA       PRO  78   1.613  10.433  -3.074
  626   1HB   PRO  78          HB2       PRO  78   2.624  11.044  -0.588
  627   2HB   PRO  78          HB3       PRO  78   1.689   9.593  -0.963
  628   1HG   PRO  78          HG2       PRO  78   4.652   9.935  -0.754
  629   2HG   PRO  78          HG3       PRO  78   3.632   8.609  -0.167
  630   1HD   PRO  78          HD2       PRO  78   5.072   8.378  -2.417
  631   2HD   PRO  78          HD3       PRO  78   3.462   7.644  -2.271
  632    H    THR  79           HN       THR  79   4.871  11.294  -3.550
  633    HA   THR  79           HA       THR  79   4.305  14.125  -3.061
  634    HB   THR  79           HB       THR  79   6.943  13.922  -3.943
  635    HG1  THR  79           HG1      THR  79   6.675  11.581  -3.542
  636   1HG2  THR  79          HG21      THR  79   5.836  15.272  -2.078
  637   2HG2  THR  79          HG22      THR  79   7.479  14.700  -1.791
  638   3HG2  THR  79          HG23      THR  79   6.112  13.861  -1.059
  639    H    VAL  80           HN       VAL  80   4.356  11.857  -5.577
  640    HA   VAL  80           HA       VAL  80   4.738  13.997  -7.572
  641    HB   VAL  80           HB       VAL  80   5.380  11.054  -7.759
  642   1HG1  VAL  80          HG11      VAL  80   4.237  12.054  -9.818
  643   2HG1  VAL  80          HG12      VAL  80   5.713  12.999 -10.016
  644   3HG1  VAL  80          HG13      VAL  80   5.782  11.236 -10.053
  645   1HG2  VAL  80          HG21      VAL  80   7.452  12.769  -8.679
  646   2HG2  VAL  80          HG22      VAL  80   6.898  13.361  -7.112
  647   3HG2  VAL  80          HG23      VAL  80   7.452  11.695  -7.279
  648    H    ASP  81           HN       ASP  81   2.993  10.980  -6.906
  649    HA   ASP  81           HA       ASP  81   1.110  11.549  -9.054
  650   1HB   ASP  81          HB2       ASP  81   2.179   9.209  -8.271
  651   2HB   ASP  81          HB3       ASP  81   0.721   9.193  -7.280
  652    H    LYS  82           HN       LYS  82  -1.245  10.808  -8.394
  653    HA   LYS  82           HA       LYS  82  -2.003  12.720  -6.321
  654   1HB   LYS  82          HB2       LYS  82  -4.035  11.332  -8.002
  655   2HB   LYS  82          HB3       LYS  82  -4.011  12.987  -7.410
  656   1HG   LYS  82          HG2       LYS  82  -2.845  13.755  -9.192
  657   2HG   LYS  82          HG3       LYS  82  -1.941  12.255  -9.390
  658   1HD   LYS  82          HD2       LYS  82  -4.796  12.776 -10.206
  659   2HD   LYS  82          HD3       LYS  82  -3.410  12.549 -11.273
  660   1HE   LYS  82          HE2       LYS  82  -4.293  10.440  -9.324
  661   2HE   LYS  82          HE3       LYS  82  -4.979  10.564 -10.944
  662   1HZ   LYS  82          HZ1       LYS  82  -2.333   9.682 -10.108
  663   2HZ   LYS  82          HZ2       LYS  82  -2.396  10.612 -11.528
  664   3HZ   LYS  82          HZ3       LYS  82  -3.289   9.174 -11.414
  665    H    GLN  83           HN       GLN  83  -1.822  11.728  -4.423
  666    HA   GLN  83           HA       GLN  83  -2.278   9.216  -3.560
  667   1HB   GLN  83          HB2       GLN  83  -1.528  10.770  -1.969
  668   2HB   GLN  83          HB3       GLN  83  -2.866  11.866  -2.268
  669   1HG   GLN  83          HG2       GLN  83  -3.274  10.921  -0.161
  670   2HG   GLN  83          HG3       GLN  83  -4.368  10.094  -1.269
  671   1HE2  GLN  83          HE21      GLN  83  -4.351   7.957  -1.291
  672   2HE2  GLN  83          HE22      GLN  83  -3.143   6.945  -0.574
  673    H    ILE  84           HN       ILE  84  -3.875   7.852  -3.974
  674    HA   ILE  84           HA       ILE  84  -6.553   8.755  -4.469
  675    HB   ILE  84           HB       ILE  84  -5.734   5.877  -4.104
  676   1HG1  ILE  84          HG12      ILE  84  -5.916   6.731  -6.873
  677   2HG1  ILE  84          HG13      ILE  84  -4.640   7.600  -6.020
  678   1HG2  ILE  84          HG21      ILE  84  -7.726   5.326  -5.027
  679   2HG2  ILE  84          HG22      ILE  84  -8.186   6.901  -4.381
  680   3HG2  ILE  84          HG23      ILE  84  -7.752   6.738  -6.083
  681   1HD1  ILE  84          HD11      ILE  84  -3.345   5.851  -6.422
  682   2HD1  ILE  84          HD12      ILE  84  -4.320   4.947  -5.263
  683   3HD1  ILE  84          HD13      ILE  84  -4.712   4.886  -6.980
  684    H    LYS  85           HN       LYS  85  -7.904   9.247  -2.847
  685    HA   LYS  85           HA       LYS  85  -7.813   7.574  -0.427
  686   1HB   LYS  85          HB2       LYS  85  -7.921   9.420   1.031
  687   2HB   LYS  85          HB3       LYS  85  -6.686   9.851  -0.141
  688   1HG   LYS  85          HG2       LYS  85  -9.186  10.788  -1.106
  689   2HG   LYS  85          HG3       LYS  85  -9.016  11.283   0.579
  690   1HD   LYS  85          HD2       LYS  85  -6.868  12.295   0.093
  691   2HD   LYS  85          HD3       LYS  85  -6.953  11.727  -1.576
  692   1HE   LYS  85          HE2       LYS  85  -8.410  13.337  -2.191
  693   2HE   LYS  85          HE3       LYS  85  -9.249  13.321  -0.642
  694   1HZ   LYS  85          HZ1       LYS  85  -8.114  15.096  -0.016
  695   2HZ   LYS  85          HZ2       LYS  85  -7.394  15.170  -1.551
  696   3HZ   LYS  85          HZ3       LYS  85  -6.630  14.319  -0.296
  697    H    ILE  86           HN       ILE  86  -9.805   7.480   0.761
  698    HA   ILE  86           HA       ILE  86 -12.180   8.406  -0.707
  699    HB   ILE  86           HB       ILE  86 -12.624   5.819   0.557
  700   1HG1  ILE  86          HG12      ILE  86 -11.246   5.338  -1.978
  701   2HG1  ILE  86          HG13      ILE  86 -10.183   5.933  -0.709
  702   1HG2  ILE  86          HG21      ILE  86 -14.072   5.510  -1.172
  703   2HG2  ILE  86          HG22      ILE  86 -13.962   7.268  -1.187
  704   3HG2  ILE  86          HG23      ILE  86 -13.029   6.317  -2.342
  705   1HD1  ILE  86          HD11      ILE  86 -11.748   3.964   0.496
  706   2HD1  ILE  86          HD12      ILE  86 -11.286   3.318  -1.079
  707   3HD1  ILE  86          HD13      ILE  86 -10.043   3.866   0.048
  708    H    GLU  87           HN       GLU  87 -14.063   8.616   0.606
  709    HA   GLU  87           HA       GLU  87 -13.431   8.928   3.453
  710   1HB   GLU  87          HB2       GLU  87 -15.920  10.065   3.093
  711   2HB   GLU  87          HB3       GLU  87 -14.391  10.933   3.131
  712   1HG   GLU  87          HG2       GLU  87 -14.274  10.585   0.636
  713   2HG   GLU  87          HG3       GLU  87 -15.942  10.020   0.731
  714    H    LEU  88           HN       LEU  88 -13.932   7.192   4.586
  715    HA   LEU  88           HA       LEU  88 -16.051   5.408   3.790
  716   1HB   LEU  88          HB2       LEU  88 -14.201   4.285   4.676
  717   2HB   LEU  88          HB3       LEU  88 -14.012   5.431   5.987
  718    HG   LEU  88           HG       LEU  88 -16.530   4.263   6.409
  719   1HD1  LEU  88          HD11      LEU  88 -14.479   2.241   5.536
  720   2HD1  LEU  88          HD12      LEU  88 -15.873   1.846   6.540
  721   3HD1  LEU  88          HD13      LEU  88 -16.111   2.473   4.910
  722   1HD2  LEU  88          HD21      LEU  88 -13.894   3.572   7.705
  723   2HD2  LEU  88          HD22      LEU  88 -14.864   4.995   8.088
  724   3HD2  LEU  88          HD23      LEU  88 -15.503   3.382   8.402
  725    HA   PRO  89           HA       PRO  89 -19.104   7.628   6.226
  726   1HB   PRO  89          HB2       PRO  89 -20.779   5.302   5.540
  727   2HB   PRO  89          HB3       PRO  89 -21.042   7.013   5.191
  728   1HG   PRO  89          HG2       PRO  89 -20.389   5.265   3.261
  729   2HG   PRO  89          HG3       PRO  89 -19.815   6.942   3.241
  730   1HD   PRO  89          HD2       PRO  89 -18.360   4.451   4.048
  731   2HD   PRO  89          HD3       PRO  89 -17.777   5.843   3.110
  732    HA   PRO  90           HA       PRO  90 -18.484   5.679  10.137
  733   1HB   PRO  90          HB2       PRO  90 -21.271   6.606  10.663
  734   2HB   PRO  90          HB3       PRO  90 -19.806   6.833  11.627
  735   1HG   PRO  90          HG2       PRO  90 -20.797   8.824  10.164
  736   2HG   PRO  90          HG3       PRO  90 -19.048   8.575  10.307
  737   1HD   PRO  90          HD2       PRO  90 -20.866   7.991   8.021
  738   2HD   PRO  90          HD3       PRO  90 -19.164   8.496   8.014
  739    H    LYS  91           HN       LYS  91 -21.859   5.345   9.022
  740    HA   LYS  91           HA       LYS  91 -21.617   2.450   9.135
  741   1HB   LYS  91          HB2       LYS  91 -24.099   3.556  10.375
  742   2HB   LYS  91          HB3       LYS  91 -23.281   2.033  10.682
  743   1HG   LYS  91          HG2       LYS  91 -21.611   4.187  11.542
  744   2HG   LYS  91          HG3       LYS  91 -23.226   4.382  12.228
  745   1HD   LYS  91          HD2       LYS  91 -22.286   3.024  13.809
  746   2HD   LYS  91          HD3       LYS  91 -22.949   1.803  12.721
  747   1HE   LYS  91          HE2       LYS  91 -20.759   1.084  13.166
  748   2HE   LYS  91          HE3       LYS  91 -20.674   1.831  11.572
  749   1HZ   LYS  91          HZ1       LYS  91 -19.100   3.174  12.339
  750   2HZ   LYS  91          HZ2       LYS  91 -19.214   2.478  13.880
  751   3HZ   LYS  91          HZ3       LYS  91 -20.178   3.816  13.484
  Start of MODEL   14
    1   1H    GLY   1          H1        GLY   1  12.198  -7.121  10.563
    2   2H    GLY   1          H2        GLY   1  13.077  -5.965  11.442
    3   3H    GLY   1          H3        GLY   1  11.724  -6.705  12.140
    4   1HA   GLY   1          HA2       GLY   1  14.340  -7.937  11.516
    5   2HA   GLY   1          HA1       GLY   1  13.612  -7.712  13.100
    6    H    SER   2           HN       SER   2  13.307  -9.425  10.042
    7    HA   SER   2           HA       SER   2  12.678 -11.887  11.284
    8   1HB   SER   2          HB2       SER   2  10.347 -11.999  10.032
    9   2HB   SER   2          HB3       SER   2  10.452 -11.316  11.653
   10    HG   SER   2           HG       SER   2  10.909  -9.282  10.182
   11    H    MET   3           HN       MET   3  12.212  -9.923   8.425
   12    HA   MET   3           HA       MET   3  13.895 -11.492   6.765
   13   1HB   MET   3          HB2       MET   3  11.566 -12.735   6.943
   14   2HB   MET   3          HB3       MET   3  11.034 -11.474   5.841
   15   1HG   MET   3          HG2       MET   3  12.338 -12.240   4.114
   16   2HG   MET   3          HG3       MET   3  13.479 -13.044   5.190
   17   1HE   MET   3          HE1       MET   3  12.598 -16.200   5.926
   18   2HE   MET   3          HE2       MET   3  12.756 -14.684   6.809
   19   3HE   MET   3          HE3       MET   3  11.222 -15.555   6.818
   20    HA   PRO   4           HA       PRO   4  13.804  -7.487   4.712
   21   1HB   PRO   4          HB2       PRO   4  14.427  -8.940   2.219
   22   2HB   PRO   4          HB3       PRO   4  15.336  -7.664   3.032
   23   1HG   PRO   4          HG2       PRO   4  16.178 -10.211   3.027
   24   2HG   PRO   4          HG3       PRO   4  16.431  -9.141   4.419
   25   1HD   PRO   4          HD2       PRO   4  14.408 -11.311   4.034
   26   2HD   PRO   4          HD3       PRO   4  15.322 -10.868   5.491
   27    H    THR   5           HN       THR   5  11.515  -7.353   4.947
   28    HA   THR   5           HA       THR   5   9.614  -8.636   3.394
   29    HB   THR   5           HB       THR   5   9.178  -5.821   4.320
   30    HG1  THR   5           HG1      THR   5   9.878  -6.410   6.246
   31   1HG2  THR   5          HG21      THR   5   7.533  -8.353   4.242
   32   2HG2  THR   5          HG22      THR   5   7.267  -6.864   3.334
   33   3HG2  THR   5          HG23      THR   5   7.014  -6.891   5.079
   34    H    THR   6           HN       THR   6   9.127  -8.538   1.338
   35    HA   THR   6           HA       THR   6  10.247  -6.432  -0.320
   36    HB   THR   6           HB       THR   6   8.679  -8.652  -1.521
   37    HG1  THR   6           HG1      THR   6  11.250  -9.041  -0.327
   38   1HG2  THR   6          HG21      THR   6  10.696  -6.775  -2.302
   39   2HG2  THR   6          HG22      THR   6   9.782  -7.902  -3.306
   40   3HG2  THR   6          HG23      THR   6  11.297  -8.414  -2.561
   41    H    CYS   7           HN       CYS   7   9.067  -5.005  -1.492
   42    HA   CYS   7           HA       CYS   7   6.371  -4.484  -0.739
   43   1HB   CYS   7          HB2       CYS   7   8.143  -2.769  -1.406
   44   2HB   CYS   7          HB3       CYS   7   7.837  -3.257  -3.070
   45    H    GLY   8           HN       GLY   8   4.577  -4.410  -2.130
   46   1HA   GLY   8          HA1       GLY   8   4.689  -6.415  -4.285
   47   2HA   GLY   8          HA2       GLY   8   3.238  -5.951  -3.404
   48    H    PHE   9           HN       PHE   9   5.035  -3.232  -4.011
   49    HA   PHE   9           HA       PHE   9   3.142  -2.258  -5.936
   50   1HB   PHE   9          HB2       PHE   9   4.925  -1.141  -4.073
   51   2HB   PHE   9          HB3       PHE   9   5.501  -0.606  -5.646
   52    HD1  PHE   9           HD1      PHE   9   2.561  -0.665  -3.413
   53    HD2  PHE   9           HD2      PHE   9   4.385   1.070  -6.841
   54    HE1  PHE   9           HE1      PHE   9   0.821   1.074  -3.451
   55    HE2  PHE   9           HE2      PHE   9   2.655   2.813  -6.885
   56    HZ   PHE   9           HZ       PHE   9   0.870   2.822  -5.194
   57    HA   PRO  10           HA       PRO  10   5.199  -3.292  -9.722
   58   1HB   PRO  10          HB2       PRO  10   4.692  -0.953 -11.120
   59   2HB   PRO  10          HB3       PRO  10   3.590  -2.326 -11.000
   60   1HG   PRO  10          HG2       PRO  10   3.616   0.226  -9.453
   61   2HG   PRO  10          HG3       PRO  10   2.237  -0.702 -10.069
   62   1HD   PRO  10          HD2       PRO  10   2.930  -0.783  -7.483
   63   2HD   PRO  10          HD3       PRO  10   2.320  -2.226  -8.323
   64    H    ASN  11           HN       ASN  11   5.876  -0.304  -8.099
   65    HA   ASN  11           HA       ASN  11   8.679  -0.605  -8.613
   66   1HB   ASN  11          HB2       ASN  11   7.709   0.653 -10.643
   67   2HB   ASN  11          HB3       ASN  11   7.500   2.008  -9.534
   68   1HD2  ASN  11          HD21      ASN  11   9.964  -0.362 -10.481
   69   2HD2  ASN  11          HD22      ASN  11  11.285   0.751 -10.459
   70    H    CYS  12           HN       CYS  12   8.921  -0.680  -6.417
   71    HA   CYS  12           HA       CYS  12   8.127   1.642  -4.849
   72   1HB   CYS  12          HB2       CYS  12   7.847  -0.716  -3.987
   73   2HB   CYS  12          HB3       CYS  12   9.603  -0.823  -3.919
   74    H    LYS  13           HN       LYS  13   9.442   3.318  -5.101
   75    HA   LYS  13           HA       LYS  13  12.289   2.946  -5.528
   76   1HB   LYS  13          HB2       LYS  13  12.372   5.260  -6.045
   77   2HB   LYS  13          HB3       LYS  13  10.882   4.659  -6.754
   78   1HG   LYS  13          HG2       LYS  13  10.553   5.687  -4.040
   79   2HG   LYS  13          HG3       LYS  13  11.117   6.891  -5.199
   80   1HD   LYS  13          HD2       LYS  13   8.720   5.112  -5.636
   81   2HD   LYS  13          HD3       LYS  13   8.635   6.749  -4.983
   82   1HE   LYS  13          HE2       LYS  13   9.911   6.112  -7.632
   83   2HE   LYS  13          HE3       LYS  13   8.200   6.500  -7.466
   84   1HZ   LYS  13          HZ1       LYS  13  10.527   8.242  -6.892
   85   2HZ   LYS  13          HZ2       LYS  13   8.965   8.603  -6.334
   86   3HZ   LYS  13          HZ3       LYS  13   9.267   8.500  -8.001
   87    H    PHE  14           HN       PHE  14  10.423   2.850  -2.888
   88    HA   PHE  14           HA       PHE  14  11.803   4.743  -1.210
   89   1HB   PHE  14          HB2       PHE  14   9.694   2.667  -0.612
   90   2HB   PHE  14          HB3       PHE  14  10.364   3.753   0.601
   91    HD1  PHE  14           HD1      PHE  14  10.517   6.302  -0.688
   92    HD2  PHE  14           HD2      PHE  14   7.527   3.298  -1.065
   93    HE1  PHE  14           HE1      PHE  14   8.874   8.020  -1.321
   94    HE2  PHE  14           HE2      PHE  14   5.882   5.009  -1.706
   95    HZ   PHE  14           HZ       PHE  14   6.557   7.377  -1.833
   96    H    ARG  15           HN       ARG  15  11.784   1.227  -1.622
   97    HA   ARG  15           HA       ARG  15  13.432   0.654   0.609
   98   1HB   ARG  15          HB2       ARG  15  13.452  -1.031  -1.877
   99   2HB   ARG  15          HB3       ARG  15  13.599  -1.539  -0.203
  100   1HG   ARG  15          HG2       ARG  15  11.368  -1.647   0.099
  101   2HG   ARG  15          HG3       ARG  15  11.048  -0.260  -0.943
  102   1HD   ARG  15          HD2       ARG  15  11.757  -3.048  -1.851
  103   2HD   ARG  15          HD3       ARG  15  10.162  -2.299  -1.935
  104    HE   ARG  15           HE       ARG  15  11.168  -0.674  -3.506
  105   1HH1  ARG  15          HH12      ARG  15  12.680  -3.800  -3.068
  106   2HH1  ARG  15          HH11      ARG  15  13.481  -3.775  -4.609
  107   1HH2  ARG  15          HH22      ARG  15  12.230  -0.614  -5.510
  108   2HH2  ARG  15          HH21      ARG  15  13.233  -1.948  -6.003
  109    H    SER  16           HN       SER  16  14.100   1.764  -2.602
  110    HA   SER  16           HA       SER  16  16.911   1.064  -2.438
  111   1HB   SER  16          HB2       SER  16  16.147   2.701  -4.711
  112   2HB   SER  16          HB3       SER  16  16.824   1.073  -4.677
  113    HG   SER  16           HG       SER  16  14.720   1.122  -5.594
  114    H    ARG  17           HN       ARG  17  14.984   3.676  -1.498
  115    HA   ARG  17           HA       ARG  17  16.734   5.782  -2.326
  116   1HB   ARG  17          HB2       ARG  17  15.275   7.290  -1.294
  117   2HB   ARG  17          HB3       ARG  17  14.241   6.010  -1.907
  118   1HG   ARG  17          HG2       ARG  17  13.437   5.611   0.119
  119   2HG   ARG  17          HG3       ARG  17  15.057   5.469   0.805
  120   1HD   ARG  17          HD2       ARG  17  13.997   8.178   0.151
  121   2HD   ARG  17          HD3       ARG  17  13.409   7.360   1.598
  122    HE   ARG  17           HE       ARG  17  16.298   7.552   1.232
  123   1HH1  ARG  17          HH12      ARG  17  13.411   8.757   2.831
  124   2HH1  ARG  17          HH11      ARG  17  14.301   9.527   4.112
  125   1HH2  ARG  17          HH22      ARG  17  17.447   8.529   2.931
  126   2HH2  ARG  17          HH21      ARG  17  16.590   9.376   4.182
  127    H    TYR  18           HN       TYR  18  17.094   3.518   0.092
  128    HA   TYR  18           HA       TYR  18  19.129   5.290   1.217
  129   1HB   TYR  18          HB2       TYR  18  18.938   3.424   3.177
  130   2HB   TYR  18          HB3       TYR  18  18.167   5.003   3.214
  131    HD1  TYR  18           HD1      TYR  18  15.804   5.231   2.950
  132    HD2  TYR  18           HD2      TYR  18  17.650   1.413   2.699
  133    HE1  TYR  18           HE1      TYR  18  13.618   4.167   3.189
  134    HE2  TYR  18           HE2      TYR  18  15.461   0.331   2.929
  135    HH   TYR  18           HH       TYR  18  12.920   1.627   4.162
  136    H    ARG  19           HN       ARG  19  18.844   3.104  -0.946
  137    HA   ARG  19           HA       ARG  19  20.099   1.451  -1.877
  138   1HB   ARG  19          HB2       ARG  19  21.758   3.549  -1.078
  139   2HB   ARG  19          HB3       ARG  19  22.602   2.094  -0.567
  140   1HG   ARG  19          HG2       ARG  19  23.350   2.673  -2.752
  141   2HG   ARG  19          HG3       ARG  19  22.365   1.214  -2.876
  142   1HD   ARG  19          HD2       ARG  19  20.432   2.657  -3.512
  143   2HD   ARG  19          HD3       ARG  19  21.531   4.036  -3.538
  144    HE   ARG  19           HE       ARG  19  22.435   3.275  -5.518
  145   1HH1  ARG  19          HH12      ARG  19  20.288   0.855  -4.173
  146   2HH1  ARG  19          HH11      ARG  19  20.268  -0.120  -5.607
  147   1HH2  ARG  19          HH22      ARG  19  22.395   1.993  -7.428
  148   2HH2  ARG  19          HH21      ARG  19  21.447   0.527  -7.455
  149    H    GLY  20           HN       GLY  20  18.787   0.530   0.430
  150   1HA   GLY  20          HA1       GLY  20  20.816  -1.285   1.548
  151   2HA   GLY  20          HA2       GLY  20  19.741  -0.406   2.618
  152    H    LEU  21           HN       LEU  21  17.348  -0.698   1.061
  153    HA   LEU  21           HA       LEU  21  15.525  -2.068   1.129
  154   1HB   LEU  21          HB2       LEU  21  17.605  -3.622  -0.119
  155   2HB   LEU  21          HB3       LEU  21  16.586  -4.667   0.854
  156    HG   LEU  21           HG       LEU  21  15.206  -2.758  -0.949
  157   1HD1  LEU  21          HD11      LEU  21  17.100  -4.812  -1.871
  158   2HD1  LEU  21          HD12      LEU  21  15.509  -4.840  -2.631
  159   3HD1  LEU  21          HD13      LEU  21  16.489  -3.374  -2.691
  160   1HD2  LEU  21          HD21      LEU  21  14.768  -5.450   0.231
  161   2HD2  LEU  21          HD22      LEU  21  13.673  -4.072   0.118
  162   3HD2  LEU  21          HD23      LEU  21  13.978  -5.076  -1.300
  163    H    GLU  22           HN       GLU  22  17.023  -1.441   3.475
  164    HA   GLU  22           HA       GLU  22  16.300  -3.636   5.228
  165   1HB   GLU  22          HB2       GLU  22  18.259  -1.829   5.486
  166   2HB   GLU  22          HB3       GLU  22  16.971  -0.928   6.277
  167   1HG   GLU  22          HG2       GLU  22  17.160  -3.694   7.158
  168   2HG   GLU  22          HG3       GLU  22  18.617  -2.754   7.471
  169    H    ASP  23           HN       ASP  23  14.149  -3.858   5.158
  170    HA   ASP  23           HA       ASP  23  12.225  -1.859   5.036
  171   1HB   ASP  23          HB2       ASP  23  10.603  -3.504   5.700
  172   2HB   ASP  23          HB3       ASP  23  11.777  -4.254   4.623
  173    H    ASN  24           HN       ASN  24  13.743  -0.582   6.704
  174    HA   ASN  24           HA       ASN  24  12.835  -0.744   9.429
  175   1HB   ASN  24          HB2       ASN  24  14.971   0.429   8.245
  176   2HB   ASN  24          HB3       ASN  24  13.898   1.818   8.383
  177   1HD2  ASN  24          HD21      ASN  24  16.181  -0.056   9.918
  178   2HD2  ASN  24          HD22      ASN  24  15.937   0.521  11.542
  179    H    ARG  25           HN       ARG  25  10.598  -0.875   8.060
  180    HA   ARG  25           HA       ARG  25   9.215   1.607   8.608
  181   1HB   ARG  25          HB2       ARG  25   9.809   0.655   5.870
  182   2HB   ARG  25          HB3       ARG  25   8.135   1.103   6.157
  183   1HG   ARG  25          HG2       ARG  25   8.632   3.316   6.444
  184   2HG   ARG  25          HG3       ARG  25  10.272   2.991   7.002
  185   1HD   ARG  25          HD2       ARG  25   9.324   3.584   4.347
  186   2HD   ARG  25          HD3       ARG  25  10.977   3.516   4.956
  187    HE   ARG  25           HE       ARG  25  11.057   1.208   4.365
  188   1HH1  ARG  25          HH12      ARG  25   8.285   2.946   3.167
  189   2HH1  ARG  25          HH11      ARG  25   7.804   1.687   2.069
  190   1HH2  ARG  25          HH22      ARG  25  10.437  -0.443   2.868
  191   2HH2  ARG  25          HH21      ARG  25   9.007  -0.224   1.903
  192    H    HIS  26           HN       HIS  26   6.804   1.045   7.489
  193    HA   HIS  26           HA       HIS  26   6.086  -1.502   8.765
  194   1HB   HIS  26          HB2       HIS  26   5.084   0.893   9.397
  195   2HB   HIS  26          HB3       HIS  26   4.003   0.507   8.063
  196    HD2  HIS  26           HD2      HIS  26   2.751   0.653  11.026
  197    HE1  HIS  26           HE1      HIS  26   2.792  -3.572  10.826
  198    HE2  HIS  26           HE2      HIS  26   2.038  -1.560  12.169
  199    H    PHE  27           HN       PHE  27   4.614  -2.880   7.720
  200    HA   PHE  27           HA       PHE  27   4.185  -2.375   4.863
  201   1HB   PHE  27          HB2       PHE  27   5.548  -4.726   6.136
  202   2HB   PHE  27          HB3       PHE  27   4.622  -4.958   4.656
  203    HD1  PHE  27           HD1      PHE  27   5.419  -4.149   2.560
  204    HD2  PHE  27           HD2      PHE  27   7.545  -3.310   6.148
  205    HE1  PHE  27           HE1      PHE  27   7.348  -3.397   1.236
  206    HE2  PHE  27           HE2      PHE  27   9.481  -2.556   4.829
  207    HZ   PHE  27           HZ       PHE  27   9.378  -2.593   2.369
  208    H    TYR  28           HN       TYR  28   2.085  -2.442   4.511
  209    HA   TYR  28           HA       TYR  28   0.332  -3.560   6.513
  210   1HB   TYR  28          HB2       TYR  28  -0.281  -2.220   3.873
  211   2HB   TYR  28          HB3       TYR  28  -1.480  -2.660   5.087
  212    HD1  TYR  28           HD1      TYR  28  -0.171  -1.846   7.584
  213    HD2  TYR  28           HD2      TYR  28  -0.275   0.107   3.809
  214    HE1  TYR  28           HE1      TYR  28   0.172   0.316   8.699
  215    HE2  TYR  28           HE2      TYR  28   0.059   2.276   4.919
  216    HH   TYR  28           HH       TYR  28  -0.127   2.638   8.352
  217    H    ARG  29           HN       ARG  29  -1.343  -5.065   6.116
  218    HA   ARG  29           HA       ARG  29  -0.433  -7.249   4.397
  219   1HB   ARG  29          HB2       ARG  29  -1.306  -7.210   6.991
  220   2HB   ARG  29          HB3       ARG  29  -2.768  -7.684   6.139
  221   1HG   ARG  29          HG2       ARG  29  -1.610  -9.653   6.828
  222   2HG   ARG  29          HG3       ARG  29  -1.492  -9.521   5.073
  223   1HD   ARG  29          HD2       ARG  29   0.646 -10.172   5.947
  224   2HD   ARG  29          HD3       ARG  29   0.753  -8.516   5.349
  225    HE   ARG  29           HE       ARG  29   0.788  -7.738   7.609
  226   1HH1  ARG  29          HH12      ARG  29   1.007 -11.232   7.292
  227   2HH1  ARG  29          HH11      ARG  29   1.727 -11.452   8.860
  228   1HH2  ARG  29          HH22      ARG  29   1.742  -8.041   9.668
  229   2HH2  ARG  29          HH21      ARG  29   2.154  -9.646  10.196
  230    H    ILE  30           HN       ILE  30  -2.168  -4.718   3.814
  231    HA   ILE  30           HA       ILE  30  -3.672  -4.128   2.233
  232    HB   ILE  30           HB       ILE  30  -3.765  -7.071   1.613
  233   1HG1  ILE  30          HG12      ILE  30  -2.672  -5.170  -0.341
  234   2HG1  ILE  30          HG13      ILE  30  -1.761  -5.252   1.164
  235   1HG2  ILE  30          HG21      ILE  30  -4.917  -4.791   0.009
  236   2HG2  ILE  30          HG22      ILE  30  -4.942  -6.499  -0.428
  237   3HG2  ILE  30          HG23      ILE  30  -5.861  -5.932   0.968
  238   1HD1  ILE  30          HD11      ILE  30  -2.096  -7.263  -0.967
  239   2HD1  ILE  30          HD12      ILE  30  -0.702  -6.900   0.051
  240   3HD1  ILE  30          HD13      ILE  30  -2.032  -7.862   0.691
  241    HA   PRO  31           HA       PRO  31  -7.247  -4.427   4.897
  242   1HB   PRO  31          HB2       PRO  31  -8.338  -2.470   2.992
  243   2HB   PRO  31          HB3       PRO  31  -8.057  -2.308   4.729
  244   1HG   PRO  31          HG2       PRO  31  -6.573  -1.039   2.857
  245   2HG   PRO  31          HG3       PRO  31  -5.921  -1.523   4.430
  246   1HD   PRO  31          HD2       PRO  31  -5.552  -2.764   1.750
  247   2HD   PRO  31          HD3       PRO  31  -4.420  -2.657   3.111
  248    H    LYS  32           HN       LYS  32  -8.528  -6.161   4.601
  249    HA   LYS  32           HA       LYS  32  -9.781  -6.544   1.963
  250   1HB   LYS  32          HB2       LYS  32  -8.744  -8.355   3.984
  251   2HB   LYS  32          HB3       LYS  32 -10.412  -8.736   3.579
  252   1HG   LYS  32          HG2       LYS  32  -9.830  -9.627   1.634
  253   2HG   LYS  32          HG3       LYS  32  -8.853  -8.222   1.208
  254   1HD   LYS  32          HD2       LYS  32  -7.412 -10.131   1.274
  255   2HD   LYS  32          HD3       LYS  32  -7.046  -9.121   2.673
  256   1HE   LYS  32          HE2       LYS  32  -8.937 -10.744   3.719
  257   2HE   LYS  32          HE3       LYS  32  -8.201 -11.831   2.542
  258   1HZ   LYS  32          HZ1       LYS  32  -6.493 -12.125   3.895
  259   2HZ   LYS  32          HZ2       LYS  32  -7.233 -11.136   5.061
  260   3HZ   LYS  32          HZ3       LYS  32  -6.171 -10.457   3.930
  261    H    ARG  33           HN       ARG  33 -10.572  -4.525   3.804
  262    HA   ARG  33           HA       ARG  33 -13.375  -4.993   3.930
  263   1HB   ARG  33          HB2       ARG  33 -12.492  -6.216   5.980
  264   2HB   ARG  33          HB3       ARG  33 -11.988  -4.646   6.593
  265   1HG   ARG  33          HG2       ARG  33 -14.638  -4.269   5.898
  266   2HG   ARG  33          HG3       ARG  33 -14.600  -5.887   6.604
  267   1HD   ARG  33          HD2       ARG  33 -15.015  -4.255   8.337
  268   2HD   ARG  33          HD3       ARG  33 -13.419  -4.966   8.567
  269    HE   ARG  33           HE       ARG  33 -12.431  -2.936   7.902
  270   1HH1  ARG  33          HH12      ARG  33 -15.938  -2.768   7.917
  271   2HH1  ARG  33          HH11      ARG  33 -15.971  -1.030   7.960
  272   1HH2  ARG  33          HH22      ARG  33 -12.489  -0.645   7.927
  273   2HH2  ARG  33          HH21      ARG  33 -14.036   0.168   7.980
  274    HA   PRO  34           HA       PRO  34 -14.883  -4.011   3.462
  275   1HB   PRO  34          HB2       PRO  34 -15.540  -1.885   1.618
  276   2HB   PRO  34          HB3       PRO  34 -16.471  -2.472   2.997
  277   1HG   PRO  34          HG2       PRO  34 -15.302  -0.005   2.894
  278   2HG   PRO  34          HG3       PRO  34 -15.625  -0.879   4.403
  279   1HD   PRO  34          HD2       PRO  34 -13.060  -0.619   2.871
  280   2HD   PRO  34          HD3       PRO  34 -13.340  -0.563   4.627
  281    H    LEU  35           HN       LEU  35 -15.504  -4.714   1.240
  282    HA   LEU  35           HA       LEU  35 -13.269  -5.688  -0.127
  283   1HB   LEU  35          HB2       LEU  35 -15.907  -6.302  -0.053
  284   2HB   LEU  35          HB3       LEU  35 -15.793  -5.561  -1.638
  285    HG   LEU  35           HG       LEU  35 -13.674  -7.503  -1.173
  286   1HD1  LEU  35          HD11      LEU  35 -16.395  -8.702  -1.440
  287   2HD1  LEU  35          HD12      LEU  35 -14.881  -9.456  -0.939
  288   3HD1  LEU  35          HD13      LEU  35 -15.728  -8.365   0.159
  289   1HD2  LEU  35          HD21      LEU  35 -13.970  -6.822  -3.370
  290   2HD2  LEU  35          HD22      LEU  35 -14.781  -8.388  -3.332
  291   3HD2  LEU  35          HD23      LEU  35 -15.729  -6.902  -3.264
  292    H    ILE  36           HN       ILE  36 -15.426  -2.971  -0.921
  293    HA   ILE  36           HA       ILE  36 -14.374  -2.524  -3.508
  294    HB   ILE  36           HB       ILE  36 -15.876  -0.699  -1.635
  295   1HG1  ILE  36          HG12      ILE  36 -17.296  -2.431  -2.405
  296   2HG1  ILE  36          HG13      ILE  36 -17.651  -1.057  -3.448
  297   1HG2  ILE  36          HG21      ILE  36 -15.090   1.001  -2.877
  298   2HG2  ILE  36          HG22      ILE  36 -14.514  -0.072  -4.153
  299   3HG2  ILE  36          HG23      ILE  36 -16.210   0.409  -4.105
  300   1HD1  ILE  36          HD11      ILE  36 -17.544  -3.027  -4.786
  301   2HD1  ILE  36          HD12      ILE  36 -16.127  -2.041  -5.145
  302   3HD1  ILE  36          HD13      ILE  36 -15.972  -3.462  -4.113
  303    H    LEU  37           HN       LEU  37 -13.442  -1.322  -0.328
  304    HA   LEU  37           HA       LEU  37 -11.548   0.578  -1.228
  305   1HB   LEU  37          HB2       LEU  37 -12.007   0.883   1.001
  306   2HB   LEU  37          HB3       LEU  37 -12.081  -0.838   1.331
  307    HG   LEU  37           HG       LEU  37  -9.464  -0.628   0.792
  308   1HD1  LEU  37          HD11      LEU  37 -10.353   2.084   1.110
  309   2HD1  LEU  37          HD12      LEU  37  -9.213   1.653   2.384
  310   3HD1  LEU  37          HD13      LEU  37  -8.756   1.468   0.690
  311   1HD2  LEU  37          HD21      LEU  37  -9.597   0.097   3.468
  312   2HD2  LEU  37          HD22      LEU  37 -11.124  -0.726   3.146
  313   3HD2  LEU  37          HD23      LEU  37  -9.595  -1.539   2.808
  314    H    ARG  38           HN       ARG  38 -11.327  -2.840  -0.377
  315    HA   ARG  38           HA       ARG  38  -8.565  -3.150  -0.813
  316   1HB   ARG  38          HB2       ARG  38  -9.088  -5.148   0.034
  317   2HB   ARG  38          HB3       ARG  38 -10.796  -4.793  -0.149
  318   1HG   ARG  38          HG2       ARG  38 -10.316  -5.553  -2.640
  319   2HG   ARG  38          HG3       ARG  38  -9.004  -6.431  -1.848
  320   1HD   ARG  38          HD2       ARG  38 -10.555  -7.534  -0.382
  321   2HD   ARG  38          HD3       ARG  38 -11.890  -6.558  -0.989
  322    HE   ARG  38           HE       ARG  38 -11.275  -7.716  -3.223
  323   1HH1  ARG  38          HH12      ARG  38 -11.276  -9.167  -0.025
  324   2HH1  ARG  38          HH11      ARG  38 -11.462 -10.789  -0.628
  325   1HH2  ARG  38          HH22      ARG  38 -11.556  -9.851  -4.002
  326   2HH2  ARG  38          HH21      ARG  38 -11.592 -11.175  -2.873
  327    H    GLN  39           HN       GLN  39 -11.349  -3.278  -2.954
  328    HA   GLN  39           HA       GLN  39 -10.019  -4.177  -5.279
  329   1HB   GLN  39          HB2       GLN  39 -12.603  -3.740  -4.649
  330   2HB   GLN  39          HB3       GLN  39 -12.286  -2.292  -5.593
  331   1HG   GLN  39          HG2       GLN  39 -11.245  -4.078  -7.248
  332   2HG   GLN  39          HG3       GLN  39 -12.394  -5.128  -6.421
  333   1HE2  GLN  39          HE21      GLN  39 -13.604  -5.380  -8.292
  334   2HE2  GLN  39          HE22      GLN  39 -14.632  -4.118  -8.899
  335    H    ARG  40           HN       ARG  40 -10.610  -0.975  -3.923
  336    HA   ARG  40           HA       ARG  40  -9.454   0.471  -6.085
  337   1HB   ARG  40          HB2       ARG  40 -10.349   1.107  -3.321
  338   2HB   ARG  40          HB3       ARG  40  -9.219   2.218  -4.077
  339   1HG   ARG  40          HG2       ARG  40 -11.732   1.349  -5.446
  340   2HG   ARG  40          HG3       ARG  40 -11.702   2.689  -4.301
  341   1HD   ARG  40          HD2       ARG  40 -10.317   3.981  -5.663
  342   2HD   ARG  40          HD3       ARG  40  -9.771   2.583  -6.589
  343    HE   ARG  40           HE       ARG  40 -12.429   3.846  -6.821
  344   1HH1  ARG  40          HH12      ARG  40  -9.812   1.939  -8.169
  345   2HH1  ARG  40          HH11      ARG  40 -10.555   1.798  -9.733
  346   1HH2  ARG  40          HH22      ARG  40 -13.407   3.668  -8.872
  347   2HH2  ARG  40          HH21      ARG  40 -12.598   2.785 -10.139
  348    H    TRP  41           HN       TRP  41  -8.215  -1.081  -3.233
  349    HA   TRP  41           HA       TRP  41  -5.658   0.098  -3.153
  350   1HB   TRP  41          HB2       TRP  41  -6.984  -2.259  -2.001
  351   2HB   TRP  41          HB3       TRP  41  -5.253  -2.470  -2.248
  352    HD1  TRP  41           HD1      TRP  41  -7.544   0.255  -0.702
  353    HE1  TRP  41           HE1      TRP  41  -6.373   1.166   1.401
  354    HE3  TRP  41           HE3      TRP  41  -3.267  -2.521  -0.907
  355    HZ2  TRP  41           HZ2      TRP  41  -3.957   0.750   2.790
  356    HZ3  TRP  41           HZ3      TRP  41  -1.570  -2.204   0.844
  357    HH2  TRP  41           HH2      TRP  41  -1.911  -0.596   2.653
  358    H    LEU  42           HN       LEU  42  -6.962  -2.665  -4.909
  359    HA   LEU  42           HA       LEU  42  -4.604  -3.555  -6.127
  360   1HB   LEU  42          HB2       LEU  42  -7.374  -3.606  -7.325
  361   2HB   LEU  42          HB3       LEU  42  -6.033  -4.655  -7.741
  362    HG   LEU  42           HG       LEU  42  -7.417  -4.612  -5.058
  363   1HD1  LEU  42          HD11      LEU  42  -8.150  -6.926  -5.852
  364   2HD1  LEU  42          HD12      LEU  42  -8.978  -5.529  -6.542
  365   3HD1  LEU  42          HD13      LEU  42  -7.735  -6.365  -7.473
  366   1HD2  LEU  42          HD21      LEU  42  -5.018  -5.965  -6.121
  367   2HD2  LEU  42          HD22      LEU  42  -5.424  -5.498  -4.468
  368   3HD2  LEU  42          HD23      LEU  42  -6.124  -6.956  -5.170
  369    H    THR  43           HN       THR  43  -6.609  -0.803  -6.794
  370    HA   THR  43           HA       THR  43  -5.907  -0.270  -9.461
  371    HB   THR  43           HB       THR  43  -6.573   1.725  -7.284
  372    HG1  THR  43           HG1      THR  43  -8.090  -0.134  -8.660
  373   1HG2  THR  43          HG21      THR  43  -7.619   2.451  -9.827
  374   2HG2  THR  43          HG22      THR  43  -5.900   2.105 -10.024
  375   3HG2  THR  43          HG23      THR  43  -6.431   3.309  -8.844
  376    H    ALA  44           HN       ALA  44  -4.147   0.154  -6.500
  377    HA   ALA  44           HA       ALA  44  -2.324   2.110  -7.634
  378   1HB   ALA  44          HB1       ALA  44  -1.743   2.590  -5.521
  379   2HB   ALA  44          HB2       ALA  44  -3.231   1.729  -5.128
  380   3HB   ALA  44          HB3       ALA  44  -1.680   0.895  -5.037
  381    H    ILE  45           HN       ILE  45  -2.504  -1.290  -7.389
  382    HA   ILE  45           HA       ILE  45   0.410  -1.521  -7.752
  383    HB   ILE  45           HB       ILE  45  -0.182  -4.027  -7.079
  384   1HG1  ILE  45          HG12      ILE  45  -2.413  -2.350  -5.989
  385   2HG1  ILE  45          HG13      ILE  45  -2.468  -3.964  -6.683
  386   1HG2  ILE  45          HG21      ILE  45   1.373  -2.301  -6.020
  387   2HG2  ILE  45          HG22      ILE  45   0.045  -1.981  -4.904
  388   3HG2  ILE  45          HG23      ILE  45   0.756  -3.594  -4.988
  389   1HD1  ILE  45          HD11      ILE  45  -0.898  -4.032  -4.304
  390   2HD1  ILE  45          HD12      ILE  45  -2.437  -3.239  -3.969
  391   3HD1  ILE  45          HD13      ILE  45  -2.412  -4.858  -4.666
  392    H    GLY  46           HN       GLY  46  -2.573  -1.885  -9.264
  393   1HA   GLY  46          HA1       GLY  46  -3.168  -2.723 -11.322
  394   2HA   GLY  46          HA2       GLY  46  -1.451  -2.925 -11.652
  395    H    ARG  47           HN       ARG  47  -3.039  -4.387  -8.919
  396    HA   ARG  47           HA       ARG  47  -2.370  -7.019 -10.053
  397   1HB   ARG  47          HB2       ARG  47  -1.762  -5.804  -7.562
  398   2HB   ARG  47          HB3       ARG  47  -2.881  -7.120  -7.236
  399   1HG   ARG  47          HG2       ARG  47  -1.118  -8.457  -7.257
  400   2HG   ARG  47          HG3       ARG  47  -1.072  -8.218  -9.006
  401   1HD   ARG  47          HD2       ARG  47   0.185  -6.108  -7.383
  402   2HD   ARG  47          HD3       ARG  47   0.986  -7.679  -7.354
  403    HE   ARG  47           HE       ARG  47   0.363  -6.930 -10.022
  404   1HH1  ARG  47          HH12      ARG  47   2.576  -6.158  -7.414
  405   2HH1  ARG  47          HH11      ARG  47   3.865  -5.685  -8.476
  406   1HH2  ARG  47          HH22      ARG  47   2.035  -6.245 -11.420
  407   2HH2  ARG  47          HH21      ARG  47   3.552  -5.715 -10.754
  408    H    THR  48           HN       THR  48  -3.731  -8.830  -9.200
  409    HA   THR  48           HA       THR  48  -6.543  -8.013  -8.957
  410    HB   THR  48           HB       THR  48  -6.125 -10.865  -9.359
  411    HG1  THR  48           HG1      THR  48  -4.264  -9.992 -10.530
  412   1HG2  THR  48          HG21      THR  48  -7.944  -8.791 -10.060
  413   2HG2  THR  48          HG22      THR  48  -8.147 -10.535 -10.235
  414   3HG2  THR  48          HG23      THR  48  -7.427  -9.594 -11.544
  415    H    GLU  49           HN       GLU  49  -7.696 -10.104  -7.674
  416    HA   GLU  49           HA       GLU  49  -6.698  -9.536  -5.020
  417   1HB   GLU  49          HB2       GLU  49  -8.805 -11.080  -4.487
  418   2HB   GLU  49          HB3       GLU  49  -8.948  -9.372  -4.875
  419   1HG   GLU  49          HG2       GLU  49  -9.531  -9.880  -7.147
  420   2HG   GLU  49          HG3       GLU  49  -9.245 -11.600  -6.872
  421    H    GLU  50           HN       GLU  50  -6.703 -12.219  -7.216
  422    HA   GLU  50           HA       GLU  50  -5.945 -14.155  -5.221
  423   1HB   GLU  50          HB2       GLU  50  -5.246 -14.681  -8.048
  424   2HB   GLU  50          HB3       GLU  50  -6.046 -15.717  -6.878
  425   1HG   GLU  50          HG2       GLU  50  -7.695 -15.351  -8.429
  426   2HG   GLU  50          HG3       GLU  50  -8.060 -14.131  -7.211
  427    H    THR  51           HN       THR  51  -4.396 -11.715  -6.974
  428    HA   THR  51           HA       THR  51  -1.754 -12.941  -6.750
  429    HB   THR  51           HB       THR  51  -1.576 -10.347  -7.865
  430    HG1  THR  51           HG1      THR  51  -3.511 -11.848  -9.301
  431   1HG2  THR  51          HG21      THR  51  -0.136 -11.651  -8.973
  432   2HG2  THR  51          HG22      THR  51  -1.506 -12.132  -9.974
  433   3HG2  THR  51          HG23      THR  51  -1.043 -13.115  -8.585
  434    H    VAL  52           HN       VAL  52  -3.681 -10.289  -5.514
  435    HA   VAL  52           HA       VAL  52  -1.521  -8.856  -4.371
  436    HB   VAL  52           HB       VAL  52  -3.811  -7.936  -4.998
  437   1HG1  VAL  52          HG11      VAL  52  -5.135  -7.950  -2.599
  438   2HG1  VAL  52          HG12      VAL  52  -5.550  -8.929  -4.007
  439   3HG1  VAL  52          HG13      VAL  52  -4.549  -9.609  -2.724
  440   1HG2  VAL  52          HG21      VAL  52  -2.018  -6.729  -3.729
  441   2HG2  VAL  52          HG22      VAL  52  -3.662  -6.156  -3.443
  442   3HG2  VAL  52          HG23      VAL  52  -2.862  -7.178  -2.247
  443    H    VAL  53           HN       VAL  53  -3.500 -11.464  -3.244
  444    HA   VAL  53           HA       VAL  53  -2.390 -11.160  -0.552
  445    HB   VAL  53           HB       VAL  53  -4.371 -13.305  -1.231
  446   1HG1  VAL  53          HG11      VAL  53  -4.985 -13.078   1.088
  447   2HG1  VAL  53          HG12      VAL  53  -3.232 -13.234   0.971
  448   3HG1  VAL  53          HG13      VAL  53  -3.959 -11.653   1.259
  449   1HG2  VAL  53          HG21      VAL  53  -6.222 -11.910  -1.064
  450   2HG2  VAL  53          HG22      VAL  53  -5.293 -10.598  -0.338
  451   3HG2  VAL  53          HG23      VAL  53  -5.112 -10.963  -2.054
  452    H    SER  54           HN       SER  54  -0.346 -11.773  -1.840
  453    HA   SER  54           HA       SER  54  -0.008 -14.696  -1.649
  454   1HB   SER  54          HB2       SER  54   1.975 -14.200  -3.259
  455   2HB   SER  54          HB3       SER  54   0.339 -14.209  -3.922
  456    HG   SER  54           HG       SER  54   0.445 -12.115  -4.264
  457    H    GLN  55           HN       GLN  55   2.682 -12.608  -2.185
  458    HA   GLN  55           HA       GLN  55   3.354 -12.648   0.685
  459   1HB   GLN  55          HB2       GLN  55   5.648 -12.843   0.172
  460   2HB   GLN  55          HB3       GLN  55   4.862 -13.970  -0.925
  461   1HG   GLN  55          HG2       GLN  55   5.355 -11.208  -1.891
  462   2HG   GLN  55          HG3       GLN  55   6.736 -12.292  -1.728
  463   1HE2  GLN  55          HE21      GLN  55   7.119 -13.712  -3.299
  464   2HE2  GLN  55          HE22      GLN  55   6.054 -14.041  -4.622
  465    H    LEU  56           HN       LEU  56   2.020 -10.855  -1.496
  466    HA   LEU  56           HA       LEU  56   3.500  -8.500  -1.772
  467   1HB   LEU  56          HB2       LEU  56   0.963  -9.475  -2.536
  468   2HB   LEU  56          HB3       LEU  56   0.686  -7.955  -1.709
  469    HG   LEU  56           HG       LEU  56   2.728  -7.283  -3.386
  470   1HD1  LEU  56          HD11      LEU  56   1.950  -8.173  -5.621
  471   2HD1  LEU  56          HD12      LEU  56   2.830  -9.307  -4.593
  472   3HD1  LEU  56          HD13      LEU  56   1.073  -9.408  -4.716
  473   1HD2  LEU  56          HD21      LEU  56   0.078  -7.066  -4.611
  474   2HD2  LEU  56          HD22      LEU  56   0.154  -6.517  -2.936
  475   3HD2  LEU  56          HD23      LEU  56   1.222  -5.806  -4.147
  476    H    ARG  57           HN       ARG  57   3.988  -6.970  -0.388
  477    HA   ARG  57           HA       ARG  57   2.139  -6.374   1.804
  478   1HB   ARG  57          HB2       ARG  57   4.860  -7.352   2.037
  479   2HB   ARG  57          HB3       ARG  57   4.703  -5.761   2.770
  480   1HG   ARG  57          HG2       ARG  57   4.231  -7.166   4.533
  481   2HG   ARG  57          HG3       ARG  57   2.618  -6.777   3.931
  482   1HD   ARG  57          HD2       ARG  57   2.843  -9.162   4.409
  483   2HD   ARG  57          HD3       ARG  57   2.560  -8.874   2.694
  484    HE   ARG  57           HE       ARG  57   4.735  -9.567   2.223
  485   1HH1  ARG  57          HH12      ARG  57   4.119  -9.608   5.680
  486   2HH1  ARG  57          HH11      ARG  57   5.519 -10.563   6.042
  487   1HH2  ARG  57          HH22      ARG  57   6.592 -10.823   2.715
  488   2HH2  ARG  57          HH21      ARG  57   6.905 -11.258   4.376
  489    H    ILE  58           HN       ILE  58   1.854  -4.195   2.150
  490    HA   ILE  58           HA       ILE  58   3.158  -2.490   0.137
  491    HB   ILE  58           HB       ILE  58   0.484  -2.081   1.483
  492   1HG1  ILE  58          HG12      ILE  58   0.424  -3.981  -0.056
  493   2HG1  ILE  58          HG13      ILE  58  -0.473  -2.622  -0.725
  494   1HG2  ILE  58          HG21      ILE  58   0.783   0.041   0.865
  495   2HG2  ILE  58          HG22      ILE  58   2.182  -0.357  -0.134
  496   3HG2  ILE  58          HG23      ILE  58   0.553  -0.531  -0.788
  497   1HD1  ILE  58          HD11      ILE  58   0.994  -2.318  -2.434
  498   2HD1  ILE  58          HD12      ILE  58   2.372  -2.907  -1.504
  499   3HD1  ILE  58          HD13      ILE  58   1.209  -4.050  -2.176
  500    H    CYS  59           HN       CYS  59   4.579  -1.102   0.869
  501    HA   CYS  59           HA       CYS  59   5.204  -0.538   3.490
  502   1HB   CYS  59          HB2       CYS  59   5.528   1.409   1.226
  503   2HB   CYS  59          HB3       CYS  59   6.532   1.266   2.663
  504    H    SER  60           HN       SER  60   4.732   1.061   4.941
  505    HA   SER  60           HA       SER  60   2.233   2.393   4.840
  506   1HB   SER  60          HB2       SER  60   3.381   3.716   6.798
  507   2HB   SER  60          HB3       SER  60   3.006   2.005   7.011
  508    HG   SER  60           HG       SER  60   5.465   3.285   6.770
  509    H    ALA  61           HN       ALA  61   5.270   3.077   3.492
  510    HA   ALA  61           HA       ALA  61   5.184   5.936   3.630
  511   1HB   ALA  61          HB1       ALA  61   7.218   5.919   2.516
  512   2HB   ALA  61          HB2       ALA  61   7.239   4.392   3.399
  513   3HB   ALA  61          HB3       ALA  61   6.862   4.409   1.676
  514    H    HIS  62           HN       HIS  62   3.434   3.781   1.807
  515    HA   HIS  62           HA       HIS  62   3.414   5.369  -0.635
  516   1HB   HIS  62          HB2       HIS  62   2.009   2.807   0.147
  517   2HB   HIS  62          HB3       HIS  62   1.757   3.615  -1.397
  518    HD1  HIS  62           HD1      HIS  62   3.985   3.798  -2.963
  519    HD2  HIS  62           HD2      HIS  62   4.156   1.176   0.273
  520    HE1  HIS  62           HE1      HIS  62   5.978   2.267  -3.371
  521    H    PHE  63           HN       PHE  63   2.424   6.444   1.924
  522    HA   PHE  63           HA       PHE  63  -0.260   7.206   1.016
  523   1HB   PHE  63          HB2       PHE  63   0.498   6.378   3.827
  524   2HB   PHE  63          HB3       PHE  63  -1.002   7.205   3.421
  525    HD1  PHE  63           HD1      PHE  63  -2.801   6.054   2.352
  526    HD2  PHE  63           HD2      PHE  63   0.894   4.090   3.113
  527    HE1  PHE  63           HE1      PHE  63  -3.853   3.890   1.853
  528    HE2  PHE  63           HE2      PHE  63  -0.150   1.925   2.616
  529    HZ   PHE  63           HZ       PHE  63  -2.524   1.824   1.982
  530    H    GLU  64           HN       GLU  64  -0.917   9.301   1.678
  531    HA   GLU  64           HA       GLU  64   1.125  11.231   1.969
  532   1HB   GLU  64          HB2       GLU  64  -1.831  11.220   1.948
  533   2HB   GLU  64          HB3       GLU  64  -1.084  12.567   2.796
  534   1HG   GLU  64          HG2       GLU  64  -0.251  11.814   0.022
  535   2HG   GLU  64          HG3       GLU  64  -1.647  12.848   0.320
  536    H    GLY  65           HN       GLY  65   2.391  11.205   3.706
  537   1HA   GLY  65          HA1       GLY  65   2.873  11.759   5.936
  538   2HA   GLY  65          HA2       GLY  65   1.171  11.564   6.330
  539    H    GLY  66           HN       GLY  66   1.695   8.931   4.610
  540   1HA   GLY  66          HA1       GLY  66   2.213   6.731   5.038
  541   2HA   GLY  66          HA2       GLY  66   3.274   7.290   6.320
  542    H    GLU  67           HN       GLU  67  -0.206   6.941   5.614
  543    HA   GLU  67           HA       GLU  67  -0.584   5.540   8.117
  544   1HB   GLU  67          HB2       GLU  67  -0.752   7.986   8.680
  545   2HB   GLU  67          HB3       GLU  67  -2.133   8.082   7.599
  546   1HG   GLU  67          HG2       GLU  67  -2.953   7.893   9.817
  547   2HG   GLU  67          HG3       GLU  67  -3.265   6.362   9.000
  548    H    LYS  68           HN       LYS  68  -1.853   3.871   7.635
  549    HA   LYS  68           HA       LYS  68  -3.818   4.145   5.468
  550   1HB   LYS  68          HB2       LYS  68  -2.325   2.255   5.226
  551   2HB   LYS  68          HB3       LYS  68  -2.727   1.688   6.841
  552   1HG   LYS  68          HG2       LYS  68  -5.188   1.763   5.747
  553   2HG   LYS  68          HG3       LYS  68  -4.220   1.425   4.312
  554   1HD   LYS  68          HD2       LYS  68  -4.778  -0.689   5.148
  555   2HD   LYS  68          HD3       LYS  68  -3.127  -0.422   5.712
  556   1HE   LYS  68          HE2       LYS  68  -4.616  -1.371   7.450
  557   2HE   LYS  68          HE3       LYS  68  -3.919   0.183   7.900
  558   1HZ   LYS  68          HZ1       LYS  68  -6.706  -0.411   7.088
  559   2HZ   LYS  68          HZ2       LYS  68  -6.086   1.168   7.054
  560   3HZ   LYS  68          HZ3       LYS  68  -6.145   0.316   8.515
  561    H    LYS  69           HN       LYS  69  -5.612   5.051   6.333
  562    HA   LYS  69           HA       LYS  69  -6.740   3.873   8.762
  563   1HB   LYS  69          HB2       LYS  69  -7.774   6.171   7.079
  564   2HB   LYS  69          HB3       LYS  69  -8.405   5.664   8.639
  565   1HG   LYS  69          HG2       LYS  69  -7.073   7.208   9.522
  566   2HG   LYS  69          HG3       LYS  69  -5.735   6.119   9.152
  567   1HD   LYS  69          HD2       LYS  69  -5.059   8.113   8.175
  568   2HD   LYS  69          HD3       LYS  69  -5.774   7.237   6.822
  569   1HE   LYS  69          HE2       LYS  69  -7.758   8.790   8.233
  570   2HE   LYS  69          HE3       LYS  69  -6.419   9.803   7.699
  571   1HZ   LYS  69          HZ1       LYS  69  -6.780   8.474   5.482
  572   2HZ   LYS  69          HZ2       LYS  69  -7.732   9.836   5.852
  573   3HZ   LYS  69          HZ3       LYS  69  -8.348   8.278   6.103
  574    H    GLU  70           HN       GLU  70  -9.498   4.374   7.944
  575    HA   GLU  70           HA       GLU  70  -9.826   2.013   6.243
  576   1HB   GLU  70          HB2       GLU  70 -11.862   3.502   7.916
  577   2HB   GLU  70          HB3       GLU  70 -12.149   2.002   7.042
  578   1HG   GLU  70          HG2       GLU  70 -10.293   2.408   9.376
  579   2HG   GLU  70          HG3       GLU  70 -11.814   1.517   9.366
  580    H    GLY  71           HN       GLY  71  -9.181   3.247   4.336
  581   1HA   GLY  71          HA1       GLY  71 -11.070   3.763   2.529
  582   2HA   GLY  71          HA2       GLY  71 -11.066   5.275   3.419
  583    H    ASP  72           HN       ASP  72  -8.000   4.444   3.719
  584    HA   ASP  72           HA       ASP  72  -7.189   6.143   1.527
  585   1HB   ASP  72          HB2       ASP  72  -5.368   4.821   3.542
  586   2HB   ASP  72          HB3       ASP  72  -5.054   6.262   2.582
  587    H    ILE  73           HN       ILE  73  -6.305   5.524  -0.305
  588    HA   ILE  73           HA       ILE  73  -5.511   2.714  -0.683
  589    HB   ILE  73           HB       ILE  73  -6.132   4.869  -2.728
  590   1HG1  ILE  73          HG12      ILE  73  -7.846   2.519  -2.725
  591   2HG1  ILE  73          HG13      ILE  73  -7.893   3.372  -1.186
  592   1HG2  ILE  73          HG21      ILE  73  -6.057   2.035  -3.533
  593   2HG2  ILE  73          HG22      ILE  73  -5.579   3.484  -4.415
  594   3HG2  ILE  73          HG23      ILE  73  -4.504   2.800  -3.196
  595   1HD1  ILE  73          HD11      ILE  73  -9.062   5.061  -2.039
  596   2HD1  ILE  73          HD12      ILE  73  -8.066   5.137  -3.492
  597   3HD1  ILE  73          HD13      ILE  73  -9.386   3.972  -3.388
  598    HA   PRO  74           HA       PRO  74  -1.300   4.132  -0.703
  599   1HB   PRO  74          HB2       PRO  74  -0.107   2.167  -2.140
  600   2HB   PRO  74          HB3       PRO  74  -0.648   1.944  -0.473
  601   1HG   PRO  74          HG2       PRO  74  -1.981   1.122  -3.022
  602   2HG   PRO  74          HG3       PRO  74  -1.821   0.225  -1.499
  603   1HD   PRO  74          HD2       PRO  74  -4.088   1.540  -2.213
  604   2HD   PRO  74          HD3       PRO  74  -3.590   1.330  -0.524
  605    H    VAL  75           HN       VAL  75   0.153   5.229  -2.025
  606    HA   VAL  75           HA       VAL  75  -0.492   5.296  -4.899
  607    HB   VAL  75           HB       VAL  75   0.439   7.708  -4.813
  608   1HG1  VAL  75          HG11      VAL  75  -2.017   6.774  -5.023
  609   2HG1  VAL  75          HG12      VAL  75  -2.204   7.554  -3.454
  610   3HG1  VAL  75          HG13      VAL  75  -1.702   8.499  -4.854
  611   1HG2  VAL  75          HG21      VAL  75  -0.173   8.835  -2.621
  612   2HG2  VAL  75          HG22      VAL  75  -0.196   7.221  -1.909
  613   3HG2  VAL  75          HG23      VAL  75   1.292   7.852  -2.615
  614    HA   PRO  76           HA       PRO  76   3.671   4.268  -5.712
  615   1HB   PRO  76          HB2       PRO  76   4.320   6.026  -7.743
  616   2HB   PRO  76          HB3       PRO  76   3.422   4.521  -7.962
  617   1HG   PRO  76          HG2       PRO  76   2.423   7.322  -7.792
  618   2HG   PRO  76          HG3       PRO  76   1.832   5.974  -8.778
  619   1HD   PRO  76          HD2       PRO  76   0.584   6.824  -6.519
  620   2HD   PRO  76          HD3       PRO  76   0.546   5.130  -7.071
  621    H    ASP  77           HN       ASP  77   3.614   7.751  -6.324
  622    HA   ASP  77           HA       ASP  77   5.464   8.155  -4.065
  623   1HB   ASP  77          HB2       ASP  77   6.457   8.411  -6.428
  624   2HB   ASP  77          HB3       ASP  77   5.454   9.852  -6.555
  625    HA   PRO  78           HA       PRO  78   1.787  10.493  -2.904
  626   1HB   PRO  78          HB2       PRO  78   3.450  11.101  -0.538
  627   2HB   PRO  78          HB3       PRO  78   1.845  10.372  -0.627
  628   1HG   PRO  78          HG2       PRO  78   3.994   8.913   0.002
  629   2HG   PRO  78          HG3       PRO  78   2.680   8.249  -0.986
  630   1HD   PRO  78          HD2       PRO  78   5.366   9.265  -1.838
  631   2HD   PRO  78          HD3       PRO  78   4.460   7.847  -2.414
  632    H    THR  79           HN       THR  79   4.977  11.512  -3.462
  633    HA   THR  79           HA       THR  79   4.234  14.339  -3.184
  634    HB   THR  79           HB       THR  79   6.979  14.201  -3.705
  635    HG1  THR  79           HG1      THR  79   6.786  11.906  -3.170
  636   1HG2  THR  79          HG21      THR  79   5.371  14.558  -1.190
  637   2HG2  THR  79          HG22      THR  79   6.087  15.805  -2.213
  638   3HG2  THR  79          HG23      THR  79   7.121  14.762  -1.233
  639    H    VAL  80           HN       VAL  80   4.152  12.050  -5.445
  640    HA   VAL  80           HA       VAL  80   4.804  13.950  -7.599
  641    HB   VAL  80           HB       VAL  80   5.380  10.998  -7.464
  642   1HG1  VAL  80          HG11      VAL  80   4.603  10.819  -9.562
  643   2HG1  VAL  80          HG12      VAL  80   4.600  12.564  -9.819
  644   3HG1  VAL  80          HG13      VAL  80   6.095  11.648 -10.002
  645   1HG2  VAL  80          HG21      VAL  80   7.146  13.157  -8.556
  646   2HG2  VAL  80          HG22      VAL  80   7.044  12.849  -6.821
  647   3HG2  VAL  80          HG23      VAL  80   7.588  11.576  -7.913
  648    H    ASP  81           HN       ASP  81   2.883  11.089  -6.699
  649    HA   ASP  81           HA       ASP  81   0.933  11.787  -8.771
  650   1HB   ASP  81          HB2       ASP  81   1.910   9.357  -8.144
  651   2HB   ASP  81          HB3       ASP  81   0.513   9.384  -7.066
  652    H    LYS  82           HN       LYS  82  -1.405  11.301  -8.057
  653    HA   LYS  82           HA       LYS  82  -1.886  12.976  -5.715
  654   1HB   LYS  82          HB2       LYS  82  -3.510  12.196  -8.108
  655   2HB   LYS  82          HB3       LYS  82  -4.325  12.754  -6.655
  656   1HG   LYS  82          HG2       LYS  82  -4.089  14.786  -7.547
  657   2HG   LYS  82          HG3       LYS  82  -2.418  14.673  -6.990
  658   1HD   LYS  82          HD2       LYS  82  -2.362  15.333  -9.279
  659   2HD   LYS  82          HD3       LYS  82  -1.845  13.648  -9.204
  660   1HE   LYS  82          HE2       LYS  82  -4.341  13.120  -9.644
  661   2HE   LYS  82          HE3       LYS  82  -4.428  14.793 -10.194
  662   1HZ   LYS  82          HZ1       LYS  82  -3.968  13.074 -11.946
  663   2HZ   LYS  82          HZ2       LYS  82  -2.438  12.865 -11.249
  664   3HZ   LYS  82          HZ3       LYS  82  -2.880  14.372 -11.896
  665    H    GLN  83           HN       GLN  83  -1.863  11.836  -3.931
  666    HA   GLN  83           HA       GLN  83  -2.394   9.359  -3.180
  667   1HB   GLN  83          HB2       GLN  83  -1.907  10.933  -1.496
  668   2HB   GLN  83          HB3       GLN  83  -3.289  11.933  -1.911
  669   1HG   GLN  83          HG2       GLN  83  -3.872  10.910   0.103
  670   2HG   GLN  83          HG3       GLN  83  -4.734   9.991  -1.130
  671   1HE2  GLN  83          HE21      GLN  83  -4.723   7.917  -0.743
  672   2HE2  GLN  83          HE22      GLN  83  -3.430   7.009  -0.046
  673    H    ILE  84           HN       ILE  84  -3.861   7.937  -3.833
  674    HA   ILE  84           HA       ILE  84  -6.543   8.746  -4.503
  675    HB   ILE  84           HB       ILE  84  -5.700   5.873  -4.314
  676   1HG1  ILE  84          HG12      ILE  84  -5.425   6.922  -6.999
  677   2HG1  ILE  84          HG13      ILE  84  -4.309   7.726  -5.892
  678   1HG2  ILE  84          HG21      ILE  84  -7.421   5.456  -5.818
  679   2HG2  ILE  84          HG22      ILE  84  -8.079   6.720  -4.780
  680   3HG2  ILE  84          HG23      ILE  84  -7.464   7.127  -6.381
  681   1HD1  ILE  84          HD11      ILE  84  -4.144   5.131  -7.065
  682   2HD1  ILE  84          HD12      ILE  84  -2.958   5.984  -6.075
  683   3HD1  ILE  84          HD13      ILE  84  -4.191   4.982  -5.307
  684    H    LYS  85           HN       LYS  85  -8.098   8.904  -3.006
  685    HA   LYS  85           HA       LYS  85  -8.158   6.890  -0.892
  686   1HB   LYS  85          HB2       LYS  85  -8.356   8.382   0.888
  687   2HB   LYS  85          HB3       LYS  85  -7.093   9.101  -0.098
  688   1HG   LYS  85          HG2       LYS  85  -9.597  10.130  -0.961
  689   2HG   LYS  85          HG3       LYS  85  -9.505  10.263   0.796
  690   1HD   LYS  85          HD2       LYS  85  -7.281  11.338   0.544
  691   2HD   LYS  85          HD3       LYS  85  -7.503  11.302  -1.207
  692   1HE   LYS  85          HE2       LYS  85  -9.302  12.706   0.765
  693   2HE   LYS  85          HE3       LYS  85  -8.088  13.483  -0.251
  694   1HZ   LYS  85          HZ1       LYS  85 -10.140  13.745  -1.340
  695   2HZ   LYS  85          HZ2       LYS  85 -10.582  12.127  -1.110
  696   3HZ   LYS  85          HZ3       LYS  85  -9.336  12.521  -2.194
  697    H    ILE  86           HN       ILE  86 -10.239   6.470  -0.062
  698    HA   ILE  86           HA       ILE  86 -12.399   7.357  -1.833
  699    HB   ILE  86           HB       ILE  86 -12.600   5.272   0.337
  700   1HG1  ILE  86          HG12      ILE  86 -12.421   4.292  -2.416
  701   2HG1  ILE  86          HG13      ILE  86 -10.944   5.056  -1.846
  702   1HG2  ILE  86          HG21      ILE  86 -14.528   6.501  -1.195
  703   2HG2  ILE  86          HG22      ILE  86 -14.240   4.982  -2.045
  704   3HG2  ILE  86          HG23      ILE  86 -14.704   4.966  -0.343
  705   1HD1  ILE  86          HD11      ILE  86 -11.668   2.451  -1.434
  706   2HD1  ILE  86          HD12      ILE  86 -10.435   3.338  -0.535
  707   3HD1  ILE  86          HD13      ILE  86 -12.078   3.224   0.097
  708    H    GLU  87           HN       GLU  87 -13.969   8.705  -1.158
  709    HA   GLU  87           HA       GLU  87 -13.691   9.981   1.395
  710   1HB   GLU  87          HB2       GLU  87 -16.122  10.278  -0.344
  711   2HB   GLU  87          HB3       GLU  87 -15.387  11.459   0.725
  712   1HG   GLU  87          HG2       GLU  87 -14.289  10.517  -1.914
  713   2HG   GLU  87          HG3       GLU  87 -15.065  12.065  -1.594
  714    H    LEU  88           HN       LEU  88 -14.121   8.624   3.070
  715    HA   LEU  88           HA       LEU  88 -16.375   6.862   3.067
  716   1HB   LEU  88          HB2       LEU  88 -14.351   6.354   4.363
  717   2HB   LEU  88          HB3       LEU  88 -14.623   7.779   5.350
  718    HG   LEU  88           HG       LEU  88 -16.900   6.671   5.929
  719   1HD1  LEU  88          HD11      LEU  88 -16.439   4.093   5.965
  720   2HD1  LEU  88          HD12      LEU  88 -17.127   4.861   4.536
  721   3HD1  LEU  88          HD13      LEU  88 -15.408   4.465   4.584
  722   1HD2  LEU  88          HD21      LEU  88 -14.191   6.204   6.967
  723   2HD2  LEU  88          HD22      LEU  88 -15.651   6.741   7.798
  724   3HD2  LEU  88          HD23      LEU  88 -15.399   5.026   7.481
  725    HA   PRO  89           HA       PRO  89 -19.150  10.229   4.090
  726   1HB   PRO  89          HB2       PRO  89 -21.197   8.130   4.056
  727   2HB   PRO  89          HB3       PRO  89 -21.047   9.557   3.028
  728   1HG   PRO  89          HG2       PRO  89 -20.626   7.064   2.093
  729   2HG   PRO  89          HG3       PRO  89 -19.732   8.470   1.482
  730   1HD   PRO  89          HD2       PRO  89 -18.869   6.381   3.448
  731   2HD   PRO  89          HD3       PRO  89 -17.952   7.126   2.121
  732    HA   PRO  90           HA       PRO  90 -19.168   9.492   8.525
  733   1HB   PRO  90          HB2       PRO  90 -21.093  11.761   8.327
  734   2HB   PRO  90          HB3       PRO  90 -19.697  11.560   9.393
  735   1HG   PRO  90          HG2       PRO  90 -19.561  13.187   7.297
  736   2HG   PRO  90          HG3       PRO  90 -18.182  12.166   7.741
  737   1HD   PRO  90          HD2       PRO  90 -20.153  11.828   5.523
  738   2HD   PRO  90          HD3       PRO  90 -18.414  11.471   5.552
  739    H    LYS  91           HN       LYS  91 -20.272   7.747   9.045
  740    HA   LYS  91           HA       LYS  91 -22.663   6.965   7.847
  741   1HB   LYS  91          HB2       LYS  91 -21.014   5.984  10.124
  742   2HB   LYS  91          HB3       LYS  91 -22.654   5.368   9.978
  743   1HG   LYS  91          HG2       LYS  91 -22.159   4.639   7.685
  744   2HG   LYS  91          HG3       LYS  91 -20.498   5.202   7.879
  745   1HD   LYS  91          HD2       LYS  91 -20.674   2.789   8.246
  746   2HD   LYS  91          HD3       LYS  91 -20.173   3.625   9.717
  747   1HE   LYS  91          HE2       LYS  91 -21.838   2.576  10.760
  748   2HE   LYS  91          HE3       LYS  91 -22.943   3.603   9.848
  749   1HZ   LYS  91          HZ1       LYS  91 -21.923   1.072   8.715
  750   2HZ   LYS  91          HZ2       LYS  91 -23.305   1.953   8.277
  751   3HZ   LYS  91          HZ3       LYS  91 -23.274   1.096   9.740
  Start of MODEL   15
    1   1H    GLY   1          H1        GLY   1  18.500 -14.325   7.067
    2   2H    GLY   1          H2        GLY   1  17.210 -15.275   6.510
    3   3H    GLY   1          H3        GLY   1  18.521 -16.003   7.306
    4   1HA   GLY   1          HA2       GLY   1  16.468 -15.752   8.683
    5   2HA   GLY   1          HA1       GLY   1  17.937 -15.077   9.376
    6    H    SER   2           HN       SER   2  18.326 -12.744   8.950
    7    HA   SER   2           HA       SER   2  15.934 -11.233   9.455
    8   1HB   SER   2          HB2       SER   2  18.457  -9.794   8.857
    9   2HB   SER   2          HB3       SER   2  17.339  -9.601  10.207
   10    HG   SER   2           HG       SER   2  18.451 -10.985  11.352
   11    H    MET   3           HN       MET   3  14.954 -11.893   7.375
   12    HA   MET   3           HA       MET   3  16.005 -10.562   5.004
   13   1HB   MET   3          HB2       MET   3  15.225 -12.879   4.795
   14   2HB   MET   3          HB3       MET   3  13.632 -12.405   5.366
   15   1HG   MET   3          HG2       MET   3  13.875 -10.736   3.286
   16   2HG   MET   3          HG3       MET   3  14.878 -12.071   2.718
   17   1HE   MET   3          HE1       MET   3  12.372 -13.844   0.826
   18   2HE   MET   3          HE2       MET   3  13.918 -13.004   0.950
   19   3HE   MET   3          HE3       MET   3  13.667 -14.523   1.811
   20    HA   PRO   4           HA       PRO   4  13.178  -7.133   5.546
   21   1HB   PRO   4          HB2       PRO   4  13.573  -5.964   3.140
   22   2HB   PRO   4          HB3       PRO   4  14.775  -5.880   4.434
   23   1HG   PRO   4          HG2       PRO   4  14.687  -7.681   2.045
   24   2HG   PRO   4          HG3       PRO   4  16.067  -6.810   2.737
   25   1HD   PRO   4          HD2       PRO   4  15.603  -9.449   3.188
   26   2HD   PRO   4          HD3       PRO   4  16.409  -8.396   4.367
   27    H    THR   5           HN       THR   5  11.414  -6.084   4.041
   28    HA   THR   5           HA       THR   5   9.821  -8.342   3.071
   29    HB   THR   5           HB       THR   5   8.589  -5.664   3.223
   30    HG1  THR   5           HG1      THR   5   9.910  -5.604   5.073
   31   1HG2  THR   5          HG21      THR   5   7.352  -7.768   2.740
   32   2HG2  THR   5          HG22      THR   5   6.749  -6.911   4.158
   33   3HG2  THR   5          HG23      THR   5   7.763  -8.340   4.358
   34    H    THR   6           HN       THR   6   9.275  -8.614   1.015
   35    HA   THR   6           HA       THR   6  10.254  -6.754  -0.977
   36    HB   THR   6           HB       THR   6   8.527  -9.091  -1.687
   37    HG1  THR   6           HG1      THR   6  10.016  -9.880  -0.087
   38   1HG2  THR   6          HG21      THR   6  10.380  -7.312  -2.989
   39   2HG2  THR   6          HG22      THR   6   9.277  -8.490  -3.702
   40   3HG2  THR   6          HG23      THR   6  10.890  -8.987  -3.194
   41    H    CYS   7           HN       CYS   7   9.098  -4.976  -1.268
   42    HA   CYS   7           HA       CYS   7   6.407  -4.589  -0.699
   43   1HB   CYS   7          HB2       CYS   7   8.121  -2.803  -1.072
   44   2HB   CYS   7          HB3       CYS   7   8.026  -3.133  -2.797
   45    H    GLY   8           HN       GLY   8   4.554  -4.727  -1.851
   46   1HA   GLY   8          HA1       GLY   8   4.593  -6.495  -4.149
   47   2HA   GLY   8          HA2       GLY   8   3.167  -5.894  -3.315
   48    H    PHE   9           HN       PHE   9   5.031  -3.268  -3.821
   49    HA   PHE   9           HA       PHE   9   3.356  -2.238  -5.874
   50   1HB   PHE   9          HB2       PHE   9   5.193  -1.192  -4.012
   51   2HB   PHE   9          HB3       PHE   9   5.806  -0.745  -5.603
   52    HD1  PHE   9           HD1      PHE   9   5.051   1.205  -6.535
   53    HD2  PHE   9           HD2      PHE   9   2.593  -0.831  -3.727
   54    HE1  PHE   9           HE1      PHE   9   3.394   3.014  -6.680
   55    HE2  PHE   9           HE2      PHE   9   0.930   0.971  -3.858
   56    HZ   PHE   9           HZ       PHE   9   1.334   2.910  -5.345
   57    HA   PRO  10           HA       PRO  10   5.350  -3.618  -9.548
   58   1HB   PRO  10          HB2       PRO  10   4.940  -1.395 -11.130
   59   2HB   PRO  10          HB3       PRO  10   3.744  -2.665 -10.852
   60   1HG   PRO  10          HG2       PRO  10   4.011   0.008  -9.546
   61   2HG   PRO  10          HG3       PRO  10   2.547  -0.854 -10.055
   62   1HD   PRO  10          HD2       PRO  10   3.306  -0.772  -7.480
   63   2HD   PRO  10          HD3       PRO  10   2.542  -2.214  -8.180
   64    H    ASN  11           HN       ASN  11   6.133  -0.524  -8.202
   65    HA   ASN  11           HA       ASN  11   8.934  -0.931  -8.680
   66   1HB   ASN  11          HB2       ASN  11   7.820   0.220 -10.791
   67   2HB   ASN  11          HB3       ASN  11   7.932   1.662  -9.786
   68   1HD2  ASN  11          HD21      ASN  11  10.062   2.224  -8.953
   69   2HD2  ASN  11          HD22      ASN  11  11.467   1.820  -9.883
   70    H    CYS  12           HN       CYS  12   8.891  -0.877  -6.393
   71    HA   CYS  12           HA       CYS  12   7.991   1.510  -5.050
   72   1HB   CYS  12          HB2       CYS  12   7.732  -0.686  -3.983
   73   2HB   CYS  12          HB3       CYS  12   9.479  -0.899  -3.989
   74    H    LYS  13           HN       LYS  13   9.170   3.280  -5.075
   75    HA   LYS  13           HA       LYS  13  12.064   3.149  -5.281
   76   1HB   LYS  13          HB2       LYS  13  11.867   5.673  -5.264
   77   2HB   LYS  13          HB3       LYS  13  11.078   4.860  -6.608
   78   1HG   LYS  13          HG2       LYS  13   9.060   5.617  -6.028
   79   2HG   LYS  13          HG3       LYS  13   9.324   5.282  -4.316
   80   1HD   LYS  13          HD2       LYS  13   9.033   7.661  -4.635
   81   2HD   LYS  13          HD3       LYS  13  10.703   7.332  -4.167
   82   1HE   LYS  13          HE2       LYS  13  11.531   7.867  -6.241
   83   2HE   LYS  13          HE3       LYS  13  10.033   7.442  -7.067
   84   1HZ   LYS  13          HZ1       LYS  13  10.012   9.712  -7.193
   85   2HZ   LYS  13          HZ2       LYS  13  10.754   9.938  -5.688
   86   3HZ   LYS  13          HZ3       LYS  13   9.119   9.489  -5.769
   87    H    PHE  14           HN       PHE  14  10.094   2.585  -2.833
   88    HA   PHE  14           HA       PHE  14  11.371   4.369  -0.899
   89   1HB   PHE  14          HB2       PHE  14   8.974   2.550  -0.701
   90   2HB   PHE  14          HB3       PHE  14   9.661   3.389   0.688
   91    HD1  PHE  14           HD1      PHE  14   7.109   3.546  -1.580
   92    HD2  PHE  14           HD2      PHE  14  10.160   6.017   0.063
   93    HE1  PHE  14           HE1      PHE  14   5.789   5.546  -2.140
   94    HE2  PHE  14           HE2      PHE  14   8.844   8.021  -0.490
   95    HZ   PHE  14           HZ       PHE  14   6.654   7.784  -1.595
   96    H    ARG  15           HN       ARG  15  11.083   0.939  -1.705
   97    HA   ARG  15           HA       ARG  15  12.740   0.127   0.489
   98   1HB   ARG  15          HB2       ARG  15  12.888  -2.038  -0.657
   99   2HB   ARG  15          HB3       ARG  15  11.224  -1.485  -0.537
  100   1HG   ARG  15          HG2       ARG  15  11.214  -0.846  -2.849
  101   2HG   ARG  15          HG3       ARG  15  12.937  -1.197  -2.993
  102   1HD   ARG  15          HD2       ARG  15  12.365  -3.247  -3.642
  103   2HD   ARG  15          HD3       ARG  15  11.831  -3.537  -1.987
  104    HE   ARG  15           HE       ARG  15   9.607  -3.059  -2.652
  105   1HH1  ARG  15          HH12      ARG  15  11.861  -3.091  -5.333
  106   2HH1  ARG  15          HH11      ARG  15  10.622  -3.296  -6.532
  107   1HH2  ARG  15          HH22      ARG  15   7.985  -3.335  -4.230
  108   2HH2  ARG  15          HH21      ARG  15   8.426  -3.436  -5.909
  109    H    SER  16           HN       SER  16  13.244   0.924  -2.906
  110    HA   SER  16           HA       SER  16  16.092   0.488  -2.752
  111   1HB   SER  16          HB2       SER  16  15.045   2.028  -5.032
  112   2HB   SER  16          HB3       SER  16  16.041   0.570  -5.013
  113    HG   SER  16           HG       SER  16  13.545   0.680  -5.651
  114    H    ARG  17           HN       ARG  17  14.208   2.755  -1.459
  115    HA   ARG  17           HA       ARG  17  15.599   5.170  -2.046
  116   1HB   ARG  17          HB2       ARG  17  13.291   4.718  -0.829
  117   2HB   ARG  17          HB3       ARG  17  14.302   4.689   0.608
  118   1HG   ARG  17          HG2       ARG  17  14.832   6.964  -1.121
  119   2HG   ARG  17          HG3       ARG  17  13.172   6.904  -0.526
  120   1HD   ARG  17          HD2       ARG  17  13.801   7.496   1.532
  121   2HD   ARG  17          HD3       ARG  17  15.090   6.292   1.556
  122    HE   ARG  17           HE       ARG  17  16.597   7.906   0.909
  123   1HH1  ARG  17          HH12      ARG  17  13.336   9.174   0.679
  124   2HH1  ARG  17          HH11      ARG  17  13.852  10.803   0.387
  125   1HH2  ARG  17          HH22      ARG  17  17.286  10.055   0.539
  126   2HH2  ARG  17          HH21      ARG  17  16.096  11.310   0.295
  127    H    TYR  18           HN       TYR  18  16.245   2.400  -0.228
  128    HA   TYR  18           HA       TYR  18  18.501   3.695   1.138
  129   1HB   TYR  18          HB2       TYR  18  17.118   1.113   1.907
  130   2HB   TYR  18          HB3       TYR  18  18.362   1.957   2.822
  131    HD1  TYR  18           HD1      TYR  18  14.864   2.337   1.564
  132    HD2  TYR  18           HD2      TYR  18  17.765   3.533   4.438
  133    HE1  TYR  18           HE1      TYR  18  13.125   3.536   2.812
  134    HE2  TYR  18           HE2      TYR  18  16.030   4.745   5.687
  135    HH   TYR  18           HH       TYR  18  13.816   5.768   5.252
  136    H    ARG  19           HN       ARG  19  20.375   2.083   1.449
  137    HA   ARG  19           HA       ARG  19  20.956   1.186  -1.251
  138   1HB   ARG  19          HB2       ARG  19  22.594   1.813   1.165
  139   2HB   ARG  19          HB3       ARG  19  23.287   0.811  -0.103
  140   1HG   ARG  19          HG2       ARG  19  22.798   3.683  -0.033
  141   2HG   ARG  19          HG3       ARG  19  23.944   2.748  -0.994
  142   1HD   ARG  19          HD2       ARG  19  20.996   2.940  -1.594
  143   2HD   ARG  19          HD3       ARG  19  22.213   3.992  -2.312
  144    HE   ARG  19           HE       ARG  19  23.215   1.707  -3.048
  145   1HH1  ARG  19          HH12      ARG  19  19.822   2.578  -2.925
  146   2HH1  ARG  19          HH11      ARG  19  19.367   1.466  -4.179
  147   1HH2  ARG  19          HH22      ARG  19  22.628   0.281  -4.727
  148   2HH2  ARG  19          HH21      ARG  19  20.961   0.166  -5.220
  149    H    GLY  20           HN       GLY  20  20.589  -0.204   1.960
  150   1HA   GLY  20          HA1       GLY  20  21.136  -2.847   0.748
  151   2HA   GLY  20          HA2       GLY  20  21.583  -2.443   2.397
  152    H    LEU  21           HN       LEU  21  18.546  -1.800   0.657
  153    HA   LEU  21           HA       LEU  21  16.372  -2.130   1.316
  154   1HB   LEU  21          HB2       LEU  21  17.701  -4.779   1.701
  155   2HB   LEU  21          HB3       LEU  21  16.038  -4.579   2.222
  156    HG   LEU  21           HG       LEU  21  16.579  -3.654  -0.518
  157   1HD1  LEU  21          HD11      LEU  21  17.416  -5.508  -1.408
  158   2HD1  LEU  21          HD12      LEU  21  17.750  -6.064   0.232
  159   3HD1  LEU  21          HD13      LEU  21  16.241  -6.517  -0.562
  160   1HD2  LEU  21          HD21      LEU  21  14.340  -3.722   0.431
  161   2HD2  LEU  21          HD22      LEU  21  14.475  -4.835  -0.931
  162   3HD2  LEU  21          HD23      LEU  21  14.502  -5.453   0.722
  163    H    GLU  22           HN       GLU  22  17.470  -0.600   3.041
  164    HA   GLU  22           HA       GLU  22  17.080  -1.553   5.718
  165   1HB   GLU  22          HB2       GLU  22  18.007   0.895   4.457
  166   2HB   GLU  22          HB3       GLU  22  16.873   1.235   5.757
  167   1HG   GLU  22          HG2       GLU  22  19.233   1.213   6.478
  168   2HG   GLU  22          HG3       GLU  22  18.224   0.046   7.332
  169    H    ASP  23           HN       ASP  23  15.066  -2.452   5.605
  170    HA   ASP  23           HA       ASP  23  12.698  -1.124   4.868
  171   1HB   ASP  23          HB2       ASP  23  13.438  -3.617   6.184
  172   2HB   ASP  23          HB3       ASP  23  11.956  -2.932   6.842
  173    H    ASN  24           HN       ASN  24  13.895   0.839   6.130
  174    HA   ASN  24           HA       ASN  24  13.170   1.020   8.923
  175   1HB   ASN  24          HB2       ASN  24  15.159   2.135   7.511
  176   2HB   ASN  24          HB3       ASN  24  13.983   3.441   7.406
  177   1HD2  ASN  24          HD21      ASN  24  14.894   4.898   8.714
  178   2HD2  ASN  24          HD22      ASN  24  15.227   4.649  10.393
  179    H    ARG  25           HN       ARG  25  10.901   0.541   7.481
  180    HA   ARG  25           HA       ARG  25   9.408   3.024   7.928
  181   1HB   ARG  25          HB2       ARG  25   9.065   1.214   5.525
  182   2HB   ARG  25          HB3       ARG  25   7.981   2.532   5.950
  183   1HG   ARG  25          HG2       ARG  25   9.380   4.119   5.198
  184   2HG   ARG  25          HG3       ARG  25  10.833   3.222   5.639
  185   1HD   ARG  25          HD2       ARG  25   9.109   2.171   3.446
  186   2HD   ARG  25          HD3       ARG  25  10.146   3.558   3.113
  187    HE   ARG  25           HE       ARG  25  12.036   2.165   3.802
  188   1HH1  ARG  25          HH12      ARG  25   9.077   0.582   2.783
  189   2HH1  ARG  25          HH11      ARG  25   9.839  -0.951   2.536
  190   1HH2  ARG  25          HH22      ARG  25  13.042   0.143   3.439
  191   2HH2  ARG  25          HH21      ARG  25  12.081  -1.223   2.948
  192    H    HIS  26           HN       HIS  26   7.353   0.982   6.565
  193    HA   HIS  26           HA       HIS  26   7.004  -1.035   8.542
  194   1HB   HIS  26          HB2       HIS  26   5.974   1.213   9.482
  195   2HB   HIS  26          HB3       HIS  26   4.675   0.858   8.348
  196    HD2  HIS  26           HD2      HIS  26   3.669   0.794  11.269
  197    HE1  HIS  26           HE1      HIS  26   4.293  -3.390  11.189
  198    HE2  HIS  26           HE2      HIS  26   3.299  -1.464  12.501
  199    H    PHE  27           HN       PHE  27   5.417  -2.570   7.817
  200    HA   PHE  27           HA       PHE  27   4.616  -2.107   5.027
  201   1HB   PHE  27          HB2       PHE  27   6.059  -4.383   6.256
  202   2HB   PHE  27          HB3       PHE  27   4.822  -4.789   5.067
  203    HD1  PHE  27           HD1      PHE  27   8.016  -3.089   5.622
  204    HD2  PHE  27           HD2      PHE  27   5.097  -4.231   2.749
  205    HE1  PHE  27           HE1      PHE  27   9.588  -2.547   3.817
  206    HE2  PHE  27           HE2      PHE  27   6.672  -3.701   0.934
  207    HZ   PHE  27           HZ       PHE  27   8.916  -2.849   1.469
  208    H    TYR  28           HN       TYR  28   2.557  -2.134   4.715
  209    HA   TYR  28           HA       TYR  28   0.791  -3.157   6.799
  210   1HB   TYR  28          HB2       TYR  28   0.407  -1.388   4.396
  211   2HB   TYR  28          HB3       TYR  28  -0.972  -2.084   5.238
  212    HD1  TYR  28           HD1      TYR  28  -0.274   0.874   4.866
  213    HD2  TYR  28           HD2      TYR  28   0.464  -1.868   8.032
  214    HE1  TYR  28           HE1      TYR  28  -0.236   2.740   6.465
  215    HE2  TYR  28           HE2      TYR  28   0.508  -0.009   9.639
  216    HH   TYR  28           HH       TYR  28   0.424   3.335   8.594
  217    H    ARG  29           HN       ARG  29  -0.630  -4.814   6.531
  218    HA   ARG  29           HA       ARG  29  -0.352  -6.501   4.188
  219   1HB   ARG  29          HB2       ARG  29  -2.589  -7.241   5.858
  220   2HB   ARG  29          HB3       ARG  29  -1.121  -8.142   5.515
  221   1HG   ARG  29          HG2       ARG  29  -1.077  -5.940   7.533
  222   2HG   ARG  29          HG3       ARG  29  -1.733  -7.521   7.958
  223   1HD   ARG  29          HD2       ARG  29   0.860  -7.562   6.568
  224   2HD   ARG  29          HD3       ARG  29   0.879  -6.848   8.180
  225    HE   ARG  29           HE       ARG  29  -0.506  -9.172   8.504
  226   1HH1  ARG  29          HH12      ARG  29   2.687  -8.321   7.326
  227   2HH1  ARG  29          HH11      ARG  29   3.370  -9.879   7.698
  228   1HH2  ARG  29          HH22      ARG  29   0.413 -11.200   9.029
  229   2HH2  ARG  29          HH21      ARG  29   2.090 -11.494   8.692
  230    H    ILE  30           HN       ILE  30  -2.038  -6.923   2.704
  231    HA   ILE  30           HA       ILE  30  -3.441  -4.658   1.865
  232    HB   ILE  30           HB       ILE  30  -4.117  -7.498   1.111
  233   1HG1  ILE  30          HG12      ILE  30  -1.690  -7.103   0.913
  234   2HG1  ILE  30          HG13      ILE  30  -2.446  -7.293  -0.666
  235   1HG2  ILE  30          HG21      ILE  30  -5.752  -6.149   0.170
  236   2HG2  ILE  30          HG22      ILE  30  -4.634  -4.813  -0.104
  237   3HG2  ILE  30          HG23      ILE  30  -4.552  -6.251  -1.119
  238   1HD1  ILE  30          HD11      ILE  30  -0.924  -5.093   0.396
  239   2HD1  ILE  30          HD12      ILE  30  -1.421  -5.423  -1.264
  240   3HD1  ILE  30          HD13      ILE  30  -2.503  -4.556  -0.175
  241    HA   PRO  31           HA       PRO  31  -6.808  -4.822   4.817
  242   1HB   PRO  31          HB2       PRO  31  -7.735  -2.554   3.136
  243   2HB   PRO  31          HB3       PRO  31  -7.465  -2.634   4.885
  244   1HG   PRO  31          HG2       PRO  31  -5.752  -1.309   3.362
  245   2HG   PRO  31          HG3       PRO  31  -5.158  -2.360   4.665
  246   1HD   PRO  31          HD2       PRO  31  -5.350  -2.965   1.726
  247   2HD   PRO  31          HD3       PRO  31  -3.976  -3.206   2.829
  248    H    LYS  32           HN       LYS  32  -7.644  -6.770   3.973
  249    HA   LYS  32           HA       LYS  32  -9.382  -6.787   1.680
  250   1HB   LYS  32          HB2       LYS  32  -9.948  -9.129   2.793
  251   2HB   LYS  32          HB3       LYS  32  -8.440  -8.869   1.924
  252   1HG   LYS  32          HG2       LYS  32  -7.312  -8.425   4.072
  253   2HG   LYS  32          HG3       LYS  32  -8.828  -8.762   4.914
  254   1HD   LYS  32          HD2       LYS  32  -8.508 -10.966   4.780
  255   2HD   LYS  32          HD3       LYS  32  -8.127 -10.878   3.059
  256   1HE   LYS  32          HE2       LYS  32  -5.852  -9.901   3.973
  257   2HE   LYS  32          HE3       LYS  32  -6.318 -10.789   5.423
  258   1HZ   LYS  32          HZ1       LYS  32  -4.910 -11.938   3.588
  259   2HZ   LYS  32          HZ2       LYS  32  -6.408 -12.148   2.816
  260   3HZ   LYS  32          HZ3       LYS  32  -6.151 -12.798   4.358
  261    H    ARG  33           HN       ARG  33  -9.902  -5.111   4.167
  262    HA   ARG  33           HA       ARG  33 -12.742  -5.680   4.370
  263   1HB   ARG  33          HB2       ARG  33 -10.904  -6.383   6.440
  264   2HB   ARG  33          HB3       ARG  33 -11.853  -5.016   7.005
  265   1HG   ARG  33          HG2       ARG  33 -13.891  -6.374   6.231
  266   2HG   ARG  33          HG3       ARG  33 -12.781  -7.746   6.199
  267   1HD   ARG  33          HD2       ARG  33 -13.048  -5.980   8.615
  268   2HD   ARG  33          HD3       ARG  33 -14.127  -7.347   8.343
  269    HE   ARG  33           HE       ARG  33 -12.007  -8.716   8.256
  270   1HH1  ARG  33          HH12      ARG  33 -12.321  -5.798  10.161
  271   2HH1  ARG  33          HH11      ARG  33 -11.040  -6.219  11.260
  272   1HH2  ARG  33          HH22      ARG  33 -10.329  -9.295   9.705
  273   2HH2  ARG  33          HH21      ARG  33  -9.910  -8.216  11.007
  274    HA   PRO  34           HA       PRO  34 -14.281  -4.819   3.964
  275   1HB   PRO  34          HB2       PRO  34 -15.616  -3.134   2.371
  276   2HB   PRO  34          HB3       PRO  34 -15.768  -3.056   4.131
  277   1HG   PRO  34          HG2       PRO  34 -14.114  -1.359   2.298
  278   2HG   PRO  34          HG3       PRO  34 -15.117  -0.868   3.675
  279   1HD   PRO  34          HD2       PRO  34 -12.400  -1.191   3.809
  280   2HD   PRO  34          HD3       PRO  34 -13.489  -1.379   5.198
  281    H    LEU  35           HN       LEU  35 -15.063  -5.401   1.725
  282    HA   LEU  35           HA       LEU  35 -12.874  -6.224   0.179
  283   1HB   LEU  35          HB2       LEU  35 -15.757  -6.511   0.147
  284   2HB   LEU  35          HB3       LEU  35 -15.113  -6.372  -1.477
  285    HG   LEU  35           HG       LEU  35 -15.256  -8.673   0.118
  286   1HD1  LEU  35          HD11      LEU  35 -13.698  -9.414  -1.952
  287   2HD1  LEU  35          HD12      LEU  35 -15.440  -9.161  -2.064
  288   3HD1  LEU  35          HD13      LEU  35 -14.329  -7.882  -2.555
  289   1HD2  LEU  35          HD21      LEU  35 -13.107  -7.787   1.140
  290   2HD2  LEU  35          HD22      LEU  35 -13.058  -9.418   0.473
  291   3HD2  LEU  35          HD23      LEU  35 -12.365  -8.072  -0.434
  292    H    ILE  36           HN       ILE  36 -15.164  -3.563  -0.298
  293    HA   ILE  36           HA       ILE  36 -14.332  -2.889  -2.912
  294    HB   ILE  36           HB       ILE  36 -15.731  -1.282  -0.779
  295   1HG1  ILE  36          HG12      ILE  36 -17.087  -3.038  -1.692
  296   2HG1  ILE  36          HG13      ILE  36 -17.645  -1.524  -2.398
  297   1HG2  ILE  36          HG21      ILE  36 -15.376   0.612  -1.878
  298   2HG2  ILE  36          HG22      ILE  36 -14.370  -0.245  -3.046
  299   3HG2  ILE  36          HG23      ILE  36 -16.104  -0.090  -3.324
  300   1HD1  ILE  36          HD11      ILE  36 -16.407  -3.865  -3.660
  301   2HD1  ILE  36          HD12      ILE  36 -17.564  -2.701  -4.306
  302   3HD1  ILE  36          HD13      ILE  36 -15.846  -2.302  -4.255
  303    H    LEU  37           HN       LEU  37 -13.214  -1.843   0.269
  304    HA   LEU  37           HA       LEU  37 -11.463   0.188  -0.602
  305   1HB   LEU  37          HB2       LEU  37 -11.909   0.201   1.683
  306   2HB   LEU  37          HB3       LEU  37 -11.638  -1.523   1.849
  307    HG   LEU  37           HG       LEU  37  -9.165  -0.886   1.240
  308   1HD1  LEU  37          HD11      LEU  37  -8.989   1.320   0.865
  309   2HD1  LEU  37          HD12      LEU  37 -10.446   1.699   1.784
  310   3HD1  LEU  37          HD13      LEU  37  -8.923   1.410   2.626
  311   1HD2  LEU  37          HD21      LEU  37 -10.452  -0.414   3.921
  312   2HD2  LEU  37          HD22      LEU  37  -9.777  -1.926   3.313
  313   3HD2  LEU  37          HD23      LEU  37  -8.714  -0.561   3.659
  314    H    ARG  38           HN       ARG  38 -10.930  -3.238   0.097
  315    HA   ARG  38           HA       ARG  38  -8.234  -3.386  -0.637
  316   1HB   ARG  38          HB2       ARG  38  -8.904  -5.275   0.462
  317   2HB   ARG  38          HB3       ARG  38 -10.486  -5.289  -0.301
  318   1HG   ARG  38          HG2       ARG  38  -8.822  -5.862  -2.398
  319   2HG   ARG  38          HG3       ARG  38  -8.029  -6.668  -1.042
  320   1HD   ARG  38          HD2       ARG  38  -9.472  -8.319  -1.644
  321   2HD   ARG  38          HD3       ARG  38 -10.506  -7.434  -0.527
  322    HE   ARG  38           HE       ARG  38 -11.305  -6.254  -2.654
  323   1HH1  ARG  38          HH12      ARG  38 -10.337  -9.613  -2.475
  324   2HH1  ARG  38          HH11      ARG  38 -11.290 -10.096  -3.849
  325   1HH2  ARG  38          HH22      ARG  38 -12.602  -6.895  -4.438
  326   2HH2  ARG  38          HH21      ARG  38 -12.620  -8.559  -4.934
  327    H    GLN  39           HN       GLN  39 -11.180  -3.555  -2.538
  328    HA   GLN  39           HA       GLN  39 -10.057  -4.409  -4.974
  329   1HB   GLN  39          HB2       GLN  39 -12.547  -4.123  -4.189
  330   2HB   GLN  39          HB3       GLN  39 -12.374  -2.525  -4.897
  331   1HG   GLN  39          HG2       GLN  39 -12.288  -3.311  -7.013
  332   2HG   GLN  39          HG3       GLN  39 -11.534  -4.831  -6.536
  333   1HE2  GLN  39          HE21      GLN  39 -14.389  -3.295  -7.416
  334   2HE2  GLN  39          HE22      GLN  39 -15.491  -4.584  -7.061
  335    H    ARG  40           HN       ARG  40 -10.539  -1.200  -3.583
  336    HA   ARG  40           HA       ARG  40  -9.630   0.179  -5.916
  337   1HB   ARG  40          HB2       ARG  40 -10.150   1.055  -3.078
  338   2HB   ARG  40          HB3       ARG  40  -9.527   2.155  -4.301
  339   1HG   ARG  40          HG2       ARG  40 -11.946   0.630  -5.029
  340   2HG   ARG  40          HG3       ARG  40 -12.133   1.847  -3.766
  341   1HD   ARG  40          HD2       ARG  40 -12.612   2.843  -5.911
  342   2HD   ARG  40          HD3       ARG  40 -11.108   3.518  -5.281
  343    HE   ARG  40           HE       ARG  40 -10.639   1.276  -6.985
  344   1HH1  ARG  40          HH12      ARG  40 -11.448   4.684  -7.035
  345   2HH1  ARG  40          HH11      ARG  40 -10.708   4.963  -8.587
  346   1HH2  ARG  40          HH22      ARG  40  -9.638   1.644  -8.989
  347   2HH2  ARG  40          HH21      ARG  40  -9.686   3.229  -9.707
  348    H    TRP  41           HN       TRP  41  -8.145  -1.107  -3.053
  349    HA   TRP  41           HA       TRP  41  -5.663   0.190  -3.107
  350   1HB   TRP  41          HB2       TRP  41  -6.786  -2.259  -1.940
  351   2HB   TRP  41          HB3       TRP  41  -5.062  -2.366  -2.273
  352    HD1  TRP  41           HD1      TRP  41  -7.366   0.308  -0.635
  353    HE1  TRP  41           HE1      TRP  41  -6.170   1.182   1.469
  354    HE3  TRP  41           HE3      TRP  41  -3.098  -2.486  -0.916
  355    HZ2  TRP  41           HZ2      TRP  41  -3.736   0.744   2.831
  356    HZ3  TRP  41           HZ3      TRP  41  -1.384  -2.202   0.826
  357    HH2  TRP  41           HH2      TRP  41  -1.699  -0.618   2.661
  358    H    LEU  42           HN       LEU  42  -6.886  -2.592  -4.895
  359    HA   LEU  42           HA       LEU  42  -4.503  -3.539  -6.005
  360   1HB   LEU  42          HB2       LEU  42  -7.130  -3.575  -7.456
  361   2HB   LEU  42          HB3       LEU  42  -5.832  -4.749  -7.535
  362    HG   LEU  42           HG       LEU  42  -7.550  -4.286  -5.100
  363   1HD1  LEU  42          HD11      LEU  42  -7.736  -6.736  -6.773
  364   2HD1  LEU  42          HD12      LEU  42  -8.946  -5.979  -5.738
  365   3HD1  LEU  42          HD13      LEU  42  -8.571  -5.281  -7.314
  366   1HD2  LEU  42          HD21      LEU  42  -6.341  -6.843  -5.197
  367   2HD2  LEU  42          HD22      LEU  42  -5.086  -5.640  -5.496
  368   3HD2  LEU  42          HD23      LEU  42  -6.070  -5.543  -4.036
  369    H    THR  43           HN       THR  43  -6.443  -0.808  -6.858
  370    HA   THR  43           HA       THR  43  -5.893  -0.539  -9.566
  371    HB   THR  43           HB       THR  43  -6.580   1.477  -7.437
  372    HG1  THR  43           HG1      THR  43  -7.937  -0.242  -9.112
  373   1HG2  THR  43          HG21      THR  43  -7.244   2.443 -10.039
  374   2HG2  THR  43          HG22      THR  43  -5.521   2.072 -10.004
  375   3HG2  THR  43          HG23      THR  43  -6.204   3.187  -8.818
  376    H    ALA  44           HN       ALA  44  -4.060   0.723  -6.782
  377    HA   ALA  44           HA       ALA  44  -2.322   2.238  -8.517
  378   1HB   ALA  44          HB1       ALA  44  -1.571   3.279  -6.658
  379   2HB   ALA  44          HB2       ALA  44  -3.114   2.689  -6.040
  380   3HB   ALA  44          HB3       ALA  44  -1.625   1.815  -5.676
  381    H    ILE  45           HN       ILE  45  -2.237  -0.858  -6.952
  382    HA   ILE  45           HA       ILE  45   0.615  -1.182  -7.397
  383    HB   ILE  45           HB       ILE  45  -0.404  -3.700  -6.778
  384   1HG1  ILE  45          HG12      ILE  45  -1.661  -1.720  -4.892
  385   2HG1  ILE  45          HG13      ILE  45  -2.548  -2.412  -6.233
  386   1HG2  ILE  45          HG21      ILE  45   1.664  -2.836  -5.946
  387   2HG2  ILE  45          HG22      ILE  45   0.827  -1.579  -5.035
  388   3HG2  ILE  45          HG23      ILE  45   0.648  -3.269  -4.571
  389   1HD1  ILE  45          HD11      ILE  45  -1.954  -4.676  -5.287
  390   2HD1  ILE  45          HD12      ILE  45  -1.416  -3.817  -3.843
  391   3HD1  ILE  45          HD13      ILE  45  -3.098  -3.706  -4.359
  392    H    GLY  46           HN       GLY  46  -2.197  -1.542  -9.181
  393   1HA   GLY  46          HA1       GLY  46  -2.649  -2.457 -11.234
  394   2HA   GLY  46          HA2       GLY  46  -0.909  -2.622 -11.444
  395    H    ARG  47           HN       ARG  47  -2.808  -4.102  -8.883
  396    HA   ARG  47           HA       ARG  47  -2.115  -6.734 -10.022
  397   1HB   ARG  47          HB2       ARG  47  -1.461  -5.637  -7.513
  398   2HB   ARG  47          HB3       ARG  47  -2.710  -6.834  -7.200
  399   1HG   ARG  47          HG2       ARG  47  -1.246  -8.476  -7.412
  400   2HG   ARG  47          HG3       ARG  47  -0.803  -7.918  -9.026
  401   1HD   ARG  47          HD2       ARG  47   0.322  -6.871  -6.430
  402   2HD   ARG  47          HD3       ARG  47   1.133  -7.995  -7.522
  403    HE   ARG  47           HE       ARG  47   0.385  -5.262  -8.344
  404   1HH1  ARG  47          HH12      ARG  47   2.708  -7.866  -8.145
  405   2HH1  ARG  47          HH11      ARG  47   3.915  -7.032  -9.071
  406   1HH2  ARG  47          HH22      ARG  47   1.936  -4.187  -9.615
  407   2HH2  ARG  47          HH21      ARG  47   3.465  -4.955  -9.944
  408    H    THR  48           HN       THR  48  -3.585  -8.508  -9.121
  409    HA   THR  48           HA       THR  48  -6.367  -7.542  -9.003
  410    HB   THR  48           HB       THR  48  -5.959 -10.412  -9.533
  411    HG1  THR  48           HG1      THR  48  -4.667  -8.476 -11.045
  412   1HG2  THR  48          HG21      THR  48  -7.402  -9.043 -11.569
  413   2HG2  THR  48          HG22      THR  48  -7.896  -8.386 -10.009
  414   3HG2  THR  48          HG23      THR  48  -8.026 -10.118 -10.317
  415    H    GLU  49           HN       GLU  49  -7.732  -9.404  -7.797
  416    HA   GLU  49           HA       GLU  49  -6.836  -9.217  -5.103
  417   1HB   GLU  49          HB2       GLU  49  -8.867 -10.580  -4.583
  418   2HB   GLU  49          HB3       GLU  49  -9.189  -9.113  -5.494
  419   1HG   GLU  49          HG2       GLU  49  -9.473 -10.367  -7.517
  420   2HG   GLU  49          HG3       GLU  49  -8.972 -11.856  -6.716
  421    H    GLU  50           HN       GLU  50  -6.715 -11.712  -7.529
  422    HA   GLU  50           HA       GLU  50  -6.035 -13.810  -5.687
  423   1HB   GLU  50          HB2       GLU  50  -6.055 -13.586  -8.689
  424   2HB   GLU  50          HB3       GLU  50  -5.450 -15.018  -7.868
  425   1HG   GLU  50          HG2       GLU  50  -7.875 -14.661  -6.672
  426   2HG   GLU  50          HG3       GLU  50  -8.188 -14.121  -8.322
  427    H    THR  51           HN       THR  51  -4.373 -11.222  -7.011
  428    HA   THR  51           HA       THR  51  -1.781 -12.587  -6.712
  429    HB   THR  51           HB       THR  51  -1.184 -10.244  -7.982
  430    HG1  THR  51           HG1      THR  51  -3.504 -11.156  -9.335
  431   1HG2  THR  51          HG21      THR  51  -0.648 -11.566  -9.816
  432   2HG2  THR  51          HG22      THR  51  -2.038 -12.626  -9.584
  433   3HG2  THR  51          HG23      THR  51  -0.655 -12.734  -8.495
  434    H    VAL  52           HN       VAL  52  -3.754 -10.913  -4.882
  435    HA   VAL  52           HA       VAL  52  -1.660  -9.178  -3.749
  436    HB   VAL  52           HB       VAL  52  -3.722  -8.111  -4.977
  437   1HG1  VAL  52          HG11      VAL  52  -4.848  -8.898  -2.309
  438   2HG1  VAL  52          HG12      VAL  52  -5.478  -7.531  -3.227
  439   3HG1  VAL  52          HG13      VAL  52  -5.534  -9.154  -3.914
  440   1HG2  VAL  52          HG21      VAL  52  -1.926  -6.934  -3.736
  441   2HG2  VAL  52          HG22      VAL  52  -3.502  -6.150  -3.629
  442   3HG2  VAL  52          HG23      VAL  52  -2.894  -7.095  -2.270
  443    H    VAL  53           HN       VAL  53  -3.578 -11.817  -3.218
  444    HA   VAL  53           HA       VAL  53  -4.602 -11.148  -0.664
  445    HB   VAL  53           HB       VAL  53  -4.928 -13.782  -0.605
  446   1HG1  VAL  53          HG11      VAL  53  -6.728 -12.163  -0.673
  447   2HG1  VAL  53          HG12      VAL  53  -6.458 -11.893  -2.397
  448   3HG1  VAL  53          HG13      VAL  53  -7.044 -13.458  -1.829
  449   1HG2  VAL  53          HG21      VAL  53  -5.226 -13.684  -3.493
  450   2HG2  VAL  53          HG22      VAL  53  -3.544 -13.529  -2.988
  451   3HG2  VAL  53          HG23      VAL  53  -4.492 -14.924  -2.475
  452    H    SER  54           HN       SER  54  -2.933 -10.562   0.657
  453    HA   SER  54           HA       SER  54  -1.767 -10.950   2.554
  454   1HB   SER  54          HB2       SER  54  -1.880 -13.907   2.009
  455   2HB   SER  54          HB3       SER  54  -1.688 -13.091   3.560
  456    HG   SER  54           HG       SER  54  -3.953 -13.757   2.239
  457    H    GLN  55           HN       GLN  55  -0.706 -12.617  -0.344
  458    HA   GLN  55           HA       GLN  55   1.989 -12.999   0.475
  459   1HB   GLN  55          HB2       GLN  55   0.596 -13.937  -1.607
  460   2HB   GLN  55          HB3       GLN  55   1.368 -12.575  -2.406
  461   1HG   GLN  55          HG2       GLN  55   3.247 -14.111  -0.825
  462   2HG   GLN  55          HG3       GLN  55   2.433 -15.098  -2.037
  463   1HE2  GLN  55          HE21      GLN  55   4.164 -12.031  -1.644
  464   2HE2  GLN  55          HE22      GLN  55   4.908 -12.058  -3.206
  465    H    LEU  56           HN       LEU  56   0.203 -10.288  -0.660
  466    HA   LEU  56           HA       LEU  56   2.614  -8.827  -1.404
  467   1HB   LEU  56          HB2       LEU  56  -0.009  -8.837  -2.347
  468   2HB   LEU  56          HB3       LEU  56   0.152  -7.309  -1.501
  469    HG   LEU  56           HG       LEU  56   2.339  -7.064  -2.910
  470   1HD1  LEU  56          HD11      LEU  56   1.705  -9.537  -3.764
  471   2HD1  LEU  56          HD12      LEU  56   0.919  -8.560  -5.004
  472   3HD1  LEU  56          HD13      LEU  56   2.646  -8.379  -4.705
  473   1HD2  LEU  56          HD21      LEU  56  -0.419  -6.372  -3.338
  474   2HD2  LEU  56          HD22      LEU  56   1.036  -5.434  -3.676
  475   3HD2  LEU  56          HD23      LEU  56   0.415  -6.565  -4.879
  476    H    ARG  57           HN       ARG  57   3.439  -7.177  -0.278
  477    HA   ARG  57           HA       ARG  57   1.943  -6.145   2.030
  478   1HB   ARG  57          HB2       ARG  57   4.381  -7.618   2.103
  479   2HB   ARG  57          HB3       ARG  57   4.757  -5.950   2.508
  480   1HG   ARG  57          HG2       ARG  57   4.237  -6.591   4.588
  481   2HG   ARG  57          HG3       ARG  57   2.575  -6.347   4.048
  482   1HD   ARG  57          HD2       ARG  57   2.650  -8.473   5.097
  483   2HD   ARG  57          HD3       ARG  57   2.552  -8.764   3.363
  484    HE   ARG  57           HE       ARG  57   4.949  -9.126   5.048
  485   1HH1  ARG  57          HH12      ARG  57   3.203  -9.660   2.062
  486   2HH1  ARG  57          HH11      ARG  57   4.348 -10.800   1.436
  487   1HH2  ARG  57          HH22      ARG  57   6.471 -10.648   4.233
  488   2HH2  ARG  57          HH21      ARG  57   6.211 -11.362   2.665
  489    H    ILE  58           HN       ILE  58   2.078  -3.923   2.292
  490    HA   ILE  58           HA       ILE  58   3.560  -2.499   0.169
  491    HB   ILE  58           HB       ILE  58   0.827  -1.831   1.276
  492   1HG1  ILE  58          HG12      ILE  58   0.813  -3.726  -0.291
  493   2HG1  ILE  58          HG13      ILE  58   0.011  -2.319  -0.981
  494   1HG2  ILE  58          HG21      ILE  58   2.721  -0.086   0.246
  495   2HG2  ILE  58          HG22      ILE  58   1.613  -0.380  -1.093
  496   3HG2  ILE  58          HG23      ILE  58   0.996   0.221   0.446
  497   1HD1  ILE  58          HD11      ILE  58   1.511  -2.126  -2.637
  498   2HD1  ILE  58          HD12      ILE  58   2.871  -2.564  -1.603
  499   3HD1  ILE  58          HD13      ILE  58   1.831  -3.822  -2.273
  500    H    CYS  59           HN       CYS  59   4.751  -0.750   0.783
  501    HA   CYS  59           HA       CYS  59   5.349  -0.352   3.516
  502   1HB   CYS  59          HB2       CYS  59   5.913   1.670   1.362
  503   2HB   CYS  59          HB3       CYS  59   6.849   1.334   2.812
  504    H    SER  60           HN       SER  60   4.734   1.208   4.957
  505    HA   SER  60           HA       SER  60   2.320   2.649   4.525
  506   1HB   SER  60          HB2       SER  60   4.304   3.326   6.682
  507   2HB   SER  60          HB3       SER  60   2.542   3.393   6.740
  508    HG   SER  60           HG       SER  60   2.881   1.540   7.738
  509    H    ALA  61           HN       ALA  61   5.435   3.195   3.481
  510    HA   ALA  61           HA       ALA  61   5.520   6.050   3.614
  511   1HB   ALA  61          HB1       ALA  61   7.461   4.351   3.307
  512   2HB   ALA  61          HB2       ALA  61   7.043   4.447   1.595
  513   3HB   ALA  61          HB3       ALA  61   7.529   5.901   2.469
  514    H    HIS  62           HN       HIS  62   3.695   3.906   1.820
  515    HA   HIS  62           HA       HIS  62   3.589   5.489  -0.609
  516   1HB   HIS  62          HB2       HIS  62   2.155   2.972   0.252
  517   2HB   HIS  62          HB3       HIS  62   1.892   3.759  -1.301
  518    HD1  HIS  62           HD1      HIS  62   3.972   3.748  -2.983
  519    HD2  HIS  62           HD2      HIS  62   4.379   1.378   0.421
  520    HE1  HIS  62           HE1      HIS  62   5.941   2.195  -3.407
  521    H    PHE  63           HN       PHE  63   2.568   6.286   2.188
  522    HA   PHE  63           HA       PHE  63   0.001   7.354   1.242
  523   1HB   PHE  63          HB2       PHE  63   0.567   6.503   4.093
  524   2HB   PHE  63          HB3       PHE  63  -0.955   7.119   3.462
  525    HD1  PHE  63           HD1      PHE  63  -2.284   5.739   1.892
  526    HD2  PHE  63           HD2      PHE  63   1.149   4.224   3.895
  527    HE1  PHE  63           HE1      PHE  63  -3.002   3.444   1.380
  528    HE2  PHE  63           HE2      PHE  63   0.434   1.927   3.394
  529    HZ   PHE  63           HZ       PHE  63  -1.644   1.535   2.131
  530    H    GLU  64           HN       GLU  64  -0.580   9.408   2.186
  531    HA   GLU  64           HA       GLU  64   1.683  11.114   2.645
  532   1HB   GLU  64          HB2       GLU  64  -0.250  12.819   3.090
  533   2HB   GLU  64          HB3       GLU  64   0.041  12.235   1.458
  534   1HG   GLU  64          HG2       GLU  64  -1.880  10.991   1.412
  535   2HG   GLU  64          HG3       GLU  64  -1.909  10.775   3.161
  536    H    GLY  65           HN       GLY  65   2.578  10.243   4.535
  537   1HA   GLY  65          HA1       GLY  65   2.748  10.985   6.875
  538   2HA   GLY  65          HA2       GLY  65   1.010  10.741   6.990
  539    H    GLY  66           HN       GLY  66   0.990   8.292   5.477
  540   1HA   GLY  66          HA1       GLY  66   1.943   6.092   5.589
  541   2HA   GLY  66          HA2       GLY  66   2.612   6.507   7.161
  542    H    GLU  67           HN       GLU  67  -0.538   7.615   6.864
  543    HA   GLU  67           HA       GLU  67  -1.418   5.503   8.667
  544   1HB   GLU  67          HB2       GLU  67  -3.479   7.208   8.722
  545   2HB   GLU  67          HB3       GLU  67  -2.042   7.413   9.712
  546   1HG   GLU  67          HG2       GLU  67  -1.495   9.314   8.705
  547   2HG   GLU  67          HG3       GLU  67  -1.760   8.637   7.098
  548    H    LYS  68           HN       LYS  68  -2.377   3.826   7.810
  549    HA   LYS  68           HA       LYS  68  -4.213   4.160   5.544
  550   1HB   LYS  68          HB2       LYS  68  -2.801   2.371   5.059
  551   2HB   LYS  68          HB3       LYS  68  -2.737   1.834   6.730
  552   1HG   LYS  68          HG2       LYS  68  -5.327   1.391   6.239
  553   2HG   LYS  68          HG3       LYS  68  -4.684   1.205   4.606
  554   1HD   LYS  68          HD2       LYS  68  -4.716  -0.938   5.743
  555   2HD   LYS  68          HD3       LYS  68  -3.055  -0.433   5.449
  556   1HE   LYS  68          HE2       LYS  68  -3.315  -1.378   7.684
  557   2HE   LYS  68          HE3       LYS  68  -2.863   0.323   7.754
  558   1HZ   LYS  68          HZ1       LYS  68  -5.619  -0.746   8.118
  559   2HZ   LYS  68          HZ2       LYS  68  -5.170   0.887   8.197
  560   3HZ   LYS  68          HZ3       LYS  68  -4.591  -0.203   9.357
  561    H    LYS  69           HN       LYS  69  -6.182   4.765   6.252
  562    HA   LYS  69           HA       LYS  69  -7.237   3.433   8.661
  563   1HB   LYS  69          HB2       LYS  69  -7.246   6.394   8.068
  564   2HB   LYS  69          HB3       LYS  69  -8.176   5.645   9.359
  565   1HG   LYS  69          HG2       LYS  69  -5.183   5.438   9.143
  566   2HG   LYS  69          HG3       LYS  69  -6.017   6.695  10.060
  567   1HD   LYS  69          HD2       LYS  69  -7.116   4.165  10.773
  568   2HD   LYS  69          HD3       LYS  69  -5.356   4.063  10.875
  569   1HE   LYS  69          HE2       LYS  69  -6.141   4.778  13.003
  570   2HE   LYS  69          HE3       LYS  69  -5.409   6.177  12.219
  571   1HZ   LYS  69          HZ1       LYS  69  -8.217   5.926  11.676
  572   2HZ   LYS  69          HZ2       LYS  69  -7.338   7.267  12.229
  573   3HZ   LYS  69          HZ3       LYS  69  -7.883   6.093  13.332
  574    H    GLU  70           HN       GLU  70  -8.317   5.865   6.271
  575    HA   GLU  70           HA       GLU  70 -11.003   4.777   6.511
  576   1HB   GLU  70          HB2       GLU  70  -9.838   7.343   5.830
  577   2HB   GLU  70          HB3       GLU  70 -11.052   6.862   4.653
  578   1HG   GLU  70          HG2       GLU  70 -12.242   8.074   6.231
  579   2HG   GLU  70          HG3       GLU  70 -12.555   6.393   6.662
  580    H    GLY  71           HN       GLY  71  -9.589   6.144   3.596
  581   1HA   GLY  71          HA1       GLY  71  -9.987   3.587   2.204
  582   2HA   GLY  71          HA2       GLY  71 -10.756   5.041   1.576
  583    H    ASP  72           HN       ASP  72  -7.587   4.594   3.024
  584    HA   ASP  72           HA       ASP  72  -6.414   6.227   0.964
  585   1HB   ASP  72          HB2       ASP  72  -4.772   4.877   3.061
  586   2HB   ASP  72          HB3       ASP  72  -4.623   6.501   2.392
  587    H    ILE  73           HN       ILE  73  -5.997   5.321  -0.906
  588    HA   ILE  73           HA       ILE  73  -4.982   2.597  -1.093
  589    HB   ILE  73           HB       ILE  73  -5.684   4.641  -3.210
  590   1HG1  ILE  73          HG12      ILE  73  -7.214   2.258  -3.386
  591   2HG1  ILE  73          HG13      ILE  73  -7.222   2.765  -1.700
  592   1HG2  ILE  73          HG21      ILE  73  -5.501   1.976  -4.235
  593   2HG2  ILE  73          HG22      ILE  73  -4.652   3.430  -4.756
  594   3HG2  ILE  73          HG23      ILE  73  -3.970   2.422  -3.478
  595   1HD1  ILE  73          HD11      ILE  73  -8.143   4.875  -2.259
  596   2HD1  ILE  73          HD12      ILE  73  -7.907   4.589  -3.983
  597   3HD1  ILE  73          HD13      ILE  73  -9.095   3.644  -3.087
  598    HA   PRO  74           HA       PRO  74  -0.823   3.932  -0.829
  599   1HB   PRO  74          HB2       PRO  74   0.417   1.803  -1.978
  600   2HB   PRO  74          HB3       PRO  74  -0.295   1.749  -0.362
  601   1HG   PRO  74          HG2       PRO  74  -1.418   0.770  -2.959
  602   2HG   PRO  74          HG3       PRO  74  -1.444  -0.004  -1.362
  603   1HD   PRO  74          HD2       PRO  74  -3.567   1.324  -2.389
  604   2HD   PRO  74          HD3       PRO  74  -3.235   1.261  -0.650
  605    H    VAL  75           HN       VAL  75  -0.020   5.534  -2.060
  606    HA   VAL  75           HA       VAL  75  -0.172   5.272  -4.974
  607    HB   VAL  75           HB       VAL  75   0.691   7.740  -4.841
  608   1HG1  VAL  75          HG11      VAL  75  -1.531   8.510  -4.918
  609   2HG1  VAL  75          HG12      VAL  75  -1.584   6.852  -5.517
  610   3HG1  VAL  75          HG13      VAL  75  -2.106   7.215  -3.872
  611   1HG2  VAL  75          HG21      VAL  75   0.847   8.724  -2.849
  612   2HG2  VAL  75          HG22      VAL  75  -0.757   8.164  -2.380
  613   3HG2  VAL  75          HG23      VAL  75   0.652   7.134  -2.112
  614    HA   PRO  76           HA       PRO  76   4.094   4.508  -5.502
  615   1HB   PRO  76          HB2       PRO  76   4.669   5.824  -7.792
  616   2HB   PRO  76          HB3       PRO  76   3.646   4.387  -7.760
  617   1HG   PRO  76          HG2       PRO  76   2.858   7.269  -7.894
  618   2HG   PRO  76          HG3       PRO  76   2.197   5.886  -8.785
  619   1HD   PRO  76          HD2       PRO  76   0.990   6.966  -6.589
  620   2HD   PRO  76          HD3       PRO  76   0.852   5.249  -7.035
  621    H    ASP  77           HN       ASP  77   3.065   7.808  -5.459
  622    HA   ASP  77           HA       ASP  77   5.293   8.686  -3.905
  623   1HB   ASP  77          HB2       ASP  77   6.161   8.694  -6.325
  624   2HB   ASP  77          HB3       ASP  77   5.014   9.995  -6.609
  625    HA   PRO  78           HA       PRO  78   1.436  10.867  -2.977
  626   1HB   PRO  78          HB2       PRO  78   2.860  11.573  -0.502
  627   2HB   PRO  78          HB3       PRO  78   1.348  10.685  -0.709
  628   1HG   PRO  78          HG2       PRO  78   3.611   9.468   0.088
  629   2HG   PRO  78          HG3       PRO  78   2.417   8.653  -0.939
  630   1HD   PRO  78          HD2       PRO  78   5.023   9.924  -1.702
  631   2HD   PRO  78          HD3       PRO  78   4.304   8.398  -2.264
  632    H    THR  79           HN       THR  79   4.513  11.985  -3.581
  633    HA   THR  79           HA       THR  79   3.953  14.762  -2.972
  634    HB   THR  79           HB       THR  79   6.429  13.728  -4.325
  635    HG1  THR  79           HG1      THR  79   5.706  13.572  -1.565
  636   1HG2  THR  79          HG21      THR  79   5.589  16.221  -3.422
  637   2HG2  THR  79          HG22      THR  79   7.223  15.754  -3.892
  638   3HG2  THR  79          HG23      THR  79   6.729  15.653  -2.204
  639    H    VAL  80           HN       VAL  80   4.783  12.740  -5.815
  640    HA   VAL  80           HA       VAL  80   4.111  14.939  -7.594
  641    HB   VAL  80           HB       VAL  80   4.626  13.373  -9.431
  642   1HG1  VAL  80          HG11      VAL  80   6.361  14.630  -7.703
  643   2HG1  VAL  80          HG12      VAL  80   7.024  13.000  -7.847
  644   3HG1  VAL  80          HG13      VAL  80   6.765  13.978  -9.292
  645   1HG2  VAL  80          HG21      VAL  80   5.988  11.289  -8.496
  646   2HG2  VAL  80          HG22      VAL  80   4.780  11.427  -7.219
  647   3HG2  VAL  80          HG23      VAL  80   4.272  11.209  -8.894
  648    H    ASP  81           HN       ASP  81   2.851  11.744  -6.820
  649    HA   ASP  81           HA       ASP  81   0.543  12.180  -8.536
  650   1HB   ASP  81          HB2       ASP  81   1.850   9.941  -8.258
  651   2HB   ASP  81          HB3       ASP  81   0.882   9.755  -6.791
  652    H    LYS  82           HN       LYS  82  -1.582  12.105  -7.822
  653    HA   LYS  82           HA       LYS  82  -1.970  13.213  -5.181
  654   1HB   LYS  82          HB2       LYS  82  -4.455  12.583  -6.466
  655   2HB   LYS  82          HB3       LYS  82  -3.780  14.158  -6.086
  656   1HG   LYS  82          HG2       LYS  82  -2.408  13.865  -8.234
  657   2HG   LYS  82          HG3       LYS  82  -3.559  12.583  -8.619
  658   1HD   LYS  82          HD2       LYS  82  -4.552  15.277  -7.781
  659   2HD   LYS  82          HD3       LYS  82  -3.997  15.021  -9.437
  660   1HE   LYS  82          HE2       LYS  82  -5.583  13.131  -9.628
  661   2HE   LYS  82          HE3       LYS  82  -6.178  13.502  -8.011
  662   1HZ   LYS  82          HZ1       LYS  82  -7.574  14.926  -8.940
  663   2HZ   LYS  82          HZ2       LYS  82  -6.903  14.666 -10.477
  664   3HZ   LYS  82          HZ3       LYS  82  -6.261  15.866  -9.467
  665    H    GLN  83           HN       GLN  83  -1.625  11.682  -3.692
  666    HA   GLN  83           HA       GLN  83  -2.147   9.142  -3.306
  667   1HB   GLN  83          HB2       GLN  83  -1.518  10.272  -1.385
  668   2HB   GLN  83          HB3       GLN  83  -2.780  11.482  -1.552
  669   1HG   GLN  83          HG2       GLN  83  -3.735  10.356   0.128
  670   2HG   GLN  83          HG3       GLN  83  -4.273   9.271  -1.153
  671   1HE2  GLN  83          HE21      GLN  83  -4.025   7.238  -0.627
  672   2HE2  GLN  83          HE22      GLN  83  -2.718   6.568   0.279
  673    H    ILE  84           HN       ILE  84  -3.704   7.759  -3.851
  674    HA   ILE  84           HA       ILE  84  -6.305   8.727  -4.555
  675    HB   ILE  84           HB       ILE  84  -5.539   5.818  -4.360
  676   1HG1  ILE  84          HG12      ILE  84  -5.415   6.876  -7.048
  677   2HG1  ILE  84          HG13      ILE  84  -4.270   7.718  -6.002
  678   1HG2  ILE  84          HG21      ILE  84  -7.601   5.497  -5.104
  679   2HG2  ILE  84          HG22      ILE  84  -7.876   7.238  -5.148
  680   3HG2  ILE  84          HG23      ILE  84  -7.212   6.413  -6.559
  681   1HD1  ILE  84          HD11      ILE  84  -3.606   5.531  -7.290
  682   2HD1  ILE  84          HD12      ILE  84  -3.011   5.845  -5.660
  683   3HD1  ILE  84          HD13      ILE  84  -4.371   4.750  -5.906
  684    H    LYS  85           HN       LYS  85  -7.970   8.902  -3.210
  685    HA   LYS  85           HA       LYS  85  -8.087   7.137  -0.873
  686   1HB   LYS  85          HB2       LYS  85  -8.021  10.113  -0.907
  687   2HB   LYS  85          HB3       LYS  85  -9.127   9.344   0.225
  688   1HG   LYS  85          HG2       LYS  85  -7.128   7.973   1.005
  689   2HG   LYS  85          HG3       LYS  85  -6.136   9.117   0.099
  690   1HD   LYS  85          HD2       LYS  85  -7.685  10.826   1.498
  691   2HD   LYS  85          HD3       LYS  85  -7.619   9.470   2.626
  692   1HE   LYS  85          HE2       LYS  85  -5.015  10.020   1.507
  693   2HE   LYS  85          HE3       LYS  85  -5.697  11.463   2.255
  694   1HZ   LYS  85          HZ1       LYS  85  -5.959   9.017   3.803
  695   2HZ   LYS  85          HZ2       LYS  85  -5.522  10.586   4.301
  696   3HZ   LYS  85          HZ3       LYS  85  -4.370   9.569   3.593
  697    H    ILE  86           HN       ILE  86 -10.010   6.237  -0.600
  698    HA   ILE  86           HA       ILE  86 -12.183   6.904  -2.377
  699    HB   ILE  86           HB       ILE  86 -12.361   5.020  -0.027
  700   1HG1  ILE  86          HG12      ILE  86 -11.741   3.900  -2.691
  701   2HG1  ILE  86          HG13      ILE  86 -10.418   4.751  -1.901
  702   1HG2  ILE  86          HG21      ILE  86 -13.692   4.334  -2.527
  703   2HG2  ILE  86          HG22      ILE  86 -14.330   4.398  -0.884
  704   3HG2  ILE  86          HG23      ILE  86 -14.232   5.873  -1.852
  705   1HD1  ILE  86          HD11      ILE  86 -11.695   2.991  -0.034
  706   2HD1  ILE  86          HD12      ILE  86 -11.247   2.110  -1.496
  707   3HD1  ILE  86          HD13      ILE  86 -10.023   3.007  -0.598
  708    H    GLU  87           HN       GLU  87 -13.920   8.131  -1.926
  709    HA   GLU  87           HA       GLU  87 -13.953   9.671   0.484
  710   1HB   GLU  87          HB2       GLU  87 -14.851  10.177  -1.990
  711   2HB   GLU  87          HB3       GLU  87 -16.349   9.593  -1.277
  712   1HG   GLU  87          HG2       GLU  87 -16.638  11.715  -0.654
  713   2HG   GLU  87          HG3       GLU  87 -15.493  11.330   0.628
  714    H    LEU  88           HN       LEU  88 -14.348   8.494   2.262
  715    HA   LEU  88           HA       LEU  88 -16.525   6.576   2.300
  716   1HB   LEU  88          HB2       LEU  88 -14.100   6.462   3.406
  717   2HB   LEU  88          HB3       LEU  88 -14.947   7.237   4.732
  718    HG   LEU  88           HG       LEU  88 -16.647   5.291   4.436
  719   1HD1  LEU  88          HD11      LEU  88 -15.234   4.598   2.328
  720   2HD1  LEU  88          HD12      LEU  88 -14.259   3.761   3.536
  721   3HD1  LEU  88          HD13      LEU  88 -15.972   3.379   3.366
  722   1HD2  LEU  88          HD21      LEU  88 -14.674   3.859   5.694
  723   2HD2  LEU  88          HD22      LEU  88 -14.132   5.526   5.889
  724   3HD2  LEU  88          HD23      LEU  88 -15.729   5.045   6.462
  725    HA   PRO  89           HA       PRO  89 -19.267   9.755   3.882
  726   1HB   PRO  89          HB2       PRO  89 -21.040   7.443   4.364
  727   2HB   PRO  89          HB3       PRO  89 -21.318   8.884   3.380
  728   1HG   PRO  89          HG2       PRO  89 -20.892   6.486   2.259
  729   2HG   PRO  89          HG3       PRO  89 -20.276   7.978   1.523
  730   1HD   PRO  89          HD2       PRO  89 -18.824   5.925   3.149
  731   2HD   PRO  89          HD3       PRO  89 -18.293   6.786   1.688
  732    HA   PRO  90           HA       PRO  90 -18.655   9.813   8.247
  733   1HB   PRO  90          HB2       PRO  90 -21.619  10.220   8.372
  734   2HB   PRO  90          HB3       PRO  90 -20.327  11.106   9.192
  735   1HG   PRO  90          HG2       PRO  90 -21.510  12.130   7.044
  736   2HG   PRO  90          HG3       PRO  90 -19.764  12.313   7.299
  737   1HD   PRO  90          HD2       PRO  90 -21.227  10.572   5.383
  738   2HD   PRO  90          HD3       PRO  90 -19.623  11.314   5.240
  739    H    LYS  91           HN       LYS  91 -18.201   7.905   9.140
  740    HA   LYS  91           HA       LYS  91 -20.252   5.812   9.178
  741   1HB   LYS  91          HB2       LYS  91 -17.939   4.616  10.059
  742   2HB   LYS  91          HB3       LYS  91 -18.529   4.591   8.404
  743   1HG   LYS  91          HG2       LYS  91 -16.803   5.785   7.684
  744   2HG   LYS  91          HG3       LYS  91 -17.025   6.996   8.948
  745   1HD   LYS  91          HD2       LYS  91 -15.976   5.084  10.452
  746   2HD   LYS  91          HD3       LYS  91 -15.290   4.580   8.906
  747   1HE   LYS  91          HE2       LYS  91 -14.322   6.796   8.599
  748   2HE   LYS  91          HE3       LYS  91 -15.037   7.328  10.121
  749   1HZ   LYS  91          HZ1       LYS  91 -12.556   6.299   9.836
  750   2HZ   LYS  91          HZ2       LYS  91 -13.436   4.948  10.361
  751   3HZ   LYS  91          HZ3       LYS  91 -13.427   6.364  11.294
  Start of MODEL   16
    1   1H    GLY   1          H1        GLY   1  12.895 -14.415  10.144
    2   2H    GLY   1          H2        GLY   1  14.583 -14.399  10.297
    3   3H    GLY   1          H3        GLY   1  13.854 -15.250   9.026
    4   1HA   GLY   1          HA2       GLY   1  12.853 -12.877   8.521
    5   2HA   GLY   1          HA1       GLY   1  14.340 -12.392   9.322
    6    H    SER   2           HN       SER   2  16.307 -12.782   8.359
    7    HA   SER   2           HA       SER   2  17.808 -13.024   6.687
    8   1HB   SER   2          HB2       SER   2  16.001 -14.857   5.154
    9   2HB   SER   2          HB3       SER   2  17.750 -14.931   5.368
   10    HG   SER   2           HG       SER   2  17.439 -16.171   7.025
   11    H    MET   3           HN       MET   3  14.910 -13.510   4.708
   12    HA   MET   3           HA       MET   3  15.776 -11.393   2.932
   13   1HB   MET   3          HB2       MET   3  14.929 -13.487   1.977
   14   2HB   MET   3          HB3       MET   3  13.395 -13.261   2.808
   15   1HG   MET   3          HG2       MET   3  13.289 -11.040   1.492
   16   2HG   MET   3          HG3       MET   3  14.508 -11.788   0.462
   17   1HE   MET   3          HE1       MET   3  11.513 -10.776  -0.440
   18   2HE   MET   3          HE2       MET   3  12.770 -11.357  -1.532
   19   3HE   MET   3          HE3       MET   3  11.155 -12.060  -1.596
   20    HA   PRO   4           HA       PRO   4  13.126  -8.328   4.838
   21   1HB   PRO   4          HB2       PRO   4  13.156  -6.553   2.767
   22   2HB   PRO   4          HB3       PRO   4  14.478  -6.713   3.928
   23   1HG   PRO   4          HG2       PRO   4  14.228  -7.855   1.173
   24   2HG   PRO   4          HG3       PRO   4  15.633  -7.103   1.949
   25   1HD   PRO   4          HD2       PRO   4  15.372  -9.778   1.735
   26   2HD   PRO   4          HD3       PRO   4  16.162  -9.016   3.131
   27    H    THR   5           HN       THR   5  11.028  -7.470   4.532
   28    HA   THR   5           HA       THR   5   9.174  -9.131   3.289
   29    HB   THR   5           HB       THR   5   8.373  -6.306   3.671
   30    HG1  THR   5           HG1      THR   5   9.046  -7.883   5.948
   31   1HG2  THR   5          HG21      THR   5   7.046  -8.643   3.460
   32   2HG2  THR   5          HG22      THR   5   6.408  -7.235   4.308
   33   3HG2  THR   5          HG23      THR   5   7.191  -8.530   5.214
   34    H    THR   6           HN       THR   6   8.269  -9.194   1.312
   35    HA   THR   6           HA       THR   6   9.463  -7.717  -0.815
   36    HB   THR   6           HB       THR   6   7.137  -8.963  -1.770
   37    HG1  THR   6           HG1      THR   6   6.725 -10.393  -0.258
   38   1HG2  THR   6          HG21      THR   6   9.210  -8.983  -2.971
   39   2HG2  THR   6          HG22      THR   6   8.772 -10.658  -2.631
   40   3HG2  THR   6          HG23      THR   6  10.017  -9.860  -1.670
   41    H    CYS   7           HN       CYS   7   8.885  -5.710  -1.416
   42    HA   CYS   7           HA       CYS   7   6.467  -4.469  -0.657
   43   1HB   CYS   7          HB2       CYS   7   8.374  -3.100  -1.304
   44   2HB   CYS   7          HB3       CYS   7   8.377  -3.811  -2.914
   45    H    GLY   8           HN       GLY   8   4.567  -4.259  -1.713
   46   1HA   GLY   8          HA1       GLY   8   3.926  -6.352  -3.582
   47   2HA   GLY   8          HA2       GLY   8   2.810  -5.169  -2.912
   48    H    PHE   9           HN       PHE   9   5.034  -3.169  -3.855
   49    HA   PHE   9           HA       PHE   9   3.616  -2.479  -6.254
   50   1HB   PHE   9          HB2       PHE   9   5.378  -1.220  -4.344
   51   2HB   PHE   9          HB3       PHE   9   5.900  -0.870  -5.981
   52    HD1  PHE   9           HD1      PHE   9   4.959   0.933  -7.074
   53    HD2  PHE   9           HD2      PHE   9   2.816  -0.926  -3.903
   54    HE1  PHE   9           HE1      PHE   9   3.225   2.672  -7.228
   55    HE2  PHE   9           HE2      PHE   9   1.078   0.804  -4.052
   56    HZ   PHE   9           HZ       PHE   9   1.283   2.615  -5.718
   57    HA   PRO  10           HA       PRO  10   6.252  -4.373  -9.273
   58   1HB   PRO  10          HB2       PRO  10   6.329  -2.327 -11.135
   59   2HB   PRO  10          HB3       PRO  10   5.037  -3.524 -11.007
   60   1HG   PRO  10          HG2       PRO  10   5.145  -0.728  -9.957
   61   2HG   PRO  10          HG3       PRO  10   3.786  -1.604 -10.690
   62   1HD   PRO  10          HD2       PRO  10   3.954  -1.250  -8.038
   63   2HD   PRO  10          HD3       PRO  10   3.304  -2.749  -8.733
   64    H    ASN  11           HN       ASN  11   6.940  -1.322  -7.888
   65    HA   ASN  11           HA       ASN  11   9.742  -1.831  -7.780
   66   1HB   ASN  11          HB2       ASN  11   9.049  -0.690 -10.132
   67   2HB   ASN  11          HB3       ASN  11   9.245   0.755  -9.145
   68   1HD2  ASN  11          HD21      ASN  11  10.879   0.642 -11.137
   69   2HD2  ASN  11          HD22      ASN  11  12.480   0.169 -10.676
   70    H    CYS  12           HN       CYS  12  10.176  -1.216  -5.765
   71    HA   CYS  12           HA       CYS  12   8.670   0.977  -4.572
   72   1HB   CYS  12          HB2       CYS  12   9.079  -1.292  -3.422
   73   2HB   CYS  12          HB3       CYS  12  10.726  -0.714  -3.162
   74    H    LYS  13           HN       LYS  13   9.510   2.886  -5.185
   75    HA   LYS  13           HA       LYS  13  12.351   3.289  -5.445
   76   1HB   LYS  13          HB2       LYS  13  11.777   5.607  -5.948
   77   2HB   LYS  13          HB3       LYS  13  10.749   4.514  -6.864
   78   1HG   LYS  13          HG2       LYS  13   8.893   4.929  -5.438
   79   2HG   LYS  13          HG3       LYS  13   9.901   5.796  -4.279
   80   1HD   LYS  13          HD2       LYS  13   9.200   7.641  -5.334
   81   2HD   LYS  13          HD3       LYS  13  10.353   7.185  -6.592
   82   1HE   LYS  13          HE2       LYS  13   8.518   5.871  -7.672
   83   2HE   LYS  13          HE3       LYS  13   7.404   6.569  -6.497
   84   1HZ   LYS  13          HZ1       LYS  13   7.930   8.760  -7.319
   85   2HZ   LYS  13          HZ2       LYS  13   7.405   7.782  -8.602
   86   3HZ   LYS  13          HZ3       LYS  13   9.059   8.123  -8.416
   87    H    PHE  14           HN       PHE  14  10.148   3.284  -2.897
   88    HA   PHE  14           HA       PHE  14  11.430   5.359  -1.342
   89   1HB   PHE  14          HB2       PHE  14   9.261   3.406  -0.552
   90   2HB   PHE  14          HB3       PHE  14   9.754   4.834   0.352
   91    HD1  PHE  14           HD1      PHE  14   9.705   7.070  -1.114
   92    HD2  PHE  14           HD2      PHE  14   7.382   3.582  -1.851
   93    HE1  PHE  14           HE1      PHE  14   8.081   8.422  -2.369
   94    HE2  PHE  14           HE2      PHE  14   5.751   4.932  -3.104
   95    HZ   PHE  14           HZ       PHE  14   6.102   7.351  -3.365
   96    H    ARG  15           HN       ARG  15  11.107   1.820  -1.213
   97    HA   ARG  15           HA       ARG  15  12.827   1.650   1.084
   98   1HB   ARG  15          HB2       ARG  15  11.549  -0.375  -0.724
   99   2HB   ARG  15          HB3       ARG  15  12.753  -0.855   0.468
  100   1HG   ARG  15          HG2       ARG  15  11.402  -0.008   2.261
  101   2HG   ARG  15          HG3       ARG  15  10.239   0.669   1.118
  102   1HD   ARG  15          HD2       ARG  15   9.238  -1.308   1.823
  103   2HD   ARG  15          HD3       ARG  15   9.974  -1.739   0.278
  104    HE   ARG  15           HE       ARG  15  11.162  -2.374   2.912
  105   1HH1  ARG  15          HH12      ARG  15  10.417  -3.169  -0.402
  106   2HH1  ARG  15          HH11      ARG  15  11.257  -4.683  -0.376
  107   1HH2  ARG  15          HH22      ARG  15  12.258  -4.387   2.982
  108   2HH2  ARG  15          HH21      ARG  15  12.269  -5.398   1.569
  109    H    SER  16           HN       SER  16  13.236   1.584  -2.362
  110    HA   SER  16           HA       SER  16  15.929   0.600  -2.300
  111   1HB   SER  16          HB2       SER  16  14.484   2.163  -4.458
  112   2HB   SER  16          HB3       SER  16  16.019   1.317  -4.653
  113    HG   SER  16           HG       SER  16  13.446   0.333  -4.590
  114    H    ARG  17           HN       ARG  17  14.432   3.568  -1.592
  115    HA   ARG  17           HA       ARG  17  16.571   5.341  -2.144
  116   1HB   ARG  17          HB2       ARG  17  14.601   6.487  -1.804
  117   2HB   ARG  17          HB3       ARG  17  14.082   5.426  -0.505
  118   1HG   ARG  17          HG2       ARG  17  15.221   6.597   1.096
  119   2HG   ARG  17          HG3       ARG  17  16.420   7.203  -0.046
  120   1HD   ARG  17          HD2       ARG  17  13.694   8.099  -0.608
  121   2HD   ARG  17          HD3       ARG  17  14.309   8.632   0.956
  122    HE   ARG  17           HE       ARG  17  15.148   9.531  -1.632
  123   1HH1  ARG  17          HH12      ARG  17  16.144   9.131   1.706
  124   2HH1  ARG  17          HH11      ARG  17  17.392  10.341   1.606
  125   1HH2  ARG  17          HH22      ARG  17  16.770  11.139  -1.742
  126   2HH2  ARG  17          HH21      ARG  17  17.743  11.472  -0.345
  127    H    TYR  18           HN       TYR  18  15.818   3.176   0.494
  128    HA   TYR  18           HA       TYR  18  17.986   4.134   2.151
  129   1HB   TYR  18          HB2       TYR  18  16.500   1.524   2.473
  130   2HB   TYR  18          HB3       TYR  18  17.374   2.425   3.704
  131    HD1  TYR  18           HD1      TYR  18  14.220   1.605   2.523
  132    HD2  TYR  18           HD2      TYR  18  16.406   4.920   4.054
  133    HE1  TYR  18           HE1      TYR  18  12.116   2.672   3.200
  134    HE2  TYR  18           HE2      TYR  18  14.300   5.995   4.735
  135    HH   TYR  18           HH       TYR  18  11.839   5.007   5.358
  136    H    ARG  19           HN       ARG  19  17.886   0.762   2.147
  137    HA   ARG  19           HA       ARG  19  20.140   0.560   0.265
  138   1HB   ARG  19          HB2       ARG  19  19.996  -0.339   3.125
  139   2HB   ARG  19          HB3       ARG  19  20.995  -1.226   1.984
  140   1HG   ARG  19          HG2       ARG  19  21.257   1.660   2.786
  141   2HG   ARG  19          HG3       ARG  19  22.375   0.338   3.130
  142   1HD   ARG  19          HD2       ARG  19  23.213   0.311   1.004
  143   2HD   ARG  19          HD3       ARG  19  21.718   0.918   0.293
  144    HE   ARG  19           HE       ARG  19  23.401   2.699   1.923
  145   1HH1  ARG  19          HH12      ARG  19  21.980   1.851  -1.168
  146   2HH1  ARG  19          HH11      ARG  19  22.324   3.391  -1.891
  147   1HH2  ARG  19          HH22      ARG  19  23.857   4.736   0.961
  148   2HH2  ARG  19          HH21      ARG  19  23.383   5.027  -0.691
  149    H    GLY  20           HN       GLY  20  17.439  -0.029  -0.239
  150   1HA   GLY  20          HA1       GLY  20  16.461  -1.754  -1.495
  151   2HA   GLY  20          HA2       GLY  20  17.633  -2.881  -0.823
  152    H    LEU  21           HN       LEU  21  17.242  -2.159   1.904
  153    HA   LEU  21           HA       LEU  21  14.433  -2.619   2.447
  154   1HB   LEU  21          HB2       LEU  21  14.893  -4.470   3.946
  155   2HB   LEU  21          HB3       LEU  21  15.473  -4.850   2.340
  156    HG   LEU  21           HG       LEU  21  17.543  -3.674   4.036
  157   1HD1  LEU  21          HD11      LEU  21  17.756  -6.015   5.189
  158   2HD1  LEU  21          HD12      LEU  21  16.740  -4.758   5.896
  159   3HD1  LEU  21          HD13      LEU  21  16.009  -6.058   4.955
  160   1HD2  LEU  21          HD21      LEU  21  17.548  -5.033   1.758
  161   2HD2  LEU  21          HD22      LEU  21  18.892  -5.111   2.897
  162   3HD2  LEU  21          HD23      LEU  21  17.686  -6.396   2.868
  163    H    GLU  22           HN       GLU  22  15.225  -3.206   5.243
  164    HA   GLU  22           HA       GLU  22  15.283  -2.054   7.191
  165   1HB   GLU  22          HB2       GLU  22  17.703  -1.448   5.764
  166   2HB   GLU  22          HB3       GLU  22  17.217  -0.067   6.740
  167   1HG   GLU  22          HG2       GLU  22  18.161  -1.071   8.468
  168   2HG   GLU  22          HG3       GLU  22  16.852  -2.254   8.404
  169    H    ASP  23           HN       ASP  23  13.273  -1.254   5.633
  170    HA   ASP  23           HA       ASP  23  13.163   1.591   5.334
  171   1HB   ASP  23          HB2       ASP  23  10.656   1.102   5.081
  172   2HB   ASP  23          HB3       ASP  23  11.731   0.377   3.890
  173    H    ASN  24           HN       ASN  24  12.563  -0.699   7.840
  174    HA   ASN  24           HA       ASN  24  11.595  -0.615   9.903
  175   1HB   ASN  24          HB2       ASN  24  13.464   1.440   9.715
  176   2HB   ASN  24          HB3       ASN  24  12.048   2.215  10.417
  177   1HD2  ASN  24          HD21      ASN  24  12.688   2.454  12.474
  178   2HD2  ASN  24          HD22      ASN  24  13.138   1.156  13.529
  179    H    ARG  25           HN       ARG  25   9.770  -0.270   7.833
  180    HA   ARG  25           HA       ARG  25   7.945   1.809   8.862
  181   1HB   ARG  25          HB2       ARG  25   8.339   0.647   6.117
  182   2HB   ARG  25          HB3       ARG  25   6.857   1.490   6.545
  183   1HG   ARG  25          HG2       ARG  25   8.571   3.342   7.332
  184   2HG   ARG  25          HG3       ARG  25   9.596   2.543   6.139
  185   1HD   ARG  25          HD2       ARG  25   8.539   3.618   4.516
  186   2HD   ARG  25          HD3       ARG  25   7.026   2.853   4.994
  187    HE   ARG  25           HE       ARG  25   6.526   4.753   6.332
  188   1HH1  ARG  25          HH12      ARG  25   9.438   5.107   4.438
  189   2HH1  ARG  25          HH11      ARG  25   9.416   6.842   4.489
  190   1HH2  ARG  25          HH22      ARG  25   6.482   7.047   6.401
  191   2HH2  ARG  25          HH21      ARG  25   7.728   7.943   5.567
  192    H    HIS  26           HN       HIS  26   5.594   1.113   7.886
  193    HA   HIS  26           HA       HIS  26   4.974  -1.440   9.200
  194   1HB   HIS  26          HB2       HIS  26   3.478   1.106   8.732
  195   2HB   HIS  26          HB3       HIS  26   2.557  -0.385   8.842
  196    HD2  HIS  26           HD2      HIS  26   3.670   2.318  11.060
  197    HE1  HIS  26           HE1      HIS  26   3.372  -1.102  13.532
  198    HE2  HIS  26           HE2      HIS  26   3.401   1.434  13.484
  199    H    PHE  27           HN       PHE  27   4.981  -3.067   7.760
  200    HA   PHE  27           HA       PHE  27   4.173  -2.627   5.014
  201   1HB   PHE  27          HB2       PHE  27   5.490  -4.777   6.539
  202   2HB   PHE  27          HB3       PHE  27   4.428  -5.337   5.254
  203    HD1  PHE  27           HD1      PHE  27   7.600  -3.885   6.076
  204    HD2  PHE  27           HD2      PHE  27   4.831  -4.534   2.917
  205    HE1  PHE  27           HE1      PHE  27   9.380  -3.460   4.433
  206    HE2  PHE  27           HE2      PHE  27   6.603  -4.117   1.269
  207    HZ   PHE  27           HZ       PHE  27   8.881  -3.578   2.026
  208    H    TYR  28           HN       TYR  28   2.072  -2.422   4.616
  209    HA   TYR  28           HA       TYR  28   0.087  -3.544   6.384
  210   1HB   TYR  28          HB2       TYR  28  -0.178  -2.009   3.785
  211   2HB   TYR  28          HB3       TYR  28  -1.530  -2.470   4.811
  212    HD1  TYR  28           HD1      TYR  28  -0.380   0.338   3.864
  213    HD2  TYR  28           HD2      TYR  28  -0.227  -1.875   7.497
  214    HE1  TYR  28           HE1      TYR  28  -0.155   2.441   5.127
  215    HE2  TYR  28           HE2      TYR  28   0.005   0.218   8.767
  216    HH   TYR  28           HH       TYR  28   0.590   3.267   7.236
  217    H    ARG  29           HN       ARG  29  -1.388  -5.164   5.932
  218    HA   ARG  29           HA       ARG  29  -0.553  -7.034   3.861
  219   1HB   ARG  29          HB2       ARG  29  -2.823  -7.957   5.371
  220   2HB   ARG  29          HB3       ARG  29  -1.208  -8.637   5.266
  221   1HG   ARG  29          HG2       ARG  29  -1.645  -6.275   7.017
  222   2HG   ARG  29          HG3       ARG  29  -2.209  -7.860   7.554
  223   1HD   ARG  29          HD2       ARG  29  -0.008  -8.777   7.384
  224   2HD   ARG  29          HD3       ARG  29   0.593  -7.313   6.599
  225    HE   ARG  29           HE       ARG  29   0.081  -6.169   8.771
  226   1HH1  ARG  29          HH12      ARG  29   0.773  -9.620   8.658
  227   2HH1  ARG  29          HH11      ARG  29   1.302  -9.690  10.319
  228   1HH2  ARG  29          HH22      ARG  29   0.730  -6.289  10.961
  229   2HH2  ARG  29          HH21      ARG  29   1.271  -7.800  11.622
  230    H    ILE  30           HN       ILE  30  -2.145  -4.485   3.468
  231    HA   ILE  30           HA       ILE  30  -3.746  -3.687   2.097
  232    HB   ILE  30           HB       ILE  30  -3.970  -6.549   1.181
  233   1HG1  ILE  30          HG12      ILE  30  -2.910  -4.858  -0.811
  234   2HG1  ILE  30          HG13      ILE  30  -2.072  -4.442   0.680
  235   1HG2  ILE  30          HG21      ILE  30  -5.643  -5.996  -0.201
  236   2HG2  ILE  30          HG22      ILE  30  -5.815  -4.526   0.758
  237   3HG2  ILE  30          HG23      ILE  30  -4.829  -4.514  -0.705
  238   1HD1  ILE  30          HD11      ILE  30  -0.713  -6.096  -0.047
  239   2HD1  ILE  30          HD12      ILE  30  -1.873  -7.086   0.838
  240   3HD1  ILE  30          HD13      ILE  30  -2.002  -6.931  -0.914
  241    HA   PRO  31           HA       PRO  31  -7.078  -3.904   5.139
  242   1HB   PRO  31          HB2       PRO  31  -8.188  -2.186   2.967
  243   2HB   PRO  31          HB3       PRO  31  -8.153  -1.918   4.716
  244   1HG   PRO  31          HG2       PRO  31  -6.462  -0.715   2.951
  245   2HG   PRO  31          HG3       PRO  31  -6.072  -0.996   4.652
  246   1HD   PRO  31          HD2       PRO  31  -4.952  -2.238   2.274
  247   2HD   PRO  31          HD3       PRO  31  -4.382  -2.316   3.949
  248    H    LYS  32           HN       LYS  32  -8.319  -5.693   5.129
  249    HA   LYS  32           HA       LYS  32  -9.605  -6.504   2.617
  250   1HB   LYS  32          HB2       LYS  32 -10.205  -8.559   4.152
  251   2HB   LYS  32          HB3       LYS  32  -8.610  -8.414   3.429
  252   1HG   LYS  32          HG2       LYS  32  -7.941  -7.269   5.629
  253   2HG   LYS  32          HG3       LYS  32  -9.435  -7.955   6.270
  254   1HD   LYS  32          HD2       LYS  32  -8.261  -9.809   6.682
  255   2HD   LYS  32          HD3       LYS  32  -8.241 -10.072   4.937
  256   1HE   LYS  32          HE2       LYS  32  -6.082  -9.417   4.727
  257   2HE   LYS  32          HE3       LYS  32  -6.207  -8.220   6.015
  258   1HZ   LYS  32          HZ1       LYS  32  -5.063  -9.667   7.228
  259   2HZ   LYS  32          HZ2       LYS  32  -5.315 -10.943   6.134
  260   3HZ   LYS  32          HZ3       LYS  32  -6.483 -10.593   7.315
  261    H    ARG  33           HN       ARG  33 -10.381  -4.302   4.494
  262    HA   ARG  33           HA       ARG  33 -13.213  -4.894   4.647
  263   1HB   ARG  33          HB2       ARG  33 -11.550  -5.202   6.910
  264   2HB   ARG  33          HB3       ARG  33 -12.425  -3.698   7.149
  265   1HG   ARG  33          HG2       ARG  33 -14.333  -5.528   6.257
  266   2HG   ARG  33          HG3       ARG  33 -13.332  -6.409   7.413
  267   1HD   ARG  33          HD2       ARG  33 -15.189  -4.159   7.834
  268   2HD   ARG  33          HD3       ARG  33 -14.753  -5.485   8.910
  269    HE   ARG  33           HE       ARG  33 -13.131  -3.048   8.502
  270   1HH1  ARG  33          HH12      ARG  33 -14.233  -5.708  10.508
  271   2HH1  ARG  33          HH11      ARG  33 -13.327  -5.187  11.899
  272   1HH2  ARG  33          HH22      ARG  33 -11.958  -2.371  10.332
  273   2HH2  ARG  33          HH21      ARG  33 -12.031  -3.303  11.799
  274    HA   PRO  34           HA       PRO  34 -14.685  -4.145   3.834
  275   1HB   PRO  34          HB2       PRO  34 -15.450  -2.396   1.672
  276   2HB   PRO  34          HB3       PRO  34 -16.376  -2.832   3.109
  277   1HG   PRO  34          HG2       PRO  34 -15.397  -0.321   2.624
  278   2HG   PRO  34          HG3       PRO  34 -15.735  -0.958   4.242
  279   1HD   PRO  34          HD2       PRO  34 -13.123  -0.731   2.800
  280   2HD   PRO  34          HD3       PRO  34 -13.500  -0.428   4.511
  281    H    LEU  35           HN       LEU  35 -15.214  -5.067   1.593
  282    HA   LEU  35           HA       LEU  35 -12.779  -6.008   0.486
  283   1HB   LEU  35          HB2       LEU  35 -15.657  -6.487   0.073
  284   2HB   LEU  35          HB3       LEU  35 -14.644  -6.794  -1.324
  285    HG   LEU  35           HG       LEU  35 -14.895  -8.860  -0.173
  286   1HD1  LEU  35          HD11      LEU  35 -12.203  -7.824   0.685
  287   2HD1  LEU  35          HD12      LEU  35 -12.647  -9.478   0.258
  288   3HD1  LEU  35          HD13      LEU  35 -12.599  -8.229  -0.986
  289   1HD2  LEU  35          HD21      LEU  35 -15.576  -7.776   1.995
  290   2HD2  LEU  35          HD22      LEU  35 -14.533  -9.190   2.147
  291   3HD2  LEU  35          HD23      LEU  35 -13.858  -7.573   2.342
  292    H    ILE  36           HN       ILE  36 -15.203  -3.696  -0.654
  293    HA   ILE  36           HA       ILE  36 -14.163  -3.342  -3.246
  294    HB   ILE  36           HB       ILE  36 -15.840  -1.593  -1.466
  295   1HG1  ILE  36          HG12      ILE  36 -17.082  -3.398  -2.338
  296   2HG1  ILE  36          HG13      ILE  36 -17.477  -2.038  -3.382
  297   1HG2  ILE  36          HG21      ILE  36 -14.239  -0.603  -3.552
  298   2HG2  ILE  36          HG22      ILE  36 -15.884  -0.676  -4.184
  299   3HG2  ILE  36          HG23      ILE  36 -15.545   0.228  -2.706
  300   1HD1  ILE  36          HD11      ILE  36 -15.738  -2.902  -4.977
  301   2HD1  ILE  36          HD12      ILE  36 -15.660  -4.353  -3.976
  302   3HD1  ILE  36          HD13      ILE  36 -17.168  -3.913  -4.777
  303    H    LEU  37           HN       LEU  37 -13.297  -1.902  -0.162
  304    HA   LEU  37           HA       LEU  37 -11.599   0.121  -1.167
  305   1HB   LEU  37          HB2       LEU  37 -12.168   0.454   1.041
  306   2HB   LEU  37          HB3       LEU  37 -11.947  -1.233   1.464
  307    HG   LEU  37           HG       LEU  37  -9.437  -0.766   1.024
  308   1HD1  LEU  37          HD11      LEU  37  -9.241   1.321   0.148
  309   2HD1  LEU  37          HD12      LEU  37 -10.610   1.957   1.060
  310   3HD1  LEU  37          HD13      LEU  37  -9.059   1.701   1.860
  311   1HD2  LEU  37          HD21      LEU  37  -9.405   0.375   3.411
  312   2HD2  LEU  37          HD22      LEU  37 -11.109  -0.079   3.376
  313   3HD2  LEU  37          HD23      LEU  37  -9.863  -1.315   3.190
  314    H    ARG  38           HN       ARG  38 -10.997  -3.208  -0.122
  315    HA   ARG  38           HA       ARG  38  -8.230  -3.257  -0.586
  316   1HB   ARG  38          HB2       ARG  38  -9.192  -5.046   0.636
  317   2HB   ARG  38          HB3       ARG  38 -10.347  -5.407  -0.641
  318   1HG   ARG  38          HG2       ARG  38  -8.533  -6.201  -2.063
  319   2HG   ARG  38          HG3       ARG  38  -7.367  -5.803  -0.798
  320   1HD   ARG  38          HD2       ARG  38  -7.645  -7.888  -0.062
  321   2HD   ARG  38          HD3       ARG  38  -9.230  -7.363   0.505
  322    HE   ARG  38           HE       ARG  38  -9.444  -8.089  -2.206
  323   1HH1  ARG  38          HH12      ARG  38  -8.843  -9.559   0.915
  324   2HH1  ARG  38          HH11      ARG  38  -9.558 -11.080   0.489
  325   1HH2  ARG  38          HH22      ARG  38 -10.378 -10.078  -2.791
  326   2HH2  ARG  38          HH21      ARG  38 -10.400 -11.396  -1.650
  327    H    GLN  39           HN       GLN  39 -10.994  -3.886  -2.678
  328    HA   GLN  39           HA       GLN  39  -9.586  -4.716  -4.967
  329   1HB   GLN  39          HB2       GLN  39 -12.299  -4.061  -4.238
  330   2HB   GLN  39          HB3       GLN  39 -11.922  -3.418  -5.829
  331   1HG   GLN  39          HG2       GLN  39 -11.072  -5.716  -6.405
  332   2HG   GLN  39          HG3       GLN  39 -11.807  -6.267  -4.901
  333   1HE2  GLN  39          HE21      GLN  39 -13.543  -7.377  -5.452
  334   2HE2  GLN  39          HE22      GLN  39 -14.775  -6.846  -6.550
  335    H    ARG  40           HN       ARG  40 -10.500  -1.540  -3.763
  336    HA   ARG  40           HA       ARG  40  -9.628  -0.130  -6.097
  337   1HB   ARG  40          HB2       ARG  40 -10.449   0.662  -3.327
  338   2HB   ARG  40          HB3       ARG  40  -9.630   1.832  -4.351
  339   1HG   ARG  40          HG2       ARG  40 -12.119   0.352  -5.137
  340   2HG   ARG  40          HG3       ARG  40 -12.100   1.943  -4.379
  341   1HD   ARG  40          HD2       ARG  40 -11.616   2.954  -6.313
  342   2HD   ARG  40          HD3       ARG  40 -10.312   1.815  -6.652
  343    HE   ARG  40           HE       ARG  40 -13.072   0.953  -7.123
  344   1HH1  ARG  40          HH12      ARG  40  -9.967   1.944  -8.447
  345   2HH1  ARG  40          HH11      ARG  40 -10.326   1.367 -10.040
  346   1HH2  ARG  40          HH22      ARG  40 -13.515   0.165  -9.211
  347   2HH2  ARG  40          HH21      ARG  40 -12.337   0.337 -10.473
  348    H    TRP  41           HN       TRP  41  -8.139  -1.314  -3.206
  349    HA   TRP  41           HA       TRP  41  -5.814   0.258  -3.147
  350   1HB   TRP  41          HB2       TRP  41  -6.756  -2.240  -1.942
  351   2HB   TRP  41          HB3       TRP  41  -5.017  -2.225  -2.217
  352    HD1  TRP  41           HD1      TRP  41  -7.481   0.448  -0.839
  353    HE1  TRP  41           HE1      TRP  41  -6.432   1.443   1.288
  354    HE3  TRP  41           HE3      TRP  41  -3.202  -2.338  -0.678
  355    HZ2  TRP  41           HZ2      TRP  41  -4.101   1.078   2.838
  356    HZ3  TRP  41           HZ3      TRP  41  -1.615  -1.955   1.162
  357    HH2  TRP  41           HH2      TRP  41  -2.061  -0.279   2.877
  358    H    LEU  42           HN       LEU  42  -6.754  -2.427  -5.121
  359    HA   LEU  42           HA       LEU  42  -4.227  -3.183  -6.105
  360   1HB   LEU  42          HB2       LEU  42  -6.816  -3.371  -7.624
  361   2HB   LEU  42          HB3       LEU  42  -5.402  -4.396  -7.780
  362    HG   LEU  42           HG       LEU  42  -7.148  -4.295  -5.319
  363   1HD1  LEU  42          HD11      LEU  42  -8.114  -5.191  -7.585
  364   2HD1  LEU  42          HD12      LEU  42  -7.106  -6.592  -7.222
  365   3HD1  LEU  42          HD13      LEU  42  -8.359  -6.089  -6.088
  366   1HD2  LEU  42          HD21      LEU  42  -5.934  -6.146  -4.546
  367   2HD2  LEU  42          HD22      LEU  42  -5.178  -6.416  -6.117
  368   3HD2  LEU  42          HD23      LEU  42  -4.714  -5.021  -5.143
  369    H    THR  43           HN       THR  43  -6.194  -0.449  -6.773
  370    HA   THR  43           HA       THR  43  -5.545   0.094  -9.440
  371    HB   THR  43           HB       THR  43  -6.314   1.900  -7.148
  372    HG1  THR  43           HG1      THR  43  -7.610   0.471  -9.149
  373   1HG2  THR  43          HG21      THR  43  -5.719   3.706  -8.318
  374   2HG2  THR  43          HG22      THR  43  -6.837   3.208  -9.591
  375   3HG2  THR  43          HG23      THR  43  -5.150   2.695  -9.648
  376    H    ALA  44           HN       ALA  44  -3.774   0.779  -6.470
  377    HA   ALA  44           HA       ALA  44  -1.909   2.558  -7.737
  378   1HB   ALA  44          HB1       ALA  44  -1.142   1.315  -5.184
  379   2HB   ALA  44          HB2       ALA  44  -1.180   3.013  -5.659
  380   3HB   ALA  44          HB3       ALA  44  -2.668   2.202  -5.175
  381    H    ILE  45           HN       ILE  45  -1.962  -0.828  -6.851
  382    HA   ILE  45           HA       ILE  45   0.848  -1.183  -7.450
  383    HB   ILE  45           HB       ILE  45  -0.230  -3.720  -7.173
  384   1HG1  ILE  45          HG12      ILE  45  -1.483  -1.996  -5.036
  385   2HG1  ILE  45          HG13      ILE  45  -2.369  -2.497  -6.471
  386   1HG2  ILE  45          HG21      ILE  45   0.800  -2.075  -4.883
  387   2HG2  ILE  45          HG22      ILE  45   1.003  -3.804  -5.174
  388   3HG2  ILE  45          HG23      ILE  45   1.841  -2.632  -6.192
  389   1HD1  ILE  45          HD11      ILE  45  -1.895  -3.929  -4.052
  390   2HD1  ILE  45          HD12      ILE  45  -2.910  -4.363  -5.429
  391   3HD1  ILE  45          HD13      ILE  45  -1.206  -4.818  -5.411
  392    H    GLY  46           HN       GLY  46  -2.136  -1.401  -9.108
  393   1HA   GLY  46          HA1       GLY  46  -2.612  -1.962 -11.289
  394   2HA   GLY  46          HA2       GLY  46  -0.886  -2.173 -11.560
  395    H    ARG  47           HN       ARG  47  -2.548  -3.853  -9.024
  396    HA   ARG  47           HA       ARG  47  -2.066  -6.363 -10.481
  397   1HB   ARG  47          HB2       ARG  47  -2.088  -5.933  -7.487
  398   2HB   ARG  47          HB3       ARG  47  -1.744  -7.446  -8.316
  399   1HG   ARG  47          HG2       ARG  47   0.092  -5.834  -9.459
  400   2HG   ARG  47          HG3       ARG  47  -0.028  -5.108  -7.855
  401   1HD   ARG  47          HD2       ARG  47   0.220  -7.497  -6.959
  402   2HD   ARG  47          HD3       ARG  47   0.744  -7.915  -8.593
  403    HE   ARG  47           HE       ARG  47   2.186  -6.292  -6.649
  404   1HH1  ARG  47          HH12      ARG  47   2.005  -7.495  -9.940
  405   2HH1  ARG  47          HH11      ARG  47   3.666  -7.136 -10.294
  406   1HH2  ARG  47          HH22      ARG  47   4.360  -5.836  -7.112
  407   2HH2  ARG  47          HH21      ARG  47   5.015  -6.218  -8.678
  408    H    THR  48           HN       THR  48  -3.420  -8.164  -9.134
  409    HA   THR  48           HA       THR  48  -6.182  -7.174  -8.953
  410    HB   THR  48           HB       THR  48  -6.022  -9.953  -9.778
  411    HG1  THR  48           HG1      THR  48  -4.722  -7.976 -11.370
  412   1HG2  THR  48          HG21      THR  48  -7.267  -7.471 -10.966
  413   2HG2  THR  48          HG22      THR  48  -8.059  -8.677  -9.954
  414   3HG2  THR  48          HG23      THR  48  -7.527  -9.104 -11.579
  415    H    GLU  49           HN       GLU  49  -7.447  -9.381  -8.061
  416    HA   GLU  49           HA       GLU  49  -6.650  -9.389  -5.319
  417   1HB   GLU  49          HB2       GLU  49  -8.793 -10.978  -6.740
  418   2HB   GLU  49          HB3       GLU  49  -8.612 -10.855  -4.994
  419   1HG   GLU  49          HG2       GLU  49  -8.689  -8.224  -6.027
  420   2HG   GLU  49          HG3       GLU  49 -10.002  -9.133  -6.776
  421    H    GLU  50           HN       GLU  50  -6.188 -11.523  -8.004
  422    HA   GLU  50           HA       GLU  50  -5.384 -13.783  -6.417
  423   1HB   GLU  50          HB2       GLU  50  -4.932 -13.243  -9.355
  424   2HB   GLU  50          HB3       GLU  50  -4.763 -14.794  -8.541
  425   1HG   GLU  50          HG2       GLU  50  -7.367 -13.370  -8.391
  426   2HG   GLU  50          HG3       GLU  50  -6.928 -14.195  -9.886
  427    H    THR  51           HN       THR  51  -3.945 -10.922  -7.579
  428    HA   THR  51           HA       THR  51  -1.233 -11.956  -7.126
  429    HB   THR  51           HB       THR  51  -0.898  -9.448  -8.170
  430    HG1  THR  51           HG1      THR  51  -2.693 -10.245 -10.038
  431   1HG2  THR  51          HG21      THR  51  -1.290 -11.497 -10.219
  432   2HG2  THR  51          HG22      THR  51  -0.281 -12.017  -8.868
  433   3HG2  THR  51          HG23      THR  51   0.158 -10.582  -9.798
  434    H    VAL  52           HN       VAL  52  -3.300 -11.057  -5.127
  435    HA   VAL  52           HA       VAL  52  -1.596  -9.161  -3.702
  436    HB   VAL  52           HB       VAL  52  -3.633  -8.090  -4.976
  437   1HG1  VAL  52          HG11      VAL  52  -5.415  -7.987  -2.890
  438   2HG1  VAL  52          HG12      VAL  52  -5.613  -8.912  -4.380
  439   3HG1  VAL  52          HG13      VAL  52  -4.953  -9.689  -2.942
  440   1HG2  VAL  52          HG21      VAL  52  -2.934  -7.462  -2.115
  441   2HG2  VAL  52          HG22      VAL  52  -2.159  -6.825  -3.565
  442   3HG2  VAL  52          HG23      VAL  52  -3.826  -6.385  -3.188
  443    H    VAL  53           HN       VAL  53  -2.731  -8.860  -1.390
  444    HA   VAL  53           HA       VAL  53  -2.732  -9.895   0.637
  445    HB   VAL  53           HB       VAL  53  -4.853 -11.183   1.071
  446   1HG1  VAL  53          HG11      VAL  53  -4.647  -8.406   0.074
  447   2HG1  VAL  53          HG12      VAL  53  -6.264  -9.056   0.349
  448   3HG1  VAL  53          HG13      VAL  53  -5.095  -9.015   1.669
  449   1HG2  VAL  53          HG21      VAL  53  -5.524 -10.430  -1.776
  450   2HG2  VAL  53          HG22      VAL  53  -5.180 -12.067  -1.218
  451   3HG2  VAL  53          HG23      VAL  53  -6.591 -11.207  -0.607
  452    H    SER  54           HN       SER  54  -0.809 -11.159  -0.462
  453    HA   SER  54           HA       SER  54  -1.130 -13.903   0.478
  454   1HB   SER  54          HB2       SER  54   0.435 -14.482  -1.590
  455   2HB   SER  54          HB3       SER  54  -1.321 -14.453  -1.765
  456    HG   SER  54           HG       SER  54  -1.167 -12.763  -3.016
  457    H    GLN  55           HN       GLN  55   1.651 -12.987  -1.363
  458    HA   GLN  55           HA       GLN  55   3.170 -12.513   1.114
  459   1HB   GLN  55          HB2       GLN  55   3.746 -13.991  -1.278
  460   2HB   GLN  55          HB3       GLN  55   4.911 -12.683  -1.124
  461   1HG   GLN  55          HG2       GLN  55   4.295 -14.637   1.075
  462   2HG   GLN  55          HG3       GLN  55   5.601 -14.846  -0.089
  463   1HE2  GLN  55          HE21      GLN  55   7.468 -13.704   0.154
  464   2HE2  GLN  55          HE22      GLN  55   7.770 -12.633   1.481
  465    H    LEU  56           HN       LEU  56   1.485 -10.877  -0.996
  466    HA   LEU  56           HA       LEU  56   3.292  -8.714  -1.622
  467   1HB   LEU  56          HB2       LEU  56   0.949  -9.668  -2.733
  468   2HB   LEU  56          HB3       LEU  56   0.422  -8.215  -1.906
  469    HG   LEU  56           HG       LEU  56   2.584  -7.246  -3.188
  470   1HD1  LEU  56          HD11      LEU  56   2.211  -8.198  -5.581
  471   2HD1  LEU  56          HD12      LEU  56   3.287  -9.030  -4.458
  472   3HD1  LEU  56          HD13      LEU  56   1.647  -9.629  -4.717
  473   1HD2  LEU  56          HD21      LEU  56   1.079  -6.006  -4.340
  474   2HD2  LEU  56          HD22      LEU  56   0.137  -7.413  -4.835
  475   3HD2  LEU  56          HD23      LEU  56  -0.046  -6.758  -3.208
  476    H    ARG  57           HN       ARG  57   3.724  -7.109  -0.267
  477    HA   ARG  57           HA       ARG  57   1.688  -6.333   1.705
  478   1HB   ARG  57          HB2       ARG  57   4.641  -6.765   2.165
  479   2HB   ARG  57          HB3       ARG  57   3.639  -5.813   3.254
  480   1HG   ARG  57          HG2       ARG  57   2.299  -8.253   2.839
  481   2HG   ARG  57          HG3       ARG  57   3.995  -8.633   3.150
  482   1HD   ARG  57          HD2       ARG  57   3.169  -6.580   4.944
  483   2HD   ARG  57          HD3       ARG  57   1.990  -7.891   5.002
  484    HE   ARG  57           HE       ARG  57   4.392  -9.160   5.134
  485   1HH1  ARG  57          HH12      ARG  57   2.938  -6.573   7.010
  486   2HH1  ARG  57          HH11      ARG  57   3.754  -7.027   8.477
  487   1HH2  ARG  57          HH22      ARG  57   5.503  -9.711   7.047
  488   2HH2  ARG  57          HH21      ARG  57   5.208  -8.788   8.496
  489    H    ILE  58           HN       ILE  58   1.557  -4.109   2.092
  490    HA   ILE  58           HA       ILE  58   2.959  -2.524   0.042
  491    HB   ILE  58           HB       ILE  58   0.361  -1.842   1.424
  492   1HG1  ILE  58          HG12      ILE  58   0.027  -3.805   0.039
  493   2HG1  ILE  58          HG13      ILE  58  -0.694  -2.411  -0.754
  494   1HG2  ILE  58          HG21      ILE  58   2.124  -0.192   0.088
  495   2HG2  ILE  58          HG22      ILE  58   0.919  -0.586  -1.136
  496   3HG2  ILE  58          HG23      ILE  58   0.418   0.136   0.394
  497   1HD1  ILE  58          HD11      ILE  58   0.928  -2.359  -2.409
  498   2HD1  ILE  58          HD12      ILE  58   2.071  -3.304  -1.454
  499   3HD1  ILE  58          HD13      ILE  58   0.654  -4.082  -2.158
  500    H    CYS  59           HN       CYS  59   4.439  -1.162   0.697
  501    HA   CYS  59           HA       CYS  59   5.022  -0.594   3.380
  502   1HB   CYS  59          HB2       CYS  59   5.878   1.183   1.119
  503   2HB   CYS  59          HB3       CYS  59   6.778   0.700   2.554
  504    H    SER  60           HN       SER  60   4.766   1.259   4.603
  505    HA   SER  60           HA       SER  60   2.379   2.763   4.127
  506   1HB   SER  60          HB2       SER  60   3.881   3.951   6.209
  507   2HB   SER  60          HB3       SER  60   2.506   2.857   6.364
  508    HG   SER  60           HG       SER  60   3.932   1.109   6.352
  509    H    ALA  61           HN       ALA  61   5.402   3.020   2.861
  510    HA   ALA  61           HA       ALA  61   5.663   5.902   2.887
  511   1HB   ALA  61          HB1       ALA  61   7.782   5.308   2.550
  512   2HB   ALA  61          HB2       ALA  61   7.318   3.649   2.168
  513   3HB   ALA  61          HB3       ALA  61   7.333   4.876   0.900
  514    H    HIS  62           HN       HIS  62   3.729   3.770   1.289
  515    HA   HIS  62           HA       HIS  62   3.716   5.216  -1.252
  516   1HB   HIS  62          HB2       HIS  62   2.265   2.706  -0.363
  517   2HB   HIS  62          HB3       HIS  62   2.119   3.427  -1.961
  518    HD1  HIS  62           HD1      HIS  62   4.301   3.319  -3.502
  519    HD2  HIS  62           HD2      HIS  62   4.480   1.123   0.037
  520    HE1  HIS  62           HE1      HIS  62   6.260   1.718  -3.744
  521    H    PHE  63           HN       PHE  63   2.733   6.273   1.381
  522    HA   PHE  63           HA       PHE  63   0.030   7.031   0.510
  523   1HB   PHE  63          HB2       PHE  63   0.813   6.287   3.340
  524   2HB   PHE  63          HB3       PHE  63  -0.750   6.928   2.849
  525    HD1  PHE  63           HD1      PHE  63   1.495   4.028   2.667
  526    HD2  PHE  63           HD2      PHE  63  -2.402   5.541   1.863
  527    HE1  PHE  63           HE1      PHE  63   0.693   1.740   2.266
  528    HE2  PHE  63           HE2      PHE  63  -3.207   3.255   1.458
  529    HZ   PHE  63           HZ       PHE  63  -1.657   1.354   1.662
  530    H    GLU  64           HN       GLU  64  -0.640   9.101   1.187
  531    HA   GLU  64           HA       GLU  64   1.407  11.007   1.741
  532   1HB   GLU  64          HB2       GLU  64  -1.533  11.051   1.383
  533   2HB   GLU  64          HB3       GLU  64  -0.857  12.347   2.362
  534   1HG   GLU  64          HG2       GLU  64   0.245  11.680  -0.341
  535   2HG   GLU  64          HG3       GLU  64  -1.138  12.752  -0.140
  536    H    GLY  65           HN       GLY  65   2.390  11.185   3.636
  537   1HA   GLY  65          HA1       GLY  65   2.502  11.606   5.949
  538   2HA   GLY  65          HA2       GLY  65   0.822  11.109   6.101
  539    H    GLY  66           HN       GLY  66   1.027   8.632   4.749
  540   1HA   GLY  66          HA1       GLY  66   2.285   6.588   4.835
  541   2HA   GLY  66          HA2       GLY  66   3.015   7.146   6.332
  542    H    GLU  67           HN       GLU  67  -0.072   7.981   6.728
  543    HA   GLU  67           HA       GLU  67  -0.580   5.574   8.301
  544   1HB   GLU  67          HB2       GLU  67  -2.603   7.331   8.928
  545   2HB   GLU  67          HB3       GLU  67  -1.103   7.137   9.821
  546   1HG   GLU  67          HG2       GLU  67  -0.274   8.886   7.985
  547   2HG   GLU  67          HG3       GLU  67  -1.983   9.316   8.038
  548    H    LYS  68           HN       LYS  68  -1.905   4.077   7.597
  549    HA   LYS  68           HA       LYS  68  -3.751   4.611   5.415
  550   1HB   LYS  68          HB2       LYS  68  -2.630   2.592   5.085
  551   2HB   LYS  68          HB3       LYS  68  -2.726   2.149   6.783
  552   1HG   LYS  68          HG2       LYS  68  -5.360   2.223   6.063
  553   2HG   LYS  68          HG3       LYS  68  -4.585   1.627   4.594
  554   1HD   LYS  68          HD2       LYS  68  -5.160  -0.268   5.920
  555   2HD   LYS  68          HD3       LYS  68  -3.411  -0.074   6.007
  556   1HE   LYS  68          HE2       LYS  68  -3.644  -0.183   8.223
  557   2HE   LYS  68          HE3       LYS  68  -4.311   1.445   8.119
  558   1HZ   LYS  68          HZ1       LYS  68  -6.065  -0.902   7.773
  559   2HZ   LYS  68          HZ2       LYS  68  -6.472   0.662   8.285
  560   3HZ   LYS  68          HZ3       LYS  68  -5.639  -0.380   9.328
  561    H    LYS  69           HN       LYS  69  -5.628   5.548   6.005
  562    HA   LYS  69           HA       LYS  69  -7.056   4.591   8.353
  563   1HB   LYS  69          HB2       LYS  69  -7.715   6.598   6.194
  564   2HB   LYS  69          HB3       LYS  69  -8.897   6.092   7.391
  565   1HG   LYS  69          HG2       LYS  69  -7.656   7.038   9.159
  566   2HG   LYS  69          HG3       LYS  69  -6.234   7.259   8.138
  567   1HD   LYS  69          HD2       LYS  69  -7.415   8.921   6.814
  568   2HD   LYS  69          HD3       LYS  69  -8.878   8.666   7.767
  569   1HE   LYS  69          HE2       LYS  69  -8.055  10.504   8.828
  570   2HE   LYS  69          HE3       LYS  69  -7.247   9.247   9.763
  571   1HZ   LYS  69          HZ1       LYS  69  -5.662   9.839   7.532
  572   2HZ   LYS  69          HZ2       LYS  69  -5.310  10.098   9.170
  573   3HZ   LYS  69          HZ3       LYS  69  -6.089  11.308   8.268
  574    H    GLU  70           HN       GLU  70  -9.419   3.925   7.935
  575    HA   GLU  70           HA       GLU  70  -9.402   1.704   6.125
  576   1HB   GLU  70          HB2       GLU  70 -11.738   2.814   7.688
  577   2HB   GLU  70          HB3       GLU  70 -11.593   1.202   7.003
  578   1HG   GLU  70          HG2       GLU  70 -10.022   2.355   9.293
  579   2HG   GLU  70          HG3       GLU  70 -11.223   1.068   9.357
  580    H    GLY  71           HN       GLY  71  -8.940   3.100   4.282
  581   1HA   GLY  71          HA1       GLY  71 -10.854   3.416   2.411
  582   2HA   GLY  71          HA2       GLY  71 -10.995   4.903   3.339
  583    H    ASP  72           HN       ASP  72  -7.902   4.426   3.784
  584    HA   ASP  72           HA       ASP  72  -7.123   6.174   1.631
  585   1HB   ASP  72          HB2       ASP  72  -5.708   5.017   4.024
  586   2HB   ASP  72          HB3       ASP  72  -4.773   5.741   2.718
  587    H    ILE  73           HN       ILE  73  -6.647   5.463  -0.307
  588    HA   ILE  73           HA       ILE  73  -5.635   2.765  -0.726
  589    HB   ILE  73           HB       ILE  73  -6.147   4.858  -2.840
  590   1HG1  ILE  73          HG12      ILE  73  -8.157   2.845  -1.830
  591   2HG1  ILE  73          HG13      ILE  73  -8.137   4.534  -1.332
  592   1HG2  ILE  73          HG21      ILE  73  -6.433   1.877  -3.068
  593   2HG2  ILE  73          HG22      ILE  73  -6.303   3.072  -4.360
  594   3HG2  ILE  73          HG23      ILE  73  -4.901   2.706  -3.355
  595   1HD1  ILE  73          HD11      ILE  73  -9.205   5.167  -3.163
  596   2HD1  ILE  73          HD12      ILE  73  -8.089   4.283  -4.203
  597   3HD1  ILE  73          HD13      ILE  73  -9.478   3.456  -3.497
  598    HA   PRO  74           HA       PRO  74  -1.439   4.256  -0.965
  599   1HB   PRO  74          HB2       PRO  74  -0.341   2.352  -2.570
  600   2HB   PRO  74          HB3       PRO  74  -0.704   2.086  -0.862
  601   1HG   PRO  74          HG2       PRO  74  -2.265   1.281  -3.280
  602   2HG   PRO  74          HG3       PRO  74  -1.950   0.365  -1.794
  603   1HD   PRO  74          HD2       PRO  74  -4.294   1.635  -2.262
  604   2HD   PRO  74          HD3       PRO  74  -3.623   1.434  -0.633
  605    H    VAL  75           HN       VAL  75   0.096   5.111  -2.506
  606    HA   VAL  75           HA       VAL  75  -0.873   5.337  -5.266
  607    HB   VAL  75           HB       VAL  75   0.184   7.732  -5.187
  608   1HG1  VAL  75          HG11      VAL  75  -2.284   6.927  -5.461
  609   2HG1  VAL  75          HG12      VAL  75  -2.477   7.562  -3.828
  610   3HG1  VAL  75          HG13      VAL  75  -1.943   8.624  -5.129
  611   1HG2  VAL  75          HG21      VAL  75  -0.507   8.767  -2.902
  612   2HG2  VAL  75          HG22      VAL  75  -0.305   7.122  -2.297
  613   3HG2  VAL  75          HG23      VAL  75   1.052   7.958  -3.055
  614    HA   PRO  76           HA       PRO  76   3.235   4.253  -6.338
  615   1HB   PRO  76          HB2       PRO  76   3.708   5.724  -8.582
  616   2HB   PRO  76          HB3       PRO  76   2.639   4.318  -8.555
  617   1HG   PRO  76          HG2       PRO  76   1.955   7.224  -8.463
  618   2HG   PRO  76          HG3       PRO  76   1.151   5.911  -9.341
  619   1HD   PRO  76          HD2       PRO  76   0.209   6.939  -6.999
  620   2HD   PRO  76          HD3       PRO  76  -0.047   5.248  -7.492
  621    H    ASP  77           HN       ASP  77   2.479   7.589  -5.911
  622    HA   ASP  77           HA       ASP  77   4.876   8.171  -4.505
  623   1HB   ASP  77          HB2       ASP  77   5.608   8.282  -6.947
  624   2HB   ASP  77          HB3       ASP  77   4.533   9.667  -7.107
  625    HA   PRO  78           HA       PRO  78   1.475  10.647  -2.951
  626   1HB   PRO  78          HB2       PRO  78   3.530  11.534  -1.023
  627   2HB   PRO  78          HB3       PRO  78   1.956  10.789  -0.727
  628   1HG   PRO  78          HG2       PRO  78   4.228   9.424  -0.358
  629   2HG   PRO  78          HG3       PRO  78   2.771   8.642  -0.999
  630   1HD   PRO  78          HD2       PRO  78   5.218   9.576  -2.454
  631   2HD   PRO  78          HD3       PRO  78   4.263   8.096  -2.688
  632    H    THR  79           HN       THR  79   4.642  11.709  -3.896
  633    HA   THR  79           HA       THR  79   3.866  14.517  -3.719
  634    HB   THR  79           HB       THR  79   6.441  14.466  -4.727
  635    HG1  THR  79           HG1      THR  79   6.406  12.125  -4.270
  636   1HG2  THR  79          HG21      THR  79   5.565  15.882  -2.919
  637   2HG2  THR  79          HG22      THR  79   7.095  15.125  -2.474
  638   3HG2  THR  79          HG23      THR  79   5.578  14.490  -1.837
  639    H    VAL  80           HN       VAL  80   4.989  12.144  -6.115
  640    HA   VAL  80           HA       VAL  80   4.760  14.035  -8.287
  641    HB   VAL  80           HB       VAL  80   5.304  11.062  -8.317
  642   1HG1  VAL  80          HG11      VAL  80   4.919  13.024 -10.489
  643   2HG1  VAL  80          HG12      VAL  80   6.294  11.933 -10.655
  644   3HG1  VAL  80          HG13      VAL  80   4.666  11.279 -10.475
  645   1HG2  VAL  80          HG21      VAL  80   7.533  12.503  -9.192
  646   2HG2  VAL  80          HG22      VAL  80   6.947  13.358  -7.764
  647   3HG2  VAL  80          HG23      VAL  80   7.347  11.641  -7.664
  648    H    ASP  81           HN       ASP  81   2.862  11.325  -7.026
  649    HA   ASP  81           HA       ASP  81   0.902  11.759  -9.170
  650   1HB   ASP  81          HB2       ASP  81   1.874   9.404  -8.298
  651   2HB   ASP  81          HB3       ASP  81   0.484   9.555  -7.225
  652    H    LYS  82           HN       LYS  82  -1.435  11.090  -8.162
  653    HA   LYS  82           HA       LYS  82  -1.829  13.091  -6.036
  654   1HB   LYS  82          HB2       LYS  82  -3.315  12.421  -8.493
  655   2HB   LYS  82          HB3       LYS  82  -4.321  12.682  -7.074
  656   1HG   LYS  82          HG2       LYS  82  -3.924  14.892  -7.044
  657   2HG   LYS  82          HG3       LYS  82  -2.225  14.695  -7.476
  658   1HD   LYS  82          HD2       LYS  82  -4.056  13.993  -9.636
  659   2HD   LYS  82          HD3       LYS  82  -4.198  15.674  -9.119
  660   1HE   LYS  82          HE2       LYS  82  -1.477  15.288  -9.219
  661   2HE   LYS  82          HE3       LYS  82  -2.061  14.334 -10.583
  662   1HZ   LYS  82          HZ1       LYS  82  -2.660  16.160 -11.712
  663   2HZ   LYS  82          HZ2       LYS  82  -1.580  16.966 -10.687
  664   3HZ   LYS  82          HZ3       LYS  82  -3.240  16.967 -10.341
  665    H    GLN  83           HN       GLN  83  -1.770  11.986  -4.196
  666    HA   GLN  83           HA       GLN  83  -2.432   9.520  -3.424
  667   1HB   GLN  83          HB2       GLN  83  -1.668  11.056  -1.791
  668   2HB   GLN  83          HB3       GLN  83  -3.026  12.135  -2.056
  669   1HG   GLN  83          HG2       GLN  83  -3.329  11.036   0.036
  670   2HG   GLN  83          HG3       GLN  83  -4.524  10.407  -1.098
  671   1HE2  GLN  83          HE21      GLN  83  -4.767   8.302  -1.086
  672   2HE2  GLN  83          HE22      GLN  83  -3.587   7.131  -0.609
  673    H    ILE  84           HN       ILE  84  -4.068   8.260  -4.007
  674    HA   ILE  84           HA       ILE  84  -6.720   9.410  -4.254
  675    HB   ILE  84           HB       ILE  84  -7.217   6.936  -5.030
  676   1HG1  ILE  84          HG12      ILE  84  -4.496   7.073  -6.204
  677   2HG1  ILE  84          HG13      ILE  84  -4.605   6.545  -4.527
  678   1HG2  ILE  84          HG21      ILE  84  -5.746   8.744  -6.914
  679   2HG2  ILE  84          HG22      ILE  84  -7.099   7.664  -7.253
  680   3HG2  ILE  84          HG23      ILE  84  -7.353   9.124  -6.297
  681   1HD1  ILE  84          HD11      ILE  84  -6.369   4.895  -5.379
  682   2HD1  ILE  84          HD12      ILE  84  -5.735   5.268  -6.981
  683   3HD1  ILE  84          HD13      ILE  84  -4.676   4.580  -5.752
  684    H    LYS  85           HN       LYS  85  -8.072   9.275  -2.595
  685    HA   LYS  85           HA       LYS  85  -7.993   6.886  -0.905
  686   1HB   LYS  85          HB2       LYS  85  -8.172   8.246   1.130
  687   2HB   LYS  85          HB3       LYS  85  -6.664   8.546   0.280
  688   1HG   LYS  85          HG2       LYS  85  -7.370  10.655  -0.455
  689   2HG   LYS  85          HG3       LYS  85  -9.058  10.321  -0.066
  690   1HD   LYS  85          HD2       LYS  85  -6.853  10.501   1.981
  691   2HD   LYS  85          HD3       LYS  85  -7.911  11.844   1.549
  692   1HE   LYS  85          HE2       LYS  85  -9.445  11.107   2.975
  693   2HE   LYS  85          HE3       LYS  85  -9.536   9.582   2.095
  694   1HZ   LYS  85          HZ1       LYS  85  -7.881  10.253   4.450
  695   2HZ   LYS  85          HZ2       LYS  85  -7.464   8.957   3.437
  696   3HZ   LYS  85          HZ3       LYS  85  -8.961   8.960   4.241
  697    H    ILE  86           HN       ILE  86  -9.957   6.456   0.195
  698    HA   ILE  86           HA       ILE  86 -12.279   7.806  -0.997
  699    HB   ILE  86           HB       ILE  86 -12.545   5.301   0.618
  700   1HG1  ILE  86          HG12      ILE  86 -12.171   4.940  -2.294
  701   2HG1  ILE  86          HG13      ILE  86 -10.709   5.290  -1.376
  702   1HG2  ILE  86          HG21      ILE  86 -14.561   5.078  -0.426
  703   2HG2  ILE  86          HG22      ILE  86 -14.387   6.832  -0.518
  704   3HG2  ILE  86          HG23      ILE  86 -13.997   5.831  -1.917
  705   1HD1  ILE  86          HD11      ILE  86 -11.366   2.845  -1.758
  706   2HD1  ILE  86          HD12      ILE  86 -10.882   3.331  -0.132
  707   3HD1  ILE  86          HD13      ILE  86 -12.591   3.125  -0.520
  708    H    GLU  87           HN       GLU  87 -13.739   8.846   0.262
  709    HA   GLU  87           HA       GLU  87 -12.944   9.415   2.978
  710   1HB   GLU  87          HB2       GLU  87 -13.958  11.054   1.199
  711   2HB   GLU  87          HB3       GLU  87 -15.494  10.413   1.770
  712   1HG   GLU  87          HG2       GLU  87 -15.095  12.377   3.002
  713   2HG   GLU  87          HG3       GLU  87 -14.761  11.034   4.094
  714    H    LEU  88           HN       LEU  88 -13.663   8.387   4.698
  715    HA   LEU  88           HA       LEU  88 -15.707   6.374   4.474
  716   1HB   LEU  88          HB2       LEU  88 -13.678   6.106   5.889
  717   2HB   LEU  88          HB3       LEU  88 -14.248   7.411   6.910
  718    HG   LEU  88           HG       LEU  88 -16.384   5.784   7.041
  719   1HD1  LEU  88          HD11      LEU  88 -14.627   3.599   7.466
  720   2HD1  LEU  88          HD12      LEU  88 -15.990   3.716   6.352
  721   3HD1  LEU  88          HD13      LEU  88 -14.376   4.195   5.825
  722   1HD2  LEU  88          HD21      LEU  88 -15.753   6.226   9.131
  723   2HD2  LEU  88          HD22      LEU  88 -14.765   4.769   9.027
  724   3HD2  LEU  88          HD23      LEU  88 -14.053   6.344   8.678
  725    HA   PRO  89           HA       PRO  89 -19.251   8.915   5.419
  726   1HB   PRO  89          HB2       PRO  89 -20.507   6.890   6.923
  727   2HB   PRO  89          HB3       PRO  89 -20.751   7.234   5.210
  728   1HG   PRO  89          HG2       PRO  89 -19.042   5.179   6.508
  729   2HG   PRO  89          HG3       PRO  89 -19.908   5.114   4.962
  730   1HD   PRO  89          HD2       PRO  89 -17.249   5.435   5.068
  731   2HD   PRO  89          HD3       PRO  89 -18.232   6.255   3.836
  732    HA   PRO  90           HA       PRO  90 -18.256  10.934   9.169
  733   1HB   PRO  90          HB2       PRO  90 -21.220  10.790   9.599
  734   2HB   PRO  90          HB3       PRO  90 -20.122  12.159   9.810
  735   1HG   PRO  90          HG2       PRO  90 -21.632  11.953   7.626
  736   2HG   PRO  90          HG3       PRO  90 -19.970  12.562   7.533
  737   1HD   PRO  90          HD2       PRO  90 -21.084   9.966   6.646
  738   2HD   PRO  90          HD3       PRO  90 -19.664  10.849   6.053
  739    H    LYS  91           HN       LYS  91 -17.462  10.089  10.945
  740    HA   LYS  91           HA       LYS  91 -18.669   7.689  12.090
  741   1HB   LYS  91          HB2       LYS  91 -16.033   8.420  11.599
  742   2HB   LYS  91          HB3       LYS  91 -16.207   8.646  13.334
  743   1HG   LYS  91          HG2       LYS  91 -17.399   6.201  12.884
  744   2HG   LYS  91          HG3       LYS  91 -16.017   6.203  11.785
  745   1HD   LYS  91          HD2       LYS  91 -15.010   5.406  13.679
  746   2HD   LYS  91          HD3       LYS  91 -14.769   7.138  13.919
  747   1HE   LYS  91          HE2       LYS  91 -17.293   6.574  14.985
  748   2HE   LYS  91          HE3       LYS  91 -16.257   5.250  15.512
  749   1HZ   LYS  91          HZ1       LYS  91 -15.621   8.132  15.862
  750   2HZ   LYS  91          HZ2       LYS  91 -14.727   6.819  16.460
  751   3HZ   LYS  91          HZ3       LYS  91 -16.282   7.135  17.064
  Start of MODEL   17
    1   1H    GLY   1          H1        GLY   1   9.733  -6.023  11.515
    2   2H    GLY   1          H2        GLY   1   8.555  -6.868  10.630
    3   3H    GLY   1          H3        GLY   1  10.114  -6.670   9.997
    4   1HA   GLY   1          HA2       GLY   1  10.080  -7.939  12.574
    5   2HA   GLY   1          HA1       GLY   1   9.256  -8.854  11.317
    6    H    SER   2           HN       SER   2  11.168 -10.305  11.942
    7    HA   SER   2           HA       SER   2  13.759  -9.561  10.990
    8   1HB   SER   2          HB2       SER   2  13.686 -12.343  11.106
    9   2HB   SER   2          HB3       SER   2  14.210 -11.257  12.391
   10    HG   SER   2           HG       SER   2  12.439 -12.865  12.826
   11    H    MET   3           HN       MET   3  10.981 -11.157   9.609
   12    HA   MET   3           HA       MET   3  12.299 -12.346   7.403
   13   1HB   MET   3          HB2       MET   3  10.200 -12.974   6.661
   14   2HB   MET   3          HB3       MET   3   9.913 -12.769   8.382
   15   1HG   MET   3          HG2       MET   3   9.430 -10.491   6.521
   16   2HG   MET   3          HG3       MET   3   8.246 -11.792   6.646
   17   1HE   MET   3          HE1       MET   3   6.385 -10.816   7.362
   18   2HE   MET   3          HE2       MET   3   6.039 -10.084   8.928
   19   3HE   MET   3          HE3       MET   3   6.726  -9.108   7.633
   20    HA   PRO   4           HA       PRO   4  13.049  -8.890   4.738
   21   1HB   PRO   4          HB2       PRO   4  12.687 -10.177   2.329
   22   2HB   PRO   4          HB3       PRO   4  14.174 -10.247   3.280
   23   1HG   PRO   4          HG2       PRO   4  11.921 -12.212   3.139
   24   2HG   PRO   4          HG3       PRO   4  13.669 -12.513   3.170
   25   1HD   PRO   4          HD2       PRO   4  12.163 -12.826   5.358
   26   2HD   PRO   4          HD3       PRO   4  13.811 -12.167   5.460
   27    H    THR   5           HN       THR   5  11.575  -7.336   4.540
   28    HA   THR   5           HA       THR   5   8.847  -8.082   3.789
   29    HB   THR   5           HB       THR   5   9.187  -5.314   4.617
   30    HG1  THR   5           HG1      THR   5  10.327  -7.386   6.156
   31   1HG2  THR   5          HG21      THR   5   7.725  -7.204   6.329
   32   2HG2  THR   5          HG22      THR   5   7.210  -7.190   4.642
   33   3HG2  THR   5          HG23      THR   5   7.184  -5.699   5.585
   34    H    THR   6           HN       THR   6   9.219  -8.264   1.575
   35    HA   THR   6           HA       THR   6  10.227  -6.013   0.072
   36    HB   THR   6           HB       THR   6   8.956  -8.067  -1.525
   37    HG1  THR   6           HG1      THR   6  10.773  -9.596  -0.735
   38   1HG2  THR   6          HG21      THR   6  10.776  -7.738  -2.806
   39   2HG2  THR   6          HG22      THR   6  11.882  -7.930  -1.448
   40   3HG2  THR   6          HG23      THR   6  11.100  -6.377  -1.732
   41    H    CYS   7           HN       CYS   7   9.050  -4.832  -1.451
   42    HA   CYS   7           HA       CYS   7   6.328  -4.308  -0.770
   43   1HB   CYS   7          HB2       CYS   7   8.119  -2.644  -1.590
   44   2HB   CYS   7          HB3       CYS   7   7.759  -3.255  -3.198
   45    H    GLY   8           HN       GLY   8   4.516  -4.613  -2.018
   46   1HA   GLY   8          HA1       GLY   8   4.721  -6.717  -4.049
   47   2HA   GLY   8          HA2       GLY   8   3.244  -6.165  -3.275
   48    H    PHE   9           HN       PHE   9   4.907  -3.463  -3.988
   49    HA   PHE   9           HA       PHE   9   3.239  -2.702  -6.169
   50   1HB   PHE   9          HB2       PHE   9   5.075  -1.443  -4.371
   51   2HB   PHE   9          HB3       PHE   9   5.541  -1.021  -6.014
   52    HD1  PHE   9           HD1      PHE   9   2.571  -1.131  -3.772
   53    HD2  PHE   9           HD2      PHE   9   4.485   0.720  -7.088
   54    HE1  PHE   9           HE1      PHE   9   0.802   0.580  -3.833
   55    HE2  PHE   9           HE2      PHE   9   2.720   2.431  -7.158
   56    HZ   PHE   9           HZ       PHE   9   0.878   2.365  -5.529
   57    HA   PRO  10           HA       PRO  10   5.504  -3.986  -9.803
   58   1HB   PRO  10          HB2       PRO  10   5.392  -1.109 -10.578
   59   2HB   PRO  10          HB3       PRO  10   4.963  -2.543 -11.518
   60   1HG   PRO  10          HG2       PRO  10   3.070  -1.002 -10.446
   61   2HG   PRO  10          HG3       PRO  10   2.899  -2.768 -10.486
   62   1HD   PRO  10          HD2       PRO  10   3.547  -0.979  -8.194
   63   2HD   PRO  10          HD3       PRO  10   2.650  -2.507  -8.215
   64    H    ASN  11           HN       ASN  11   6.469  -1.096  -8.112
   65    HA   ASN  11           HA       ASN  11   9.164  -1.930  -7.870
   66   1HB   ASN  11          HB2       ASN  11   8.617  -0.565 -10.261
   67   2HB   ASN  11          HB3       ASN  11   9.377   0.628  -9.210
   68   1HD2  ASN  11          HD21      ASN  11   9.763  -2.806 -10.002
   69   2HD2  ASN  11          HD22      ASN  11  11.486  -2.743 -10.191
   70    H    CYS  12           HN       CYS  12   9.596  -1.289  -5.869
   71    HA   CYS  12           HA       CYS  12   8.384   1.164  -4.856
   72   1HB   CYS  12          HB2       CYS  12   8.304  -1.059  -3.592
   73   2HB   CYS  12          HB3       CYS  12  10.019  -0.813  -3.276
   74    H    LYS  13           HN       LYS  13   9.519   2.929  -5.165
   75    HA   LYS  13           HA       LYS  13  12.422   2.850  -5.302
   76   1HB   LYS  13          HB2       LYS  13  12.098   5.341  -5.783
   77   2HB   LYS  13          HB3       LYS  13  11.495   4.204  -6.981
   78   1HG   LYS  13          HG2       LYS  13   9.414   4.943  -6.769
   79   2HG   LYS  13          HG3       LYS  13   9.479   4.851  -5.008
   80   1HD   LYS  13          HD2       LYS  13   9.201   7.110  -5.300
   81   2HD   LYS  13          HD3       LYS  13  10.963   7.006  -5.278
   82   1HE   LYS  13          HE2       LYS  13  11.132   7.666  -7.408
   83   2HE   LYS  13          HE3       LYS  13   9.826   6.602  -7.928
   84   1HZ   LYS  13          HZ1       LYS  13   8.506   8.352  -8.076
   85   2HZ   LYS  13          HZ2       LYS  13   9.763   9.371  -7.569
   86   3HZ   LYS  13          HZ3       LYS  13   8.716   8.693  -6.423
   87    H    PHE  14           HN       PHE  14  10.462   2.767  -2.796
   88    HA   PHE  14           HA       PHE  14  11.486   5.082  -1.343
   89   1HB   PHE  14          HB2       PHE  14   9.350   3.050  -0.690
   90   2HB   PHE  14          HB3       PHE  14   9.861   4.307   0.429
   91    HD1  PHE  14           HD1      PHE  14  10.075   6.692  -1.027
   92    HD2  PHE  14           HD2      PHE  14   7.306   3.516  -1.609
   93    HE1  PHE  14           HE1      PHE  14   8.501   8.265  -2.070
   94    HE2  PHE  14           HE2      PHE  14   5.720   5.086  -2.651
   95    HZ   PHE  14           HZ       PHE  14   6.317   7.463  -2.882
   96    H    ARG  15           HN       ARG  15  11.185   1.573  -0.756
   97    HA   ARG  15           HA       ARG  15  12.712   1.605   1.601
   98   1HB   ARG  15          HB2       ARG  15  12.874  -0.882   1.242
   99   2HB   ARG  15          HB3       ARG  15  11.244  -0.225   1.250
  100   1HG   ARG  15          HG2       ARG  15  10.857  -0.828  -0.871
  101   2HG   ARG  15          HG3       ARG  15  12.478  -0.371  -1.401
  102   1HD   ARG  15          HD2       ARG  15  12.920  -2.564   0.216
  103   2HD   ARG  15          HD3       ARG  15  11.430  -2.975  -0.634
  104    HE   ARG  15           HE       ARG  15  13.182  -2.004  -2.549
  105   1HH1  ARG  15          HH12      ARG  15  13.074  -4.710  -0.305
  106   2HH1  ARG  15          HH11      ARG  15  14.028  -5.737  -1.335
  107   1HH2  ARG  15          HH22      ARG  15  14.450  -3.352  -3.868
  108   2HH2  ARG  15          HH21      ARG  15  14.800  -4.982  -3.358
  109    H    SER  16           HN       SER  16  13.693   1.692  -1.681
  110    HA   SER  16           HA       SER  16  16.371   0.701  -1.091
  111   1HB   SER  16          HB2       SER  16  16.343   1.514  -3.738
  112   2HB   SER  16          HB3       SER  16  16.042  -0.126  -3.160
  113    HG   SER  16           HG       SER  16  14.133   0.125  -3.985
  114    H    ARG  17           HN       ARG  17  14.771   3.608  -0.907
  115    HA   ARG  17           HA       ARG  17  16.621   5.387  -2.102
  116   1HB   ARG  17          HB2       ARG  17  14.206   5.844  -1.321
  117   2HB   ARG  17          HB3       ARG  17  14.909   6.092   0.272
  118   1HG   ARG  17          HG2       ARG  17  15.544   8.150  -0.255
  119   2HG   ARG  17          HG3       ARG  17  16.355   7.588  -1.719
  120   1HD   ARG  17          HD2       ARG  17  14.791   8.806  -2.774
  121   2HD   ARG  17          HD3       ARG  17  13.758   7.410  -2.470
  122    HE   ARG  17           HE       ARG  17  13.447   8.912  -0.231
  123   1HH1  ARG  17          HH12      ARG  17  13.253   9.723  -3.635
  124   2HH1  ARG  17          HH11      ARG  17  11.968  10.872  -3.423
  125   1HH2  ARG  17          HH22      ARG  17  11.772  10.440   0.062
  126   2HH2  ARG  17          HH21      ARG  17  11.140  11.301  -1.312
  127    H    TYR  18           HN       TYR  18  16.447   3.853   1.019
  128    HA   TYR  18           HA       TYR  18  18.861   5.275   1.889
  129   1HB   TYR  18          HB2       TYR  18  17.670   3.466   3.843
  130   2HB   TYR  18          HB3       TYR  18  18.086   5.169   3.999
  131    HD1  TYR  18           HD1      TYR  18  16.434   6.898   3.205
  132    HD2  TYR  18           HD2      TYR  18  15.437   2.775   3.524
  133    HE1  TYR  18           HE1      TYR  18  14.045   7.479   3.170
  134    HE2  TYR  18           HE2      TYR  18  13.048   3.346   3.488
  135    HH   TYR  18           HH       TYR  18  11.536   4.958   3.154
  136    H    ARG  19           HN       ARG  19  20.288   3.755   3.338
  137    HA   ARG  19           HA       ARG  19  21.271   1.776   1.515
  138   1HB   ARG  19          HB2       ARG  19  22.184   2.764   4.201
  139   2HB   ARG  19          HB3       ARG  19  22.969   1.405   3.411
  140   1HG   ARG  19          HG2       ARG  19  22.982   4.285   2.692
  141   2HG   ARG  19          HG3       ARG  19  24.302   3.115   2.711
  142   1HD   ARG  19          HD2       ARG  19  22.054   2.935   0.725
  143   2HD   ARG  19          HD3       ARG  19  23.471   3.943   0.435
  144    HE   ARG  19           HE       ARG  19  23.329   1.051   0.382
  145   1HH1  ARG  19          HH12      ARG  19  25.402   3.873   0.568
  146   2HH1  ARG  19          HH11      ARG  19  26.825   3.026   0.024
  147   1HH2  ARG  19          HH22      ARG  19  25.185  -0.061  -0.344
  148   2HH2  ARG  19          HH21      ARG  19  26.696   0.784  -0.499
  149    H    GLY  20           HN       GLY  20  19.228   0.508   1.646
  150   1HA   GLY  20          HA1       GLY  20  18.198  -1.469   2.172
  151   2HA   GLY  20          HA2       GLY  20  19.807  -1.995   2.635
  152    H    LEU  21           HN       LEU  21  17.156   0.002   3.957
  153    HA   LEU  21           HA       LEU  21  17.656  -1.299   6.552
  154   1HB   LEU  21          HB2       LEU  21  16.595   1.443   5.900
  155   2HB   LEU  21          HB3       LEU  21  16.456   0.732   7.497
  156    HG   LEU  21           HG       LEU  21  19.184   0.607   6.553
  157   1HD1  LEU  21          HD11      LEU  21  17.707   3.137   6.189
  158   2HD1  LEU  21          HD12      LEU  21  19.277   3.246   6.985
  159   3HD1  LEU  21          HD13      LEU  21  19.149   2.536   5.374
  160   1HD2  LEU  21          HD21      LEU  21  17.958   2.096   8.869
  161   2HD2  LEU  21          HD22      LEU  21  18.368   0.380   8.892
  162   3HD2  LEU  21          HD23      LEU  21  19.638   1.588   8.695
  163    H    GLU  22           HN       GLU  22  15.702  -1.531   4.013
  164    HA   GLU  22           HA       GLU  22  13.595  -2.232   3.565
  165   1HB   GLU  22          HB2       GLU  22  14.457  -3.711   5.730
  166   2HB   GLU  22          HB3       GLU  22  12.899  -3.101   6.271
  167   1HG   GLU  22          HG2       GLU  22  11.891  -4.683   5.114
  168   2HG   GLU  22          HG3       GLU  22  12.554  -4.013   3.626
  169    H    ASP  23           HN       ASP  23  14.146   0.436   4.835
  170    HA   ASP  23           HA       ASP  23  13.012   2.347   5.211
  171   1HB   ASP  23          HB2       ASP  23  11.324   1.162   3.599
  172   2HB   ASP  23          HB3       ASP  23  10.341   1.015   5.054
  173    H    ASN  24           HN       ASN  24  11.733  -0.456   6.914
  174    HA   ASN  24           HA       ASN  24  11.243  -0.818   9.102
  175   1HB   ASN  24          HB2       ASN  24  13.340   0.606   9.488
  176   2HB   ASN  24          HB3       ASN  24  12.244   1.952   9.774
  177   1HD2  ASN  24          HD21      ASN  24  12.526   2.287  11.885
  178   2HD2  ASN  24          HD22      ASN  24  12.228   1.118  13.120
  179    H    ARG  25           HN       ARG  25   9.433   0.343   7.216
  180    HA   ARG  25           HA       ARG  25   7.727   2.063   8.856
  181   1HB   ARG  25          HB2       ARG  25   8.373   2.239   6.230
  182   2HB   ARG  25          HB3       ARG  25   6.876   1.320   6.126
  183   1HG   ARG  25          HG2       ARG  25   5.601   3.046   6.884
  184   2HG   ARG  25          HG3       ARG  25   6.916   3.743   7.832
  185   1HD   ARG  25          HD2       ARG  25   7.070   3.712   4.847
  186   2HD   ARG  25          HD3       ARG  25   6.110   4.940   5.673
  187    HE   ARG  25           HE       ARG  25   9.016   4.631   5.729
  188   1HH1  ARG  25          HH12      ARG  25   6.163   6.273   6.963
  189   2HH1  ARG  25          HH11      ARG  25   7.044   7.669   7.514
  190   1HH2  ARG  25          HH22      ARG  25  10.180   6.429   6.493
  191   2HH2  ARG  25          HH21      ARG  25   9.348   7.742   7.280
  192    H    HIS  26           HN       HIS  26   5.271   1.560   8.428
  193    HA   HIS  26           HA       HIS  26   4.817  -1.139   9.359
  194   1HB   HIS  26          HB2       HIS  26   3.533   1.265   9.775
  195   2HB   HIS  26          HB3       HIS  26   2.463   0.431   8.655
  196    HD2  HIS  26           HD2      HIS  26   1.194   0.811  11.477
  197    HE1  HIS  26           HE1      HIS  26   2.470  -3.135  12.317
  198    HE2  HIS  26           HE2      HIS  26   0.777  -1.327  12.875
  199    H    PHE  27           HN       PHE  27   4.824  -2.689   7.899
  200    HA   PHE  27           HA       PHE  27   3.971  -2.191   5.172
  201   1HB   PHE  27          HB2       PHE  27   5.426  -4.379   6.580
  202   2HB   PHE  27          HB3       PHE  27   4.526  -4.805   5.128
  203    HD1  PHE  27           HD1      PHE  27   5.444  -4.434   3.019
  204    HD2  PHE  27           HD2      PHE  27   7.119  -2.487   6.413
  205    HE1  PHE  27           HE1      PHE  27   7.325  -3.652   1.639
  206    HE2  PHE  27           HE2      PHE  27   9.000  -1.694   5.039
  207    HZ   PHE  27           HZ       PHE  27   9.107  -2.278   2.648
  208    H    TYR  28           HN       TYR  28   1.898  -2.288   4.693
  209    HA   TYR  28           HA       TYR  28   0.049  -3.636   6.463
  210   1HB   TYR  28          HB2       TYR  28  -0.466  -2.157   3.877
  211   2HB   TYR  28          HB3       TYR  28  -1.693  -2.683   5.025
  212    HD1  TYR  28           HD1      TYR  28  -1.081  -1.855   7.559
  213    HD2  TYR  28           HD2      TYR  28   0.037   0.082   3.939
  214    HE1  TYR  28           HE1      TYR  28  -0.866   0.274   8.770
  215    HE2  TYR  28           HE2      TYR  28   0.254   2.213   5.140
  216    HH   TYR  28           HH       TYR  28  -0.725   2.542   8.498
  217    H    ARG  29           HN       ARG  29  -1.330  -5.338   5.926
  218    HA   ARG  29           HA       ARG  29  -0.277  -7.087   3.816
  219   1HB   ARG  29          HB2       ARG  29  -2.380  -8.270   5.424
  220   2HB   ARG  29          HB3       ARG  29  -0.729  -8.810   5.173
  221   1HG   ARG  29          HG2       ARG  29  -1.270  -6.561   7.055
  222   2HG   ARG  29          HG3       ARG  29  -1.575  -8.225   7.560
  223   1HD   ARG  29          HD2       ARG  29   0.604  -8.633   7.821
  224   2HD   ARG  29          HD3       ARG  29   0.995  -7.933   6.248
  225    HE   ARG  29           HE       ARG  29   1.459  -5.912   7.272
  226   1HH1  ARG  29          HH12      ARG  29   0.182  -8.187   9.613
  227   2HH1  ARG  29          HH11      ARG  29   0.496  -7.148  10.968
  228   1HH2  ARG  29          HH22      ARG  29   1.878  -4.564   9.053
  229   2HH2  ARG  29          HH21      ARG  29   1.445  -5.089  10.654
  230    H    ILE  30           HN       ILE  30  -1.910  -4.799   3.243
  231    HA   ILE  30           HA       ILE  30  -3.652  -4.085   2.007
  232    HB   ILE  30           HB       ILE  30  -3.955  -6.990   1.260
  233   1HG1  ILE  30          HG12      ILE  30  -2.724  -4.992  -0.558
  234   2HG1  ILE  30          HG13      ILE  30  -1.762  -5.527   0.816
  235   1HG2  ILE  30          HG21      ILE  30  -4.840  -5.623  -0.884
  236   2HG2  ILE  30          HG22      ILE  30  -5.898  -6.195   0.406
  237   3HG2  ILE  30          HG23      ILE  30  -5.333  -4.524   0.403
  238   1HD1  ILE  30          HD11      ILE  30  -1.779  -6.749  -1.563
  239   2HD1  ILE  30          HD12      ILE  30  -1.442  -7.574  -0.039
  240   3HD1  ILE  30          HD13      ILE  30  -3.056  -7.651  -0.746
  241    HA   PRO  31           HA       PRO  31  -6.908  -4.486   5.121
  242   1HB   PRO  31          HB2       PRO  31  -8.424  -2.579   3.725
  243   2HB   PRO  31          HB3       PRO  31  -7.338  -2.250   5.081
  244   1HG   PRO  31          HG2       PRO  31  -6.915  -1.951   2.161
  245   2HG   PRO  31          HG3       PRO  31  -6.268  -0.982   3.498
  246   1HD   PRO  31          HD2       PRO  31  -4.760  -2.754   2.150
  247   2HD   PRO  31          HD3       PRO  31  -4.529  -2.465   3.886
  248    H    LYS  32           HN       LYS  32  -7.764  -6.535   4.582
  249    HA   LYS  32           HA       LYS  32  -9.224  -6.870   2.112
  250   1HB   LYS  32          HB2       LYS  32  -8.246  -8.594   4.247
  251   2HB   LYS  32          HB3       LYS  32  -9.872  -9.027   3.736
  252   1HG   LYS  32          HG2       LYS  32  -8.131 -10.269   2.529
  253   2HG   LYS  32          HG3       LYS  32  -9.133  -9.292   1.455
  254   1HD   LYS  32          HD2       LYS  32  -7.224  -8.483   0.628
  255   2HD   LYS  32          HD3       LYS  32  -7.064  -7.594   2.145
  256   1HE   LYS  32          HE2       LYS  32  -6.088 -10.417   1.903
  257   2HE   LYS  32          HE3       LYS  32  -5.100  -9.071   1.343
  258   1HZ   LYS  32          HZ1       LYS  32  -5.529  -9.994   3.990
  259   2HZ   LYS  32          HZ2       LYS  32  -5.974  -8.362   3.859
  260   3HZ   LYS  32          HZ3       LYS  32  -4.415  -8.849   3.421
  261    H    ARG  33           HN       ARG  33  -9.872  -5.412   4.905
  262    HA   ARG  33           HA       ARG  33 -12.717  -5.355   4.387
  263   1HB   ARG  33          HB2       ARG  33 -13.015  -5.555   7.006
  264   2HB   ARG  33          HB3       ARG  33 -13.009  -6.980   5.980
  265   1HG   ARG  33          HG2       ARG  33 -10.706  -7.426   6.549
  266   2HG   ARG  33          HG3       ARG  33 -10.627  -5.940   7.500
  267   1HD   ARG  33          HD2       ARG  33 -12.371  -8.341   8.042
  268   2HD   ARG  33          HD3       ARG  33 -10.952  -7.848   8.962
  269    HE   ARG  33           HE       ARG  33 -13.595  -6.591   8.993
  270   1HH1  ARG  33          HH12      ARG  33 -10.283  -6.648  10.116
  271   2HH1  ARG  33          HH11      ARG  33 -10.557  -5.520  11.403
  272   1HH2  ARG  33          HH22      ARG  33 -13.981  -5.110  10.718
  273   2HH2  ARG  33          HH21      ARG  33 -12.656  -4.654  11.758
  274    HA   PRO  34           HA       PRO  34 -14.383  -4.100   4.619
  275   1HB   PRO  34          HB2       PRO  34 -15.019  -1.907   3.152
  276   2HB   PRO  34          HB3       PRO  34 -15.393  -2.056   4.872
  277   1HG   PRO  34          HG2       PRO  34 -13.120  -0.623   3.549
  278   2HG   PRO  34          HG3       PRO  34 -14.151  -0.090   4.891
  279   1HD   PRO  34          HD2       PRO  34 -11.673  -1.096   5.286
  280   2HD   PRO  34          HD3       PRO  34 -12.996  -1.337   6.446
  281    H    LEU  35           HN       LEU  35 -14.884  -4.879   2.575
  282    HA   LEU  35           HA       LEU  35 -12.760  -5.551   0.900
  283   1HB   LEU  35          HB2       LEU  35 -15.256  -6.454   1.161
  284   2HB   LEU  35          HB3       LEU  35 -15.484  -5.468  -0.271
  285    HG   LEU  35           HG       LEU  35 -13.133  -7.061  -0.624
  286   1HD1  LEU  35          HD11      LEU  35 -13.704  -9.179  -0.099
  287   2HD1  LEU  35          HD12      LEU  35 -14.704  -8.382   1.114
  288   3HD1  LEU  35          HD13      LEU  35 -15.419  -8.909  -0.409
  289   1HD2  LEU  35          HD21      LEU  35 -15.350  -6.149  -2.067
  290   2HD2  LEU  35          HD22      LEU  35 -13.960  -7.040  -2.687
  291   3HD2  LEU  35          HD23      LEU  35 -15.406  -7.908  -2.168
  292    H    ILE  36           HN       ILE  36 -14.975  -2.827   0.752
  293    HA   ILE  36           HA       ILE  36 -14.377  -1.949  -1.848
  294    HB   ILE  36           HB       ILE  36 -15.289  -0.461   0.609
  295   1HG1  ILE  36          HG12      ILE  36 -17.002  -1.846  -0.248
  296   2HG1  ILE  36          HG13      ILE  36 -17.368  -0.238  -0.863
  297   1HG2  ILE  36          HG21      ILE  36 -15.568   0.917  -1.972
  298   2HG2  ILE  36          HG22      ILE  36 -15.184   1.560  -0.374
  299   3HG2  ILE  36          HG23      ILE  36 -13.921   0.813  -1.350
  300   1HD1  ILE  36          HD11      ILE  36 -17.609  -1.299  -2.814
  301   2HD1  ILE  36          HD12      ILE  36 -15.848  -1.248  -2.874
  302   3HD1  ILE  36          HD13      ILE  36 -16.670  -2.695  -2.286
  303    H    LEU  37           HN       LEU  37 -12.804  -1.267   1.253
  304    HA   LEU  37           HA       LEU  37 -10.843   0.517   0.327
  305   1HB   LEU  37          HB2       LEU  37 -11.472  -0.747   2.748
  306   2HB   LEU  37          HB3       LEU  37  -9.846  -1.276   2.379
  307    HG   LEU  37           HG       LEU  37 -10.833   1.512   2.894
  308   1HD1  LEU  37          HD11      LEU  37  -8.652   1.323   4.329
  309   2HD1  LEU  37          HD12      LEU  37 -10.168   0.623   4.899
  310   3HD1  LEU  37          HD13      LEU  37  -8.943  -0.409   4.157
  311   1HD2  LEU  37          HD21      LEU  37  -8.481   2.218   2.335
  312   2HD2  LEU  37          HD22      LEU  37  -8.298   0.659   1.530
  313   3HD2  LEU  37          HD23      LEU  37  -9.509   1.807   0.961
  314    H    ARG  38           HN       ARG  38 -10.874  -2.992   0.655
  315    HA   ARG  38           HA       ARG  38  -8.283  -3.538  -0.240
  316   1HB   ARG  38          HB2       ARG  38  -9.734  -5.145   0.910
  317   2HB   ARG  38          HB3       ARG  38 -10.791  -5.210  -0.493
  318   1HG   ARG  38          HG2       ARG  38  -8.353  -5.828  -1.563
  319   2HG   ARG  38          HG3       ARG  38  -8.279  -6.577   0.034
  320   1HD   ARG  38          HD2       ARG  38  -9.222  -8.234  -1.289
  321   2HD   ARG  38          HD3       ARG  38 -10.618  -7.487  -0.516
  322    HE   ARG  38           HE       ARG  38 -10.621  -6.114  -2.732
  323   1HH1  ARG  38          HH12      ARG  38  -9.943  -9.522  -2.339
  324   2HH1  ARG  38          HH11      ARG  38 -10.488  -9.940  -3.944
  325   1HH2  ARG  38          HH22      ARG  38 -11.348  -6.675  -4.838
  326   2HH2  ARG  38          HH21      ARG  38 -11.294  -8.341  -5.347
  327    H    GLN  39           HN       GLN  39 -11.332  -3.294  -2.024
  328    HA   GLN  39           HA       GLN  39 -10.350  -4.080  -4.538
  329   1HB   GLN  39          HB2       GLN  39 -12.803  -3.555  -3.580
  330   2HB   GLN  39          HB3       GLN  39 -12.509  -2.039  -4.420
  331   1HG   GLN  39          HG2       GLN  39 -11.836  -4.387  -6.010
  332   2HG   GLN  39          HG3       GLN  39 -13.532  -4.317  -5.528
  333   1HE2  GLN  39          HE21      GLN  39 -14.849  -3.107  -6.702
  334   2HE2  GLN  39          HE22      GLN  39 -14.362  -1.901  -7.850
  335    H    ARG  40           HN       ARG  40 -10.691  -0.886  -3.047
  336    HA   ARG  40           HA       ARG  40  -9.660   0.512  -5.307
  337   1HB   ARG  40          HB2       ARG  40 -10.295   1.251  -2.478
  338   2HB   ARG  40          HB3       ARG  40  -9.371   2.358  -3.482
  339   1HG   ARG  40          HG2       ARG  40 -12.004   1.230  -4.348
  340   2HG   ARG  40          HG3       ARG  40 -11.864   2.686  -3.363
  341   1HD   ARG  40          HD2       ARG  40 -11.062   3.930  -5.080
  342   2HD   ARG  40          HD3       ARG  40 -10.168   2.578  -5.776
  343    HE   ARG  40           HE       ARG  40 -13.064   3.032  -6.109
  344   1HH1  ARG  40          HH12      ARG  40 -10.007   1.754  -7.271
  345   2HH1  ARG  40          HH11      ARG  40 -10.667   1.216  -8.781
  346   1HH2  ARG  40          HH22      ARG  40 -13.919   2.336  -8.092
  347   2HH2  ARG  40          HH21      ARG  40 -12.889   1.543  -9.250
  348    H    TRP  41           HN       TRP  41  -8.251  -1.064  -2.573
  349    HA   TRP  41           HA       TRP  41  -5.777   0.293  -2.539
  350   1HB   TRP  41          HB2       TRP  41  -6.998  -1.955  -1.208
  351   2HB   TRP  41          HB3       TRP  41  -5.325  -2.325  -1.614
  352    HD1  TRP  41           HD1      TRP  41  -7.132   0.772  -0.137
  353    HE1  TRP  41           HE1      TRP  41  -5.699   1.662   1.808
  354    HE3  TRP  41           HE3      TRP  41  -3.323  -2.629  -0.337
  355    HZ2  TRP  41           HZ2      TRP  41  -3.279   0.986   3.094
  356    HZ3  TRP  41           HZ3      TRP  41  -1.489  -2.437   1.289
  357    HH2  TRP  41           HH2      TRP  41  -1.477  -0.662   2.961
  358    H    LEU  42           HN       LEU  42  -7.045  -2.272  -4.493
  359    HA   LEU  42           HA       LEU  42  -4.567  -3.174  -5.562
  360   1HB   LEU  42          HB2       LEU  42  -7.243  -3.377  -6.925
  361   2HB   LEU  42          HB3       LEU  42  -5.851  -4.419  -7.131
  362    HG   LEU  42           HG       LEU  42  -7.712  -4.292  -4.765
  363   1HD1  LEU  42          HD11      LEU  42  -8.443  -5.593  -6.728
  364   2HD1  LEU  42          HD12      LEU  42  -6.964  -6.549  -6.621
  365   3HD1  LEU  42          HD13      LEU  42  -8.150  -6.605  -5.316
  366   1HD2  LEU  42          HD21      LEU  42  -4.972  -4.791  -4.650
  367   2HD2  LEU  42          HD22      LEU  42  -6.180  -5.185  -3.427
  368   3HD2  LEU  42          HD23      LEU  42  -5.732  -6.384  -4.641
  369    H    THR  43           HN       THR  43  -6.391  -0.361  -6.117
  370    HA   THR  43           HA       THR  43  -6.324   0.054  -8.833
  371    HB   THR  43           HB       THR  43  -5.929   2.196  -6.740
  372    HG1  THR  43           HG1      THR  43  -7.810   1.370  -6.149
  373   1HG2  THR  43          HG21      THR  43  -6.373   3.763  -8.311
  374   2HG2  THR  43          HG22      THR  43  -7.503   2.720  -9.180
  375   3HG2  THR  43          HG23      THR  43  -5.765   2.530  -9.419
  376    H    ALA  44           HN       ALA  44  -3.826   1.279  -6.554
  377    HA   ALA  44           HA       ALA  44  -2.331   2.333  -8.774
  378   1HB   ALA  44          HB1       ALA  44  -2.522   2.894  -6.044
  379   2HB   ALA  44          HB2       ALA  44  -0.856   2.384  -6.322
  380   3HB   ALA  44          HB3       ALA  44  -1.536   3.718  -7.252
  381    H    ILE  45           HN       ILE  45  -2.365  -0.662  -7.152
  382    HA   ILE  45           HA       ILE  45   0.384  -1.296  -7.875
  383    HB   ILE  45           HB       ILE  45  -0.927  -3.681  -7.177
  384   1HG1  ILE  45          HG12      ILE  45  -1.739  -1.392  -5.378
  385   2HG1  ILE  45          HG13      ILE  45  -2.808  -2.463  -6.275
  386   1HG2  ILE  45          HG21      ILE  45   1.411  -2.798  -6.679
  387   2HG2  ILE  45          HG22      ILE  45   0.685  -2.025  -5.269
  388   3HG2  ILE  45          HG23      ILE  45   0.629  -3.781  -5.441
  389   1HD1  ILE  45          HD11      ILE  45  -1.243  -2.993  -3.797
  390   2HD1  ILE  45          HD12      ILE  45  -2.942  -3.316  -4.149
  391   3HD1  ILE  45          HD13      ILE  45  -1.685  -4.329  -4.862
  392    H    GLY  46           HN       GLY  46  -2.788  -1.542  -9.123
  393   1HA   GLY  46          HA1       GLY  46  -3.638  -2.385 -11.071
  394   2HA   GLY  46          HA2       GLY  46  -1.980  -2.459 -11.657
  395    H    ARG  47           HN       ARG  47  -3.359  -4.144  -8.878
  396    HA   ARG  47           HA       ARG  47  -2.486  -6.654 -10.144
  397   1HB   ARG  47          HB2       ARG  47  -2.752  -5.997  -7.207
  398   2HB   ARG  47          HB3       ARG  47  -2.197  -7.526  -7.866
  399   1HG   ARG  47          HG2       ARG  47  -0.645  -5.379  -8.952
  400   2HG   ARG  47          HG3       ARG  47  -0.666  -5.285  -7.188
  401   1HD   ARG  47          HD2       ARG  47   0.006  -7.644  -7.077
  402   2HD   ARG  47          HD3       ARG  47   0.070  -7.692  -8.838
  403    HE   ARG  47           HE       ARG  47   1.906  -6.211  -7.073
  404   1HH1  ARG  47          HH12      ARG  47   1.077  -7.464 -10.238
  405   2HH1  ARG  47          HH11      ARG  47   2.639  -7.143 -10.919
  406   1HH2  ARG  47          HH22      ARG  47   3.973  -5.808  -7.962
  407   2HH2  ARG  47          HH21      ARG  47   4.279  -6.203  -9.631
  408    H    THR  48           HN       THR  48  -3.863  -8.321 -10.346
  409    HA   THR  48           HA       THR  48  -6.635  -7.951  -9.558
  410    HB   THR  48           HB       THR  48  -6.374 -10.500 -10.638
  411    HG1  THR  48           HG1      THR  48  -4.931 -10.351 -12.293
  412   1HG2  THR  48          HG21      THR  48  -8.171  -9.150 -11.310
  413   2HG2  THR  48          HG22      THR  48  -7.187  -9.296 -12.766
  414   3HG2  THR  48          HG23      THR  48  -7.112  -7.825 -11.796
  415    H    GLU  49           HN       GLU  49  -7.598 -10.306  -8.850
  416    HA   GLU  49           HA       GLU  49  -6.724 -10.554  -6.150
  417   1HB   GLU  49          HB2       GLU  49  -8.527 -12.552  -7.480
  418   2HB   GLU  49          HB3       GLU  49  -8.569 -11.946  -5.830
  419   1HG   GLU  49          HG2       GLU  49  -8.997  -9.714  -7.463
  420   2HG   GLU  49          HG3       GLU  49  -9.963 -11.011  -8.161
  421    H    GLU  50           HN       GLU  50  -5.805 -12.134  -9.052
  422    HA   GLU  50           HA       GLU  50  -4.803 -14.526  -7.795
  423   1HB   GLU  50          HB2       GLU  50  -4.441 -13.326 -10.535
  424   2HB   GLU  50          HB3       GLU  50  -3.604 -14.788 -10.034
  425   1HG   GLU  50          HG2       GLU  50  -5.390 -16.040 -10.418
  426   2HG   GLU  50          HG3       GLU  50  -6.436 -14.959  -9.498
  427    H    THR  51           HN       THR  51  -3.655 -11.336  -8.390
  428    HA   THR  51           HA       THR  51  -0.875 -12.147  -7.846
  429    HB   THR  51           HB       THR  51  -0.428  -9.759  -8.788
  430    HG1  THR  51           HG1      THR  51  -2.932  -9.551  -8.820
  431   1HG2  THR  51          HG21      THR  51  -0.335 -12.247  -9.895
  432   2HG2  THR  51          HG22      THR  51   0.200 -10.775 -10.706
  433   3HG2  THR  51          HG23      THR  51  -1.415 -11.415 -11.012
  434    H    VAL  52           HN       VAL  52  -3.078 -11.580  -5.886
  435    HA   VAL  52           HA       VAL  52  -1.724  -9.450  -4.404
  436    HB   VAL  52           HB       VAL  52  -3.830  -8.675  -5.723
  437   1HG1  VAL  52          HG11      VAL  52  -5.887  -9.283  -5.087
  438   2HG1  VAL  52          HG12      VAL  52  -5.060 -10.718  -4.479
  439   3HG1  VAL  52          HG13      VAL  52  -5.449  -9.393  -3.382
  440   1HG2  VAL  52          HG21      VAL  52  -2.528  -7.543  -3.784
  441   2HG2  VAL  52          HG22      VAL  52  -4.117  -6.931  -4.245
  442   3HG2  VAL  52          HG23      VAL  52  -3.948  -7.964  -2.825
  443    H    VAL  53           HN       VAL  53  -2.733  -9.317  -2.140
  444    HA   VAL  53           HA       VAL  53  -3.499 -10.198  -0.205
  445    HB   VAL  53           HB       VAL  53  -3.972 -12.755  -1.746
  446   1HG1  VAL  53          HG11      VAL  53  -3.824 -13.634   0.339
  447   2HG1  VAL  53          HG12      VAL  53  -4.182 -12.100   1.133
  448   3HG1  VAL  53          HG13      VAL  53  -5.487 -13.054   0.430
  449   1HG2  VAL  53          HG21      VAL  53  -5.730 -10.461  -0.948
  450   2HG2  VAL  53          HG22      VAL  53  -5.570 -11.245  -2.522
  451   3HG2  VAL  53          HG23      VAL  53  -6.405 -12.070  -1.203
  452    H    SER  54           HN       SER  54  -1.818 -12.975  -1.733
  453    HA   SER  54           HA       SER  54  -0.528 -13.563   0.743
  454   1HB   SER  54          HB2       SER  54   0.726 -14.933  -1.425
  455   2HB   SER  54          HB3       SER  54  -0.382 -15.574  -0.210
  456    HG   SER  54           HG       SER  54  -1.289 -15.892  -2.220
  457    H    GLN  55           HN       GLN  55   1.000 -12.982  -2.429
  458    HA   GLN  55           HA       GLN  55   3.514 -12.476  -1.111
  459   1HB   GLN  55          HB2       GLN  55   2.639 -13.272  -3.735
  460   2HB   GLN  55          HB3       GLN  55   3.767 -11.928  -3.862
  461   1HG   GLN  55          HG2       GLN  55   4.540 -14.104  -2.031
  462   2HG   GLN  55          HG3       GLN  55   4.515 -14.497  -3.751
  463   1HE2  GLN  55          HE21      GLN  55   6.590 -13.851  -1.511
  464   2HE2  GLN  55          HE22      GLN  55   7.728 -12.846  -2.346
  465    H    LEU  56           HN       LEU  56   1.096 -10.480  -1.192
  466    HA   LEU  56           HA       LEU  56   2.648  -8.208  -2.221
  467   1HB   LEU  56          HB2       LEU  56   0.062  -9.062  -2.910
  468   2HB   LEU  56          HB3       LEU  56  -0.143  -7.593  -1.972
  469    HG   LEU  56           HG       LEU  56   1.553  -6.520  -3.523
  470   1HD1  LEU  56          HD11      LEU  56   2.415  -7.596  -5.286
  471   2HD1  LEU  56          HD12      LEU  56   2.009  -9.054  -4.381
  472   3HD1  LEU  56          HD13      LEU  56   0.914  -8.456  -5.629
  473   1HD2  LEU  56          HD21      LEU  56  -0.341  -5.625  -4.235
  474   2HD2  LEU  56          HD22      LEU  56  -0.414  -6.896  -5.455
  475   3HD2  LEU  56          HD23      LEU  56  -1.235  -7.110  -3.909
  476    H    ARG  57           HN       ARG  57   3.454  -7.018  -0.676
  477    HA   ARG  57           HA       ARG  57   1.678  -6.223   1.533
  478   1HB   ARG  57          HB2       ARG  57   4.672  -6.673   1.655
  479   2HB   ARG  57          HB3       ARG  57   3.723  -5.932   2.936
  480   1HG   ARG  57          HG2       ARG  57   3.255  -8.712   1.894
  481   2HG   ARG  57          HG3       ARG  57   4.248  -8.334   3.303
  482   1HD   ARG  57          HD2       ARG  57   2.308  -7.317   4.390
  483   2HD   ARG  57          HD3       ARG  57   1.320  -7.679   2.974
  484    HE   ARG  57           HE       ARG  57   2.206  -9.531   5.022
  485   1HH1  ARG  57          HH12      ARG  57   0.824  -9.149   1.812
  486   2HH1  ARG  57          HH11      ARG  57   0.198 -10.768   1.757
  487   1HH2  ARG  57          HH22      ARG  57   1.371 -11.643   4.950
  488   2HH2  ARG  57          HH21      ARG  57   0.540 -12.199   3.531
  489    H    ILE  58           HN       ILE  58   1.766  -3.995   2.068
  490    HA   ILE  58           HA       ILE  58   3.207  -2.396   0.061
  491    HB   ILE  58           HB       ILE  58   0.484  -1.654   1.113
  492   1HG1  ILE  58          HG12      ILE  58   0.455  -3.821  -0.184
  493   2HG1  ILE  58          HG13      ILE  58  -0.520  -2.531  -0.877
  494   1HG2  ILE  58          HG21      ILE  58   2.470  -0.332  -0.458
  495   2HG2  ILE  58          HG22      ILE  58   1.020  -0.576  -1.433
  496   3HG2  ILE  58          HG23      ILE  58   0.914   0.272   0.110
  497   1HD1  ILE  58          HD11      ILE  58   0.499  -3.336  -2.748
  498   2HD1  ILE  58          HD12      ILE  58   1.662  -2.094  -2.279
  499   3HD1  ILE  58          HD13      ILE  58   1.972  -3.785  -1.886
  500    H    CYS  59           HN       CYS  59   4.458  -0.891   0.826
  501    HA   CYS  59           HA       CYS  59   4.835  -0.305   3.530
  502   1HB   CYS  59          HB2       CYS  59   5.594   1.585   1.336
  503   2HB   CYS  59          HB3       CYS  59   6.497   1.129   2.778
  504    H    SER  60           HN       SER  60   4.473   1.609   4.710
  505    HA   SER  60           HA       SER  60   2.047   3.032   4.072
  506   1HB   SER  60          HB2       SER  60   3.359   4.244   6.270
  507   2HB   SER  60          HB3       SER  60   1.972   3.156   6.310
  508    HG   SER  60           HG       SER  60   3.356   1.411   6.501
  509    H    ALA  61           HN       ALA  61   5.193   3.301   3.132
  510    HA   ALA  61           HA       ALA  61   5.525   6.145   3.131
  511   1HB   ALA  61          HB1       ALA  61   7.176   3.967   2.642
  512   2HB   ALA  61          HB2       ALA  61   7.025   4.751   1.070
  513   3HB   ALA  61          HB3       ALA  61   7.607   5.667   2.460
  514    H    HIS  62           HN       HIS  62   3.523   4.107   1.497
  515    HA   HIS  62           HA       HIS  62   3.525   5.531  -1.031
  516   1HB   HIS  62          HB2       HIS  62   1.961   3.156   0.001
  517   2HB   HIS  62          HB3       HIS  62   1.731   3.853  -1.604
  518    HD1  HIS  62           HD1      HIS  62   3.753   3.603  -3.297
  519    HD2  HIS  62           HD2      HIS  62   4.173   1.521   0.292
  520    HE1  HIS  62           HE1      HIS  62   5.681   1.979  -3.621
  521    H    PHE  63           HN       PHE  63   2.634   6.545   1.719
  522    HA   PHE  63           HA       PHE  63   0.131   7.774   0.778
  523   1HB   PHE  63          HB2       PHE  63   0.778   7.081   3.658
  524   2HB   PHE  63          HB3       PHE  63  -0.702   7.829   3.072
  525    HD1  PHE  63           HD1      PHE  63   1.191   4.722   3.356
  526    HD2  PHE  63           HD2      PHE  63  -2.393   6.522   1.935
  527    HE1  PHE  63           HE1      PHE  63   0.192   2.496   3.066
  528    HE2  PHE  63           HE2      PHE  63  -3.396   4.295   1.646
  529    HZ   PHE  63           HZ       PHE  63  -2.101   2.282   2.208
  530    H    GLU  64           HN       GLU  64  -0.233   9.910   2.082
  531    HA   GLU  64           HA       GLU  64   2.263  11.386   1.813
  532   1HB   GLU  64          HB2       GLU  64   0.424  13.289   2.461
  533   2HB   GLU  64          HB3       GLU  64   0.801  12.781   0.823
  534   1HG   GLU  64          HG2       GLU  64  -1.556  12.832   1.036
  535   2HG   GLU  64          HG3       GLU  64  -1.073  11.139   0.983
  536    H    GLY  65           HN       GLY  65   2.481   9.791   3.928
  537   1HA   GLY  65          HA1       GLY  65   3.329  11.244   6.041
  538   2HA   GLY  65          HA2       GLY  65   1.608  11.072   6.370
  539    H    GLY  66           HN       GLY  66   1.063   8.562   5.517
  540   1HA   GLY  66          HA1       GLY  66   2.087   6.332   5.512
  541   2HA   GLY  66          HA2       GLY  66   3.029   6.843   6.903
  542    H    GLU  67           HN       GLU  67  -0.440   7.054   6.108
  543    HA   GLU  67           HA       GLU  67  -0.997   5.257   8.344
  544   1HB   GLU  67          HB2       GLU  67  -1.250   7.329   9.454
  545   2HB   GLU  67          HB3       GLU  67  -2.042   8.071   8.071
  546   1HG   GLU  67          HG2       GLU  67  -4.063   7.328   8.676
  547   2HG   GLU  67          HG3       GLU  67  -3.449   5.744   9.148
  548    H    LYS  68           HN       LYS  68  -2.211   3.688   7.561
  549    HA   LYS  68           HA       LYS  68  -4.210   4.301   5.502
  550   1HB   LYS  68          HB2       LYS  68  -2.898   2.382   4.925
  551   2HB   LYS  68          HB3       LYS  68  -3.080   1.696   6.536
  552   1HG   LYS  68          HG2       LYS  68  -5.679   1.923   5.721
  553   2HG   LYS  68          HG3       LYS  68  -4.847   1.532   4.215
  554   1HD   LYS  68          HD2       LYS  68  -5.290  -0.573   5.008
  555   2HD   LYS  68          HD3       LYS  68  -3.694  -0.298   5.702
  556   1HE   LYS  68          HE2       LYS  68  -5.199  -1.245   7.361
  557   2HE   LYS  68          HE3       LYS  68  -4.721   0.390   7.811
  558   1HZ   LYS  68          HZ1       LYS  68  -7.346  -0.646   7.089
  559   2HZ   LYS  68          HZ2       LYS  68  -6.975   0.896   6.494
  560   3HZ   LYS  68          HZ3       LYS  68  -6.920   0.599   8.159
  561    H    LYS  69           HN       LYS  69  -6.120   4.908   6.300
  562    HA   LYS  69           HA       LYS  69  -7.080   3.573   8.744
  563   1HB   LYS  69          HB2       LYS  69  -7.151   6.342   7.840
  564   2HB   LYS  69          HB3       LYS  69  -8.749   5.747   8.261
  565   1HG   LYS  69          HG2       LYS  69  -7.689   4.939  10.431
  566   2HG   LYS  69          HG3       LYS  69  -6.326   5.975  10.002
  567   1HD   LYS  69          HD2       LYS  69  -7.522   7.509  11.166
  568   2HD   LYS  69          HD3       LYS  69  -8.333   7.706   9.612
  569   1HE   LYS  69          HE2       LYS  69  -9.313   5.686  11.585
  570   2HE   LYS  69          HE3       LYS  69  -9.746   7.384  11.767
  571   1HZ   LYS  69          HZ1       LYS  69 -10.245   6.834   9.137
  572   2HZ   LYS  69          HZ2       LYS  69 -11.399   6.941  10.372
  573   3HZ   LYS  69          HZ3       LYS  69 -10.756   5.429   9.942
  574    H    GLU  70           HN       GLU  70  -9.312   5.366   6.868
  575    HA   GLU  70           HA       GLU  70 -10.289   2.930   5.555
  576   1HB   GLU  70          HB2       GLU  70 -11.922   4.932   7.129
  577   2HB   GLU  70          HB3       GLU  70 -12.625   3.754   6.030
  578   1HG   GLU  70          HG2       GLU  70 -12.744   2.360   7.743
  579   2HG   GLU  70          HG3       GLU  70 -10.983   2.257   7.698
  580    H    GLY  71           HN       GLY  71  -9.432   3.640   3.604
  581   1HA   GLY  71          HA1       GLY  71 -10.709   4.659   1.639
  582   2HA   GLY  71          HA2       GLY  71 -10.531   6.155   2.544
  583    H    ASP  72           HN       ASP  72  -7.831   5.368   3.473
  584    HA   ASP  72           HA       ASP  72  -6.380   6.668   1.428
  585   1HB   ASP  72          HB2       ASP  72  -4.914   5.026   3.437
  586   2HB   ASP  72          HB3       ASP  72  -4.602   6.666   2.885
  587    H    ILE  73           HN       ILE  73  -5.915   5.790  -0.472
  588    HA   ILE  73           HA       ILE  73  -5.188   2.959  -0.669
  589    HB   ILE  73           HB       ILE  73  -5.792   5.034  -2.782
  590   1HG1  ILE  73          HG12      ILE  73  -7.383   2.641  -2.864
  591   2HG1  ILE  73          HG13      ILE  73  -7.433   3.341  -1.248
  592   1HG2  ILE  73          HG21      ILE  73  -4.698   3.817  -4.275
  593   2HG2  ILE  73          HG22      ILE  73  -4.253   2.641  -3.038
  594   3HG2  ILE  73          HG23      ILE  73  -5.768   2.461  -3.926
  595   1HD1  ILE  73          HD11      ILE  73  -9.234   4.128  -2.732
  596   2HD1  ILE  73          HD12      ILE  73  -8.213   5.426  -2.111
  597   3HD1  ILE  73          HD13      ILE  73  -8.011   4.862  -3.771
  598    HA   PRO  74           HA       PRO  74  -0.882   4.037  -0.779
  599   1HB   PRO  74          HB2       PRO  74   0.092   1.726  -1.782
  600   2HB   PRO  74          HB3       PRO  74  -0.516   1.855  -0.126
  601   1HG   PRO  74          HG2       PRO  74  -1.884   0.790  -2.568
  602   2HG   PRO  74          HG3       PRO  74  -1.840   0.117  -0.927
  603   1HD   PRO  74          HD2       PRO  74  -3.937   1.543  -1.877
  604   2HD   PRO  74          HD3       PRO  74  -3.471   1.554  -0.166
  605    H    VAL  75           HN       VAL  75  -0.164   5.447  -2.272
  606    HA   VAL  75           HA       VAL  75  -0.655   4.874  -5.104
  607    HB   VAL  75           HB       VAL  75  -0.009   7.269  -5.469
  608   1HG1  VAL  75          HG11      VAL  75  -2.380   6.230  -4.858
  609   2HG1  VAL  75          HG12      VAL  75  -2.221   7.328  -3.490
  610   3HG1  VAL  75          HG13      VAL  75  -2.156   7.955  -5.139
  611   1HG2  VAL  75          HG21      VAL  75   1.328   7.873  -3.657
  612   2HG2  VAL  75          HG22      VAL  75  -0.203   8.677  -3.313
  613   3HG2  VAL  75          HG23      VAL  75   0.213   7.184  -2.478
  614    HA   PRO  76           HA       PRO  76   3.492   3.971  -6.150
  615   1HB   PRO  76          HB2       PRO  76   4.027   5.718  -8.231
  616   2HB   PRO  76          HB3       PRO  76   3.184   4.174  -8.392
  617   1HG   PRO  76          HG2       PRO  76   2.089   6.934  -8.267
  618   2HG   PRO  76          HG3       PRO  76   1.502   5.531  -9.172
  619   1HD   PRO  76          HD2       PRO  76   0.324   6.435  -6.895
  620   2HD   PRO  76          HD3       PRO  76   0.308   4.723  -7.382
  621    H    ASP  77           HN       ASP  77   2.798   7.397  -5.924
  622    HA   ASP  77           HA       ASP  77   4.943   7.883  -4.121
  623   1HB   ASP  77          HB2       ASP  77   6.132   7.846  -6.355
  624   2HB   ASP  77          HB3       ASP  77   5.159   9.238  -6.816
  625    HA   PRO  78           HA       PRO  78   1.509  10.584  -3.280
  626   1HB   PRO  78          HB2       PRO  78   2.510  11.642  -0.968
  627   2HB   PRO  78          HB3       PRO  78   1.719  10.066  -1.070
  628   1HG   PRO  78          HG2       PRO  78   4.629  10.724  -0.989
  629   2HG   PRO  78          HG3       PRO  78   3.751   9.399  -0.206
  630   1HD   PRO  78          HD2       PRO  78   5.211   9.059  -2.464
  631   2HD   PRO  78          HD3       PRO  78   3.765   8.096  -2.098
  632    H    THR  79           HN       THR  79   4.716  11.535  -3.986
  633    HA   THR  79           HA       THR  79   3.882  14.358  -4.063
  634    HB   THR  79           HB       THR  79   6.526  14.574  -4.416
  635    HG1  THR  79           HG1      THR  79   6.473  12.085  -4.105
  636   1HG2  THR  79          HG21      THR  79   5.289  14.097  -1.704
  637   2HG2  THR  79          HG22      THR  79   5.118  15.592  -2.627
  638   3HG2  THR  79          HG23      THR  79   6.709  15.079  -2.066
  639    H    VAL  80           HN       VAL  80   4.327  11.690  -6.001
  640    HA   VAL  80           HA       VAL  80   4.982  13.336  -8.357
  641    HB   VAL  80           HB       VAL  80   5.421  10.417  -7.773
  642   1HG1  VAL  80          HG11      VAL  80   4.675  10.039  -9.879
  643   2HG1  VAL  80          HG12      VAL  80   4.979  11.693 -10.405
  644   3HG1  VAL  80          HG13      VAL  80   6.315  10.547 -10.281
  645   1HG2  VAL  80          HG21      VAL  80   7.629  10.894  -7.851
  646   2HG2  VAL  80          HG22      VAL  80   7.437  12.100  -9.124
  647   3HG2  VAL  80          HG23      VAL  80   7.061  12.514  -7.452
  648    H    ASP  81           HN       ASP  81   2.915  10.683  -7.238
  649    HA   ASP  81           HA       ASP  81   1.084  11.163  -9.477
  650   1HB   ASP  81          HB2       ASP  81   1.988   8.805  -8.594
  651   2HB   ASP  81          HB3       ASP  81   0.608   8.967  -7.512
  652    H    LYS  82           HN       LYS  82  -1.314  10.474  -8.534
  653    HA   LYS  82           HA       LYS  82  -1.815  12.568  -6.537
  654   1HB   LYS  82          HB2       LYS  82  -4.086  11.268  -7.927
  655   2HB   LYS  82          HB3       LYS  82  -3.840  12.958  -7.515
  656   1HG   LYS  82          HG2       LYS  82  -3.243  13.395  -9.600
  657   2HG   LYS  82          HG3       LYS  82  -1.924  12.228  -9.491
  658   1HD   LYS  82          HD2       LYS  82  -3.761  10.465  -9.900
  659   2HD   LYS  82          HD3       LYS  82  -4.727  11.827 -10.469
  660   1HE   LYS  82          HE2       LYS  82  -2.703  12.371 -11.954
  661   2HE   LYS  82          HE3       LYS  82  -2.168  10.731 -11.587
  662   1HZ   LYS  82          HZ1       LYS  82  -3.726  11.319 -13.642
  663   2HZ   LYS  82          HZ2       LYS  82  -4.926  11.030 -12.475
  664   3HZ   LYS  82          HZ3       LYS  82  -3.788   9.824 -12.842
  665    H    GLN  83           HN       GLN  83  -1.689  11.721  -4.567
  666    HA   GLN  83           HA       GLN  83  -2.222   9.187  -3.676
  667   1HB   GLN  83          HB2       GLN  83  -1.486  11.488  -2.480
  668   2HB   GLN  83          HB3       GLN  83  -3.147  11.383  -1.913
  669   1HG   GLN  83          HG2       GLN  83  -1.367   9.003  -1.679
  670   2HG   GLN  83          HG3       GLN  83  -1.210  10.335  -0.528
  671   1HE2  GLN  83          HE21      GLN  83  -2.742   7.462  -1.134
  672   2HE2  GLN  83          HE22      GLN  83  -4.089   7.643  -0.071
  673    H    ILE  84           HN       ILE  84  -3.989   7.955  -3.411
  674    HA   ILE  84           HA       ILE  84  -6.543   9.180  -4.133
  675    HB   ILE  84           HB       ILE  84  -6.149   6.213  -4.103
  676   1HG1  ILE  84          HG12      ILE  84  -5.755   7.516  -6.715
  677   2HG1  ILE  84          HG13      ILE  84  -4.435   7.760  -5.575
  678   1HG2  ILE  84          HG21      ILE  84  -7.791   7.926  -5.956
  679   2HG2  ILE  84          HG22      ILE  84  -7.927   6.191  -5.665
  680   3HG2  ILE  84          HG23      ILE  84  -8.388   7.335  -4.405
  681   1HD1  ILE  84          HD11      ILE  84  -4.558   5.202  -5.256
  682   2HD1  ILE  84          HD12      ILE  84  -5.452   5.223  -6.775
  683   3HD1  ILE  84          HD13      ILE  84  -3.805   5.854  -6.712
  684    H    LYS  85           HN       LYS  85  -8.208   9.186  -2.741
  685    HA   LYS  85           HA       LYS  85  -8.148   7.365  -0.447
  686   1HB   LYS  85          HB2       LYS  85  -8.738  10.324  -0.252
  687   2HB   LYS  85          HB3       LYS  85  -8.883   9.169   1.059
  688   1HG   LYS  85          HG2       LYS  85  -6.246   9.089  -0.110
  689   2HG   LYS  85          HG3       LYS  85  -6.671  10.718   0.415
  690   1HD   LYS  85          HD2       LYS  85  -7.226   8.432   2.243
  691   2HD   LYS  85          HD3       LYS  85  -5.563   9.000   2.071
  692   1HE   LYS  85          HE2       LYS  85  -6.231  11.235   2.717
  693   2HE   LYS  85          HE3       LYS  85  -7.920  10.734   2.793
  694   1HZ   LYS  85          HZ1       LYS  85  -6.319   9.041   4.405
  695   2HZ   LYS  85          HZ2       LYS  85  -7.628  10.022   4.857
  696   3HZ   LYS  85          HZ3       LYS  85  -6.060  10.659   4.834
  697    H    ILE  86           HN       ILE  86 -10.028   6.354  -0.201
  698    HA   ILE  86           HA       ILE  86 -12.323   7.080  -1.789
  699    HB   ILE  86           HB       ILE  86 -12.374   5.051   0.428
  700   1HG1  ILE  86          HG12      ILE  86 -11.749   3.998  -2.232
  701   2HG1  ILE  86          HG13      ILE  86 -10.455   4.963  -1.532
  702   1HG2  ILE  86          HG21      ILE  86 -13.664   4.350  -2.056
  703   2HG2  ILE  86          HG22      ILE  86 -14.341   4.476  -0.432
  704   3HG2  ILE  86          HG23      ILE  86 -14.233   5.909  -1.455
  705   1HD1  ILE  86          HD11      ILE  86  -9.859   3.288  -0.221
  706   2HD1  ILE  86          HD12      ILE  86 -11.492   3.166   0.438
  707   3HD1  ILE  86          HD13      ILE  86 -11.064   2.282  -1.026
  708    H    GLU  87           HN       GLU  87 -14.131   8.112  -1.121
  709    HA   GLU  87           HA       GLU  87 -14.019   9.543   1.357
  710   1HB   GLU  87          HB2       GLU  87 -14.961  10.387  -0.862
  711   2HB   GLU  87          HB3       GLU  87 -16.374   9.403  -0.514
  712   1HG   GLU  87          HG2       GLU  87 -16.351  10.692   1.751
  713   2HG   GLU  87          HG3       GLU  87 -15.396  11.863   0.841
  714    H    LEU  88           HN       LEU  88 -14.253   8.291   3.094
  715    HA   LEU  88           HA       LEU  88 -16.243   6.213   3.266
  716   1HB   LEU  88          HB2       LEU  88 -14.114   5.925   4.380
  717   2HB   LEU  88          HB3       LEU  88 -14.338   7.409   5.281
  718    HG   LEU  88           HG       LEU  88 -16.535   5.981   6.049
  719   1HD1  LEU  88          HD11      LEU  88 -15.419   3.744   6.714
  720   2HD1  LEU  88          HD12      LEU  88 -16.071   3.929   5.087
  721   3HD1  LEU  88          HD13      LEU  88 -14.337   4.076   5.362
  722   1HD2  LEU  88          HD21      LEU  88 -14.096   6.913   7.172
  723   2HD2  LEU  88          HD22      LEU  88 -15.626   6.580   7.982
  724   3HD2  LEU  88          HD23      LEU  88 -14.421   5.304   7.814
  725    HA   PRO  89           HA       PRO  89 -19.740   8.538   4.815
  726   1HB   PRO  89          HB2       PRO  89 -20.294   6.714   6.911
  727   2HB   PRO  89          HB3       PRO  89 -21.041   6.753   5.313
  728   1HG   PRO  89          HG2       PRO  89 -18.821   5.062   6.328
  729   2HG   PRO  89          HG3       PRO  89 -20.052   4.689   5.108
  730   1HD   PRO  89          HD2       PRO  89 -17.518   5.212   4.420
  731   2HD   PRO  89          HD3       PRO  89 -18.876   5.771   3.419
  732    HA   PRO  90           HA       PRO  90 -17.639  11.043   7.838
  733   1HB   PRO  90          HB2       PRO  90 -20.472  11.817   8.399
  734   2HB   PRO  90          HB3       PRO  90 -19.054  12.843   8.144
  735   1HG   PRO  90          HG2       PRO  90 -20.842  12.523   6.206
  736   2HG   PRO  90          HG3       PRO  90 -19.108  12.568   5.835
  737   1HD   PRO  90          HD2       PRO  90 -20.969  10.240   5.919
  738   2HD   PRO  90          HD3       PRO  90 -19.568  10.533   4.868
  739    H    LYS  91           HN       LYS  91 -17.016  10.614   9.834
  740    HA   LYS  91           HA       LYS  91 -18.015   8.436  11.287
  741   1HB   LYS  91          HB2       LYS  91 -16.575   9.719  13.167
  742   2HB   LYS  91          HB3       LYS  91 -15.853   8.751  11.891
  743   1HG   LYS  91          HG2       LYS  91 -14.958  10.538  10.856
  744   2HG   LYS  91          HG3       LYS  91 -16.338  11.577  11.223
  745   1HD   LYS  91          HD2       LYS  91 -15.382  11.296  13.693
  746   2HD   LYS  91          HD3       LYS  91 -13.881  11.040  12.799
  747   1HE   LYS  91          HE2       LYS  91 -13.702  13.207  12.303
  748   2HE   LYS  91          HE3       LYS  91 -15.381  13.297  11.772
  749   1HZ   LYS  91          HZ1       LYS  91 -14.595  13.320  14.632
  750   2HZ   LYS  91          HZ2       LYS  91 -16.104  13.711  13.964
  751   3HZ   LYS  91          HZ3       LYS  91 -14.775  14.735  13.713
  Start of MODEL   18
    1   1H    GLY   1          H1        GLY   1   8.080  -7.069  13.153
    2   2H    GLY   1          H2        GLY   1   8.442  -7.282  14.794
    3   3H    GLY   1          H3        GLY   1   7.496  -8.429  13.983
    4   1HA   GLY   1          HA2       GLY   1  10.110  -8.698  14.413
    5   2HA   GLY   1          HA1       GLY   1   9.245  -9.470  13.089
    6    H    SER   2           HN       SER   2  11.995  -7.999  13.660
    7    HA   SER   2           HA       SER   2  12.036  -6.023  11.570
    8   1HB   SER   2          HB2       SER   2  14.661  -6.884  12.394
    9   2HB   SER   2          HB3       SER   2  13.866  -5.331  12.665
   10    HG   SER   2           HG       SER   2  14.132  -7.518  14.346
   11    H    MET   3           HN       MET   3  11.167  -7.693  10.026
   12    HA   MET   3           HA       MET   3  13.383  -9.187   8.778
   13   1HB   MET   3          HB2       MET   3  11.590 -10.629   9.715
   14   2HB   MET   3          HB3       MET   3  10.424  -9.822   8.676
   15   1HG   MET   3          HG2       MET   3  12.656 -10.816   7.153
   16   2HG   MET   3          HG3       MET   3  11.909 -12.100   8.104
   17   1HE   MET   3          HE1       MET   3  10.917 -13.287   5.343
   18   2HE   MET   3          HE2       MET   3  10.865 -11.927   4.219
   19   3HE   MET   3          HE3       MET   3  12.269 -12.155   5.264
   20    HA   PRO   4           HA       PRO   4  12.772  -6.326   5.407
   21   1HB   PRO   4          HB2       PRO   4  14.237  -7.716   3.557
   22   2HB   PRO   4          HB3       PRO   4  14.948  -6.678   4.799
   23   1HG   PRO   4          HG2       PRO   4  14.624  -9.653   4.772
   24   2HG   PRO   4          HG3       PRO   4  16.010  -8.681   5.302
   25   1HD   PRO   4          HD2       PRO   4  14.272  -9.762   7.052
   26   2HD   PRO   4          HD3       PRO   4  15.045  -8.189   7.343
   27    H    THR   5           HN       THR   5  10.556  -6.679   5.092
   28    HA   THR   5           HA       THR   5   9.605  -9.007   3.700
   29    HB   THR   5           HB       THR   5   7.867  -6.623   3.891
   30    HG1  THR   5           HG1      THR   5   9.227  -7.712   6.082
   31   1HG2  THR   5          HG21      THR   5   6.637  -8.468   3.333
   32   2HG2  THR   5          HG22      THR   5   6.513  -8.562   5.091
   33   3HG2  THR   5          HG23      THR   5   7.677  -9.570   4.234
   34    H    THR   6           HN       THR   6   8.371  -8.840   1.668
   35    HA   THR   6           HA       THR   6   9.720  -7.046  -0.201
   36    HB   THR   6           HB       THR   6   7.907  -8.949  -1.423
   37    HG1  THR   6           HG1      THR   6   9.096 -10.826  -0.783
   38   1HG2  THR   6          HG21      THR   6  10.395  -9.654  -2.211
   39   2HG2  THR   6          HG22      THR   6  10.690  -8.005  -1.656
   40   3HG2  THR   6          HG23      THR   6   9.487  -8.314  -2.909
   41    H    CYS   7           HN       CYS   7   8.664  -5.498  -1.327
   42    HA   CYS   7           HA       CYS   7   6.001  -4.784  -0.576
   43   1HB   CYS   7          HB2       CYS   7   7.866  -3.175  -1.223
   44   2HB   CYS   7          HB3       CYS   7   7.594  -3.672  -2.888
   45    H    GLY   8           HN       GLY   8   4.204  -4.667  -1.955
   46   1HA   GLY   8          HA1       GLY   8   4.205  -6.699  -4.074
   47   2HA   GLY   8          HA2       GLY   8   2.780  -6.028  -3.290
   48    H    PHE   9           HN       PHE   9   4.782  -3.496  -3.832
   49    HA   PHE   9           HA       PHE   9   3.143  -2.499  -5.961
   50   1HB   PHE   9          HB2       PHE   9   4.797  -1.404  -3.968
   51   2HB   PHE   9          HB3       PHE   9   5.521  -0.934  -5.500
   52    HD1  PHE   9           HD1      PHE   9   4.464   0.651  -6.931
   53    HD2  PHE   9           HD2      PHE   9   2.495  -0.738  -3.423
   54    HE1  PHE   9           HE1      PHE   9   2.792   2.438  -7.164
   55    HE2  PHE   9           HE2      PHE   9   0.820   1.046  -3.652
   56    HZ   PHE   9           HZ       PHE   9   0.969   2.640  -5.527
   57    HA   PRO  10           HA       PRO  10   5.711  -3.863  -9.307
   58   1HB   PRO  10          HB2       PRO  10   4.785  -2.249 -11.263
   59   2HB   PRO  10          HB3       PRO  10   3.833  -3.593 -10.619
   60   1HG   PRO  10          HG2       PRO  10   3.666  -0.674  -9.976
   61   2HG   PRO  10          HG3       PRO  10   2.354  -1.835 -10.259
   62   1HD   PRO  10          HD2       PRO  10   3.144  -1.067  -7.773
   63   2HD   PRO  10          HD3       PRO  10   2.461  -2.668  -8.118
   64    H    ASN  11           HN       ASN  11   5.944  -0.873  -7.821
   65    HA   ASN  11           HA       ASN  11   8.591  -0.456  -8.857
   66   1HB   ASN  11          HB2       ASN  11   7.029   0.684 -10.524
   67   2HB   ASN  11          HB3       ASN  11   6.645   1.820  -9.232
   68   1HD2  ASN  11          HD21      ASN  11   7.631   3.658  -9.714
   69   2HD2  ASN  11          HD22      ASN  11   9.298   3.822 -10.172
   70    H    CYS  12           HN       CYS  12   8.598  -1.014  -6.466
   71    HA   CYS  12           HA       CYS  12   8.080   1.275  -4.768
   72   1HB   CYS  12          HB2       CYS  12   7.722  -1.116  -4.008
   73   2HB   CYS  12          HB3       CYS  12   9.475  -1.281  -3.982
   74    H    LYS  13           HN       LYS  13   9.439   2.821  -5.506
   75    HA   LYS  13           HA       LYS  13  12.305   2.355  -5.583
   76   1HB   LYS  13          HB2       LYS  13  12.467   4.600  -6.416
   77   2HB   LYS  13          HB3       LYS  13  11.120   3.823  -7.239
   78   1HG   LYS  13          HG2       LYS  13   9.614   4.900  -5.517
   79   2HG   LYS  13          HG3       LYS  13  11.016   5.852  -5.026
   80   1HD   LYS  13          HD2       LYS  13  10.474   5.823  -7.913
   81   2HD   LYS  13          HD3       LYS  13   9.239   6.604  -6.920
   82   1HE   LYS  13          HE2       LYS  13  11.573   7.579  -5.856
   83   2HE   LYS  13          HE3       LYS  13  11.954   7.468  -7.573
   84   1HZ   LYS  13          HZ1       LYS  13  10.774   9.569  -6.523
   85   2HZ   LYS  13          HZ2       LYS  13   9.384   8.659  -6.854
   86   3HZ   LYS  13          HZ3       LYS  13  10.459   9.058  -8.107
   87    H    PHE  14           HN       PHE  14  10.248   2.657  -3.134
   88    HA   PHE  14           HA       PHE  14  11.323   4.993  -1.838
   89   1HB   PHE  14          HB2       PHE  14   9.045   3.170  -1.380
   90   2HB   PHE  14          HB3       PHE  14   9.722   3.948   0.051
   91    HD1  PHE  14           HD1      PHE  14   9.324   6.211   0.505
   92    HD2  PHE  14           HD2      PHE  14   8.269   4.602  -3.292
   93    HE1  PHE  14           HE1      PHE  14   8.124   8.289  -0.039
   94    HE2  PHE  14           HE2      PHE  14   7.062   6.672  -3.839
   95    HZ   PHE  14           HZ       PHE  14   6.993   8.520  -2.212
   96    H    ARG  15           HN       ARG  15  11.136   1.537  -0.833
   97    HA   ARG  15           HA       ARG  15  12.865   1.975   1.381
   98   1HB   ARG  15          HB2       ARG  15  12.067  -0.550  -0.061
   99   2HB   ARG  15          HB3       ARG  15  13.108  -0.542   1.357
  100   1HG   ARG  15          HG2       ARG  15  11.383   0.242   2.748
  101   2HG   ARG  15          HG3       ARG  15  10.373   0.692   1.373
  102   1HD   ARG  15          HD2       ARG  15  11.147  -2.116   2.153
  103   2HD   ARG  15          HD3       ARG  15   9.575  -1.363   2.429
  104    HE   ARG  15           HE       ARG  15   9.163  -1.423   0.107
  105   1HH1  ARG  15          HH12      ARG  15  12.085  -3.100   1.047
  106   2HH1  ARG  15          HH11      ARG  15  12.295  -3.869  -0.497
  107   1HH2  ARG  15          HH22      ARG  15   9.444  -2.428  -1.939
  108   2HH2  ARG  15          HH21      ARG  15  10.797  -3.489  -2.184
  109    H    SER  16           HN       SER  16  13.381   1.323  -1.966
  110    HA   SER  16           HA       SER  16  16.075   0.425  -1.781
  111   1HB   SER  16          HB2       SER  16  15.620   1.567  -4.319
  112   2HB   SER  16          HB3       SER  16  15.512  -0.139  -3.878
  113    HG   SER  16           HG       SER  16  13.502   0.232  -4.536
  114    H    ARG  17           HN       ARG  17  14.541   3.530  -1.765
  115    HA   ARG  17           HA       ARG  17  16.849   5.010  -2.608
  116   1HB   ARG  17          HB2       ARG  17  15.466   6.787  -2.677
  117   2HB   ARG  17          HB3       ARG  17  14.202   5.582  -2.504
  118   1HG   ARG  17          HG2       ARG  17  14.730   6.064   0.084
  119   2HG   ARG  17          HG3       ARG  17  15.141   7.633  -0.614
  120   1HD   ARG  17          HD2       ARG  17  12.804   7.036  -1.893
  121   2HD   ARG  17          HD3       ARG  17  12.537   6.327  -0.302
  122    HE   ARG  17           HE       ARG  17  13.225   8.647   0.532
  123   1HH1  ARG  17          HH12      ARG  17  11.588   8.080  -2.505
  124   2HH1  ARG  17          HH11      ARG  17  10.723   9.585  -2.491
  125   1HH2  ARG  17          HH22      ARG  17  12.110  10.643   0.562
  126   2HH2  ARG  17          HH21      ARG  17  11.041  11.063  -0.746
  127    H    TYR  18           HN       TYR  18  16.061   3.404   0.184
  128    HA   TYR  18           HA       TYR  18  17.745   5.109   1.870
  129   1HB   TYR  18          HB2       TYR  18  15.966   2.756   2.544
  130   2HB   TYR  18          HB3       TYR  18  16.999   3.576   3.711
  131    HD1  TYR  18           HD1      TYR  18  13.926   3.761   1.761
  132    HD2  TYR  18           HD2      TYR  18  16.473   5.860   4.444
  133    HE1  TYR  18           HE1      TYR  18  12.122   5.366   2.209
  134    HE2  TYR  18           HE2      TYR  18  14.673   7.473   4.898
  135    HH   TYR  18           HH       TYR  18  12.320   7.701   4.760
  136    H    ARG  19           HN       ARG  19  19.802   4.592   2.195
  137    HA   ARG  19           HA       ARG  19  20.958   2.382   0.818
  138   1HB   ARG  19          HB2       ARG  19  22.001   4.530   2.623
  139   2HB   ARG  19          HB3       ARG  19  23.028   3.159   2.227
  140   1HG   ARG  19          HG2       ARG  19  21.681   4.601   0.008
  141   2HG   ARG  19          HG3       ARG  19  23.061   5.364   0.799
  142   1HD   ARG  19          HD2       ARG  19  24.525   3.929  -0.106
  143   2HD   ARG  19          HD3       ARG  19  23.465   2.542   0.143
  144    HE   ARG  19           HE       ARG  19  22.267   3.291  -1.897
  145   1HH1  ARG  19          HH12      ARG  19  25.593   4.239  -1.362
  146   2HH1  ARG  19          HH11      ARG  19  25.920   4.527  -3.046
  147   1HH2  ARG  19          HH22      ARG  19  22.692   3.630  -4.119
  148   2HH2  ARG  19          HH21      ARG  19  24.272   4.162  -4.618
  149    H    GLY  20           HN       GLY  20  21.267   0.370   1.474
  150   1HA   GLY  20          HA1       GLY  20  21.697  -1.402   2.914
  151   2HA   GLY  20          HA2       GLY  20  21.738  -0.268   4.255
  152    H    LEU  21           HN       LEU  21  19.002   0.180   2.389
  153    HA   LEU  21           HA       LEU  21  16.792  -0.148   2.731
  154   1HB   LEU  21          HB2       LEU  21  18.011  -2.774   3.158
  155   2HB   LEU  21          HB3       LEU  21  16.467  -2.583   3.967
  156    HG   LEU  21           HG       LEU  21  16.467  -1.679   1.173
  157   1HD1  LEU  21          HD11      LEU  21  16.175  -4.474   0.978
  158   2HD1  LEU  21          HD12      LEU  21  17.396  -3.451   0.222
  159   3HD1  LEU  21          HD13      LEU  21  17.708  -4.176   1.799
  160   1HD2  LEU  21          HD21      LEU  21  14.427  -1.801   2.426
  161   2HD2  LEU  21          HD22      LEU  21  14.388  -3.040   1.172
  162   3HD2  LEU  21          HD23      LEU  21  14.728  -3.488   2.843
  163    H    GLU  22           HN       GLU  22  17.833   1.450   4.554
  164    HA   GLU  22           HA       GLU  22  16.760   0.592   7.143
  165   1HB   GLU  22          HB2       GLU  22  19.037   1.987   6.589
  166   2HB   GLU  22          HB3       GLU  22  17.900   3.291   6.908
  167   1HG   GLU  22          HG2       GLU  22  18.354   3.011   9.054
  168   2HG   GLU  22          HG3       GLU  22  17.421   1.518   8.953
  169    H    ASP  23           HN       ASP  23  14.818   0.786   5.398
  170    HA   ASP  23           HA       ASP  23  13.702   3.326   4.918
  171   1HB   ASP  23          HB2       ASP  23  11.557   1.999   4.599
  172   2HB   ASP  23          HB3       ASP  23  12.919   1.501   3.596
  173    H    ASN  24           HN       ASN  24  13.548   1.143   7.619
  174    HA   ASN  24           HA       ASN  24  12.331   1.065   9.545
  175   1HB   ASN  24          HB2       ASN  24  13.798   3.236   9.700
  176   2HB   ASN  24          HB3       ASN  24  12.250   4.062   9.566
  177   1HD2  ASN  24          HD21      ASN  24  13.951   1.591  11.435
  178   2HD2  ASN  24          HD22      ASN  24  13.140   1.913  12.929
  179    H    ARG  25           HN       ARG  25  10.812   0.991   7.139
  180    HA   ARG  25           HA       ARG  25   8.440   2.610   7.713
  181   1HB   ARG  25          HB2       ARG  25   9.660   1.545   5.316
  182   2HB   ARG  25          HB3       ARG  25   7.980   1.035   5.431
  183   1HG   ARG  25          HG2       ARG  25   7.868   3.025   4.245
  184   2HG   ARG  25          HG3       ARG  25   7.469   3.508   5.895
  185   1HD   ARG  25          HD2       ARG  25   9.940   4.057   6.163
  186   2HD   ARG  25          HD3       ARG  25  10.062   3.877   4.416
  187    HE   ARG  25           HE       ARG  25   9.050   5.909   4.166
  188   1HH1  ARG  25          HH12      ARG  25   8.514   4.800   7.440
  189   2HH1  ARG  25          HH11      ARG  25   7.838   6.303   7.975
  190   1HH2  ARG  25          HH22      ARG  25   8.158   7.907   4.880
  191   2HH2  ARG  25          HH21      ARG  25   7.628   8.065   6.528
  192    H    HIS  26           HN       HIS  26   6.430   1.701   8.046
  193    HA   HIS  26           HA       HIS  26   6.543  -0.989   9.167
  194   1HB   HIS  26          HB2       HIS  26   4.639   1.316   9.446
  195   2HB   HIS  26          HB3       HIS  26   4.158  -0.302   9.942
  196    HD2  HIS  26           HD2      HIS  26   5.734   2.693  11.420
  197    HE1  HIS  26           HE1      HIS  26   7.284  -0.567  13.624
  198    HE2  HIS  26           HE2      HIS  26   7.306   1.950  13.350
  199    H    PHE  27           HN       PHE  27   5.892  -2.669   8.062
  200    HA   PHE  27           HA       PHE  27   4.769  -2.298   5.444
  201   1HB   PHE  27          HB2       PHE  27   6.063  -4.476   6.942
  202   2HB   PHE  27          HB3       PHE  27   4.810  -5.004   5.823
  203    HD1  PHE  27           HD1      PHE  27   4.988  -4.274   3.407
  204    HD2  PHE  27           HD2      PHE  27   8.189  -3.909   6.184
  205    HE1  PHE  27           HE1      PHE  27   6.580  -4.116   1.542
  206    HE2  PHE  27           HE2      PHE  27   9.788  -3.747   4.324
  207    HZ   PHE  27           HZ       PHE  27   8.983  -3.855   1.999
  208    H    TYR  28           HN       TYR  28   2.691  -2.129   5.075
  209    HA   TYR  28           HA       TYR  28   0.749  -3.180   6.971
  210   1HB   TYR  28          HB2       TYR  28   0.432  -1.552   4.438
  211   2HB   TYR  28          HB3       TYR  28  -0.903  -2.057   5.466
  212    HD1  TYR  28           HD1      TYR  28   0.731  -1.575   8.104
  213    HD2  TYR  28           HD2      TYR  28  -0.058   0.783   4.652
  214    HE1  TYR  28           HE1      TYR  28   0.998   0.467   9.446
  215    HE2  TYR  28           HE2      TYR  28   0.208   2.831   5.982
  216    HH   TYR  28           HH       TYR  28   1.370   3.533   8.112
  217    H    ARG  29           HN       ARG  29  -1.198  -4.283   5.994
  218    HA   ARG  29           HA       ARG  29  -0.351  -6.227   3.958
  219   1HB   ARG  29          HB2       ARG  29  -2.793  -6.339   5.744
  220   2HB   ARG  29          HB3       ARG  29  -2.168  -7.630   4.726
  221   1HG   ARG  29          HG2       ARG  29  -0.327  -6.554   6.764
  222   2HG   ARG  29          HG3       ARG  29  -1.715  -7.472   7.349
  223   1HD   ARG  29          HD2       ARG  29  -0.987  -9.168   5.492
  224   2HD   ARG  29          HD3       ARG  29   0.571  -8.358   5.653
  225    HE   ARG  29           HE       ARG  29   0.155  -8.889   8.170
  226   1HH1  ARG  29          HH12      ARG  29  -0.537 -10.951   5.414
  227   2HH1  ARG  29          HH11      ARG  29  -0.394 -12.419   6.325
  228   1HH2  ARG  29          HH22      ARG  29   0.344 -10.813   9.359
  229   2HH2  ARG  29          HH21      ARG  29   0.084 -12.349   8.581
  230    H    ILE  30           HN       ILE  30  -2.941  -6.941   3.093
  231    HA   ILE  30           HA       ILE  30  -3.751  -4.478   1.712
  232    HB   ILE  30           HB       ILE  30  -4.668  -7.207   0.869
  233   1HG1  ILE  30          HG12      ILE  30  -2.152  -7.209   1.104
  234   2HG1  ILE  30          HG13      ILE  30  -2.747  -7.536  -0.519
  235   1HG2  ILE  30          HG21      ILE  30  -4.449  -4.495  -0.346
  236   2HG2  ILE  30          HG22      ILE  30  -4.427  -5.915  -1.391
  237   3HG2  ILE  30          HG23      ILE  30  -5.809  -5.618  -0.335
  238   1HD1  ILE  30          HD11      ILE  30  -1.611  -5.824  -1.343
  239   2HD1  ILE  30          HD12      ILE  30  -2.286  -4.720  -0.144
  240   3HD1  ILE  30          HD13      ILE  30  -0.845  -5.661   0.238
  241    HA   PRO  31           HA       PRO  31  -7.066  -4.666   4.863
  242   1HB   PRO  31          HB2       PRO  31  -7.649  -2.279   3.118
  243   2HB   PRO  31          HB3       PRO  31  -7.817  -2.448   4.880
  244   1HG   PRO  31          HG2       PRO  31  -5.704  -1.192   3.974
  245   2HG   PRO  31          HG3       PRO  31  -5.476  -2.457   5.203
  246   1HD   PRO  31          HD2       PRO  31  -5.041  -2.620   2.238
  247   2HD   PRO  31          HD3       PRO  31  -4.022  -3.238   3.558
  248    H    LYS  32           HN       LYS  32  -8.573  -6.161   4.489
  249    HA   LYS  32           HA       LYS  32  -9.869  -6.257   1.859
  250   1HB   LYS  32          HB2       LYS  32 -10.610  -8.583   2.841
  251   2HB   LYS  32          HB3       LYS  32  -8.997  -8.363   2.178
  252   1HG   LYS  32          HG2       LYS  32  -8.042  -8.180   4.354
  253   2HG   LYS  32          HG3       LYS  32  -9.636  -8.114   5.108
  254   1HD   LYS  32          HD2       LYS  32  -9.197 -10.478   3.434
  255   2HD   LYS  32          HD3       LYS  32  -8.122 -10.369   4.829
  256   1HE   LYS  32          HE2       LYS  32 -10.505  -9.705   5.947
  257   2HE   LYS  32          HE3       LYS  32 -11.019 -10.845   4.705
  258   1HZ   LYS  32          HZ1       LYS  32  -9.993 -11.456   7.180
  259   2HZ   LYS  32          HZ2       LYS  32  -8.735 -11.805   6.100
  260   3HZ   LYS  32          HZ3       LYS  32 -10.254 -12.529   5.893
  261    H    ARG  33           HN       ARG  33 -10.536  -4.540   4.251
  262    HA   ARG  33           HA       ARG  33 -13.393  -5.000   4.164
  263   1HB   ARG  33          HB2       ARG  33 -11.936  -6.004   6.311
  264   2HB   ARG  33          HB3       ARG  33 -12.572  -4.477   6.907
  265   1HG   ARG  33          HG2       ARG  33 -14.778  -5.514   5.742
  266   2HG   ARG  33          HG3       ARG  33 -13.959  -6.985   6.274
  267   1HD   ARG  33          HD2       ARG  33 -14.229  -4.677   8.150
  268   2HD   ARG  33          HD3       ARG  33 -15.609  -5.738   7.872
  269    HE   ARG  33           HE       ARG  33 -14.230  -7.581   8.676
  270   1HH1  ARG  33          HH12      ARG  33 -13.092  -4.333   9.357
  271   2HH1  ARG  33          HH11      ARG  33 -12.167  -4.820  10.751
  272   1HH2  ARG  33          HH22      ARG  33 -13.022  -8.219  10.504
  273   2HH2  ARG  33          HH21      ARG  33 -12.138  -7.021  11.405
  274    HA   PRO  34           HA       PRO  34 -14.874  -3.971   3.511
  275   1HB   PRO  34          HB2       PRO  34 -15.515  -2.237   1.545
  276   2HB   PRO  34          HB3       PRO  34 -16.141  -2.078   3.190
  277   1HG   PRO  34          HG2       PRO  34 -13.867  -0.637   1.882
  278   2HG   PRO  34          HG3       PRO  34 -15.152   0.010   2.920
  279   1HD   PRO  34          HD2       PRO  34 -12.655  -0.539   3.835
  280   2HD   PRO  34          HD3       PRO  34 -14.104  -0.667   4.853
  281    H    LEU  35           HN       LEU  35 -15.116  -4.848   1.327
  282    HA   LEU  35           HA       LEU  35 -12.537  -5.549   0.268
  283   1HB   LEU  35          HB2       LEU  35 -14.904  -6.858   0.419
  284   2HB   LEU  35          HB3       LEU  35 -14.967  -6.295  -1.240
  285    HG   LEU  35           HG       LEU  35 -12.402  -7.389  -0.913
  286   1HD1  LEU  35          HD11      LEU  35 -14.536  -9.109   0.327
  287   2HD1  LEU  35          HD12      LEU  35 -12.967  -9.707  -0.216
  288   3HD1  LEU  35          HD13      LEU  35 -13.059  -8.522   1.090
  289   1HD2  LEU  35          HD21      LEU  35 -13.824  -7.379  -2.933
  290   2HD2  LEU  35          HD22      LEU  35 -13.156  -8.971  -2.570
  291   3HD2  LEU  35          HD23      LEU  35 -14.842  -8.615  -2.192
  292    H    ILE  36           HN       ILE  36 -15.113  -3.370  -0.598
  293    HA   ILE  36           HA       ILE  36 -14.362  -2.848  -3.268
  294    HB   ILE  36           HB       ILE  36 -15.616  -0.881  -1.349
  295   1HG1  ILE  36          HG12      ILE  36 -16.900  -2.967  -1.362
  296   2HG1  ILE  36          HG13      ILE  36 -17.788  -1.692  -2.188
  297   1HG2  ILE  36          HG21      ILE  36 -16.512  -0.749  -4.084
  298   2HG2  ILE  36          HG22      ILE  36 -15.806   0.510  -3.073
  299   3HG2  ILE  36          HG23      ILE  36 -14.759  -0.575  -3.987
  300   1HD1  ILE  36          HD11      ILE  36 -17.953  -2.945  -4.000
  301   2HD1  ILE  36          HD12      ILE  36 -16.199  -3.113  -4.086
  302   3HD1  ILE  36          HD13      ILE  36 -17.149  -4.255  -3.134
  303    H    LEU  37           HN       LEU  37 -13.216  -1.660  -0.186
  304    HA   LEU  37           HA       LEU  37 -11.562   0.405  -1.233
  305   1HB   LEU  37          HB2       LEU  37 -11.843   0.809   0.978
  306   2HB   LEU  37          HB3       LEU  37 -11.999  -0.889   1.379
  307    HG   LEU  37           HG       LEU  37  -9.283  -0.255   0.603
  308   1HD1  LEU  37          HD11      LEU  37  -9.982   1.970   1.490
  309   2HD1  LEU  37          HD12      LEU  37 -10.324   1.186   3.033
  310   3HD1  LEU  37          HD13      LEU  37  -8.681   1.196   2.396
  311   1HD2  LEU  37          HD21      LEU  37  -9.934  -2.268   1.781
  312   2HD2  LEU  37          HD22      LEU  37  -8.817  -1.316   2.765
  313   3HD2  LEU  37          HD23      LEU  37 -10.545  -1.304   3.130
  314    H    ARG  38           HN       ARG  38 -11.091  -2.996  -0.442
  315    HA   ARG  38           HA       ARG  38  -8.335  -3.156  -0.986
  316   1HB   ARG  38          HB2       ARG  38  -9.758  -4.913   0.129
  317   2HB   ARG  38          HB3       ARG  38 -10.397  -5.307  -1.452
  318   1HG   ARG  38          HG2       ARG  38  -8.472  -6.302  -2.151
  319   2HG   ARG  38          HG3       ARG  38  -7.449  -5.310  -1.111
  320   1HD   ARG  38          HD2       ARG  38  -7.721  -6.679   0.690
  321   2HD   ARG  38          HD3       ARG  38  -9.344  -7.169   0.204
  322    HE   ARG  38           HE       ARG  38  -8.121  -8.491  -1.599
  323   1HH1  ARG  38          HH12      ARG  38  -6.741  -7.860   1.578
  324   2HH1  ARG  38          HH11      ARG  38  -5.773  -9.303   1.560
  325   1HH2  ARG  38          HH22      ARG  38  -6.841 -10.368  -1.583
  326   2HH2  ARG  38          HH21      ARG  38  -5.826 -10.711  -0.213
  327    H    GLN  39           HN       GLN  39 -11.191  -3.584  -2.993
  328    HA   GLN  39           HA       GLN  39  -9.950  -4.143  -5.432
  329   1HB   GLN  39          HB2       GLN  39 -12.263  -4.436  -5.426
  330   2HB   GLN  39          HB3       GLN  39 -12.555  -2.898  -4.638
  331   1HG   GLN  39          HG2       GLN  39 -11.633  -1.904  -6.856
  332   2HG   GLN  39          HG3       GLN  39 -12.059  -3.483  -7.505
  333   1HE2  GLN  39          HE21      GLN  39 -14.298  -4.201  -7.115
  334   2HE2  GLN  39          HE22      GLN  39 -15.553  -3.002  -7.145
  335    H    ARG  40           HN       ARG  40 -10.729  -1.054  -3.895
  336    HA   ARG  40           HA       ARG  40  -9.743   0.584  -5.978
  337   1HB   ARG  40          HB2       ARG  40 -10.648   0.952  -3.211
  338   2HB   ARG  40          HB3       ARG  40  -9.423   2.102  -3.723
  339   1HG   ARG  40          HG2       ARG  40 -11.915   1.553  -5.293
  340   2HG   ARG  40          HG3       ARG  40 -11.802   2.787  -4.039
  341   1HD   ARG  40          HD2       ARG  40  -9.680   3.514  -5.414
  342   2HD   ARG  40          HD3       ARG  40 -10.510   2.672  -6.721
  343    HE   ARG  40           HE       ARG  40 -11.219   5.200  -5.547
  344   1HH1  ARG  40          HH12      ARG  40 -12.394   2.426  -7.366
  345   2HH1  ARG  40          HH11      ARG  40 -13.803   3.261  -7.947
  346   1HH2  ARG  40          HH22      ARG  40 -13.079   6.278  -6.320
  347   2HH2  ARG  40          HH21      ARG  40 -14.188   5.436  -7.365
  348    H    TRP  41           HN       TRP  41  -8.268  -0.890  -3.165
  349    HA   TRP  41           HA       TRP  41  -5.775   0.337  -3.153
  350   1HB   TRP  41          HB2       TRP  41  -6.951  -2.153  -2.149
  351   2HB   TRP  41          HB3       TRP  41  -5.234  -2.297  -2.495
  352    HD1  TRP  41           HD1      TRP  41  -7.422   0.363  -0.703
  353    HE1  TRP  41           HE1      TRP  41  -6.179   1.076   1.426
  354    HE3  TRP  41           HE3      TRP  41  -3.290  -2.607  -1.146
  355    HZ2  TRP  41           HZ2      TRP  41  -3.765   0.456   2.752
  356    HZ3  TRP  41           HZ3      TRP  41  -1.564  -2.486   0.596
  357    HH2  TRP  41           HH2      TRP  41  -1.797  -0.986   2.502
  358    H    LEU  42           HN       LEU  42  -6.966  -2.373  -5.067
  359    HA   LEU  42           HA       LEU  42  -4.555  -3.134  -6.274
  360   1HB   LEU  42          HB2       LEU  42  -7.423  -3.431  -7.147
  361   2HB   LEU  42          HB3       LEU  42  -6.084  -4.134  -8.034
  362    HG   LEU  42           HG       LEU  42  -6.917  -4.797  -5.207
  363   1HD1  LEU  42          HD11      LEU  42  -7.143  -7.094  -6.294
  364   2HD1  LEU  42          HD12      LEU  42  -8.376  -5.894  -6.688
  365   3HD1  LEU  42          HD13      LEU  42  -7.083  -6.242  -7.838
  366   1HD2  LEU  42          HD21      LEU  42  -4.555  -5.711  -6.837
  367   2HD2  LEU  42          HD22      LEU  42  -4.529  -4.859  -5.292
  368   3HD2  LEU  42          HD23      LEU  42  -5.119  -6.521  -5.376
  369    H    THR  43           HN       THR  43  -6.518  -0.393  -6.879
  370    HA   THR  43           HA       THR  43  -6.219   0.028  -9.605
  371    HB   THR  43           HB       THR  43  -6.244   2.174  -7.477
  372    HG1  THR  43           HG1      THR  43  -8.071   1.130  -7.056
  373   1HG2  THR  43          HG21      THR  43  -6.457   3.674  -9.114
  374   2HG2  THR  43          HG22      THR  43  -7.714   2.720  -9.908
  375   3HG2  THR  43          HG23      THR  43  -6.014   2.393 -10.246
  376    H    ALA  44           HN       ALA  44  -4.027   1.004  -6.966
  377    HA   ALA  44           HA       ALA  44  -2.309   2.363  -8.873
  378   1HB   ALA  44          HB1       ALA  44  -2.943   3.071  -6.423
  379   2HB   ALA  44          HB2       ALA  44  -1.547   2.071  -6.022
  380   3HB   ALA  44          HB3       ALA  44  -1.362   3.445  -7.111
  381    H    ILE  45           HN       ILE  45  -2.317  -0.603  -7.014
  382    HA   ILE  45           HA       ILE  45   0.474  -1.134  -7.497
  383    HB   ILE  45           HB       ILE  45  -0.834  -3.570  -6.878
  384   1HG1  ILE  45          HG12      ILE  45  -1.665  -1.358  -4.993
  385   2HG1  ILE  45          HG13      ILE  45  -2.743  -2.102  -6.168
  386   1HG2  ILE  45          HG21      ILE  45   1.137  -1.740  -5.706
  387   2HG2  ILE  45          HG22      ILE  45   0.336  -2.821  -4.567
  388   3HG2  ILE  45          HG23      ILE  45   1.202  -3.486  -5.951
  389   1HD1  ILE  45          HD11      ILE  45  -3.264  -3.598  -4.632
  390   2HD1  ILE  45          HD12      ILE  45  -1.619  -4.222  -4.748
  391   3HD1  ILE  45          HD13      ILE  45  -2.013  -2.993  -3.547
  392    H    GLY  46           HN       GLY  46  -2.495  -1.649  -9.141
  393   1HA   GLY  46          HA1       GLY  46  -2.904  -2.440 -11.260
  394   2HA   GLY  46          HA2       GLY  46  -1.168  -2.604 -11.475
  395    H    ARG  47           HN       ARG  47  -2.338  -4.173  -8.715
  396    HA   ARG  47           HA       ARG  47  -1.815  -6.756  -9.941
  397   1HB   ARG  47          HB2       ARG  47  -2.488  -6.116  -7.063
  398   2HB   ARG  47          HB3       ARG  47  -1.853  -7.637  -7.677
  399   1HG   ARG  47          HG2       ARG  47  -0.226  -5.267  -8.275
  400   2HG   ARG  47          HG3       ARG  47  -0.356  -5.690  -6.566
  401   1HD   ARG  47          HD2       ARG  47   0.474  -7.897  -6.985
  402   2HD   ARG  47          HD3       ARG  47   0.416  -7.640  -8.729
  403    HE   ARG  47           HE       ARG  47   2.255  -6.211  -6.909
  404   1HH1  ARG  47          HH12      ARG  47   1.531  -7.693 -10.002
  405   2HH1  ARG  47          HH11      ARG  47   3.096  -7.368 -10.671
  406   1HH2  ARG  47          HH22      ARG  47   4.313  -5.774  -7.788
  407   2HH2  ARG  47          HH21      ARG  47   4.683  -6.257  -9.417
  408    H    THR  48           HN       THR  48  -3.316  -8.592  -9.267
  409    HA   THR  48           HA       THR  48  -6.096  -7.649  -9.496
  410    HB   THR  48           HB       THR  48  -5.973 -10.249 -10.575
  411    HG1  THR  48           HG1      THR  48  -3.928 -10.279 -11.205
  412   1HG2  THR  48          HG21      THR  48  -7.538  -8.944 -11.584
  413   2HG2  THR  48          HG22      THR  48  -6.240  -8.722 -12.756
  414   3HG2  THR  48          HG23      THR  48  -6.533  -7.496 -11.523
  415    H    GLU  49           HN       GLU  49  -7.444  -9.985  -9.193
  416    HA   GLU  49           HA       GLU  49  -7.370 -10.147  -6.342
  417   1HB   GLU  49          HB2       GLU  49  -9.258 -11.889  -6.834
  418   2HB   GLU  49          HB3       GLU  49  -9.537 -10.176  -7.112
  419   1HG   GLU  49          HG2       GLU  49  -8.433 -11.535  -9.430
  420   2HG   GLU  49          HG3       GLU  49  -9.979 -12.201  -8.904
  421    H    GLU  50           HN       GLU  50  -5.578 -11.771  -8.579
  422    HA   GLU  50           HA       GLU  50  -5.554 -14.273  -7.052
  423   1HB   GLU  50          HB2       GLU  50  -3.702 -14.433  -9.167
  424   2HB   GLU  50          HB3       GLU  50  -5.249 -15.250  -9.023
  425   1HG   GLU  50          HG2       GLU  50  -5.491 -14.204 -11.015
  426   2HG   GLU  50          HG3       GLU  50  -6.197 -13.007  -9.942
  427    H    THR  51           HN       THR  51  -3.538 -11.637  -8.138
  428    HA   THR  51           HA       THR  51  -1.119 -12.669  -6.998
  429    HB   THR  51           HB       THR  51  -0.447 -10.152  -7.559
  430    HG1  THR  51           HG1      THR  51  -2.680 -10.618  -9.287
  431   1HG2  THR  51          HG21      THR  51   0.052 -12.466  -8.724
  432   2HG2  THR  51          HG22      THR  51   0.403 -10.945  -9.544
  433   3HG2  THR  51          HG23      THR  51  -1.066 -11.837  -9.937
  434    H    VAL  52           HN       VAL  52  -3.519 -10.243  -6.095
  435    HA   VAL  52           HA       VAL  52  -1.947  -9.087  -4.031
  436    HB   VAL  52           HB       VAL  52  -3.896  -8.015  -5.276
  437   1HG1  VAL  52          HG11      VAL  52  -5.370 -10.075  -4.362
  438   2HG1  VAL  52          HG12      VAL  52  -5.721  -8.866  -3.127
  439   3HG1  VAL  52          HG13      VAL  52  -6.044  -8.511  -4.826
  440   1HG2  VAL  52          HG21      VAL  52  -3.388  -6.464  -3.778
  441   2HG2  VAL  52          HG22      VAL  52  -4.625  -7.152  -2.727
  442   3HG2  VAL  52          HG23      VAL  52  -2.950  -7.681  -2.580
  443    H    VAL  53           HN       VAL  53  -3.856 -11.893  -4.162
  444    HA   VAL  53           HA       VAL  53  -4.126 -12.012  -1.265
  445    HB   VAL  53           HB       VAL  53  -4.972 -14.194  -3.168
  446   1HG1  VAL  53          HG11      VAL  53  -5.125 -13.763  -0.336
  447   2HG1  VAL  53          HG12      VAL  53  -6.748 -13.886  -1.015
  448   3HG1  VAL  53          HG13      VAL  53  -5.583 -15.184  -1.276
  449   1HG2  VAL  53          HG21      VAL  53  -5.975 -11.552  -3.143
  450   2HG2  VAL  53          HG22      VAL  53  -6.610 -12.952  -4.006
  451   3HG2  VAL  53          HG23      VAL  53  -7.188 -12.581  -2.380
  452    H    SER  54           HN       SER  54  -1.782 -11.999  -1.080
  453    HA   SER  54           HA       SER  54  -0.729 -14.676  -0.872
  454   1HB   SER  54          HB2       SER  54   1.287 -14.165  -2.244
  455   2HB   SER  54          HB3       SER  54  -0.193 -14.174  -3.206
  456    HG   SER  54           HG       SER  54   0.078 -12.125  -3.628
  457    H    GLN  55           HN       GLN  55   2.031 -13.550  -0.834
  458    HA   GLN  55           HA       GLN  55   2.021 -12.481   1.850
  459   1HB   GLN  55          HB2       GLN  55   3.790 -14.002   0.345
  460   2HB   GLN  55          HB3       GLN  55   4.579 -12.434   0.457
  461   1HG   GLN  55          HG2       GLN  55   3.494 -13.317   2.997
  462   2HG   GLN  55          HG3       GLN  55   4.667 -14.449   2.328
  463   1HE2  GLN  55          HE21      GLN  55   6.169 -12.393   0.929
  464   2HE2  GLN  55          HE22      GLN  55   7.048 -11.530   2.146
  465    H    LEU  56           HN       LEU  56   1.170 -11.035  -0.801
  466    HA   LEU  56           HA       LEU  56   2.822  -8.879  -1.311
  467   1HB   LEU  56          HB2       LEU  56   0.320  -9.701  -2.130
  468   2HB   LEU  56          HB3       LEU  56  -0.016  -8.184  -1.320
  469    HG   LEU  56           HG       LEU  56   2.051  -7.404  -2.852
  470   1HD1  LEU  56          HD11      LEU  56   1.058  -8.624  -5.118
  471   2HD1  LEU  56          HD12      LEU  56   2.600  -8.970  -4.334
  472   3HD1  LEU  56          HD13      LEU  56   1.180  -9.944  -3.953
  473   1HD2  LEU  56          HD21      LEU  56  -0.220  -7.274  -4.533
  474   2HD2  LEU  56          HD22      LEU  56  -0.780  -7.141  -2.865
  475   3HD2  LEU  56          HD23      LEU  56   0.438  -6.023  -3.478
  476    H    ARG  57           HN       ARG  57   3.361  -7.079  -0.267
  477    HA   ARG  57           HA       ARG  57   1.766  -6.213   2.044
  478   1HB   ARG  57          HB2       ARG  57   4.786  -6.423   1.934
  479   2HB   ARG  57          HB3       ARG  57   3.871  -5.690   3.244
  480   1HG   ARG  57          HG2       ARG  57   3.377  -8.529   2.457
  481   2HG   ARG  57          HG3       ARG  57   4.737  -8.103   3.499
  482   1HD   ARG  57          HD2       ARG  57   2.952  -6.809   4.865
  483   2HD   ARG  57          HD3       ARG  57   1.802  -7.839   4.012
  484    HE   ARG  57           HE       ARG  57   3.082  -9.757   4.942
  485   1HH1  ARG  57          HH12      ARG  57   3.155  -6.642   6.547
  486   2HH1  ARG  57          HH11      ARG  57   3.599  -7.305   8.091
  487   1HH2  ARG  57          HH22      ARG  57   3.619 -10.639   6.947
  488   2HH2  ARG  57          HH21      ARG  57   3.856  -9.594   8.325
  489    H    ILE  58           HN       ILE  58   2.104  -3.927   2.564
  490    HA   ILE  58           HA       ILE  58   3.164  -2.392   0.294
  491    HB   ILE  58           HB       ILE  58   0.480  -2.014   1.621
  492   1HG1  ILE  58          HG12      ILE  58   0.463  -3.623  -0.193
  493   2HG1  ILE  58          HG13      ILE  58  -0.340  -2.149  -0.721
  494   1HG2  ILE  58          HG21      ILE  58   2.151  -0.095   0.074
  495   2HG2  ILE  58          HG22      ILE  58   0.401  -0.067  -0.137
  496   3HG2  ILE  58          HG23      ILE  58   1.102   0.188   1.462
  497   1HD1  ILE  58          HD11      ILE  58   0.930  -2.427  -2.548
  498   2HD1  ILE  58          HD12      ILE  58   2.180  -1.670  -1.564
  499   3HD1  ILE  58          HD13      ILE  58   2.110  -3.428  -1.702
  500    H    CYS  59           HN       CYS  59   4.517  -0.870   0.877
  501    HA   CYS  59           HA       CYS  59   5.229  -0.362   3.550
  502   1HB   CYS  59          HB2       CYS  59   5.879   1.433   1.224
  503   2HB   CYS  59          HB3       CYS  59   6.853   1.101   2.654
  504    H    SER  60           HN       SER  60   4.932   1.419   4.848
  505    HA   SER  60           HA       SER  60   2.481   2.830   4.612
  506   1HB   SER  60          HB2       SER  60   4.062   4.190   6.475
  507   2HB   SER  60          HB3       SER  60   2.920   2.886   6.817
  508    HG   SER  60           HG       SER  60   4.543   1.427   6.797
  509    H    ALA  61           HN       ALA  61   5.536   3.292   3.267
  510    HA   ALA  61           HA       ALA  61   5.535   6.152   3.113
  511   1HB   ALA  61          HB1       ALA  61   7.146   4.908   1.087
  512   2HB   ALA  61          HB2       ALA  61   7.644   5.840   2.499
  513   3HB   ALA  61          HB3       ALA  61   7.377   4.103   2.639
  514    H    HIS  62           HN       HIS  62   3.670   3.855   1.650
  515    HA   HIS  62           HA       HIS  62   3.443   5.242  -0.904
  516   1HB   HIS  62          HB2       HIS  62   2.110   2.742   0.167
  517   2HB   HIS  62          HB3       HIS  62   1.795   3.422  -1.430
  518    HD1  HIS  62           HD1      HIS  62   4.077   3.578  -3.015
  519    HD2  HIS  62           HD2      HIS  62   4.132   0.984   0.247
  520    HE1  HIS  62           HE1      HIS  62   6.029   1.983  -3.386
  521    H    PHE  63           HN       PHE  63   2.548   6.069   1.943
  522    HA   PHE  63           HA       PHE  63   0.002   7.234   1.052
  523   1HB   PHE  63          HB2       PHE  63   0.537   6.338   3.900
  524   2HB   PHE  63          HB3       PHE  63  -0.964   6.993   3.262
  525    HD1  PHE  63           HD1      PHE  63   1.282   4.062   3.201
  526    HD2  PHE  63           HD2      PHE  63  -2.578   5.599   2.256
  527    HE1  PHE  63           HE1      PHE  63   0.493   1.781   2.737
  528    HE2  PHE  63           HE2      PHE  63  -3.364   3.319   1.782
  529    HZ   PHE  63           HZ       PHE  63  -1.833   1.409   2.023
  530    H    GLU  64           HN       GLU  64   0.017   9.439   1.255
  531    HA   GLU  64           HA       GLU  64   2.315  10.751   2.306
  532   1HB   GLU  64          HB2       GLU  64   0.737  12.825   2.153
  533   2HB   GLU  64          HB3       GLU  64   1.302  12.045   0.686
  534   1HG   GLU  64          HG2       GLU  64  -0.752  11.350   0.102
  535   2HG   GLU  64          HG3       GLU  64  -1.239  11.037   1.767
  536    H    GLY  65           HN       GLY  65   2.762  10.507   4.376
  537   1HA   GLY  65          HA1       GLY  65   2.104  11.498   6.601
  538   2HA   GLY  65          HA2       GLY  65   0.556  10.706   6.327
  539    H    GLY  66           HN       GLY  66   1.926   8.412   5.026
  540   1HA   GLY  66          HA1       GLY  66   2.973   6.435   5.559
  541   2HA   GLY  66          HA2       GLY  66   3.683   7.237   6.950
  542    H    GLU  67           HN       GLU  67   0.219   7.096   6.437
  543    HA   GLU  67           HA       GLU  67   0.017   5.168   8.640
  544   1HB   GLU  67          HB2       GLU  67  -0.221   7.770   9.158
  545   2HB   GLU  67          HB3       GLU  67  -1.866   7.468   8.615
  546   1HG   GLU  67          HG2       GLU  67  -1.724   5.474  10.311
  547   2HG   GLU  67          HG3       GLU  67  -0.447   6.459  11.024
  548    H    LYS  68           HN       LYS  68  -1.523   3.683   8.411
  549    HA   LYS  68           HA       LYS  68  -3.555   4.004   6.304
  550   1HB   LYS  68          HB2       LYS  68  -2.354   1.899   6.203
  551   2HB   LYS  68          HB3       LYS  68  -2.667   1.589   7.902
  552   1HG   LYS  68          HG2       LYS  68  -4.446   0.429   7.283
  553   2HG   LYS  68          HG3       LYS  68  -5.178   1.953   6.771
  554   1HD   LYS  68          HD2       LYS  68  -3.328   0.414   4.983
  555   2HD   LYS  68          HD3       LYS  68  -5.057   0.070   5.049
  556   1HE   LYS  68          HE2       LYS  68  -4.016   2.845   4.600
  557   2HE   LYS  68          HE3       LYS  68  -4.225   1.714   3.264
  558   1HZ   LYS  68          HZ1       LYS  68  -6.591   1.561   4.572
  559   2HZ   LYS  68          HZ2       LYS  68  -6.291   2.516   3.205
  560   3HZ   LYS  68          HZ3       LYS  68  -6.189   3.200   4.754
  561    H    LYS  69           HN       LYS  69  -5.464   4.786   6.936
  562    HA   LYS  69           HA       LYS  69  -6.357   4.210   9.684
  563   1HB   LYS  69          HB2       LYS  69  -7.560   6.616   9.091
  564   2HB   LYS  69          HB3       LYS  69  -6.153   6.400  10.121
  565   1HG   LYS  69          HG2       LYS  69  -4.675   7.045   8.435
  566   2HG   LYS  69          HG3       LYS  69  -5.874   6.797   7.164
  567   1HD   LYS  69          HD2       LYS  69  -6.595   8.894   7.350
  568   2HD   LYS  69          HD3       LYS  69  -6.829   8.710   9.089
  569   1HE   LYS  69          HE2       LYS  69  -4.055   9.039   8.086
  570   2HE   LYS  69          HE3       LYS  69  -5.108  10.454   8.069
  571   1HZ   LYS  69          HZ1       LYS  69  -4.697  10.710  10.214
  572   2HZ   LYS  69          HZ2       LYS  69  -3.752   9.297  10.250
  573   3HZ   LYS  69          HZ3       LYS  69  -5.421   9.211  10.541
  574    H    GLU  70           HN       GLU  70  -7.707   5.747   6.752
  575    HA   GLU  70           HA       GLU  70 -10.045   3.987   7.094
  576   1HB   GLU  70          HB2       GLU  70  -9.899   6.840   7.061
  577   2HB   GLU  70          HB3       GLU  70 -10.782   6.316   5.633
  578   1HG   GLU  70          HG2       GLU  70 -12.542   6.349   7.019
  579   2HG   GLU  70          HG3       GLU  70 -11.941   4.764   7.500
  580    H    GLY  71           HN       GLY  71 -10.467   5.918   4.426
  581   1HA   GLY  71          HA1       GLY  71 -10.128   3.613   2.699
  582   2HA   GLY  71          HA2       GLY  71 -10.891   5.135   2.271
  583    H    ASP  72           HN       ASP  72  -7.665   4.687   3.606
  584    HA   ASP  72           HA       ASP  72  -6.516   6.274   1.499
  585   1HB   ASP  72          HB2       ASP  72  -4.571   4.863   3.161
  586   2HB   ASP  72          HB3       ASP  72  -4.826   6.594   2.966
  587    H    ILE  73           HN       ILE  73  -5.766   5.560  -0.367
  588    HA   ILE  73           HA       ILE  73  -5.149   2.700  -0.701
  589    HB   ILE  73           HB       ILE  73  -5.824   4.863  -2.708
  590   1HG1  ILE  73          HG12      ILE  73  -7.368   2.384  -2.706
  591   2HG1  ILE  73          HG13      ILE  73  -7.465   3.268  -1.185
  592   1HG2  ILE  73          HG21      ILE  73  -5.038   3.672  -4.411
  593   2HG2  ILE  73          HG22      ILE  73  -4.169   2.702  -3.221
  594   3HG2  ILE  73          HG23      ILE  73  -5.753   2.182  -3.795
  595   1HD1  ILE  73          HD11      ILE  73  -9.258   3.955  -2.590
  596   2HD1  ILE  73          HD12      ILE  73  -8.104   5.283  -2.470
  597   3HD1  ILE  73          HD13      ILE  73  -8.152   4.286  -3.924
  598    HA   PRO  74           HA       PRO  74  -0.855   3.777  -0.844
  599   1HB   PRO  74          HB2       PRO  74   0.151   1.670  -2.216
  600   2HB   PRO  74          HB3       PRO  74  -0.416   1.539  -0.546
  601   1HG   PRO  74          HG2       PRO  74  -1.812   0.789  -3.084
  602   2HG   PRO  74          HG3       PRO  74  -1.736  -0.089  -1.544
  603   1HD   PRO  74          HD2       PRO  74  -3.866   1.417  -2.294
  604   2HD   PRO  74          HD3       PRO  74  -3.399   1.183  -0.601
  605    H    VAL  75           HN       VAL  75  -0.019   5.352  -2.086
  606    HA   VAL  75           HA       VAL  75  -0.526   5.284  -4.970
  607    HB   VAL  75           HB       VAL  75   0.599   7.630  -4.828
  608   1HG1  VAL  75          HG11      VAL  75  -2.074   7.495  -3.499
  609   2HG1  VAL  75          HG12      VAL  75  -1.497   8.592  -4.754
  610   3HG1  VAL  75          HG13      VAL  75  -1.876   6.915  -5.153
  611   1HG2  VAL  75          HG21      VAL  75   1.115   8.471  -2.834
  612   2HG2  VAL  75          HG22      VAL  75  -0.482   8.081  -2.197
  613   3HG2  VAL  75          HG23      VAL  75   0.808   6.878  -2.142
  614    HA   PRO  76           HA       PRO  76   3.571   4.131  -5.990
  615   1HB   PRO  76          HB2       PRO  76   3.953   5.372  -8.352
  616   2HB   PRO  76          HB3       PRO  76   2.805   4.041  -8.163
  617   1HG   PRO  76          HG2       PRO  76   2.291   6.990  -8.245
  618   2HG   PRO  76          HG3       PRO  76   1.385   5.673  -9.012
  619   1HD   PRO  76          HD2       PRO  76   0.610   6.884  -6.683
  620   2HD   PRO  76          HD3       PRO  76   0.215   5.199  -7.099
  621    H    ASP  77           HN       ASP  77   2.820   7.478  -5.701
  622    HA   ASP  77           HA       ASP  77   5.338   8.167  -4.585
  623   1HB   ASP  77          HB2       ASP  77   5.477   8.159  -7.299
  624   2HB   ASP  77          HB3       ASP  77   4.890   9.796  -7.023
  625    HA   PRO  78           HA       PRO  78   1.784  10.649  -3.111
  626   1HB   PRO  78          HB2       PRO  78   3.764  11.272  -0.994
  627   2HB   PRO  78          HB3       PRO  78   2.099  10.700  -0.843
  628   1HG   PRO  78          HG2       PRO  78   4.159   9.074  -0.365
  629   2HG   PRO  78          HG3       PRO  78   2.692   8.484  -1.168
  630   1HD   PRO  78          HD2       PRO  78   5.349   9.186  -2.347
  631   2HD   PRO  78          HD3       PRO  78   4.252   7.852  -2.760
  632    H    THR  79           HN       THR  79   5.075  11.532  -3.741
  633    HA   THR  79           HA       THR  79   4.694  14.363  -3.433
  634    HB   THR  79           HB       THR  79   6.982  13.814  -5.021
  635    HG1  THR  79           HG1      THR  79   7.045  11.679  -4.483
  636   1HG2  THR  79          HG21      THR  79   7.166  14.089  -2.062
  637   2HG2  THR  79          HG22      THR  79   6.430  15.406  -2.974
  638   3HG2  THR  79          HG23      THR  79   8.083  14.902  -3.326
  639    H    VAL  80           HN       VAL  80   4.204  12.056  -5.945
  640    HA   VAL  80           HA       VAL  80   4.120  14.203  -7.966
  641    HB   VAL  80           HB       VAL  80   4.877  11.299  -8.246
  642   1HG1  VAL  80          HG11      VAL  80   3.295  11.929 -10.050
  643   2HG1  VAL  80          HG12      VAL  80   4.400  13.222 -10.515
  644   3HG1  VAL  80          HG13      VAL  80   4.912  11.539 -10.635
  645   1HG2  VAL  80          HG21      VAL  80   6.403  13.560  -9.421
  646   2HG2  VAL  80          HG22      VAL  80   6.472  13.325  -7.675
  647   3HG2  VAL  80          HG23      VAL  80   6.977  12.030  -8.761
  648    H    ASP  81           HN       ASP  81   2.639  11.095  -7.060
  649    HA   ASP  81           HA       ASP  81   0.347  11.667  -8.771
  650   1HB   ASP  81          HB2       ASP  81   1.543   9.365  -8.538
  651   2HB   ASP  81          HB3       ASP  81   0.622   9.220  -7.044
  652    H    LYS  82           HN       LYS  82  -1.700  12.010  -8.038
  653    HA   LYS  82           HA       LYS  82  -1.958  13.134  -5.438
  654   1HB   LYS  82          HB2       LYS  82  -3.464  13.125  -7.861
  655   2HB   LYS  82          HB3       LYS  82  -4.526  12.616  -6.555
  656   1HG   LYS  82          HG2       LYS  82  -2.884  14.920  -5.863
  657   2HG   LYS  82          HG3       LYS  82  -3.955  15.207  -7.236
  658   1HD   LYS  82          HD2       LYS  82  -5.687  15.419  -5.854
  659   2HD   LYS  82          HD3       LYS  82  -5.404  13.795  -5.226
  660   1HE   LYS  82          HE2       LYS  82  -3.515  15.010  -3.858
  661   2HE   LYS  82          HE3       LYS  82  -4.514  16.432  -4.159
  662   1HZ   LYS  82          HZ1       LYS  82  -6.053  15.740  -2.715
  663   2HZ   LYS  82          HZ2       LYS  82  -4.856  14.703  -2.116
  664   3HZ   LYS  82          HZ3       LYS  82  -5.993  14.132  -3.237
  665    H    GLN  83           HN       GLN  83  -1.731  11.772  -3.816
  666    HA   GLN  83           HA       GLN  83  -2.274   9.342  -3.107
  667   1HB   GLN  83          HB2       GLN  83  -1.744  10.922  -1.420
  668   2HB   GLN  83          HB3       GLN  83  -3.227  11.821  -1.689
  669   1HG   GLN  83          HG2       GLN  83  -3.510  10.662   0.333
  670   2HG   GLN  83          HG3       GLN  83  -4.474   9.800  -0.865
  671   1HE2  GLN  83          HE21      GLN  83  -4.365   7.715  -0.651
  672   2HE2  GLN  83          HE22      GLN  83  -2.983   6.796  -0.163
  673    H    ILE  84           HN       ILE  84  -3.739   7.899  -3.718
  674    HA   ILE  84           HA       ILE  84  -6.410   8.684  -4.401
  675    HB   ILE  84           HB       ILE  84  -5.574   5.816  -4.109
  676   1HG1  ILE  84          HG12      ILE  84  -5.232   6.884  -6.798
  677   2HG1  ILE  84          HG13      ILE  84  -4.110   7.610  -5.646
  678   1HG2  ILE  84          HG21      ILE  84  -7.691   5.651  -4.814
  679   2HG2  ILE  84          HG22      ILE  84  -7.735   7.319  -5.384
  680   3HG2  ILE  84          HG23      ILE  84  -7.030   6.061  -6.396
  681   1HD1  ILE  84          HD11      ILE  84  -4.466   4.646  -5.812
  682   2HD1  ILE  84          HD12      ILE  84  -3.386   5.509  -6.907
  683   3HD1  ILE  84          HD13      ILE  84  -3.109   5.569  -5.167
  684    H    LYS  85           HN       LYS  85  -8.120   8.706  -3.079
  685    HA   LYS  85           HA       LYS  85  -8.081   7.047  -0.664
  686   1HB   LYS  85          HB2       LYS  85  -9.037   9.021   0.608
  687   2HB   LYS  85          HB3       LYS  85  -7.329   9.122   0.207
  688   1HG   LYS  85          HG2       LYS  85  -7.692  11.091  -0.731
  689   2HG   LYS  85          HG3       LYS  85  -8.738  10.316  -1.922
  690   1HD   LYS  85          HD2       LYS  85 -10.670  10.731  -0.657
  691   2HD   LYS  85          HD3       LYS  85  -9.743  11.077   0.803
  692   1HE   LYS  85          HE2       LYS  85  -8.845  13.103  -0.291
  693   2HE   LYS  85          HE3       LYS  85  -9.864  12.769  -1.692
  694   1HZ   LYS  85          HZ1       LYS  85 -10.656  13.613   1.015
  695   2HZ   LYS  85          HZ2       LYS  85 -11.758  12.779   0.029
  696   3HZ   LYS  85          HZ3       LYS  85 -11.114  14.261  -0.487
  697    H    ILE  86           HN       ILE  86 -10.171   6.614   0.203
  698    HA   ILE  86           HA       ILE  86 -12.399   7.250  -1.623
  699    HB   ILE  86           HB       ILE  86 -12.502   4.924   0.257
  700   1HG1  ILE  86          HG12      ILE  86 -11.814   4.169  -2.462
  701   2HG1  ILE  86          HG13      ILE  86 -10.543   5.111  -1.693
  702   1HG2  ILE  86          HG21      ILE  86 -14.334   6.073  -1.395
  703   2HG2  ILE  86          HG22      ILE  86 -13.713   4.764  -2.401
  704   3HG2  ILE  86          HG23      ILE  86 -14.398   4.408  -0.816
  705   1HD1  ILE  86          HD11      ILE  86 -11.122   2.375  -1.377
  706   2HD1  ILE  86          HD12      ILE  86  -9.875   3.334  -0.577
  707   3HD1  ILE  86          HD13      ILE  86 -11.469   3.166   0.159
  708    H    GLU  87           HN       GLU  87 -14.116   8.269  -0.780
  709    HA   GLU  87           HA       GLU  87 -14.110   8.861   2.073
  710   1HB   GLU  87          HB2       GLU  87 -15.081  10.182  -0.290
  711   2HB   GLU  87          HB3       GLU  87 -16.410   9.960   0.840
  712   1HG   GLU  87          HG2       GLU  87 -15.699  11.667   2.043
  713   2HG   GLU  87          HG3       GLU  87 -14.148  10.870   2.296
  714    H    LEU  88           HN       LEU  88 -14.834   7.178   3.209
  715    HA   LEU  88           HA       LEU  88 -17.388   5.956   2.405
  716   1HB   LEU  88          HB2       LEU  88 -16.590   3.834   2.685
  717   2HB   LEU  88          HB3       LEU  88 -15.110   4.617   2.170
  718    HG   LEU  88           HG       LEU  88 -15.686   4.413   5.106
  719   1HD1  LEU  88          HD11      LEU  88 -15.380   2.214   5.258
  720   2HD1  LEU  88          HD12      LEU  88 -15.809   2.163   3.548
  721   3HD1  LEU  88          HD13      LEU  88 -14.114   2.208   4.031
  722   1HD2  LEU  88          HD21      LEU  88 -13.331   4.472   5.308
  723   2HD2  LEU  88          HD22      LEU  88 -13.096   4.131   3.593
  724   3HD2  LEU  88          HD23      LEU  88 -13.743   5.692   4.103
  725    HA   PRO  89           HA       PRO  89 -18.965   6.523   6.561
  726   1HB   PRO  89          HB2       PRO  89 -19.254   3.551   6.632
  727   2HB   PRO  89          HB3       PRO  89 -20.438   4.806   7.017
  728   1HG   PRO  89          HG2       PRO  89 -20.577   3.463   4.719
  729   2HG   PRO  89          HG3       PRO  89 -20.951   5.196   4.793
  730   1HD   PRO  89          HD2       PRO  89 -18.531   3.821   3.732
  731   2HD   PRO  89          HD3       PRO  89 -19.316   5.312   3.176
  732    HA   PRO  90           HA       PRO  90 -15.014   6.058   8.556
  733   1HB   PRO  90          HB2       PRO  90 -16.018   6.708  11.097
  734   2HB   PRO  90          HB3       PRO  90 -15.346   7.833   9.916
  735   1HG   PRO  90          HG2       PRO  90 -18.189   7.170  10.501
  736   2HG   PRO  90          HG3       PRO  90 -17.468   8.717  10.021
  737   1HD   PRO  90          HD2       PRO  90 -18.862   7.234   8.285
  738   2HD   PRO  90          HD3       PRO  90 -17.420   8.137   7.773
  739    H    LYS  91           HN       LYS  91 -17.922   4.621   9.991
  740    HA   LYS  91           HA       LYS  91 -16.251   2.359  10.829
  741   1HB   LYS  91          HB2       LYS  91 -18.625   3.292  12.440
  742   2HB   LYS  91          HB3       LYS  91 -17.371   2.157  12.915
  743   1HG   LYS  91          HG2       LYS  91 -15.882   3.807  13.443
  744   2HG   LYS  91          HG3       LYS  91 -16.576   4.954  12.297
  745   1HD   LYS  91          HD2       LYS  91 -18.572   5.119  13.780
  746   2HD   LYS  91          HD3       LYS  91 -17.722   4.109  14.952
  747   1HE   LYS  91          HE2       LYS  91 -16.436   6.594  13.894
  748   2HE   LYS  91          HE3       LYS  91 -17.637   6.699  15.181
  749   1HZ   LYS  91          HZ1       LYS  91 -15.936   4.696  15.968
  750   2HZ   LYS  91          HZ2       LYS  91 -15.981   6.280  16.575
  751   3HZ   LYS  91          HZ3       LYS  91 -14.910   5.884  15.321
  Start of MODEL   19
    1   1H    GLY   1          H1        GLY   1  14.159 -20.374   5.008
    2   2H    GLY   1          H2        GLY   1  13.321 -19.580   3.768
    3   3H    GLY   1          H3        GLY   1  12.480 -20.565   4.861
    4   1HA   GLY   1          HA2       GLY   1  12.137 -18.864   6.197
    5   2HA   GLY   1          HA1       GLY   1  13.875 -18.666   6.354
    6    H    SER   2           HN       SER   2  11.536 -18.155   3.700
    7    HA   SER   2           HA       SER   2  12.848 -15.688   2.969
    8   1HB   SER   2          HB2       SER   2  10.185 -16.646   1.932
    9   2HB   SER   2          HB3       SER   2  11.376 -15.633   1.116
   10    HG   SER   2           HG       SER   2  12.402 -18.055   1.852
   11    H    MET   3           HN       MET   3  11.628 -13.641   2.792
   12    HA   MET   3           HA       MET   3   9.916 -13.322   5.164
   13   1HB   MET   3          HB2       MET   3  12.187 -11.892   4.254
   14   2HB   MET   3          HB3       MET   3  10.804 -10.819   4.085
   15   1HG   MET   3          HG2       MET   3  10.906 -10.372   6.242
   16   2HG   MET   3          HG3       MET   3  10.583 -12.064   6.604
   17   1HE   MET   3          HE1       MET   3  14.317  -9.641   6.815
   18   2HE   MET   3          HE2       MET   3  14.334 -10.423   5.234
   19   3HE   MET   3          HE3       MET   3  12.961  -9.424   5.711
   20    HA   PRO   4           HA       PRO   4   6.634 -12.583   2.212
   21   1HB   PRO   4          HB2       PRO   4   4.696 -12.100   4.046
   22   2HB   PRO   4          HB3       PRO   4   5.266 -13.729   3.668
   23   1HG   PRO   4          HG2       PRO   4   6.017 -11.944   5.955
   24   2HG   PRO   4          HG3       PRO   4   5.643 -13.679   5.965
   25   1HD   PRO   4          HD2       PRO   4   8.178 -12.744   6.007
   26   2HD   PRO   4          HD3       PRO   4   7.739 -14.264   5.203
   27    H    THR   5           HN       THR   5   7.931 -10.460   4.563
   28    HA   THR   5           HA       THR   5   6.263  -8.203   4.011
   29    HB   THR   5           HB       THR   5   8.676  -7.323   5.170
   30    HG1  THR   5           HG1      THR   5   9.270  -8.881   6.534
   31   1HG2  THR   5          HG21      THR   5   7.263  -7.096   7.184
   32   2HG2  THR   5          HG22      THR   5   6.020  -8.069   6.397
   33   3HG2  THR   5          HG23      THR   5   6.467  -6.498   5.727
   34    H    THR   6           HN       THR   6   6.720  -8.625   1.598
   35    HA   THR   6           HA       THR   6   8.956  -6.874   0.820
   36    HB   THR   6           HB       THR   6   7.884  -8.934  -1.072
   37    HG1  THR   6           HG1      THR   6   8.461 -10.068   0.864
   38   1HG2  THR   6          HG21      THR   6   9.868  -6.972  -1.181
   39   2HG2  THR   6          HG22      THR   6   9.588  -8.267  -2.346
   40   3HG2  THR   6          HG23      THR   6  10.738  -8.497  -1.029
   41    H    CYS   7           HN       CYS   7   8.391  -5.109  -0.249
   42    HA   CYS   7           HA       CYS   7   5.747  -4.361  -0.720
   43   1HB   CYS   7          HB2       CYS   7   7.714  -2.808  -0.503
   44   2HB   CYS   7          HB3       CYS   7   8.180  -3.264  -2.140
   45    H    GLY   8           HN       GLY   8   4.440  -4.453  -2.438
   46   1HA   GLY   8          HA1       GLY   8   5.339  -6.155  -4.667
   47   2HA   GLY   8          HA2       GLY   8   3.671  -5.977  -4.139
   48    H    PHE   9           HN       PHE   9   5.472  -3.088  -4.195
   49    HA   PHE   9           HA       PHE   9   3.834  -2.074  -6.333
   50   1HB   PHE   9          HB2       PHE   9   5.228  -0.983  -4.125
   51   2HB   PHE   9          HB3       PHE   9   5.928  -0.266  -5.572
   52    HD1  PHE   9           HD1      PHE   9   3.079  -0.376  -3.370
   53    HD2  PHE   9           HD2      PHE   9   4.450   0.918  -7.184
   54    HE1  PHE   9           HE1      PHE   9   1.146   1.139  -3.546
   55    HE2  PHE   9           HE2      PHE   9   2.526   2.437  -7.365
   56    HZ   PHE   9           HZ       PHE   9   0.877   2.556  -5.548
   57    HA   PRO  10           HA       PRO  10   6.515  -3.221  -9.614
   58   1HB   PRO  10          HB2       PRO  10   5.419  -0.847 -11.002
   59   2HB   PRO  10          HB3       PRO  10   5.399  -2.544 -11.490
   60   1HG   PRO  10          HG2       PRO  10   3.183  -1.350 -10.610
   61   2HG   PRO  10          HG3       PRO  10   3.543  -3.034 -10.186
   62   1HD   PRO  10          HD2       PRO  10   3.854  -0.555  -8.540
   63   2HD   PRO  10          HD3       PRO  10   3.270  -2.160  -8.056
   64    H    ASN  11           HN       ASN  11   6.610  -0.112  -8.173
   65    HA   ASN  11           HA       ASN  11   9.430   0.056  -8.685
   66   1HB   ASN  11          HB2       ASN  11   8.122   1.223 -10.645
   67   2HB   ASN  11          HB3       ASN  11   7.935   2.527  -9.473
   68   1HD2  ASN  11          HD21      ASN  11   9.262   3.980 -10.513
   69   2HD2  ASN  11          HD22      ASN  11  10.969   3.751 -10.662
   70    H    CYS  12           HN       CYS  12   9.098  -0.309  -6.348
   71    HA   CYS  12           HA       CYS  12   8.205   1.934  -4.793
   72   1HB   CYS  12          HB2       CYS  12   8.026  -0.408  -3.967
   73   2HB   CYS  12          HB3       CYS  12   9.783  -0.484  -3.898
   74    H    LYS  13           HN       LYS  13   9.411   3.707  -5.211
   75    HA   LYS  13           HA       LYS  13  12.267   3.675  -5.309
   76   1HB   LYS  13          HB2       LYS  13  12.064   5.818  -5.990
   77   2HB   LYS  13          HB3       LYS  13  10.349   5.458  -6.098
   78   1HG   LYS  13          HG2       LYS  13  10.570   6.186  -3.490
   79   2HG   LYS  13          HG3       LYS  13  11.805   7.198  -4.241
   80   1HD   LYS  13          HD2       LYS  13  10.090   7.953  -5.883
   81   2HD   LYS  13          HD3       LYS  13   8.884   7.041  -4.969
   82   1HE   LYS  13          HE2       LYS  13   8.728   8.624  -3.406
   83   2HE   LYS  13          HE3       LYS  13  10.479   8.774  -3.272
   84   1HZ   LYS  13          HZ1       LYS  13   9.512  10.843  -3.994
   85   2HZ   LYS  13          HZ2       LYS  13   8.748  10.086  -5.306
   86   3HZ   LYS  13          HZ3       LYS  13  10.441  10.197  -5.257
   87    H    PHE  14           HN       PHE  14  10.025   3.480  -2.824
   88    HA   PHE  14           HA       PHE  14  11.512   4.960  -0.850
   89   1HB   PHE  14          HB2       PHE  14   9.036   3.243  -0.693
   90   2HB   PHE  14          HB3       PHE  14   9.742   4.056   0.701
   91    HD1  PHE  14           HD1      PHE  14   7.440   4.337  -1.963
   92    HD2  PHE  14           HD2      PHE  14  10.088   6.618   0.468
   93    HE1  PHE  14           HE1      PHE  14   6.179   6.377  -2.512
   94    HE2  PHE  14           HE2      PHE  14   8.828   8.661  -0.072
   95    HZ   PHE  14           HZ       PHE  14   6.872   8.545  -1.566
   96    H    ARG  15           HN       ARG  15  11.018   1.576  -1.743
   97    HA   ARG  15           HA       ARG  15  12.578   0.596   0.476
   98   1HB   ARG  15          HB2       ARG  15  11.166  -0.562  -1.838
   99   2HB   ARG  15          HB3       ARG  15  12.603  -1.441  -1.329
  100   1HG   ARG  15          HG2       ARG  15  11.444  -1.102   1.051
  101   2HG   ARG  15          HG3       ARG  15  10.007  -1.103   0.024
  102   1HD   ARG  15          HD2       ARG  15  12.149  -3.218  -0.093
  103   2HD   ARG  15          HD3       ARG  15  10.696  -3.356   0.899
  104    HE   ARG  15           HE       ARG  15   9.460  -3.097  -1.289
  105   1HH1  ARG  15          HH12      ARG  15  12.682  -4.486  -1.141
  106   2HH1  ARG  15          HH11      ARG  15  12.453  -5.461  -2.567
  107   1HH2  ARG  15          HH22      ARG  15   9.175  -4.386  -3.158
  108   2HH2  ARG  15          HH21      ARG  15  10.484  -5.376  -3.717
  109    H    SER  16           HN       SER  16  13.095   0.902  -3.028
  110    HA   SER  16           HA       SER  16  15.723  -0.085  -3.038
  111   1HB   SER  16          HB2       SER  16  14.813   1.915  -5.069
  112   2HB   SER  16          HB3       SER  16  15.745   0.433  -5.295
  113    HG   SER  16           HG       SER  16  12.998   0.811  -5.155
  114    H    ARG  17           HN       ARG  17  14.502   2.973  -2.073
  115    HA   ARG  17           HA       ARG  17  16.710   4.635  -2.501
  116   1HB   ARG  17          HB2       ARG  17  14.483   5.413  -1.727
  117   2HB   ARG  17          HB3       ARG  17  14.785   4.666  -0.166
  118   1HG   ARG  17          HG2       ARG  17  16.919   6.188  -0.201
  119   2HG   ARG  17          HG3       ARG  17  15.962   7.126  -1.349
  120   1HD   ARG  17          HD2       ARG  17  14.303   6.425   0.857
  121   2HD   ARG  17          HD3       ARG  17  15.805   7.103   1.480
  122    HE   ARG  17           HE       ARG  17  14.927   8.755  -0.589
  123   1HH1  ARG  17          HH12      ARG  17  13.901   7.796   2.631
  124   2HH1  ARG  17          HH11      ARG  17  13.039   9.272   2.922
  125   1HH2  ARG  17          HH22      ARG  17  13.793  10.678  -0.208
  126   2HH2  ARG  17          HH21      ARG  17  12.979  10.925   1.311
  127    H    TYR  18           HN       TYR  18  16.158   2.112  -0.164
  128    HA   TYR  18           HA       TYR  18  18.739   2.760   1.105
  129   1HB   TYR  18          HB2       TYR  18  16.497   1.135   2.320
  130   2HB   TYR  18          HB3       TYR  18  17.969   1.672   3.119
  131    HD1  TYR  18           HD1      TYR  18  14.600   2.549   2.145
  132    HD2  TYR  18           HD2      TYR  18  18.274   4.091   3.633
  133    HE1  TYR  18           HE1      TYR  18  13.439   4.582   2.888
  134    HE2  TYR  18           HE2      TYR  18  17.122   6.129   4.386
  135    HH   TYR  18           HH       TYR  18  13.777   6.359   4.630
  136    H    ARG  19           HN       ARG  19  16.591   0.031   0.346
  137    HA   ARG  19           HA       ARG  19  16.965  -2.107  -0.269
  138   1HB   ARG  19          HB2       ARG  19  19.135  -0.614  -1.542
  139   2HB   ARG  19          HB3       ARG  19  19.538  -2.300  -1.249
  140   1HG   ARG  19          HG2       ARG  19  17.238  -1.216  -2.850
  141   2HG   ARG  19          HG3       ARG  19  18.620  -2.148  -3.429
  142   1HD   ARG  19          HD2       ARG  19  17.829  -4.027  -1.953
  143   2HD   ARG  19          HD3       ARG  19  16.357  -3.094  -1.680
  144    HE   ARG  19           HE       ARG  19  17.197  -4.355  -4.197
  145   1HH1  ARG  19          HH12      ARG  19  14.803  -2.548  -2.377
  146   2HH1  ARG  19          HH11      ARG  19  13.556  -2.759  -3.570
  147   1HH2  ARG  19          HH22      ARG  19  15.535  -4.665  -5.737
  148   2HH2  ARG  19          HH21      ARG  19  13.969  -3.960  -5.467
  149    H    GLY  20           HN       GLY  20  17.004  -2.112   2.199
  150   1HA   GLY  20          HA1       GLY  20  18.198  -4.089   3.377
  151   2HA   GLY  20          HA2       GLY  20  19.605  -3.045   3.225
  152    H    LEU  21           HN       LEU  21  16.819  -1.230   3.631
  153    HA   LEU  21           HA       LEU  21  16.946  -1.249   6.543
  154   1HB   LEU  21          HB2       LEU  21  17.441   1.199   4.854
  155   2HB   LEU  21          HB3       LEU  21  17.057   1.261   6.562
  156    HG   LEU  21           HG       LEU  21  19.402  -0.370   5.710
  157   1HD1  LEU  21          HD11      LEU  21  19.616   2.603   6.096
  158   2HD1  LEU  21          HD12      LEU  21  20.857   1.476   5.549
  159   3HD1  LEU  21          HD13      LEU  21  19.488   1.855   4.504
  160   1HD2  LEU  21          HD21      LEU  21  18.567  -0.276   8.051
  161   2HD2  LEU  21          HD22      LEU  21  20.239   0.252   7.862
  162   3HD2  LEU  21          HD23      LEU  21  18.956   1.444   8.073
  163    H    GLU  22           HN       GLU  22  15.585   0.201   3.687
  164    HA   GLU  22           HA       GLU  22  13.547   1.040   3.149
  165   1HB   GLU  22          HB2       GLU  22  12.155  -1.161   4.550
  166   2HB   GLU  22          HB3       GLU  22  12.052  -0.642   2.875
  167   1HG   GLU  22          HG2       GLU  22  14.251  -2.309   4.086
  168   2HG   GLU  22          HG3       GLU  22  12.957  -2.888   3.040
  169    H    ASP  23           HN       ASP  23  14.523   2.155   5.560
  170    HA   ASP  23           HA       ASP  23  13.833   3.689   7.086
  171   1HB   ASP  23          HB2       ASP  23  11.232   3.146   5.706
  172   2HB   ASP  23          HB3       ASP  23  11.251   4.102   7.181
  173    H    ASN  24           HN       ASN  24  13.323   0.499   7.361
  174    HA   ASN  24           HA       ASN  24  12.364  -0.966   8.822
  175   1HB   ASN  24          HB2       ASN  24  13.914   0.329  10.366
  176   2HB   ASN  24          HB3       ASN  24  12.521   1.294  10.832
  177   1HD2  ASN  24          HD21      ASN  24  11.606   0.683  12.638
  178   2HD2  ASN  24          HD22      ASN  24  11.560  -0.927  13.272
  179    H    ARG  25           HN       ARG  25  10.720   0.537   7.148
  180    HA   ARG  25           HA       ARG  25   8.625   1.942   8.350
  181   1HB   ARG  25          HB2       ARG  25   9.362   1.066   5.733
  182   2HB   ARG  25          HB3       ARG  25   7.660   0.708   5.988
  183   1HG   ARG  25          HG2       ARG  25   7.077   2.851   5.838
  184   2HG   ARG  25          HG3       ARG  25   8.400   3.374   6.882
  185   1HD   ARG  25          HD2       ARG  25   8.429   4.223   4.486
  186   2HD   ARG  25          HD3       ARG  25   9.914   3.491   5.087
  187    HE   ARG  25           HE       ARG  25   8.101   1.745   3.624
  188   1HH1  ARG  25          HH12      ARG  25  10.984   3.755   3.551
  189   2HH1  ARG  25          HH11      ARG  25  11.629   2.976   2.135
  190   1HH2  ARG  25          HH22      ARG  25   8.938   0.732   1.767
  191   2HH2  ARG  25          HH21      ARG  25  10.465   1.261   1.121
  192    H    HIS  26           HN       HIS  26   6.531   1.411   8.877
  193    HA   HIS  26           HA       HIS  26   6.042  -1.252   9.784
  194   1HB   HIS  26          HB2       HIS  26   4.316   1.225   9.618
  195   2HB   HIS  26          HB3       HIS  26   3.694  -0.313  10.172
  196    HD2  HIS  26           HD2      HIS  26   6.985   1.488  11.192
  197    HE1  HIS  26           HE1      HIS  26   4.736   0.574  14.645
  198    HE2  HIS  26           HE2      HIS  26   6.981   1.388  13.784
  199    H    PHE  27           HN       PHE  27   5.731  -2.823   8.346
  200    HA   PHE  27           HA       PHE  27   4.734  -2.249   5.716
  201   1HB   PHE  27          HB2       PHE  27   5.958  -4.546   7.095
  202   2HB   PHE  27          HB3       PHE  27   4.779  -4.970   5.857
  203    HD1  PHE  27           HD1      PHE  27   5.107  -4.106   3.526
  204    HD2  PHE  27           HD2      PHE  27   8.108  -3.823   6.528
  205    HE1  PHE  27           HE1      PHE  27   6.809  -3.777   1.784
  206    HE2  PHE  27           HE2      PHE  27   9.819  -3.492   4.790
  207    HZ   PHE  27           HZ       PHE  27   9.169  -3.474   2.418
  208    H    TYR  28           HN       TYR  28   2.674  -1.996   5.308
  209    HA   TYR  28           HA       TYR  28   0.675  -2.905   7.169
  210   1HB   TYR  28          HB2       TYR  28   0.570  -1.358   4.581
  211   2HB   TYR  28          HB3       TYR  28  -0.893  -1.894   5.401
  212    HD1  TYR  28           HD1      TYR  28   0.690  -1.415   8.199
  213    HD2  TYR  28           HD2      TYR  28  -0.331   0.944   4.814
  214    HE1  TYR  28           HE1      TYR  28   0.751   0.607   9.596
  215    HE2  TYR  28           HE2      TYR  28  -0.267   2.972   6.197
  216    HH   TYR  28           HH       TYR  28   1.162   3.129   9.170
  217    H    ARG  29           HN       ARG  29  -0.960  -4.382   6.784
  218    HA   ARG  29           HA       ARG  29  -0.465  -6.349   4.705
  219   1HB   ARG  29          HB2       ARG  29  -3.014  -6.538   6.163
  220   2HB   ARG  29          HB3       ARG  29  -1.775  -7.759   5.916
  221   1HG   ARG  29          HG2       ARG  29  -1.412  -5.538   7.896
  222   2HG   ARG  29          HG3       ARG  29  -2.281  -7.017   8.308
  223   1HD   ARG  29          HD2       ARG  29  -0.346  -8.031   8.708
  224   2HD   ARG  29          HD3       ARG  29   0.126  -7.771   7.029
  225    HE   ARG  29           HE       ARG  29   1.198  -5.733   7.699
  226   1HH1  ARG  29          HH12      ARG  29   0.172  -7.807  10.335
  227   2HH1  ARG  29          HH11      ARG  29   1.261  -7.082  11.488
  228   1HH2  ARG  29          HH22      ARG  29   2.593  -4.761   9.205
  229   2HH2  ARG  29          HH21      ARG  29   2.608  -5.316  10.858
  230    H    ILE  30           HN       ILE  30  -2.810  -7.011   3.633
  231    HA   ILE  30           HA       ILE  30  -3.669  -4.532   2.344
  232    HB   ILE  30           HB       ILE  30  -4.317  -7.369   1.538
  233   1HG1  ILE  30          HG12      ILE  30  -2.268  -5.503   0.330
  234   2HG1  ILE  30          HG13      ILE  30  -1.868  -6.773   1.482
  235   1HG2  ILE  30          HG21      ILE  30  -4.879  -4.681   0.361
  236   2HG2  ILE  30          HG22      ILE  30  -4.653  -6.070  -0.705
  237   3HG2  ILE  30          HG23      ILE  30  -5.935  -6.088   0.508
  238   1HD1  ILE  30          HD11      ILE  30  -2.193  -8.432  -0.029
  239   2HD1  ILE  30          HD12      ILE  30  -3.392  -7.519  -0.945
  240   3HD1  ILE  30          HD13      ILE  30  -1.678  -7.138  -1.110
  241    HA   PRO  31           HA       PRO  31  -7.116  -4.581   5.280
  242   1HB   PRO  31          HB2       PRO  31  -7.656  -2.245   3.481
  243   2HB   PRO  31          HB3       PRO  31  -7.767  -2.349   5.251
  244   1HG   PRO  31          HG2       PRO  31  -5.681  -1.140   4.214
  245   2HG   PRO  31          HG3       PRO  31  -5.420  -2.349   5.496
  246   1HD   PRO  31          HD2       PRO  31  -5.120  -2.675   2.526
  247   2HD   PRO  31          HD3       PRO  31  -4.016  -3.180   3.825
  248    H    LYS  32           HN       LYS  32  -8.538  -6.167   4.793
  249    HA   LYS  32           HA       LYS  32  -9.943  -6.026   2.222
  250   1HB   LYS  32          HB2       LYS  32 -10.741  -8.373   2.944
  251   2HB   LYS  32          HB3       LYS  32  -9.077  -8.182   2.415
  252   1HG   LYS  32          HG2       LYS  32  -8.401  -9.108   4.302
  253   2HG   LYS  32          HG3       LYS  32  -9.093  -7.756   5.197
  254   1HD   LYS  32          HD2       LYS  32  -9.872 -10.074   5.874
  255   2HD   LYS  32          HD3       LYS  32 -11.132  -8.888   5.533
  256   1HE   LYS  32          HE2       LYS  32 -12.006 -10.479   4.217
  257   2HE   LYS  32          HE3       LYS  32 -10.748 -10.013   3.077
  258   1HZ   LYS  32          HZ1       LYS  32  -9.424 -11.813   3.689
  259   2HZ   LYS  32          HZ2       LYS  32 -10.991 -12.466   3.642
  260   3HZ   LYS  32          HZ3       LYS  32 -10.277 -12.088   5.131
  261    H    ARG  33           HN       ARG  33 -10.438  -4.398   4.671
  262    HA   ARG  33           HA       ARG  33 -13.327  -4.840   4.753
  263   1HB   ARG  33          HB2       ARG  33 -11.474  -4.763   7.094
  264   2HB   ARG  33          HB3       ARG  33 -13.055  -4.012   7.262
  265   1HG   ARG  33          HG2       ARG  33 -13.179  -6.668   6.081
  266   2HG   ARG  33          HG3       ARG  33 -12.469  -6.653   7.698
  267   1HD   ARG  33          HD2       ARG  33 -14.415  -6.082   8.685
  268   2HD   ARG  33          HD3       ARG  33 -14.883  -5.007   7.370
  269    HE   ARG  33           HE       ARG  33 -16.121  -6.701   6.483
  270   1HH1  ARG  33          HH12      ARG  33 -13.794  -8.111   8.703
  271   2HH1  ARG  33          HH11      ARG  33 -14.388  -9.732   8.498
  272   1HH2  ARG  33          HH22      ARG  33 -16.871  -8.851   6.196
  273   2HH2  ARG  33          HH21      ARG  33 -16.106 -10.148   7.063
  274    HA   PRO  34           HA       PRO  34 -14.853  -3.975   4.053
  275   1HB   PRO  34          HB2       PRO  34 -15.366  -2.149   1.847
  276   2HB   PRO  34          HB3       PRO  34 -16.421  -2.595   3.187
  277   1HG   PRO  34          HG2       PRO  34 -15.340  -0.116   2.913
  278   2HG   PRO  34          HG3       PRO  34 -15.738  -0.835   4.484
  279   1HD   PRO  34          HD2       PRO  34 -13.083  -0.632   3.111
  280   2HD   PRO  34          HD3       PRO  34 -13.489  -0.374   4.821
  281    H    LEU  35           HN       LEU  35 -15.241  -5.151   2.033
  282    HA   LEU  35           HA       LEU  35 -12.848  -6.083   0.873
  283   1HB   LEU  35          HB2       LEU  35 -15.720  -6.620   0.603
  284   2HB   LEU  35          HB3       LEU  35 -14.810  -6.897  -0.869
  285    HG   LEU  35           HG       LEU  35 -14.889  -8.978   0.228
  286   1HD1  LEU  35          HD11      LEU  35 -12.230  -8.003   1.180
  287   2HD1  LEU  35          HD12      LEU  35 -12.653  -9.540   0.429
  288   3HD1  LEU  35          HD13      LEU  35 -12.594  -8.069  -0.542
  289   1HD2  LEU  35          HD21      LEU  35 -14.444  -7.358   2.680
  290   2HD2  LEU  35          HD22      LEU  35 -15.592  -8.663   2.377
  291   3HD2  LEU  35          HD23      LEU  35 -13.891  -9.033   2.657
  292    H    ILE  36           HN       ILE  36 -15.257  -3.764  -0.246
  293    HA   ILE  36           HA       ILE  36 -14.281  -3.514  -2.882
  294    HB   ILE  36           HB       ILE  36 -16.307  -2.262  -1.293
  295   1HG1  ILE  36          HG12      ILE  36 -17.391  -1.984  -3.385
  296   2HG1  ILE  36          HG13      ILE  36 -15.866  -1.962  -4.260
  297   1HG2  ILE  36          HG21      ILE  36 -16.175  -0.005  -2.514
  298   2HG2  ILE  36          HG22      ILE  36 -15.174  -0.243  -1.082
  299   3HG2  ILE  36          HG23      ILE  36 -14.458  -0.364  -2.691
  300   1HD1  ILE  36          HD11      ILE  36 -17.570  -4.151  -3.714
  301   2HD1  ILE  36          HD12      ILE  36 -16.058  -4.130  -4.619
  302   3HD1  ILE  36          HD13      ILE  36 -16.040  -4.429  -2.882
  303    H    LEU  37           HN       LEU  37 -13.279  -2.063   0.146
  304    HA   LEU  37           HA       LEU  37 -11.560  -0.097  -0.964
  305   1HB   LEU  37          HB2       LEU  37 -11.954   0.371   1.236
  306   2HB   LEU  37          HB3       LEU  37 -11.981  -1.318   1.703
  307    HG   LEU  37           HG       LEU  37  -9.339  -0.943   1.044
  308   1HD1  LEU  37          HD11      LEU  37  -9.892   1.400   2.769
  309   2HD1  LEU  37          HD12      LEU  37  -8.563   1.103   1.648
  310   3HD1  LEU  37          HD13      LEU  37 -10.143   1.585   1.034
  311   1HD2  LEU  37          HD21      LEU  37  -9.046  -0.800   3.557
  312   2HD2  LEU  37          HD22      LEU  37 -10.807  -0.801   3.660
  313   3HD2  LEU  37          HD23      LEU  37  -9.964  -2.177   2.946
  314    H    ARG  38           HN       ARG  38 -11.132  -3.440   0.062
  315    HA   ARG  38           HA       ARG  38  -8.376  -3.666  -0.412
  316   1HB   ARG  38          HB2       ARG  38  -9.734  -5.348   0.796
  317   2HB   ARG  38          HB3       ARG  38 -10.511  -5.792  -0.716
  318   1HG   ARG  38          HG2       ARG  38  -8.131  -6.307  -1.547
  319   2HG   ARG  38          HG3       ARG  38  -7.688  -6.268   0.161
  320   1HD   ARG  38          HD2       ARG  38  -8.865  -8.158   0.654
  321   2HD   ARG  38          HD3       ARG  38 -10.056  -7.878  -0.617
  322    HE   ARG  38           HE       ARG  38  -7.368  -9.020  -1.003
  323   1HH1  ARG  38          HH12      ARG  38 -10.618  -8.426  -2.162
  324   2HH1  ARG  38          HH11      ARG  38 -10.496  -9.542  -3.491
  325   1HH2  ARG  38          HH22      ARG  38  -7.203 -10.496  -2.746
  326   2HH2  ARG  38          HH21      ARG  38  -8.566 -10.744  -3.793
  327    H    GLN  39           HN       GLN  39 -11.165  -3.957  -2.523
  328    HA   GLN  39           HA       GLN  39  -9.771  -4.859  -4.822
  329   1HB   GLN  39          HB2       GLN  39 -12.231  -5.059  -4.479
  330   2HB   GLN  39          HB3       GLN  39 -12.371  -3.318  -4.667
  331   1HG   GLN  39          HG2       GLN  39 -10.961  -4.477  -6.894
  332   2HG   GLN  39          HG3       GLN  39 -12.526  -5.254  -6.656
  333   1HE2  GLN  39          HE21      GLN  39 -13.836  -4.395  -8.111
  334   2HE2  GLN  39          HE22      GLN  39 -14.057  -2.704  -8.397
  335    H    ARG  40           HN       ARG  40 -10.499  -1.680  -3.510
  336    HA   ARG  40           HA       ARG  40  -9.553  -0.258  -5.818
  337   1HB   ARG  40          HB2       ARG  40 -10.161   0.659  -3.002
  338   2HB   ARG  40          HB3       ARG  40  -9.676   1.738  -4.300
  339   1HG   ARG  40          HG2       ARG  40 -12.075  -0.048  -4.495
  340   2HG   ARG  40          HG3       ARG  40 -12.138   1.565  -3.789
  341   1HD   ARG  40          HD2       ARG  40 -12.746   1.962  -5.990
  342   2HD   ARG  40          HD3       ARG  40 -11.013   2.303  -6.012
  343    HE   ARG  40           HE       ARG  40 -11.881  -0.399  -6.715
  344   1HH1  ARG  40          HH12      ARG  40 -10.795   2.745  -7.827
  345   2HH1  ARG  40          HH11      ARG  40 -10.213   2.136  -9.350
  346   1HH2  ARG  40          HH22      ARG  40 -11.136  -1.185  -8.701
  347   2HH2  ARG  40          HH21      ARG  40 -10.391  -0.112  -9.843
  348    H    TRP  41           HN       TRP  41  -8.087  -1.760  -3.134
  349    HA   TRP  41           HA       TRP  41  -5.783  -0.118  -2.882
  350   1HB   TRP  41          HB2       TRP  41  -6.796  -2.600  -1.756
  351   2HB   TRP  41          HB3       TRP  41  -5.060  -2.676  -2.037
  352    HD1  TRP  41           HD1      TRP  41  -7.458  -0.021  -0.525
  353    HE1  TRP  41           HE1      TRP  41  -6.328   0.953   1.571
  354    HE3  TRP  41           HE3      TRP  41  -3.131  -2.727  -0.619
  355    HZ2  TRP  41           HZ2      TRP  41  -3.920   0.609   3.000
  356    HZ3  TRP  41           HZ3      TRP  41  -1.465  -2.348   1.150
  357    HH2  TRP  41           HH2      TRP  41  -1.852  -0.712   2.918
  358    H    LEU  42           HN       LEU  42  -6.698  -2.540  -5.171
  359    HA   LEU  42           HA       LEU  42  -4.004  -3.165  -5.976
  360   1HB   LEU  42          HB2       LEU  42  -6.104  -3.802  -7.904
  361   2HB   LEU  42          HB3       LEU  42  -4.869  -4.828  -7.207
  362    HG   LEU  42           HG       LEU  42  -7.308  -4.054  -5.636
  363   1HD1  LEU  42          HD11      LEU  42  -6.993  -6.239  -7.677
  364   2HD1  LEU  42          HD12      LEU  42  -8.210  -6.286  -6.400
  365   3HD1  LEU  42          HD13      LEU  42  -8.238  -4.991  -7.597
  366   1HD2  LEU  42          HD21      LEU  42  -6.373  -5.334  -4.082
  367   2HD2  LEU  42          HD22      LEU  42  -6.344  -6.695  -5.203
  368   3HD2  LEU  42          HD23      LEU  42  -4.975  -5.582  -5.129
  369    H    THR  43           HN       THR  43  -6.184  -0.668  -6.673
  370    HA   THR  43           HA       THR  43  -5.973  -0.157  -9.348
  371    HB   THR  43           HB       THR  43  -5.850   2.046  -7.294
  372    HG1  THR  43           HG1      THR  43  -7.566   1.021  -6.528
  373   1HG2  THR  43          HG21      THR  43  -7.679   2.285  -9.555
  374   2HG2  THR  43          HG22      THR  43  -5.991   2.142 -10.044
  375   3HG2  THR  43          HG23      THR  43  -6.484   3.430  -8.943
  376    H    ALA  44           HN       ALA  44  -3.683   1.034  -6.862
  377    HA   ALA  44           HA       ALA  44  -2.184   2.468  -8.845
  378   1HB   ALA  44          HB1       ALA  44  -1.057   2.028  -6.145
  379   2HB   ALA  44          HB2       ALA  44  -1.120   3.491  -7.128
  380   3HB   ALA  44          HB3       ALA  44  -2.561   2.939  -6.275
  381    H    ILE  45           HN       ILE  45  -1.865  -0.643  -7.264
  382    HA   ILE  45           HA       ILE  45   0.850  -1.006  -8.167
  383    HB   ILE  45           HB       ILE  45   0.370  -3.468  -7.556
  384   1HG1  ILE  45          HG12      ILE  45  -2.122  -2.111  -6.605
  385   2HG1  ILE  45          HG13      ILE  45  -1.931  -3.661  -7.382
  386   1HG2  ILE  45          HG21      ILE  45   0.215  -1.504  -5.289
  387   2HG2  ILE  45          HG22      ILE  45   0.988  -3.091  -5.312
  388   3HG2  ILE  45          HG23      ILE  45   1.675  -1.757  -6.243
  389   1HD1  ILE  45          HD11      ILE  45  -1.962  -2.980  -4.567
  390   2HD1  ILE  45          HD12      ILE  45  -2.233  -4.530  -5.362
  391   3HD1  ILE  45          HD13      ILE  45  -0.590  -3.994  -5.010
  392    H    GLY  46           HN       GLY  46  -2.252  -1.291  -9.476
  393   1HA   GLY  46          HA1       GLY  46  -3.010  -1.954 -11.529
  394   2HA   GLY  46          HA2       GLY  46  -1.338  -1.850 -12.061
  395    H    ARG  47           HN       ARG  47  -2.933  -3.986  -9.706
  396    HA   ARG  47           HA       ARG  47  -2.137  -6.258 -11.406
  397   1HB   ARG  47          HB2       ARG  47  -1.057  -5.582  -8.887
  398   2HB   ARG  47          HB3       ARG  47  -2.078  -6.990  -8.642
  399   1HG   ARG  47          HG2       ARG  47  -0.852  -8.071 -10.554
  400   2HG   ARG  47          HG3       ARG  47   0.280  -6.716 -10.480
  401   1HD   ARG  47          HD2       ARG  47  -0.005  -7.590  -7.847
  402   2HD   ARG  47          HD3       ARG  47   0.106  -9.057  -8.814
  403    HE   ARG  47           HE       ARG  47   2.274  -8.468  -9.457
  404   1HH1  ARG  47          HH12      ARG  47   0.829  -6.036  -7.391
  405   2HH1  ARG  47          HH11      ARG  47   2.342  -5.259  -7.033
  406   1HH2  ARG  47          HH22      ARG  47   4.267  -7.440  -8.981
  407   2HH2  ARG  47          HH21      ARG  47   4.286  -6.060  -7.924
  408    H    THR  48           HN       THR  48  -3.163  -8.336 -10.544
  409    HA   THR  48           HA       THR  48  -6.010  -7.932 -10.231
  410    HB   THR  48           HB       THR  48  -5.087 -10.692 -10.174
  411    HG1  THR  48           HG1      THR  48  -3.956 -10.715 -12.073
  412   1HG2  THR  48          HG21      THR  48  -6.623  -9.236 -12.324
  413   2HG2  THR  48          HG22      THR  48  -7.360  -9.778 -10.815
  414   3HG2  THR  48          HG23      THR  48  -6.669 -10.956 -11.932
  415    H    GLU  49           HN       GLU  49  -7.202  -9.139  -8.583
  416    HA   GLU  49           HA       GLU  49  -5.899  -8.905  -5.999
  417   1HB   GLU  49          HB2       GLU  49  -8.082  -9.070  -5.044
  418   2HB   GLU  49          HB3       GLU  49  -8.208  -8.029  -6.453
  419   1HG   GLU  49          HG2       GLU  49  -9.802  -9.310  -7.278
  420   2HG   GLU  49          HG3       GLU  49  -8.716 -10.700  -7.272
  421    H    GLU  50           HN       GLU  50  -6.481 -11.330  -8.249
  422    HA   GLU  50           HA       GLU  50  -6.272 -13.524  -6.391
  423   1HB   GLU  50          HB2       GLU  50  -6.206 -13.229  -9.377
  424   2HB   GLU  50          HB3       GLU  50  -5.640 -14.723  -8.640
  425   1HG   GLU  50          HG2       GLU  50  -8.340 -13.566  -8.036
  426   2HG   GLU  50          HG3       GLU  50  -8.058 -14.642  -9.403
  427    H    THR  51           HN       THR  51  -4.289 -11.126  -7.261
  428    HA   THR  51           HA       THR  51  -1.825 -12.735  -7.086
  429    HB   THR  51           HB       THR  51  -1.720 -10.009  -8.240
  430    HG1  THR  51           HG1      THR  51  -2.840 -12.215  -9.676
  431   1HG2  THR  51          HG21      THR  51  -0.293 -12.556  -8.425
  432   2HG2  THR  51          HG22      THR  51   0.301 -10.903  -8.589
  433   3HG2  THR  51          HG23      THR  51  -0.474 -11.699  -9.957
  434    H    VAL  52           HN       VAL  52  -3.451  -9.723  -6.314
  435    HA   VAL  52           HA       VAL  52  -1.448  -8.917  -4.390
  436    HB   VAL  52           HB       VAL  52  -4.133  -7.717  -5.087
  437   1HG1  VAL  52          HG11      VAL  52  -1.948  -6.849  -3.235
  438   2HG1  VAL  52          HG12      VAL  52  -2.934  -5.641  -4.060
  439   3HG1  VAL  52          HG13      VAL  52  -3.695  -6.822  -2.993
  440   1HG2  VAL  52          HG21      VAL  52  -1.743  -6.236  -5.825
  441   2HG2  VAL  52          HG22      VAL  52  -1.870  -7.798  -6.634
  442   3HG2  VAL  52          HG23      VAL  52  -3.178  -6.623  -6.774
  443    H    VAL  53           HN       VAL  53  -1.624 -10.774  -3.023
  444    HA   VAL  53           HA       VAL  53  -3.855 -10.533  -1.141
  445    HB   VAL  53           HB       VAL  53  -2.803 -13.282  -1.596
  446   1HG1  VAL  53          HG11      VAL  53  -5.456 -13.526  -1.379
  447   2HG1  VAL  53          HG12      VAL  53  -4.393 -13.373   0.022
  448   3HG1  VAL  53          HG13      VAL  53  -5.255 -11.961  -0.592
  449   1HG2  VAL  53          HG21      VAL  53  -4.787 -13.451  -3.333
  450   2HG2  VAL  53          HG22      VAL  53  -4.399 -11.748  -3.608
  451   3HG2  VAL  53          HG23      VAL  53  -3.165 -12.992  -3.850
  452    H    SER  54           HN       SER  54  -2.373 -13.101   0.015
  453    HA   SER  54           HA       SER  54  -1.200 -11.622   2.112
  454   1HB   SER  54          HB2       SER  54  -0.415 -14.419   2.026
  455   2HB   SER  54          HB3       SER  54  -1.428 -13.569   3.194
  456    HG   SER  54           HG       SER  54  -2.783 -14.984   2.228
  457    H    GLN  55           HN       GLN  55   0.097 -12.372  -0.883
  458    HA   GLN  55           HA       GLN  55   2.835 -12.669   0.070
  459   1HB   GLN  55          HB2       GLN  55   1.492 -13.643  -2.144
  460   2HB   GLN  55          HB3       GLN  55   2.485 -12.355  -2.811
  461   1HG   GLN  55          HG2       GLN  55   3.699 -14.369  -0.975
  462   2HG   GLN  55          HG3       GLN  55   3.412 -14.773  -2.667
  463   1HE2  GLN  55          HE21      GLN  55   5.613 -13.548  -0.533
  464   2HE2  GLN  55          HE22      GLN  55   6.631 -12.691  -1.640
  465    H    LEU  56           HN       LEU  56   0.742 -10.160  -0.706
  466    HA   LEU  56           HA       LEU  56   2.950  -8.423  -1.575
  467   1HB   LEU  56          HB2       LEU  56   0.404  -8.782  -2.643
  468   2HB   LEU  56          HB3       LEU  56   0.302  -7.257  -1.784
  469    HG   LEU  56           HG       LEU  56   2.613  -6.871  -3.127
  470   1HD1  LEU  56          HD11      LEU  56   1.053  -8.134  -5.291
  471   2HD1  LEU  56          HD12      LEU  56   2.797  -7.981  -5.080
  472   3HD1  LEU  56          HD13      LEU  56   1.909  -9.225  -4.200
  473   1HD2  LEU  56          HD21      LEU  56   1.460  -5.260  -4.239
  474   2HD2  LEU  56          HD22      LEU  56   0.162  -6.359  -4.707
  475   3HD2  LEU  56          HD23      LEU  56   0.209  -5.696  -3.072
  476    H    ARG  57           HN       ARG  57   3.749  -7.102  -0.105
  477    HA   ARG  57           HA       ARG  57   1.951  -6.084   1.994
  478   1HB   ARG  57          HB2       ARG  57   4.913  -6.685   2.113
  479   2HB   ARG  57          HB3       ARG  57   4.078  -5.731   3.328
  480   1HG   ARG  57          HG2       ARG  57   3.426  -8.583   2.612
  481   2HG   ARG  57          HG3       ARG  57   4.380  -8.067   4.006
  482   1HD   ARG  57          HD2       ARG  57   2.374  -8.194   5.040
  483   2HD   ARG  57          HD3       ARG  57   2.199  -6.567   4.385
  484    HE   ARG  57           HE       ARG  57   1.011  -7.668   2.476
  485   1HH1  ARG  57          HH12      ARG  57   1.134  -9.199   5.631
  486   2HH1  ARG  57          HH11      ARG  57  -0.355 -10.074   5.394
  487   1HH2  ARG  57          HH22      ARG  57  -0.927  -8.813   2.169
  488   2HH2  ARG  57          HH21      ARG  57  -1.532  -9.850   3.432
  489    H    ILE  58           HN       ILE  58   2.163  -3.853   2.519
  490    HA   ILE  58           HA       ILE  58   3.463  -2.320   0.367
  491    HB   ILE  58           HB       ILE  58   0.828  -1.671   1.700
  492   1HG1  ILE  58          HG12      ILE  58   0.663  -3.601   0.173
  493   2HG1  ILE  58          HG13      ILE  58  -0.204  -2.201  -0.448
  494   1HG2  ILE  58          HG21      ILE  58   2.590   0.081   0.572
  495   2HG2  ILE  58          HG22      ILE  58   1.528  -0.303  -0.784
  496   3HG2  ILE  58          HG23      ILE  58   0.850   0.333   0.714
  497   1HD1  ILE  58          HD11      ILE  58   0.836  -2.693  -2.356
  498   2HD1  ILE  58          HD12      ILE  58   2.223  -1.891  -1.619
  499   3HD1  ILE  58          HD13      ILE  58   2.082  -3.647  -1.548
  500    H    CYS  59           HN       CYS  59   4.778  -0.739   0.972
  501    HA   CYS  59           HA       CYS  59   5.453  -0.212   3.641
  502   1HB   CYS  59          HB2       CYS  59   5.924   1.709   1.368
  503   2HB   CYS  59          HB3       CYS  59   6.923   1.434   2.792
  504    H    SER  60           HN       SER  60   4.969   1.479   5.006
  505    HA   SER  60           HA       SER  60   2.436   2.723   4.773
  506   1HB   SER  60          HB2       SER  60   4.042   4.120   6.657
  507   2HB   SER  60          HB3       SER  60   2.819   2.891   6.981
  508    HG   SER  60           HG       SER  60   4.350   1.339   7.038
  509    H    ALA  61           HN       ALA  61   5.497   3.469   3.525
  510    HA   ALA  61           HA       ALA  61   5.334   6.313   3.482
  511   1HB   ALA  61          HB1       ALA  61   7.244   4.338   2.809
  512   2HB   ALA  61          HB2       ALA  61   7.010   5.361   1.391
  513   3HB   ALA  61          HB3       ALA  61   7.470   6.082   2.935
  514    H    HIS  62           HN       HIS  62   3.681   3.950   1.772
  515    HA   HIS  62           HA       HIS  62   3.438   5.449  -0.694
  516   1HB   HIS  62          HB2       HIS  62   2.130   2.902   0.280
  517   2HB   HIS  62          HB3       HIS  62   1.805   3.624  -1.295
  518    HD1  HIS  62           HD1      HIS  62   3.987   3.824  -2.921
  519    HD2  HIS  62           HD2      HIS  62   4.328   1.295   0.377
  520    HE1  HIS  62           HE1      HIS  62   6.035   2.372  -3.326
  521    H    PHE  63           HN       PHE  63   2.322   5.891   2.268
  522    HA   PHE  63           HA       PHE  63  -0.045   7.357   1.305
  523   1HB   PHE  63          HB2       PHE  63   0.373   6.376   4.143
  524   2HB   PHE  63          HB3       PHE  63  -1.078   7.108   3.474
  525    HD1  PHE  63           HD1      PHE  63   1.053   4.088   3.376
  526    HD2  PHE  63           HD2      PHE  63  -2.741   5.794   2.456
  527    HE1  PHE  63           HE1      PHE  63   0.177   1.851   2.865
  528    HE2  PHE  63           HE2      PHE  63  -3.618   3.555   1.940
  529    HZ   PHE  63           HZ       PHE  63  -2.161   1.583   2.144
  530    H    GLU  64           HN       GLU  64  -0.072   9.543   1.866
  531    HA   GLU  64           HA       GLU  64   2.433  10.712   2.439
  532   1HB   GLU  64          HB2       GLU  64  -0.121  11.620   1.579
  533   2HB   GLU  64          HB3       GLU  64   0.361  12.596   2.959
  534   1HG   GLU  64          HG2       GLU  64   1.777  12.252   0.337
  535   2HG   GLU  64          HG3       GLU  64   1.140  13.729   1.058
  536    H    GLY  65           HN       GLY  65   3.378  10.469   4.332
  537   1HA   GLY  65          HA1       GLY  65   3.568  11.325   6.586
  538   2HA   GLY  65          HA2       GLY  65   1.833  11.106   6.761
  539    H    GLY  66           HN       GLY  66   1.986   8.484   5.387
  540   1HA   GLY  66          HA1       GLY  66   2.557   6.272   5.861
  541   2HA   GLY  66          HA2       GLY  66   3.496   6.833   7.240
  542    H    GLU  67           HN       GLU  67   0.070   6.996   6.228
  543    HA   GLU  67           HA       GLU  67  -0.699   5.758   8.753
  544   1HB   GLU  67          HB2       GLU  67  -1.337   8.558   7.920
  545   2HB   GLU  67          HB3       GLU  67  -2.508   7.648   8.866
  546   1HG   GLU  67          HG2       GLU  67   0.211   7.546   9.924
  547   2HG   GLU  67          HG3       GLU  67  -0.491   9.164   9.885
  548    H    LYS  68           HN       LYS  68  -2.142   4.259   8.372
  549    HA   LYS  68           HA       LYS  68  -3.943   4.460   6.053
  550   1HB   LYS  68          HB2       LYS  68  -2.451   2.353   6.940
  551   2HB   LYS  68          HB3       LYS  68  -3.996   2.029   7.709
  552   1HG   LYS  68          HG2       LYS  68  -5.000   2.378   5.378
  553   2HG   LYS  68          HG3       LYS  68  -3.340   2.199   4.798
  554   1HD   LYS  68          HD2       LYS  68  -4.789   0.098   4.885
  555   2HD   LYS  68          HD3       LYS  68  -3.176   0.010   5.597
  556   1HE   LYS  68          HE2       LYS  68  -4.477  -0.997   7.220
  557   2HE   LYS  68          HE3       LYS  68  -4.381   0.665   7.794
  558   1HZ   LYS  68          HZ1       LYS  68  -6.592   0.621   7.851
  559   2HZ   LYS  68          HZ2       LYS  68  -6.676  -0.836   6.994
  560   3HZ   LYS  68          HZ3       LYS  68  -6.581   0.632   6.154
  561    H    LYS  69           HN       LYS  69  -5.664   5.708   6.689
  562    HA   LYS  69           HA       LYS  69  -6.686   5.277   9.417
  563   1HB   LYS  69          HB2       LYS  69  -6.081   7.634   7.936
  564   2HB   LYS  69          HB3       LYS  69  -7.809   7.615   8.263
  565   1HG   LYS  69          HG2       LYS  69  -7.267   8.516  10.227
  566   2HG   LYS  69          HG3       LYS  69  -6.753   6.890  10.680
  567   1HD   LYS  69          HD2       LYS  69  -4.490   7.363  10.131
  568   2HD   LYS  69          HD3       LYS  69  -4.931   8.885   9.351
  569   1HE   LYS  69          HE2       LYS  69  -4.386   9.822  11.312
  570   2HE   LYS  69          HE3       LYS  69  -5.950   9.220  11.861
  571   1HZ   LYS  69          HZ1       LYS  69  -3.965   8.678  13.295
  572   2HZ   LYS  69          HZ2       LYS  69  -3.468   7.611  12.074
  573   3HZ   LYS  69          HZ3       LYS  69  -4.949   7.365  12.865
  574    H    GLU  70           HN       GLU  70  -7.925   6.123   6.168
  575    HA   GLU  70           HA       GLU  70 -10.468   4.870   6.995
  576   1HB   GLU  70          HB2       GLU  70  -9.930   7.541   6.069
  577   2HB   GLU  70          HB3       GLU  70 -11.009   6.728   4.943
  578   1HG   GLU  70          HG2       GLU  70 -12.240   7.964   6.639
  579   2HG   GLU  70          HG3       GLU  70 -12.559   6.235   6.745
  580    H    GLY  71           HN       GLY  71 -10.436   6.121   3.854
  581   1HA   GLY  71          HA1       GLY  71 -10.194   3.404   2.751
  582   2HA   GLY  71          HA2       GLY  71 -11.041   4.745   1.988
  583    H    ASP  72           HN       ASP  72  -7.823   4.537   3.412
  584    HA   ASP  72           HA       ASP  72  -6.701   6.095   1.285
  585   1HB   ASP  72          HB2       ASP  72  -4.660   4.879   2.874
  586   2HB   ASP  72          HB3       ASP  72  -5.172   6.559   2.868
  587    H    ILE  73           HN       ILE  73  -6.072   5.320  -0.589
  588    HA   ILE  73           HA       ILE  73  -5.243   2.519  -0.822
  589    HB   ILE  73           HB       ILE  73  -5.946   4.592  -2.909
  590   1HG1  ILE  73          HG12      ILE  73  -7.337   1.995  -2.815
  591   2HG1  ILE  73          HG13      ILE  73  -7.593   3.025  -1.408
  592   1HG2  ILE  73          HG21      ILE  73  -4.241   2.343  -3.212
  593   2HG2  ILE  73          HG22      ILE  73  -5.755   1.998  -4.049
  594   3HG2  ILE  73          HG23      ILE  73  -4.836   3.449  -4.452
  595   1HD1  ILE  73          HD11      ILE  73  -8.241   4.854  -2.978
  596   2HD1  ILE  73          HD12      ILE  73  -8.184   3.666  -4.282
  597   3HD1  ILE  73          HD13      ILE  73  -9.330   3.465  -2.957
  598    HA   PRO  74           HA       PRO  74  -1.033   3.819  -0.762
  599   1HB   PRO  74          HB2       PRO  74   0.129   1.619  -1.819
  600   2HB   PRO  74          HB3       PRO  74  -0.560   1.634  -0.190
  601   1HG   PRO  74          HG2       PRO  74  -1.750   0.604  -2.742
  602   2HG   PRO  74          HG3       PRO  74  -1.750  -0.142  -1.131
  603   1HD   PRO  74          HD2       PRO  74  -3.874   1.208  -2.139
  604   2HD   PRO  74          HD3       PRO  74  -3.508   1.160  -0.406
  605    H    VAL  75           HN       VAL  75  -0.245   5.312  -2.135
  606    HA   VAL  75           HA       VAL  75  -0.581   4.861  -5.014
  607    HB   VAL  75           HB       VAL  75   0.071   7.308  -5.202
  608   1HG1  VAL  75          HG11      VAL  75  -2.123   7.859  -5.185
  609   2HG1  VAL  75          HG12      VAL  75  -2.322   6.124  -4.938
  610   3HG1  VAL  75          HG13      VAL  75  -2.386   7.222  -3.562
  611   1HG2  VAL  75          HG21      VAL  75   1.074   7.974  -3.251
  612   2HG2  VAL  75          HG22      VAL  75  -0.581   8.508  -2.945
  613   3HG2  VAL  75          HG23      VAL  75   0.007   6.997  -2.239
  614    HA   PRO  76           HA       PRO  76   3.633   4.101  -5.774
  615   1HB   PRO  76          HB2       PRO  76   4.148   5.575  -8.020
  616   2HB   PRO  76          HB3       PRO  76   3.243   4.059  -8.027
  617   1HG   PRO  76          HG2       PRO  76   2.244   6.870  -8.109
  618   2HG   PRO  76          HG3       PRO  76   1.642   5.441  -8.966
  619   1HD   PRO  76          HD2       PRO  76   0.441   6.472  -6.750
  620   2HD   PRO  76          HD3       PRO  76   0.397   4.740  -7.166
  621    H    ASP  77           HN       ASP  77   2.812   7.523  -6.022
  622    HA   ASP  77           HA       ASP  77   5.082   8.210  -4.341
  623   1HB   ASP  77          HB2       ASP  77   5.745   8.379  -6.828
  624   2HB   ASP  77          HB3       ASP  77   4.632   9.742  -6.902
  625    HA   PRO  78           HA       PRO  78   1.404  10.437  -2.954
  626   1HB   PRO  78          HB2       PRO  78   2.470  11.149  -0.542
  627   2HB   PRO  78          HB3       PRO  78   1.715   9.584  -0.855
  628   1HG   PRO  78          HG2       PRO  78   4.612  10.315  -0.798
  629   2HG   PRO  78          HG3       PRO  78   3.809   8.864  -0.168
  630   1HD   PRO  78          HD2       PRO  78   5.160   8.875  -2.513
  631   2HD   PRO  78          HD3       PRO  78   3.736   7.852  -2.238
  632    H    THR  79           HN       THR  79   4.541  11.500  -3.679
  633    HA   THR  79           HA       THR  79   3.847  14.306  -3.144
  634    HB   THR  79           HB       THR  79   6.512  14.159  -4.028
  635    HG1  THR  79           HG1      THR  79   6.395  11.873  -3.569
  636   1HG2  THR  79          HG21      THR  79   5.054  14.741  -1.522
  637   2HG2  THR  79          HG22      THR  79   6.218  15.723  -2.411
  638   3HG2  THR  79          HG23      THR  79   6.781  14.414  -1.371
  639    H    VAL  80           HN       VAL  80   3.671  12.127  -5.602
  640    HA   VAL  80           HA       VAL  80   4.028  14.221  -7.642
  641    HB   VAL  80           HB       VAL  80   5.029  11.374  -7.815
  642   1HG1  VAL  80          HG11      VAL  80   5.485  11.663 -10.107
  643   2HG1  VAL  80          HG12      VAL  80   3.824  12.218  -9.891
  644   3HG1  VAL  80          HG13      VAL  80   5.134  13.390 -10.043
  645   1HG2  VAL  80          HG21      VAL  80   6.871  12.378  -7.023
  646   2HG2  VAL  80          HG22      VAL  80   7.032  13.031  -8.655
  647   3HG2  VAL  80          HG23      VAL  80   6.265  13.994  -7.391
  648    H    ASP  81           HN       ASP  81   2.757  10.938  -7.088
  649    HA   ASP  81           HA       ASP  81   0.867  11.216  -9.257
  650   1HB   ASP  81          HB2       ASP  81   2.120   9.053  -8.264
  651   2HB   ASP  81          HB3       ASP  81   0.622   8.955  -7.339
  652    H    LYS  82           HN       LYS  82  -1.460  10.538  -8.786
  653    HA   LYS  82           HA       LYS  82  -2.458  12.407  -6.819
  654   1HB   LYS  82          HB2       LYS  82  -3.357  11.852  -9.251
  655   2HB   LYS  82          HB3       LYS  82  -4.267  10.623  -8.384
  656   1HG   LYS  82          HG2       LYS  82  -5.224  12.361  -6.942
  657   2HG   LYS  82          HG3       LYS  82  -4.331  13.585  -7.846
  658   1HD   LYS  82          HD2       LYS  82  -6.160  13.722  -9.134
  659   2HD   LYS  82          HD3       LYS  82  -5.622  12.191  -9.828
  660   1HE   LYS  82          HE2       LYS  82  -7.780  11.662  -9.244
  661   2HE   LYS  82          HE3       LYS  82  -6.913  11.164  -7.793
  662   1HZ   LYS  82          HZ1       LYS  82  -9.005  12.563  -7.508
  663   2HZ   LYS  82          HZ2       LYS  82  -8.068  13.874  -8.036
  664   3HZ   LYS  82          HZ3       LYS  82  -7.628  13.029  -6.630
  665    H    GLN  83           HN       GLN  83  -2.241  11.646  -4.809
  666    HA   GLN  83           HA       GLN  83  -2.506   9.120  -3.800
  667   1HB   GLN  83          HB2       GLN  83  -2.062  11.495  -2.670
  668   2HB   GLN  83          HB3       GLN  83  -3.757  11.328  -2.237
  669   1HG   GLN  83          HG2       GLN  83  -1.698   9.221  -1.642
  670   2HG   GLN  83          HG3       GLN  83  -2.100  10.530  -0.527
  671   1HE2  GLN  83          HE21      GLN  83  -2.684   7.393  -1.173
  672   2HE2  GLN  83          HE22      GLN  83  -4.272   7.240  -0.513
  673    H    ILE  84           HN       ILE  84  -4.079   7.674  -3.807
  674    HA   ILE  84           HA       ILE  84  -6.750   8.552  -4.544
  675    HB   ILE  84           HB       ILE  84  -5.973   5.666  -4.365
  676   1HG1  ILE  84          HG12      ILE  84  -5.706   6.948  -7.014
  677   2HG1  ILE  84          HG13      ILE  84  -4.441   7.352  -5.855
  678   1HG2  ILE  84          HG21      ILE  84  -8.110   5.547  -4.984
  679   2HG2  ILE  84          HG22      ILE  84  -8.168   7.252  -5.435
  680   3HG2  ILE  84          HG23      ILE  84  -7.547   6.059  -6.577
  681   1HD1  ILE  84          HD11      ILE  84  -4.839   4.561  -5.729
  682   2HD1  ILE  84          HD12      ILE  84  -4.738   5.012  -7.431
  683   3HD1  ILE  84          HD13      ILE  84  -3.435   5.445  -6.326
  684    H    LYS  85           HN       LYS  85  -8.358   8.593  -3.118
  685    HA   LYS  85           HA       LYS  85  -8.274   6.772  -0.841
  686   1HB   LYS  85          HB2       LYS  85  -8.422   8.374   0.789
  687   2HB   LYS  85          HB3       LYS  85  -7.458   9.258  -0.382
  688   1HG   LYS  85          HG2       LYS  85 -10.371   9.557  -0.659
  689   2HG   LYS  85          HG3       LYS  85  -9.667  10.227   0.813
  690   1HD   LYS  85          HD2       LYS  85  -8.627  11.885  -0.294
  691   2HD   LYS  85          HD3       LYS  85  -8.182  10.840  -1.644
  692   1HE   LYS  85          HE2       LYS  85 -10.011  11.389  -2.838
  693   2HE   LYS  85          HE3       LYS  85 -11.052  11.419  -1.415
  694   1HZ   LYS  85          HZ1       LYS  85  -9.234  13.568  -1.282
  695   2HZ   LYS  85          HZ2       LYS  85 -10.924  13.618  -1.386
  696   3HZ   LYS  85          HZ3       LYS  85  -9.990  13.589  -2.801
  697    H    ILE  86           HN       ILE  86 -10.211   5.935  -0.314
  698    HA   ILE  86           HA       ILE  86 -12.468   6.573  -2.043
  699    HB   ILE  86           HB       ILE  86 -12.375   4.492   0.140
  700   1HG1  ILE  86          HG12      ILE  86 -12.010   3.584  -2.630
  701   2HG1  ILE  86          HG13      ILE  86 -10.662   4.514  -1.986
  702   1HG2  ILE  86          HG21      ILE  86 -13.937   4.053  -2.310
  703   2HG2  ILE  86          HG22      ILE  86 -14.350   3.737  -0.623
  704   3HG2  ILE  86          HG23      ILE  86 -14.501   5.369  -1.278
  705   1HD1  ILE  86          HD11      ILE  86  -9.942   2.738  -0.898
  706   2HD1  ILE  86          HD12      ILE  86 -11.471   2.626  -0.026
  707   3HD1  ILE  86          HD13      ILE  86 -11.274   1.797  -1.570
  708    H    GLU  87           HN       GLU  87 -14.310   7.584  -1.397
  709    HA   GLU  87           HA       GLU  87 -14.273   8.954   1.124
  710   1HB   GLU  87          HB2       GLU  87 -16.437   9.897   0.421
  711   2HB   GLU  87          HB3       GLU  87 -15.215  10.079  -0.823
  712   1HG   GLU  87          HG2       GLU  87 -17.127   7.784  -0.895
  713   2HG   GLU  87          HG3       GLU  87 -17.600   9.378  -1.472
  714    H    LEU  88           HN       LEU  88 -14.795   8.047   2.961
  715    HA   LEU  88           HA       LEU  88 -16.380   5.612   2.976
  716   1HB   LEU  88          HB2       LEU  88 -14.325   5.658   4.283
  717   2HB   LEU  88          HB3       LEU  88 -14.900   7.049   5.181
  718    HG   LEU  88           HG       LEU  88 -16.892   5.199   5.613
  719   1HD1  LEU  88          HD11      LEU  88 -15.844   3.127   6.223
  720   2HD1  LEU  88          HD12      LEU  88 -15.465   3.475   4.537
  721   3HD1  LEU  88          HD13      LEU  88 -14.254   3.753   5.789
  722   1HD2  LEU  88          HD21      LEU  88 -14.661   6.382   7.104
  723   2HD2  LEU  88          HD22      LEU  88 -16.368   6.241   7.529
  724   3HD2  LEU  88          HD23      LEU  88 -15.282   4.875   7.782
  725    HA   PRO  89           HA       PRO  89 -20.080   7.894   4.083
  726   1HB   PRO  89          HB2       PRO  89 -21.116   5.186   4.626
  727   2HB   PRO  89          HB3       PRO  89 -21.721   6.414   3.509
  728   1HG   PRO  89          HG2       PRO  89 -20.501   4.192   2.633
  729   2HG   PRO  89          HG3       PRO  89 -20.313   5.752   1.808
  730   1HD   PRO  89          HD2       PRO  89 -18.433   4.355   3.674
  731   2HD   PRO  89          HD3       PRO  89 -18.081   5.254   2.183
  732    HA   PRO  90           HA       PRO  90 -19.073   8.269   8.390
  733   1HB   PRO  90          HB2       PRO  90 -21.734   9.127   8.977
  734   2HB   PRO  90          HB3       PRO  90 -20.289  10.119   8.792
  735   1HG   PRO  90          HG2       PRO  90 -22.436   9.535   6.849
  736   2HG   PRO  90          HG3       PRO  90 -21.348  10.931   6.943
  737   1HD   PRO  90          HD2       PRO  90 -21.084   9.048   5.043
  738   2HD   PRO  90          HD3       PRO  90 -19.675   9.863   5.754
  739    H    LYS  91           HN       LYS  91 -18.911   6.550   9.622
  740    HA   LYS  91           HA       LYS  91 -21.140   4.668   9.839
  741   1HB   LYS  91          HB2       LYS  91 -18.697   3.991   9.309
  742   2HB   LYS  91          HB3       LYS  91 -18.394   4.289  11.014
  743   1HG   LYS  91          HG2       LYS  91 -18.850   2.076  11.127
  744   2HG   LYS  91          HG3       LYS  91 -20.497   2.691  11.277
  745   1HD   LYS  91          HD2       LYS  91 -20.186   2.556   8.567
  746   2HD   LYS  91          HD3       LYS  91 -19.240   1.170   9.112
  747   1HE   LYS  91          HE2       LYS  91 -21.102   0.014   9.451
  748   2HE   LYS  91          HE3       LYS  91 -21.669   1.237  10.591
  749   1HZ   LYS  91          HZ1       LYS  91 -22.322   0.882   7.764
  750   2HZ   LYS  91          HZ2       LYS  91 -22.249   2.471   8.351
  751   3HZ   LYS  91          HZ3       LYS  91 -23.316   1.360   9.050
  Start of MODEL   20
    1   1H    GLY   1          H1        GLY   1  10.474 -10.195   9.174
    2   2H    GLY   1          H2        GLY   1  11.297 -10.719  10.561
    3   3H    GLY   1          H3        GLY   1   9.949  -9.700  10.709
    4   1HA   GLY   1          HA2       GLY   1   9.284 -11.905  11.286
    5   2HA   GLY   1          HA1       GLY   1   8.538 -11.457   9.759
    6    H    SER   2           HN       SER   2   8.642 -14.072  10.296
    7    HA   SER   2           HA       SER   2  11.012 -15.317   9.267
    8   1HB   SER   2          HB2       SER   2   8.516 -16.882   9.233
    9   2HB   SER   2          HB3       SER   2  10.064 -17.243   9.999
   10    HG   SER   2           HG       SER   2   9.502 -15.984  11.740
   11    H    MET   3           HN       MET   3   8.091 -14.040   7.945
   12    HA   MET   3           HA       MET   3   8.465 -15.365   5.375
   13   1HB   MET   3          HB2       MET   3   6.186 -15.161   6.087
   14   2HB   MET   3          HB3       MET   3   6.382 -13.451   6.437
   15   1HG   MET   3          HG2       MET   3   6.949 -13.350   3.861
   16   2HG   MET   3          HG3       MET   3   5.987 -14.828   3.839
   17   1HE   MET   3          HE1       MET   3   3.909 -15.170   4.173
   18   2HE   MET   3          HE2       MET   3   2.904 -14.250   5.293
   19   3HE   MET   3          HE3       MET   3   2.727 -14.017   3.551
   20    HA   PRO   4           HA       PRO   4  10.950 -12.037   3.743
   21   1HB   PRO   4          HB2       PRO   4   9.956 -12.956   1.121
   22   2HB   PRO   4          HB3       PRO   4  11.614 -12.855   1.717
   23   1HG   PRO   4          HG2       PRO   4  10.377 -15.211   1.399
   24   2HG   PRO   4          HG3       PRO   4  11.514 -14.930   2.730
   25   1HD   PRO   4          HD2       PRO   4   8.522 -14.959   2.762
   26   2HD   PRO   4          HD3       PRO   4   9.666 -15.608   3.956
   27    H    THR   5           HN       THR   5   9.557 -10.379   4.530
   28    HA   THR   5           HA       THR   5   7.146  -9.606   3.304
   29    HB   THR   5           HB       THR   5   8.578  -7.401   4.543
   30    HG1  THR   5           HG1      THR   5   8.267  -9.778   6.102
   31   1HG2  THR   5          HG21      THR   5   6.090  -8.995   5.139
   32   2HG2  THR   5          HG22      THR   5   6.209  -7.357   4.494
   33   3HG2  THR   5          HG23      THR   5   6.642  -7.678   6.173
   34    H    THR   6           HN       THR   6   7.020  -9.018   1.217
   35    HA   THR   6           HA       THR   6   9.041  -7.147   0.175
   36    HB   THR   6           HB       THR   6   7.935  -8.531  -2.017
   37    HG1  THR   6           HG1      THR   6   8.490 -10.192   0.205
   38   1HG2  THR   6          HG21      THR   6  10.223  -9.254  -2.388
   39   2HG2  THR   6          HG22      THR   6  10.635  -8.891  -0.712
   40   3HG2  THR   6          HG23      THR   6  10.214  -7.585  -1.818
   41    H    CYS   7           HN       CYS   7   8.313  -5.428  -0.969
   42    HA   CYS   7           HA       CYS   7   5.550  -4.752  -0.929
   43   1HB   CYS   7          HB2       CYS   7   7.524  -3.149  -0.889
   44   2HB   CYS   7          HB3       CYS   7   7.696  -3.460  -2.610
   45    H    GLY   8           HN       GLY   8   4.138  -4.545  -2.674
   46   1HA   GLY   8          HA1       GLY   8   4.782  -6.326  -4.930
   47   2HA   GLY   8          HA2       GLY   8   3.159  -5.941  -4.373
   48    H    PHE   9           HN       PHE   9   4.948  -3.162  -4.295
   49    HA   PHE   9           HA       PHE   9   3.521  -2.080  -6.532
   50   1HB   PHE   9          HB2       PHE   9   4.778  -1.049  -4.225
   51   2HB   PHE   9          HB3       PHE   9   5.591  -0.317  -5.606
   52    HD1  PHE   9           HD1      PHE   9   2.780  -0.185  -3.474
   53    HD2  PHE   9           HD2      PHE   9   4.081   0.694  -7.427
   54    HE1  PHE   9           HE1      PHE   9   0.907   1.380  -3.739
   55    HE2  PHE   9           HE2      PHE   9   2.210   2.262  -7.698
   56    HZ   PHE   9           HZ       PHE   9   0.622   2.609  -5.853
   57    HA   PRO  10           HA       PRO  10   6.622  -3.119  -9.526
   58   1HB   PRO  10          HB2       PRO  10   5.546  -1.731 -11.610
   59   2HB   PRO  10          HB3       PRO  10   4.943  -3.303 -11.076
   60   1HG   PRO  10          HG2       PRO  10   3.881  -0.569 -10.513
   61   2HG   PRO  10          HG3       PRO  10   2.998  -2.066 -10.856
   62   1HD   PRO  10          HD2       PRO  10   3.298  -1.053  -8.350
   63   2HD   PRO  10          HD3       PRO  10   3.131  -2.789  -8.677
   64    H    ASN  11           HN       ASN  11   5.620   0.092  -8.750
   65    HA   ASN  11           HA       ASN  11   8.233   1.114  -9.633
   66   1HB   ASN  11          HB2       ASN  11   6.488   3.312  -9.238
   67   2HB   ASN  11          HB3       ASN  11   7.181   2.744 -10.749
   68   1HD2  ASN  11          HD21      ASN  11   4.373   2.858  -8.755
   69   2HD2  ASN  11          HD22      ASN  11   3.264   2.183  -9.907
   70    H    CYS  12           HN       CYS  12   8.049  -0.133  -7.219
   71    HA   CYS  12           HA       CYS  12   7.698   1.880  -5.175
   72   1HB   CYS  12          HB2       CYS  12   7.087  -0.393  -4.607
   73   2HB   CYS  12          HB3       CYS  12   8.704  -0.966  -5.009
   74    H    LYS  13           HN       LYS  13   9.182   3.440  -5.436
   75    HA   LYS  13           HA       LYS  13  12.009   2.775  -5.495
   76   1HB   LYS  13          HB2       LYS  13  12.398   5.123  -5.714
   77   2HB   LYS  13          HB3       LYS  13  11.034   4.736  -6.753
   78   1HG   LYS  13          HG2       LYS  13  10.093   5.446  -4.142
   79   2HG   LYS  13          HG3       LYS  13  11.177   6.696  -4.755
   80   1HD   LYS  13          HD2       LYS  13   9.386   5.798  -6.824
   81   2HD   LYS  13          HD3       LYS  13   8.484   6.314  -5.399
   82   1HE   LYS  13          HE2       LYS  13  10.450   7.896  -7.033
   83   2HE   LYS  13          HE3       LYS  13   8.744   8.235  -6.754
   84   1HZ   LYS  13          HZ1       LYS  13  10.569   9.517  -5.453
   85   2HZ   LYS  13          HZ2       LYS  13  10.582   8.149  -4.458
   86   3HZ   LYS  13          HZ3       LYS  13   9.146   9.035  -4.661
   87    H    PHE  14           HN       PHE  14   9.810   2.518  -3.203
   88    HA   PHE  14           HA       PHE  14  10.969   4.263  -1.195
   89   1HB   PHE  14          HB2       PHE  14   8.444   2.667  -1.372
   90   2HB   PHE  14          HB3       PHE  14   9.005   3.280   0.184
   91    HD1  PHE  14           HD1      PHE  14   6.752   3.962  -2.226
   92    HD2  PHE  14           HD2      PHE  14   9.988   5.871  -0.231
   93    HE1  PHE  14           HE1      PHE  14   5.769   6.155  -2.741
   94    HE2  PHE  14           HE2      PHE  14   9.008   8.070  -0.740
   95    HZ   PHE  14           HZ       PHE  14   6.896   8.213  -1.998
   96    H    ARG  15           HN       ARG  15  10.479   0.755  -1.676
   97    HA   ARG  15           HA       ARG  15  11.773   0.071   0.766
   98   1HB   ARG  15          HB2       ARG  15  11.790  -2.168   0.003
   99   2HB   ARG  15          HB3       ARG  15  10.304  -1.457  -0.613
  100   1HG   ARG  15          HG2       ARG  15  11.402  -1.140  -2.797
  101   2HG   ARG  15          HG3       ARG  15  12.836  -1.949  -2.162
  102   1HD   ARG  15          HD2       ARG  15  11.878  -3.806  -2.981
  103   2HD   ARG  15          HD3       ARG  15  10.896  -3.730  -1.518
  104    HE   ARG  15           HE       ARG  15   9.378  -2.294  -3.090
  105   1HH1  ARG  15          HH12      ARG  15  11.166  -5.188  -3.894
  106   2HH1  ARG  15          HH11      ARG  15  10.050  -5.711  -5.114
  107   1HH2  ARG  15          HH22      ARG  15   7.883  -2.975  -4.688
  108   2HH2  ARG  15          HH21      ARG  15   8.164  -4.451  -5.551
  109    H    SER  16           HN       SER  16  12.887   1.177  -2.252
  110    HA   SER  16           HA       SER  16  15.652   0.457  -1.665
  111   1HB   SER  16          HB2       SER  16  14.832   2.155  -3.994
  112   2HB   SER  16          HB3       SER  16  16.135   0.967  -3.878
  113    HG   SER  16           HG       SER  16  14.089  -0.474  -3.492
  114    H    ARG  17           HN       ARG  17  13.511   2.783  -0.775
  115    HA   ARG  17           HA       ARG  17  15.303   5.056  -0.777
  116   1HB   ARG  17          HB2       ARG  17  12.809   5.289  -0.973
  117   2HB   ARG  17          HB3       ARG  17  12.670   4.716   0.682
  118   1HG   ARG  17          HG2       ARG  17  14.524   6.900   0.548
  119   2HG   ARG  17          HG3       ARG  17  12.990   7.347  -0.201
  120   1HD   ARG  17          HD2       ARG  17  12.225   7.735   1.854
  121   2HD   ARG  17          HD3       ARG  17  12.255   5.990   2.103
  122    HE   ARG  17           HE       ARG  17  14.244   6.205   3.315
  123   1HH1  ARG  17          HH12      ARG  17  13.116   9.306   2.136
  124   2HH1  ARG  17          HH11      ARG  17  14.185  10.222   3.152
  125   1HH2  ARG  17          HH22      ARG  17  15.630   7.389   4.658
  126   2HH2  ARG  17          HH21      ARG  17  15.636   9.130   4.583
  127    H    TYR  18           HN       TYR  18  14.023   2.681   1.496
  128    HA   TYR  18           HA       TYR  18  15.632   3.663   3.684
  129   1HB   TYR  18          HB2       TYR  18  14.600   0.897   3.847
  130   2HB   TYR  18          HB3       TYR  18  14.491   2.205   5.014
  131    HD1  TYR  18           HD1      TYR  18  12.537   0.053   3.343
  132    HD2  TYR  18           HD2      TYR  18  12.937   4.262   3.805
  133    HE1  TYR  18           HE1      TYR  18  10.164   0.330   2.782
  134    HE2  TYR  18           HE2      TYR  18  10.564   4.555   3.230
  135    HH   TYR  18           HH       TYR  18   8.570   1.806   2.215
  136    H    ARG  19           HN       ARG  19  17.575   2.855   4.367
  137    HA   ARG  19           HA       ARG  19  19.138   1.590   2.329
  138   1HB   ARG  19          HB2       ARG  19  19.759   2.528   5.122
  139   2HB   ARG  19          HB3       ARG  19  20.953   1.726   4.109
  140   1HG   ARG  19          HG2       ARG  19  19.501   4.061   2.990
  141   2HG   ARG  19          HG3       ARG  19  20.756   4.347   4.198
  142   1HD   ARG  19          HD2       ARG  19  22.371   3.146   2.838
  143   2HD   ARG  19          HD3       ARG  19  21.124   2.772   1.650
  144    HE   ARG  19           HE       ARG  19  21.299   4.902   0.815
  145   1HH1  ARG  19          HH12      ARG  19  23.090   4.668   3.812
  146   2HH1  ARG  19          HH11      ARG  19  23.810   6.243   3.665
  147   1HH2  ARG  19          HH22      ARG  19  22.219   6.974   0.604
  148   2HH2  ARG  19          HH21      ARG  19  23.272   7.580   1.856
  149    H    GLY  20           HN       GLY  20  19.907  -0.442   2.208
  150   1HA   GLY  20          HA1       GLY  20  20.666  -2.470   3.229
  151   2HA   GLY  20          HA2       GLY  20  19.496  -2.218   4.512
  152    H    LEU  21           HN       LEU  21  17.421  -1.512   2.443
  153    HA   LEU  21           HA       LEU  21  15.649  -2.560   1.520
  154   1HB   LEU  21          HB2       LEU  21  17.959  -3.709   0.273
  155   2HB   LEU  21          HB3       LEU  21  16.726  -4.943   0.451
  156    HG   LEU  21           HG       LEU  21  15.526  -2.532  -0.524
  157   1HD1  LEU  21          HD11      LEU  21  17.710  -1.962  -1.395
  158   2HD1  LEU  21          HD12      LEU  21  17.864  -3.561  -2.124
  159   3HD1  LEU  21          HD13      LEU  21  16.639  -2.437  -2.714
  160   1HD2  LEU  21          HD21      LEU  21  15.751  -5.394  -1.249
  161   2HD2  LEU  21          HD22      LEU  21  14.320  -4.387  -1.033
  162   3HD2  LEU  21          HD23      LEU  21  15.258  -4.278  -2.522
  163    H    GLU  22           HN       GLU  22  16.106  -3.001   4.175
  164    HA   GLU  22           HA       GLU  22  15.120  -5.736   4.583
  165   1HB   GLU  22          HB2       GLU  22  17.153  -5.046   5.883
  166   2HB   GLU  22          HB3       GLU  22  16.179  -3.800   6.649
  167   1HG   GLU  22          HG2       GLU  22  14.852  -5.381   7.771
  168   2HG   GLU  22          HG3       GLU  22  15.466  -6.710   6.788
  169    H    ASP  23           HN       ASP  23  14.223  -2.705   4.079
  170    HA   ASP  23           HA       ASP  23  12.550  -1.274   4.657
  171   1HB   ASP  23          HB2       ASP  23  11.017  -3.848   4.289
  172   2HB   ASP  23          HB3       ASP  23  10.360  -2.214   4.134
  173    H    ASN  24           HN       ASN  24  13.493  -1.213   6.865
  174    HA   ASN  24           HA       ASN  24  12.025  -2.464   8.991
  175   1HB   ASN  24          HB2       ASN  24  13.365  -0.683  10.362
  176   2HB   ASN  24          HB3       ASN  24  14.226  -2.024   9.617
  177   1HD2  ASN  24          HD21      ASN  24  16.120  -1.321   8.954
  178   2HD2  ASN  24          HD22      ASN  24  16.409   0.159   8.098
  179    H    ARG  25           HN       ARG  25  10.321  -1.158   7.275
  180    HA   ARG  25           HA       ARG  25   9.412   1.202   8.774
  181   1HB   ARG  25          HB2       ARG  25   9.420   0.467   5.937
  182   2HB   ARG  25          HB3       ARG  25   7.832   0.975   6.490
  183   1HG   ARG  25          HG2       ARG  25   9.436   2.899   7.568
  184   2HG   ARG  25          HG3       ARG  25  10.255   2.542   6.046
  185   1HD   ARG  25          HD2       ARG  25   8.795   4.055   5.220
  186   2HD   ARG  25          HD3       ARG  25   7.704   2.671   5.188
  187    HE   ARG  25           HE       ARG  25   7.139   3.561   7.581
  188   1HH1  ARG  25          HH12      ARG  25   7.804   5.481   4.732
  189   2HH1  ARG  25          HH11      ARG  25   6.769   6.785   5.212
  190   1HH2  ARG  25          HH22      ARG  25   5.752   5.246   8.210
  191   2HH2  ARG  25          HH21      ARG  25   5.587   6.660   7.205
  192    H    HIS  26           HN       HIS  26   6.719   1.087   7.951
  193    HA   HIS  26           HA       HIS  26   5.810  -1.313   9.368
  194   1HB   HIS  26          HB2       HIS  26   4.880   1.444   9.265
  195   2HB   HIS  26          HB3       HIS  26   3.591   0.298   8.928
  196    HD2  HIS  26           HD2      HIS  26   5.051   1.974  11.862
  197    HE1  HIS  26           HE1      HIS  26   3.608  -1.730  13.309
  198    HE2  HIS  26           HE2      HIS  26   4.632   0.492  13.961
  199    H    PHE  27           HN       PHE  27   5.592  -2.910   7.924
  200    HA   PHE  27           HA       PHE  27   4.795  -2.357   5.207
  201   1HB   PHE  27          HB2       PHE  27   6.020  -4.575   6.620
  202   2HB   PHE  27          HB3       PHE  27   4.712  -5.131   5.578
  203    HD1  PHE  27           HD1      PHE  27   4.852  -3.336   3.313
  204    HD2  PHE  27           HD2      PHE  27   7.991  -5.104   5.572
  205    HE1  PHE  27           HE1      PHE  27   6.340  -3.172   1.362
  206    HE2  PHE  27           HE2      PHE  27   9.487  -4.940   3.631
  207    HZ   PHE  27           HZ       PHE  27   8.664  -3.975   1.519
  208    H    TYR  28           HN       TYR  28   2.785  -2.072   4.650
  209    HA   TYR  28           HA       TYR  28   0.676  -2.636   6.513
  210   1HB   TYR  28          HB2       TYR  28   0.944  -1.155   3.940
  211   2HB   TYR  28          HB3       TYR  28  -0.663  -1.670   4.435
  212    HD1  TYR  28           HD1      TYR  28  -0.283  -1.315   7.437
  213    HD2  TYR  28           HD2      TYR  28   0.694   1.174   4.132
  214    HE1  TYR  28           HE1      TYR  28  -0.500   0.670   8.873
  215    HE2  TYR  28           HE2      TYR  28   0.483   3.163   5.559
  216    HH   TYR  28           HH       TYR  28   0.521   3.151   8.775
  217    H    ARG  29           HN       ARG  29  -0.783  -4.182   6.461
  218    HA   ARG  29           HA       ARG  29  -0.658  -6.221   4.392
  219   1HB   ARG  29          HB2       ARG  29  -2.073  -5.950   7.033
  220   2HB   ARG  29          HB3       ARG  29  -2.589  -7.171   5.879
  221   1HG   ARG  29          HG2       ARG  29  -1.108  -8.230   7.388
  222   2HG   ARG  29          HG3       ARG  29  -0.228  -8.025   5.872
  223   1HD   ARG  29          HD2       ARG  29   1.371  -7.262   7.291
  224   2HD   ARG  29          HD3       ARG  29   0.489  -5.753   7.059
  225    HE   ARG  29           HE       ARG  29  -0.559  -7.223   9.251
  226   1HH1  ARG  29          HH12      ARG  29   2.107  -5.151   8.317
  227   2HH1  ARG  29          HH11      ARG  29   2.450  -4.647   9.943
  228   1HH2  ARG  29          HH22      ARG  29  -0.143  -6.518  11.388
  229   2HH2  ARG  29          HH21      ARG  29   1.151  -5.385  11.680
  230    H    ILE  30           HN       ILE  30  -2.146  -6.442   2.780
  231    HA   ILE  30           HA       ILE  30  -3.707  -4.225   2.045
  232    HB   ILE  30           HB       ILE  30  -4.036  -7.048   1.021
  233   1HG1  ILE  30          HG12      ILE  30  -2.524  -5.659  -0.825
  234   2HG1  ILE  30          HG13      ILE  30  -1.864  -5.107   0.710
  235   1HG2  ILE  30          HG21      ILE  30  -4.627  -5.699  -1.094
  236   2HG2  ILE  30          HG22      ILE  30  -5.827  -5.820   0.193
  237   3HG2  ILE  30          HG23      ILE  30  -4.866  -4.351   0.019
  238   1HD1  ILE  30          HD11      ILE  30  -2.260  -8.019   0.314
  239   2HD1  ILE  30          HD12      ILE  30  -0.917  -7.224  -0.507
  240   3HD1  ILE  30          HD13      ILE  30  -1.039  -7.159   1.251
  241    HA   PRO  31           HA       PRO  31  -7.060  -4.985   4.924
  242   1HB   PRO  31          HB2       PRO  31  -8.156  -2.679   3.388
  243   2HB   PRO  31          HB3       PRO  31  -7.982  -2.892   5.140
  244   1HG   PRO  31          HG2       PRO  31  -6.317  -1.278   3.874
  245   2HG   PRO  31          HG3       PRO  31  -5.682  -2.417   5.082
  246   1HD   PRO  31          HD2       PRO  31  -5.704  -2.684   2.086
  247   2HD   PRO  31          HD3       PRO  31  -4.362  -2.943   3.225
  248    H    LYS  32           HN       LYS  32  -8.702  -6.311   4.718
  249    HA   LYS  32           HA       LYS  32  -9.953  -6.653   2.072
  250   1HB   LYS  32          HB2       LYS  32  -8.862  -8.563   3.612
  251   2HB   LYS  32          HB3       LYS  32 -10.476  -8.559   4.305
  252   1HG   LYS  32          HG2       LYS  32 -11.279  -8.773   1.861
  253   2HG   LYS  32          HG3       LYS  32  -9.618  -9.272   1.532
  254   1HD   LYS  32          HD2       LYS  32 -10.281 -11.333   2.095
  255   2HD   LYS  32          HD3       LYS  32 -10.293 -10.750   3.759
  256   1HE   LYS  32          HE2       LYS  32 -12.519 -10.850   3.882
  257   2HE   LYS  32          HE3       LYS  32 -12.719 -10.047   2.324
  258   1HZ   LYS  32          HZ1       LYS  32 -12.311 -12.166   1.226
  259   2HZ   LYS  32          HZ2       LYS  32 -13.636 -12.278   2.281
  260   3HZ   LYS  32          HZ3       LYS  32 -12.131 -12.933   2.730
  261    H    ARG  33           HN       ARG  33 -10.430  -4.692   4.374
  262    HA   ARG  33           HA       ARG  33 -13.337  -5.022   4.511
  263   1HB   ARG  33          HB2       ARG  33 -11.444  -5.205   6.717
  264   2HB   ARG  33          HB3       ARG  33 -12.659  -3.962   6.987
  265   1HG   ARG  33          HG2       ARG  33 -13.496  -6.683   6.090
  266   2HG   ARG  33          HG3       ARG  33 -13.086  -6.398   7.784
  267   1HD   ARG  33          HD2       ARG  33 -15.018  -4.629   6.322
  268   2HD   ARG  33          HD3       ARG  33 -15.541  -6.143   7.059
  269    HE   ARG  33           HE       ARG  33 -14.386  -3.858   8.518
  270   1HH1  ARG  33          HH12      ARG  33 -16.358  -6.744   8.410
  271   2HH1  ARG  33          HH11      ARG  33 -16.955  -6.550  10.034
  272   1HH2  ARG  33          HH22      ARG  33 -15.116  -3.617  10.657
  273   2HH2  ARG  33          HH21      ARG  33 -16.218  -4.786  11.330
  274    HA   PRO  34           HA       PRO  34 -14.589  -4.333   3.573
  275   1HB   PRO  34          HB2       PRO  34 -15.841  -2.861   1.723
  276   2HB   PRO  34          HB3       PRO  34 -16.182  -2.655   3.446
  277   1HG   PRO  34          HG2       PRO  34 -14.500  -0.981   1.633
  278   2HG   PRO  34          HG3       PRO  34 -15.597  -0.476   2.929
  279   1HD   PRO  34          HD2       PRO  34 -12.844  -0.680   3.163
  280   2HD   PRO  34          HD3       PRO  34 -13.985  -0.691   4.520
  281    H    LEU  35           HN       LEU  35 -15.096  -5.103   1.275
  282    HA   LEU  35           HA       LEU  35 -12.676  -5.753  -0.037
  283   1HB   LEU  35          HB2       LEU  35 -15.327  -6.632  -0.096
  284   2HB   LEU  35          HB3       LEU  35 -15.012  -6.063  -1.723
  285    HG   LEU  35           HG       LEU  35 -14.607  -8.512  -1.338
  286   1HD1  LEU  35          HD11      LEU  35 -13.438  -6.883  -3.057
  287   2HD1  LEU  35          HD12      LEU  35 -12.005  -7.326  -2.128
  288   3HD1  LEU  35          HD13      LEU  35 -12.966  -8.577  -2.913
  289   1HD2  LEU  35          HD21      LEU  35 -12.997  -7.458   0.784
  290   2HD2  LEU  35          HD22      LEU  35 -13.428  -9.132   0.434
  291   3HD2  LEU  35          HD23      LEU  35 -12.000  -8.413  -0.312
  292    H    ILE  36           HN       ILE  36 -15.150  -3.318  -0.677
  293    HA   ILE  36           HA       ILE  36 -14.265  -2.515  -3.224
  294    HB   ILE  36           HB       ILE  36 -15.691  -0.978  -1.054
  295   1HG1  ILE  36          HG12      ILE  36 -17.090  -2.668  -1.963
  296   2HG1  ILE  36          HG13      ILE  36 -17.574  -1.170  -2.752
  297   1HG2  ILE  36          HG21      ILE  36 -15.074   0.895  -2.110
  298   2HG2  ILE  36          HG22      ILE  36 -14.478   0.014  -3.516
  299   3HG2  ILE  36          HG23      ILE  36 -16.195   0.390  -3.373
  300   1HD1  ILE  36          HD11      ILE  36 -17.526  -2.757  -4.461
  301   2HD1  ILE  36          HD12      ILE  36 -16.009  -1.876  -4.644
  302   3HD1  ILE  36          HD13      ILE  36 -16.018  -3.466  -3.885
  303    H    LEU  37           HN       LEU  37 -13.184  -1.637   0.008
  304    HA   LEU  37           HA       LEU  37 -11.420   0.439  -0.788
  305   1HB   LEU  37          HB2       LEU  37 -12.042   0.410   1.479
  306   2HB   LEU  37          HB3       LEU  37 -11.657  -1.289   1.658
  307    HG   LEU  37           HG       LEU  37  -9.212  -0.194   1.027
  308   1HD1  LEU  37          HD11      LEU  37  -9.261   1.627   2.966
  309   2HD1  LEU  37          HD12      LEU  37  -9.532   2.039   1.271
  310   3HD1  LEU  37          HD13      LEU  37 -10.905   1.834   2.362
  311   1HD2  LEU  37          HD21      LEU  37  -9.383  -1.829   2.685
  312   2HD2  LEU  37          HD22      LEU  37  -8.860  -0.381   3.548
  313   3HD2  LEU  37          HD23      LEU  37 -10.547  -0.887   3.617
  314    H    ARG  38           HN       ARG  38 -11.033  -3.039  -0.272
  315    HA   ARG  38           HA       ARG  38  -8.281  -3.202  -0.841
  316   1HB   ARG  38          HB2       ARG  38  -9.323  -5.081   0.171
  317   2HB   ARG  38          HB3       ARG  38 -10.542  -5.190  -1.087
  318   1HG   ARG  38          HG2       ARG  38  -8.926  -6.003  -2.656
  319   2HG   ARG  38          HG3       ARG  38  -7.613  -5.687  -1.520
  320   1HD   ARG  38          HD2       ARG  38  -7.872  -7.689  -0.608
  321   2HD   ARG  38          HD3       ARG  38  -9.557  -7.326  -0.241
  322    HE   ARG  38           HE       ARG  38  -9.567  -8.004  -2.893
  323   1HH1  ARG  38          HH12      ARG  38  -8.492  -9.577   0.046
  324   2HH1  ARG  38          HH11      ARG  38  -8.790 -11.179  -0.553
  325   1HH2  ARG  38          HH22      ARG  38  -9.959 -10.102  -3.678
  326   2HH2  ARG  38          HH21      ARG  38  -9.613 -11.484  -2.663
  327    H    GLN  39           HN       GLN  39 -11.140  -3.390  -2.904
  328    HA   GLN  39           HA       GLN  39  -9.969  -3.921  -5.363
  329   1HB   GLN  39          HB2       GLN  39 -12.493  -3.338  -4.479
  330   2HB   GLN  39          HB3       GLN  39 -12.111  -1.904  -5.418
  331   1HG   GLN  39          HG2       GLN  39 -12.273  -2.980  -7.361
  332   2HG   GLN  39          HG3       GLN  39 -11.457  -4.418  -6.751
  333   1HE2  GLN  39          HE21      GLN  39 -12.672  -6.055  -5.815
  334   2HE2  GLN  39          HE22      GLN  39 -14.393  -6.142  -5.975
  335    H    ARG  40           HN       ARG  40 -10.571  -0.783  -3.826
  336    HA   ARG  40           HA       ARG  40  -9.376   0.750  -5.897
  337   1HB   ARG  40          HB2       ARG  40 -10.175   1.339  -3.058
  338   2HB   ARG  40          HB3       ARG  40  -9.338   2.535  -4.036
  339   1HG   ARG  40          HG2       ARG  40 -11.850   1.214  -4.987
  340   2HG   ARG  40          HG3       ARG  40 -11.874   2.618  -3.917
  341   1HD   ARG  40          HD2       ARG  40 -10.093   3.383  -5.853
  342   2HD   ARG  40          HD3       ARG  40 -11.262   2.437  -6.772
  343    HE   ARG  40           HE       ARG  40 -12.768   4.132  -5.206
  344   1HH1  ARG  40          HH12      ARG  40 -10.336   4.453  -7.710
  345   2HH1  ARG  40          HH11      ARG  40 -10.884   6.016  -8.226
  346   1HH2  ARG  40          HH22      ARG  40 -13.508   6.197  -5.895
  347   2HH2  ARG  40          HH21      ARG  40 -12.701   6.993  -7.219
  348    H    TRP  41           HN       TRP  41  -8.188  -0.729  -2.956
  349    HA   TRP  41           HA       TRP  41  -5.676   0.504  -2.778
  350   1HB   TRP  41          HB2       TRP  41  -7.001  -1.833  -1.655
  351   2HB   TRP  41          HB3       TRP  41  -5.289  -2.129  -1.936
  352    HD1  TRP  41           HD1      TRP  41  -7.327   0.805  -0.385
  353    HE1  TRP  41           HE1      TRP  41  -6.091   1.550   1.751
  354    HE3  TRP  41           HE3      TRP  41  -3.391  -2.470  -0.536
  355    HZ2  TRP  41           HZ2      TRP  41  -3.762   0.829   3.181
  356    HZ3  TRP  41           HZ3      TRP  41  -1.707  -2.371   1.248
  357    HH2  TRP  41           HH2      TRP  41  -1.886  -0.748   3.060
  358    H    LEU  42           HN       LEU  42  -6.727  -2.380  -4.547
  359    HA   LEU  42           HA       LEU  42  -4.149  -3.014  -5.576
  360   1HB   LEU  42          HB2       LEU  42  -6.803  -3.829  -6.744
  361   2HB   LEU  42          HB3       LEU  42  -5.262  -4.640  -6.935
  362    HG   LEU  42           HG       LEU  42  -6.908  -4.477  -4.412
  363   1HD1  LEU  42          HD11      LEU  42  -7.904  -6.130  -5.647
  364   2HD1  LEU  42          HD12      LEU  42  -6.408  -6.572  -6.468
  365   3HD1  LEU  42          HD13      LEU  42  -6.668  -7.052  -4.792
  366   1HD2  LEU  42          HD21      LEU  42  -5.003  -6.264  -3.830
  367   2HD2  LEU  42          HD22      LEU  42  -4.082  -5.188  -4.881
  368   3HD2  LEU  42          HD23      LEU  42  -4.870  -4.549  -3.439
  369    H    THR  43           HN       THR  43  -6.473  -0.697  -6.430
  370    HA   THR  43           HA       THR  43  -6.314  -0.578  -9.200
  371    HB   THR  43           HB       THR  43  -6.925   1.480  -7.102
  372    HG1  THR  43           HG1      THR  43  -8.436  -0.235  -7.763
  373   1HG2  THR  43          HG21      THR  43  -7.768   2.466  -9.618
  374   2HG2  THR  43          HG22      THR  43  -6.050   2.094  -9.752
  375   3HG2  THR  43          HG23      THR  43  -6.620   3.192  -8.491
  376    H    ALA  44           HN       ALA  44  -4.234   0.991  -6.778
  377    HA   ALA  44           HA       ALA  44  -2.820   2.513  -8.757
  378   1HB   ALA  44          HB1       ALA  44  -2.973   3.509  -6.635
  379   2HB   ALA  44          HB2       ALA  44  -2.378   2.060  -5.824
  380   3HB   ALA  44          HB3       ALA  44  -1.285   3.027  -6.815
  381    H    ILE  45           HN       ILE  45  -2.273  -0.538  -7.101
  382    HA   ILE  45           HA       ILE  45   0.443  -0.778  -8.021
  383    HB   ILE  45           HB       ILE  45  -0.556  -3.348  -7.357
  384   1HG1  ILE  45          HG12      ILE  45  -1.300  -1.278  -5.278
  385   2HG1  ILE  45          HG13      ILE  45  -2.461  -2.115  -6.301
  386   1HG2  ILE  45          HG21      ILE  45   0.967  -1.685  -5.420
  387   2HG2  ILE  45          HG22      ILE  45   1.200  -3.367  -5.897
  388   3HG2  ILE  45          HG23      ILE  45   1.692  -2.066  -6.982
  389   1HD1  ILE  45          HD11      ILE  45  -2.181  -3.014  -3.974
  390   2HD1  ILE  45          HD12      ILE  45  -2.008  -4.190  -5.275
  391   3HD1  ILE  45          HD13      ILE  45  -0.577  -3.559  -4.462
  392    H    GLY  46           HN       GLY  46  -2.675  -1.463  -9.252
  393   1HA   GLY  46          HA1       GLY  46  -3.334  -2.226 -11.318
  394   2HA   GLY  46          HA2       GLY  46  -1.640  -2.243 -11.791
  395    H    ARG  47           HN       ARG  47  -2.576  -3.949  -8.959
  396    HA   ARG  47           HA       ARG  47  -1.984  -6.470 -10.332
  397   1HB   ARG  47          HB2       ARG  47  -1.489  -5.411  -7.641
  398   2HB   ARG  47          HB3       ARG  47  -2.109  -7.058  -7.644
  399   1HG   ARG  47          HG2       ARG  47  -0.296  -7.831  -8.957
  400   2HG   ARG  47          HG3       ARG  47   0.246  -6.186  -9.295
  401   1HD   ARG  47          HD2       ARG  47   1.309  -5.996  -7.325
  402   2HD   ARG  47          HD3       ARG  47   0.044  -6.853  -6.447
  403    HE   ARG  47           HE       ARG  47   1.148  -8.855  -6.810
  404   1HH1  ARG  47          HH12      ARG  47   2.705  -6.253  -8.559
  405   2HH1  ARG  47          HH11      ARG  47   4.140  -7.162  -8.898
  406   1HH2  ARG  47          HH22      ARG  47   3.050 -10.070  -7.270
  407   2HH2  ARG  47          HH21      ARG  47   4.331  -9.321  -8.187
  408    H    THR  48           HN       THR  48  -3.197  -8.406  -9.356
  409    HA   THR  48           HA       THR  48  -6.029  -7.656  -9.064
  410    HB   THR  48           HB       THR  48  -5.512 -10.396  -9.969
  411    HG1  THR  48           HG1      THR  48  -4.101  -8.415 -11.106
  412   1HG2  THR  48          HG21      THR  48  -7.090  -9.212 -11.839
  413   2HG2  THR  48          HG22      THR  48  -7.396  -8.180 -10.440
  414   3HG2  THR  48          HG23      THR  48  -7.691  -9.917 -10.335
  415    H    GLU  49           HN       GLU  49  -7.109 -10.002  -8.239
  416    HA   GLU  49           HA       GLU  49  -6.462  -9.829  -5.469
  417   1HB   GLU  49          HB2       GLU  49  -8.266 -11.949  -6.571
  418   2HB   GLU  49          HB3       GLU  49  -8.418 -11.016  -5.087
  419   1HG   GLU  49          HG2       GLU  49  -8.574  -9.102  -7.065
  420   2HG   GLU  49          HG3       GLU  49  -9.447 -10.476  -7.744
  421    H    GLU  50           HN       GLU  50  -5.709 -12.114  -8.009
  422    HA   GLU  50           HA       GLU  50  -4.744 -14.088  -6.093
  423   1HB   GLU  50          HB2       GLU  50  -4.140 -14.480  -8.957
  424   2HB   GLU  50          HB3       GLU  50  -4.799 -15.603  -7.778
  425   1HG   GLU  50          HG2       GLU  50  -6.614 -15.383  -9.106
  426   2HG   GLU  50          HG3       GLU  50  -6.917 -14.027  -8.017
  427    H    THR  51           HN       THR  51  -3.542 -11.310  -7.411
  428    HA   THR  51           HA       THR  51  -0.765 -12.289  -7.346
  429    HB   THR  51           HB       THR  51  -0.664  -9.692  -8.293
  430    HG1  THR  51           HG1      THR  51  -2.733 -10.924  -9.782
  431   1HG2  THR  51          HG21      THR  51  -0.700 -12.365  -9.664
  432   2HG2  THR  51          HG22      THR  51   0.681 -11.337  -9.289
  433   3HG2  THR  51          HG23      THR  51  -0.443 -10.871 -10.564
  434    H    VAL  52           HN       VAL  52  -2.755 -11.354  -5.187
  435    HA   VAL  52           HA       VAL  52  -0.922  -9.621  -3.734
  436    HB   VAL  52           HB       VAL  52  -2.658  -8.275  -5.132
  437   1HG1  VAL  52          HG11      VAL  52  -4.428  -9.863  -3.667
  438   2HG1  VAL  52          HG12      VAL  52  -4.564  -8.240  -2.988
  439   3HG1  VAL  52          HG13      VAL  52  -4.818  -8.495  -4.713
  440   1HG2  VAL  52          HG21      VAL  52  -2.708  -7.512  -2.253
  441   2HG2  VAL  52          HG22      VAL  52  -1.171  -7.565  -3.114
  442   3HG2  VAL  52          HG23      VAL  52  -2.463  -6.508  -3.683
  443    H    VAL  53           HN       VAL  53  -1.804  -9.236  -1.476
  444    HA   VAL  53           HA       VAL  53  -2.860  -9.824   0.443
  445    HB   VAL  53           HB       VAL  53  -4.264 -11.896  -1.246
  446   1HG1  VAL  53          HG11      VAL  53  -3.983 -12.729   1.057
  447   2HG1  VAL  53          HG12      VAL  53  -4.751 -11.261   1.666
  448   3HG1  VAL  53          HG13      VAL  53  -5.670 -12.390   0.668
  449   1HG2  VAL  53          HG21      VAL  53  -4.813  -9.132  -0.448
  450   2HG2  VAL  53          HG22      VAL  53  -5.448 -10.075  -1.798
  451   3HG2  VAL  53          HG23      VAL  53  -6.159 -10.243  -0.192
  452    H    SER  54           HN       SER  54  -1.754 -12.621  -1.470
  453    HA   SER  54           HA       SER  54  -1.381 -14.445   0.560
  454   1HB   SER  54          HB2       SER  54   0.680 -15.022  -1.183
  455   2HB   SER  54          HB3       SER  54  -0.992 -15.560  -1.352
  456    HG   SER  54           HG       SER  54   0.041 -14.393  -3.194
  457    H    GLN  55           HN       GLN  55   1.535 -13.136  -0.957
  458    HA   GLN  55           HA       GLN  55   2.672 -12.795   1.746
  459   1HB   GLN  55          HB2       GLN  55   4.856 -13.376   0.790
  460   2HB   GLN  55          HB3       GLN  55   3.694 -14.676   0.546
  461   1HG   GLN  55          HG2       GLN  55   3.921 -14.576  -1.656
  462   2HG   GLN  55          HG3       GLN  55   3.695 -12.828  -1.676
  463   1HE2  GLN  55          HE21      GLN  55   5.866 -12.052  -0.137
  464   2HE2  GLN  55          HE22      GLN  55   7.318 -12.416  -1.003
  465    H    LEU  56           HN       LEU  56   1.355 -11.023  -0.449
  466    HA   LEU  56           HA       LEU  56   3.487  -9.162  -1.067
  467   1HB   LEU  56          HB2       LEU  56   1.287  -9.903  -2.437
  468   2HB   LEU  56          HB3       LEU  56   0.671  -8.462  -1.647
  469    HG   LEU  56           HG       LEU  56   3.019  -7.521  -2.621
  470   1HD1  LEU  56          HD11      LEU  56   2.394  -8.669  -5.114
  471   2HD1  LEU  56          HD12      LEU  56   3.880  -8.837  -4.177
  472   3HD1  LEU  56          HD13      LEU  56   2.568  -9.996  -3.965
  473   1HD2  LEU  56          HD21      LEU  56   1.315  -6.155  -3.157
  474   2HD2  LEU  56          HD22      LEU  56   1.367  -7.005  -4.701
  475   3HD2  LEU  56          HD23      LEU  56   0.204  -7.488  -3.467
  476    H    ARG  57           HN       ARG  57   3.764  -7.175  -0.198
  477    HA   ARG  57           HA       ARG  57   1.792  -6.187   1.738
  478   1HB   ARG  57          HB2       ARG  57   4.786  -6.288   2.180
  479   2HB   ARG  57          HB3       ARG  57   3.637  -5.479   3.233
  480   1HG   ARG  57          HG2       ARG  57   3.692  -8.435   2.669
  481   2HG   ARG  57          HG3       ARG  57   4.345  -7.652   4.108
  482   1HD   ARG  57          HD2       ARG  57   2.076  -6.776   4.594
  483   2HD   ARG  57          HD3       ARG  57   1.464  -7.702   3.224
  484    HE   ARG  57           HE       ARG  57   2.540  -8.814   5.732
  485   1HH1  ARG  57          HH12      ARG  57   0.835  -9.248   2.691
  486   2HH1  ARG  57          HH11      ARG  57   0.242 -10.827   3.106
  487   1HH2  ARG  57          HH22      ARG  57   1.775 -10.911   6.262
  488   2HH2  ARG  57          HH21      ARG  57   0.779 -11.776   5.121
  489    H    ILE  58           HN       ILE  58   2.258  -3.820   2.242
  490    HA   ILE  58           HA       ILE  58   3.505  -2.470  -0.055
  491    HB   ILE  58           HB       ILE  58   0.920  -1.587   1.247
  492   1HG1  ILE  58          HG12      ILE  58   0.630  -3.661  -0.097
  493   2HG1  ILE  58          HG13      ILE  58  -0.231  -2.281  -0.766
  494   1HG2  ILE  58          HG21      ILE  58   2.761  -0.383  -0.698
  495   2HG2  ILE  58          HG22      ILE  58   1.050  -0.296  -1.121
  496   3HG2  ILE  58          HG23      ILE  58   1.616   0.374   0.410
  497   1HD1  ILE  58          HD11      ILE  58   2.064  -2.092  -2.142
  498   2HD1  ILE  58          HD12      ILE  58   2.014  -3.834  -1.869
  499   3HD1  ILE  58          HD13      ILE  58   0.672  -3.029  -2.685
  500    H    CYS  59           HN       CYS  59   4.811  -0.791   0.468
  501    HA   CYS  59           HA       CYS  59   5.566  -0.282   3.124
  502   1HB   CYS  59          HB2       CYS  59   5.975   1.645   0.843
  503   2HB   CYS  59          HB3       CYS  59   6.974   1.435   2.276
  504    H    SER  60           HN       SER  60   5.238   1.486   4.470
  505    HA   SER  60           HA       SER  60   2.666   2.710   4.337
  506   1HB   SER  60          HB2       SER  60   4.284   4.017   6.260
  507   2HB   SER  60          HB3       SER  60   3.068   2.768   6.538
  508    HG   SER  60           HG       SER  60   4.597   1.229   6.507
  509    H    ALA  61           HN       ALA  61   5.634   3.424   2.948
  510    HA   ALA  61           HA       ALA  61   5.487   6.292   3.035
  511   1HB   ALA  61          HB1       ALA  61   7.263   5.911   1.117
  512   2HB   ALA  61          HB2       ALA  61   7.667   5.645   2.813
  513   3HB   ALA  61          HB3       ALA  61   7.271   4.275   1.775
  514    H    HIS  62           HN       HIS  62   3.822   3.961   1.337
  515    HA   HIS  62           HA       HIS  62   3.515   5.483  -1.119
  516   1HB   HIS  62          HB2       HIS  62   2.230   2.910  -0.172
  517   2HB   HIS  62          HB3       HIS  62   1.953   3.635  -1.750
  518    HD1  HIS  62           HD1      HIS  62   4.255   3.843  -3.277
  519    HD2  HIS  62           HD2      HIS  62   4.271   1.173  -0.079
  520    HE1  HIS  62           HE1      HIS  62   6.197   2.246  -3.672
  521    H    PHE  63           HN       PHE  63   2.571   6.339   1.663
  522    HA   PHE  63           HA       PHE  63  -0.220   6.920   0.941
  523   1HB   PHE  63          HB2       PHE  63   0.779   6.094   3.679
  524   2HB   PHE  63          HB3       PHE  63  -0.861   6.619   3.310
  525    HD1  PHE  63           HD1      PHE  63   1.637   3.977   2.697
  526    HD2  PHE  63           HD2      PHE  63  -2.443   5.134   2.416
  527    HE1  PHE  63           HE1      PHE  63   1.024   1.664   2.150
  528    HE2  PHE  63           HE2      PHE  63  -3.063   2.820   1.868
  529    HZ   PHE  63           HZ       PHE  63  -1.328   1.084   1.732
  530    H    GLU  64           HN       GLU  64  -1.062   8.855   1.776
  531    HA   GLU  64           HA       GLU  64   0.781  10.992   2.044
  532   1HB   GLU  64          HB2       GLU  64  -1.952  10.719   1.537
  533   2HB   GLU  64          HB3       GLU  64  -1.871  11.596   3.058
  534   1HG   GLU  64          HG2       GLU  64  -0.221  13.138   1.895
  535   2HG   GLU  64          HG3       GLU  64  -0.741  12.373   0.394
  536    H    GLY  65           HN       GLY  65   2.104  10.883   3.776
  537   1HA   GLY  65          HA1       GLY  65   2.580  11.452   6.007
  538   2HA   GLY  65          HA2       GLY  65   0.886  11.202   6.408
  539    H    GLY  66           HN       GLY  66   1.398   8.607   4.680
  540   1HA   GLY  66          HA1       GLY  66   1.948   6.410   5.085
  541   2HA   GLY  66          HA2       GLY  66   3.019   6.974   6.360
  542    H    GLU  67           HN       GLU  67  -0.514   7.096   5.859
  543    HA   GLU  67           HA       GLU  67  -0.856   5.616   8.357
  544   1HB   GLU  67          HB2       GLU  67  -1.012   8.313   8.403
  545   2HB   GLU  67          HB3       GLU  67  -2.675   7.919   7.990
  546   1HG   GLU  67          HG2       GLU  67  -2.504   8.133  10.359
  547   2HG   GLU  67          HG3       GLU  67  -2.768   6.435   9.966
  548    H    LYS  68           HN       LYS  68  -1.757   3.850   7.419
  549    HA   LYS  68           HA       LYS  68  -3.922   4.050   5.518
  550   1HB   LYS  68          HB2       LYS  68  -2.442   2.136   5.403
  551   2HB   LYS  68          HB3       LYS  68  -2.786   1.718   7.074
  552   1HG   LYS  68          HG2       LYS  68  -5.241   1.506   6.227
  553   2HG   LYS  68          HG3       LYS  68  -4.475   1.348   4.645
  554   1HD   LYS  68          HD2       LYS  68  -4.876  -0.835   5.702
  555   2HD   LYS  68          HD3       LYS  68  -3.158  -0.533   5.443
  556   1HE   LYS  68          HE2       LYS  68  -3.277  -1.424   7.605
  557   2HE   LYS  68          HE3       LYS  68  -3.122   0.313   7.853
  558   1HZ   LYS  68          HZ1       LYS  68  -4.892   0.083   9.159
  559   2HZ   LYS  68          HZ2       LYS  68  -5.286  -1.449   8.549
  560   3HZ   LYS  68          HZ3       LYS  68  -5.806  -0.058   7.734
  561    H    LYS  69           HN       LYS  69  -5.406   5.362   6.649
  562    HA   LYS  69           HA       LYS  69  -7.007   3.884   8.595
  563   1HB   LYS  69          HB2       LYS  69  -5.270   5.978   9.330
  564   2HB   LYS  69          HB3       LYS  69  -6.896   6.643   9.394
  565   1HG   LYS  69          HG2       LYS  69  -7.423   5.475  11.218
  566   2HG   LYS  69          HG3       LYS  69  -6.667   4.001  10.609
  567   1HD   LYS  69          HD2       LYS  69  -4.610   4.526  11.499
  568   2HD   LYS  69          HD3       LYS  69  -4.936   6.261  11.496
  569   1HE   LYS  69          HE2       LYS  69  -4.966   5.589  13.760
  570   2HE   LYS  69          HE3       LYS  69  -6.649   5.820  13.292
  571   1HZ   LYS  69          HZ1       LYS  69  -6.241   3.784  14.602
  572   2HZ   LYS  69          HZ2       LYS  69  -5.280   3.185  13.340
  573   3HZ   LYS  69          HZ3       LYS  69  -6.935   3.474  13.086
  574    H    GLU  70           HN       GLU  70  -6.809   7.073   7.011
  575    HA   GLU  70           HA       GLU  70  -9.704   7.207   6.944
  576   1HB   GLU  70          HB2       GLU  70  -7.842   9.268   5.793
  577   2HB   GLU  70          HB3       GLU  70  -9.465   9.489   6.428
  578   1HG   GLU  70          HG2       GLU  70  -7.188   8.630   8.178
  579   2HG   GLU  70          HG3       GLU  70  -7.519  10.326   7.834
  580    H    GLY  71           HN       GLY  71  -8.975   5.154   5.383
  581   1HA   GLY  71          HA1       GLY  71  -9.465   4.267   3.322
  582   2HA   GLY  71          HA2       GLY  71 -10.197   5.811   2.917
  583    H    ASP  72           HN       ASP  72  -6.860   5.573   3.875
  584    HA   ASP  72           HA       ASP  72  -5.981   6.840   1.473
  585   1HB   ASP  72          HB2       ASP  72  -4.769   5.986   4.024
  586   2HB   ASP  72          HB3       ASP  72  -3.681   5.914   2.643
  587    H    ILE  73           HN       ILE  73  -5.225   5.975  -0.335
  588    HA   ILE  73           HA       ILE  73  -4.918   3.058  -0.492
  589    HB   ILE  73           HB       ILE  73  -5.500   5.168  -2.570
  590   1HG1  ILE  73          HG12      ILE  73  -7.002   2.635  -1.940
  591   2HG1  ILE  73          HG13      ILE  73  -7.316   4.156  -1.114
  592   1HG2  ILE  73          HG21      ILE  73  -3.893   3.016  -3.106
  593   2HG2  ILE  73          HG22      ILE  73  -5.494   2.419  -3.542
  594   3HG2  ILE  73          HG23      ILE  73  -4.867   3.889  -4.288
  595   1HD1  ILE  73          HD11      ILE  73  -7.818   5.187  -3.295
  596   2HD1  ILE  73          HD12      ILE  73  -7.612   3.605  -4.051
  597   3HD1  ILE  73          HD13      ILE  73  -8.900   3.859  -2.873
  598    HA   PRO  74           HA       PRO  74  -0.541   3.606  -0.909
  599   1HB   PRO  74          HB2       PRO  74   0.096   1.336  -2.262
  600   2HB   PRO  74          HB3       PRO  74  -0.312   1.351  -0.545
  601   1HG   PRO  74          HG2       PRO  74  -2.022   0.644  -2.892
  602   2HG   PRO  74          HG3       PRO  74  -1.902  -0.153  -1.311
  603   1HD   PRO  74          HD2       PRO  74  -3.916   1.547  -1.948
  604   2HD   PRO  74          HD3       PRO  74  -3.295   1.372  -0.297
  605    H    VAL  75           HN       VAL  75  -0.056   5.256  -2.268
  606    HA   VAL  75           HA       VAL  75  -0.459   4.893  -5.150
  607    HB   VAL  75           HB       VAL  75   0.077   7.281  -5.366
  608   1HG1  VAL  75          HG11      VAL  75  -1.858   7.578  -3.235
  609   2HG1  VAL  75          HG12      VAL  75  -2.070   7.760  -4.975
  610   3HG1  VAL  75          HG13      VAL  75  -2.206   6.166  -4.230
  611   1HG2  VAL  75          HG21      VAL  75   1.180   8.415  -3.805
  612   2HG2  VAL  75          HG22      VAL  75  -0.059   8.051  -2.605
  613   3HG2  VAL  75          HG23      VAL  75   1.284   6.936  -2.853
  614    HA   PRO  76           HA       PRO  76   3.713   4.009  -6.080
  615   1HB   PRO  76          HB2       PRO  76   4.387   5.798  -8.059
  616   2HB   PRO  76          HB3       PRO  76   3.434   4.334  -8.320
  617   1HG   PRO  76          HG2       PRO  76   2.524   7.160  -8.009
  618   2HG   PRO  76          HG3       PRO  76   1.911   5.893  -9.089
  619   1HD   PRO  76          HD2       PRO  76   0.637   6.604  -6.807
  620   2HD   PRO  76          HD3       PRO  76   0.614   4.940  -7.434
  621    H    ASP  77           HN       ASP  77   3.113   7.460  -5.806
  622    HA   ASP  77           HA       ASP  77   5.017   7.833  -3.741
  623   1HB   ASP  77          HB2       ASP  77   6.666   7.776  -5.520
  624   2HB   ASP  77          HB3       ASP  77   5.713   8.892  -6.492
  625    HA   PRO  78           HA       PRO  78   1.646  10.637  -3.268
  626   1HB   PRO  78          HB2       PRO  78   3.112  11.663  -0.937
  627   2HB   PRO  78          HB3       PRO  78   1.550  10.844  -1.010
  628   1HG   PRO  78          HG2       PRO  78   3.736   9.645  -0.008
  629   2HG   PRO  78          HG3       PRO  78   2.496   8.743  -0.897
  630   1HD   PRO  78          HD2       PRO  78   5.172   9.716  -1.830
  631   2HD   PRO  78          HD3       PRO  78   4.361   8.168  -2.151
  632    H    THR  79           HN       THR  79   4.772  11.568  -4.085
  633    HA   THR  79           HA       THR  79   4.003  14.408  -4.025
  634    HB   THR  79           HB       THR  79   6.666  14.528  -4.517
  635    HG1  THR  79           HG1      THR  79   6.560  12.083  -4.089
  636   1HG2  THR  79          HG21      THR  79   5.432  14.276  -1.776
  637   2HG2  THR  79          HG22      THR  79   5.357  15.723  -2.782
  638   3HG2  THR  79          HG23      THR  79   6.912  15.139  -2.191
  639    H    VAL  80           HN       VAL  80   4.115  11.866  -6.114
  640    HA   VAL  80           HA       VAL  80   4.473  13.731  -8.367
  641    HB   VAL  80           HB       VAL  80   5.056  11.788  -9.804
  642   1HG1  VAL  80          HG11      VAL  80   6.680  13.327  -8.369
  643   2HG1  VAL  80          HG12      VAL  80   7.120  11.760  -7.686
  644   3HG1  VAL  80          HG13      VAL  80   7.268  12.040  -9.422
  645   1HG2  VAL  80          HG21      VAL  80   5.775   9.703  -8.826
  646   2HG2  VAL  80          HG22      VAL  80   5.376  10.290  -7.210
  647   3HG2  VAL  80          HG23      VAL  80   4.095  10.021  -8.392
  648    H    ASP  81           HN       ASP  81   2.754  10.840  -7.243
  649    HA   ASP  81           HA       ASP  81   0.742  11.233  -9.323
  650   1HB   ASP  81          HB2       ASP  81   1.671   8.947  -8.911
  651   2HB   ASP  81          HB3       ASP  81   0.966   8.993  -7.297
  652    H    LYS  82           HN       LYS  82  -1.520  11.211  -8.760
  653    HA   LYS  82           HA       LYS  82  -2.075  12.905  -6.511
  654   1HB   LYS  82          HB2       LYS  82  -3.271  13.049  -8.713
  655   2HB   LYS  82          HB3       LYS  82  -4.033  11.506  -8.345
  656   1HG   LYS  82          HG2       LYS  82  -4.920  12.601  -6.244
  657   2HG   LYS  82          HG3       LYS  82  -4.387  14.135  -6.935
  658   1HD   LYS  82          HD2       LYS  82  -5.749  13.456  -8.998
  659   2HD   LYS  82          HD3       LYS  82  -6.486  12.240  -7.952
  660   1HE   LYS  82          HE2       LYS  82  -6.593  14.573  -6.459
  661   2HE   LYS  82          HE3       LYS  82  -6.958  15.100  -8.101
  662   1HZ   LYS  82          HZ1       LYS  82  -8.597  13.687  -6.278
  663   2HZ   LYS  82          HZ2       LYS  82  -8.411  12.783  -7.698
  664   3HZ   LYS  82          HZ3       LYS  82  -9.005  14.371  -7.775
  665    H    GLN  83           HN       GLN  83  -1.667  11.831  -4.649
  666    HA   GLN  83           HA       GLN  83  -2.119   9.363  -3.732
  667   1HB   GLN  83          HB2       GLN  83  -1.266  11.056  -2.267
  668   2HB   GLN  83          HB3       GLN  83  -2.762  11.972  -2.355
  669   1HG   GLN  83          HG2       GLN  83  -2.666  10.889  -0.236
  670   2HG   GLN  83          HG3       GLN  83  -3.912  10.097  -1.203
  671   1HE2  GLN  83          HE21      GLN  83  -3.917   8.000  -1.015
  672   2HE2  GLN  83          HE22      GLN  83  -2.541   6.980  -0.753
  673    H    ILE  84           HN       ILE  84  -3.758   7.984  -3.977
  674    HA   ILE  84           HA       ILE  84  -6.438   8.963  -4.364
  675    HB   ILE  84           HB       ILE  84  -5.857   6.042  -4.107
  676   1HG1  ILE  84          HG12      ILE  84  -5.648   6.924  -6.851
  677   2HG1  ILE  84          HG13      ILE  84  -4.399   7.690  -5.868
  678   1HG2  ILE  84          HG21      ILE  84  -8.017   7.689  -4.961
  679   2HG2  ILE  84          HG22      ILE  84  -7.473   6.712  -6.327
  680   3HG2  ILE  84          HG23      ILE  84  -7.952   5.930  -4.822
  681   1HD1  ILE  84          HD11      ILE  84  -3.460   5.630  -5.284
  682   2HD1  ILE  84          HD12      ILE  84  -4.887   4.734  -5.805
  683   3HD1  ILE  84          HD13      ILE  84  -3.837   5.493  -7.001
  684    H    LYS  85           HN       LYS  85  -8.033   8.982  -2.891
  685    HA   LYS  85           HA       LYS  85  -7.803   7.304  -0.505
  686   1HB   LYS  85          HB2       LYS  85  -7.756  10.240  -0.596
  687   2HB   LYS  85          HB3       LYS  85  -8.958   9.588   0.507
  688   1HG   LYS  85          HG2       LYS  85  -7.022   8.144   1.404
  689   2HG   LYS  85          HG3       LYS  85  -5.982   9.300   0.571
  690   1HD   LYS  85          HD2       LYS  85  -8.095  10.498   2.222
  691   2HD   LYS  85          HD3       LYS  85  -6.877   9.588   3.118
  692   1HE   LYS  85          HE2       LYS  85  -6.046  11.569   1.034
  693   2HE   LYS  85          HE3       LYS  85  -6.512  12.123   2.642
  694   1HZ   LYS  85          HZ1       LYS  85  -4.466  10.013   2.234
  695   2HZ   LYS  85          HZ2       LYS  85  -4.757  10.942   3.621
  696   3HZ   LYS  85          HZ3       LYS  85  -4.070  11.667   2.253
  697    H    ILE  86           HN       ILE  86  -9.735   6.442   0.143
  698    HA   ILE  86           HA       ILE  86 -12.139   7.347  -1.314
  699    HB   ILE  86           HB       ILE  86 -12.389   4.702  -0.127
  700   1HG1  ILE  86          HG12      ILE  86 -10.987   4.060  -2.442
  701   2HG1  ILE  86          HG13      ILE  86  -9.977   5.251  -1.630
  702   1HG2  ILE  86          HG21      ILE  86 -13.992   5.673  -1.669
  703   2HG2  ILE  86          HG22      ILE  86 -12.758   5.735  -2.929
  704   3HG2  ILE  86          HG23      ILE  86 -13.319   4.176  -2.318
  705   1HD1  ILE  86          HD11      ILE  86  -9.187   3.540  -0.455
  706   2HD1  ILE  86          HD12      ILE  86 -10.725   3.556   0.404
  707   3HD1  ILE  86          HD13      ILE  86 -10.493   2.475  -0.970
  708    H    GLU  87           HN       GLU  87 -14.117   7.369  -0.173
  709    HA   GLU  87           HA       GLU  87 -13.726   7.828   2.685
  710   1HB   GLU  87          HB2       GLU  87 -15.827   8.666   0.719
  711   2HB   GLU  87          HB3       GLU  87 -16.128   8.756   2.450
  712   1HG   GLU  87          HG2       GLU  87 -14.612  10.437   2.758
  713   2HG   GLU  87          HG3       GLU  87 -13.651   9.955   1.362
  714    H    LEU  88           HN       LEU  88 -13.791   5.889   3.638
  715    HA   LEU  88           HA       LEU  88 -16.130   4.170   3.266
  716   1HB   LEU  88          HB2       LEU  88 -14.940   2.488   4.346
  717   2HB   LEU  88          HB3       LEU  88 -13.684   3.338   3.474
  718    HG   LEU  88           HG       LEU  88 -14.116   4.286   6.227
  719   1HD1  LEU  88          HD11      LEU  88 -12.473   1.916   6.317
  720   2HD1  LEU  88          HD12      LEU  88 -13.817   2.394   7.352
  721   3HD1  LEU  88          HD13      LEU  88 -14.128   1.529   5.849
  722   1HD2  LEU  88          HD21      LEU  88 -11.934   4.842   6.078
  723   2HD2  LEU  88          HD22      LEU  88 -11.495   3.339   5.268
  724   3HD2  LEU  88          HD23      LEU  88 -12.220   4.658   4.347
  725    HA   PRO  89           HA       PRO  89 -18.322   5.293   7.056
  726   1HB   PRO  89          HB2       PRO  89 -17.207   2.798   8.284
  727   2HB   PRO  89          HB3       PRO  89 -18.856   3.434   8.332
  728   1HG   PRO  89          HG2       PRO  89 -18.195   1.427   6.692
  729   2HG   PRO  89          HG3       PRO  89 -19.360   2.673   6.209
  730   1HD   PRO  89          HD2       PRO  89 -16.578   2.238   5.298
  731   2HD   PRO  89          HD3       PRO  89 -17.928   3.030   4.467
  732    HA   PRO  90           HA       PRO  90 -15.402   7.884   9.033
  733   1HB   PRO  90          HB2       PRO  90 -16.986   7.104  11.458
  734   2HB   PRO  90          HB3       PRO  90 -16.401   8.700  10.971
  735   1HG   PRO  90          HG2       PRO  90 -18.928   7.978  10.519
  736   2HG   PRO  90          HG3       PRO  90 -18.029   8.951   9.342
  737   1HD   PRO  90          HD2       PRO  90 -18.882   6.129   9.183
  738   2HD   PRO  90          HD3       PRO  90 -18.470   7.258   7.880
  739    H    LYS  91           HN       LYS  91 -16.218   5.099  11.109
  740    HA   LYS  91           HA       LYS  91 -13.561   4.088  11.023
  741   1HB   LYS  91          HB2       LYS  91 -13.853   6.065  12.894
  742   2HB   LYS  91          HB3       LYS  91 -14.267   4.640  13.836
  743   1HG   LYS  91          HG2       LYS  91 -11.875   5.282  13.974
  744   2HG   LYS  91          HG3       LYS  91 -12.140   3.639  13.388
  745   1HD   LYS  91          HD2       LYS  91 -10.739   4.208  11.733
  746   2HD   LYS  91          HD3       LYS  91 -12.118   5.084  11.065
  747   1HE   LYS  91          HE2       LYS  91 -10.795   6.671  13.065
  748   2HE   LYS  91          HE3       LYS  91  -9.635   6.130  11.851
  749   1HZ   LYS  91          HZ1       LYS  91 -10.415   7.664  10.468
  750   2HZ   LYS  91          HZ2       LYS  91 -11.523   8.185  11.646
  751   3HZ   LYS  91          HZ3       LYS  91 -11.968   6.979  10.545